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 2ayi_1_E DATA FIRST_RESID 3 DATA SEQUENCE AFKRNLEKLA ELAIRVGLNL EKGQEVIATA PIEAVDFVRL LAEKAYREGA DATA SEQUENCE SLFTVIYGDQ ELARKRLALA PEEGLDKAPA WLYEGMARAF REGAARLAVS DATA SEQUENCE GSDPKALEGL PPEKVGRAQK ANARAYKPAL EAITEFVTNW TIVPFAHPGW DATA SEQUENCE ARAVFPGLPE EEAVRRLWEA IFQATXXXXX XPIAAWEAHN RALHEKVAYL DATA SEQUENCE NARRFHALHF KGPGTDLVVG LAEGHLWQGG ATATKGGRLC NPNLPTEEVF DATA SEQUENCE TAPHRERVEG VVRASRPLAL GGTLVEGIFA RFERGFAVEV RAEKGEEVLR DATA SEQUENCE RLLDTDEGAR RLGEVALVPA DNPIAKTGLV FFDTLFDENA ASHIAFGQAY DATA SEQUENCE QENLEGXXXG EAFRKRGGNE SLVHVDWMIG SEEMDVDGLY EDGTRTPLMR DATA SEQUENCE RGRWVV 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 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.563 177.584 -0.035 0.000 1.274 3 A CA 0.000 52.028 52.037 -0.015 0.000 0.836 3 A CB 0.000 19.032 19.000 0.053 0.000 0.831 4 F N 1.293 121.138 119.950 -0.175 0.000 2.582 4 F HA 0.417 4.944 4.527 -0.001 0.000 0.290 4 F C 1.469 177.039 175.800 -0.384 0.000 1.115 4 F CA 1.661 59.460 58.000 -0.335 0.000 1.445 4 F CB 0.068 38.857 39.000 -0.353 0.000 1.126 4 F HN 0.176 nan 8.300 nan 0.000 0.574 5 K N 0.765 120.636 120.400 -0.882 0.000 2.209 5 K HA -0.080 4.240 4.320 -0.001 0.000 0.204 5 K C 1.982 178.302 176.600 -0.468 0.000 1.048 5 K CA 1.022 56.806 56.287 -0.838 0.000 0.940 5 K CB -0.053 32.140 32.500 -0.511 0.000 0.729 5 K HN 0.293 nan 8.250 nan 0.000 0.451 6 R N 0.021 120.322 120.500 -0.332 0.000 2.235 6 R HA 0.005 4.345 4.340 -0.001 0.000 0.213 6 R C 1.558 177.730 176.300 -0.213 0.000 1.059 6 R CA 0.668 56.642 56.100 -0.210 0.000 0.997 6 R CB 0.002 30.219 30.300 -0.138 0.000 0.884 6 R HN 0.250 nan 8.270 nan 0.000 0.462 7 N N 0.549 119.044 118.700 -0.342 0.000 2.322 7 N HA -0.083 4.656 4.740 -0.001 0.000 0.186 7 N C 1.690 177.071 175.510 -0.215 0.000 1.037 7 N CA 0.375 53.192 53.050 -0.389 0.000 0.869 7 N CB -0.361 37.581 38.487 -0.909 0.000 1.036 7 N HN 0.037 nan 8.380 nan 0.000 0.439 8 L N 2.659 123.720 121.223 -0.269 0.000 2.085 8 L HA -0.221 4.118 4.340 -0.001 0.000 0.218 8 L C 2.075 179.013 176.870 0.115 0.000 1.080 8 L CA 1.849 56.804 54.840 0.192 0.000 0.776 8 L CB -0.917 41.063 42.059 -0.131 0.000 0.891 8 L HN 0.333 nan 8.230 nan 0.000 0.437 9 E N -0.485 119.679 120.200 -0.061 0.000 2.017 9 E HA -0.286 4.063 4.350 -0.001 0.000 0.193 9 E C 2.123 178.724 176.600 0.001 0.000 0.997 9 E CA 1.416 57.782 56.400 -0.057 0.000 0.804 9 E CB 0.069 29.709 29.700 -0.100 0.000 0.757 9 E HN 0.261 nan 8.360 nan 0.000 0.448 10 K N 0.664 121.073 120.400 0.014 0.000 2.044 10 K HA -0.194 4.125 4.320 -0.001 0.000 0.210 10 K C 2.044 178.709 176.600 0.108 0.000 1.049 10 K CA 1.169 57.486 56.287 0.050 0.000 0.927 10 K CB -0.759 31.775 32.500 0.057 0.000 0.713 10 K HN 0.136 nan 8.250 nan 0.000 0.443 11 L N 0.532 121.889 121.223 0.224 0.000 1.951 11 L HA -0.248 4.092 4.340 -0.001 0.000 0.222 11 L C 1.995 178.976 176.870 0.185 0.000 1.078 11 L CA 2.613 57.636 54.840 0.306 0.000 0.778 11 L CB -1.374 41.020 42.059 0.557 0.000 0.893 11 L HN 0.209 nan 8.230 nan 0.000 0.436 12 A N -0.733 122.176 122.820 0.148 0.000 1.869 12 A HA -0.356 3.964 4.320 -0.001 0.000 0.218 12 A C 2.323 179.871 177.584 -0.060 0.000 1.203 12 A CA 2.271 54.276 52.037 -0.054 0.000 0.638 12 A CB -1.174 17.695 19.000 -0.219 0.000 0.831 12 A HN 0.715 nan 8.150 nan 0.000 0.450 13 E N -0.437 119.737 120.200 -0.043 0.000 2.086 13 E HA -0.261 4.089 4.350 -0.001 0.000 0.200 13 E C 1.980 178.553 176.600 -0.045 0.000 1.012 13 E CA 1.625 57.999 56.400 -0.044 0.000 0.812 13 E CB -0.274 29.411 29.700 -0.026 0.000 0.743 13 E HN 0.645 nan 8.360 nan 0.000 0.453 14 L N 0.150 121.349 121.223 -0.039 0.000 2.017 14 L HA -0.137 4.203 4.340 -0.001 0.000 0.208 14 L C 2.496 179.279 176.870 -0.146 0.000 1.073 14 L CA 1.621 56.399 54.840 -0.104 0.000 0.745 14 L CB -0.501 41.484 42.059 -0.124 0.000 0.894 14 L HN 0.231 nan 8.230 nan 0.000 0.432 15 A N -0.026 122.741 122.820 -0.088 0.000 2.054 15 A HA -0.274 4.046 4.320 -0.001 0.000 0.223 15 A C 1.919 179.459 177.584 -0.073 0.000 1.169 15 A CA 2.488 54.483 52.037 -0.070 0.000 0.655 15 A CB -0.688 18.317 19.000 0.009 0.000 0.812 15 A HN 0.555 nan 8.150 nan 0.000 0.462 16 I N -2.049 118.482 120.570 -0.064 0.000 2.681 16 I HA 0.088 4.258 4.170 -0.001 0.000 0.247 16 I C 2.303 178.390 176.117 -0.050 0.000 1.091 16 I CA 0.871 62.146 61.300 -0.043 0.000 1.442 16 I CB -0.469 37.514 38.000 -0.028 0.000 1.219 16 I HN 0.119 nan 8.210 nan 0.000 0.451 17 R N -0.156 120.312 120.500 -0.054 0.000 2.285 17 R HA -0.022 4.317 4.340 -0.001 0.000 0.213 17 R C 1.293 177.561 176.300 -0.054 0.000 1.068 17 R CA 0.931 57.007 56.100 -0.040 0.000 1.004 17 R CB 0.182 30.467 30.300 -0.026 0.000 0.873 17 R HN 0.250 nan 8.270 nan 0.000 0.467 18 V N -3.233 116.614 119.914 -0.112 0.000 3.103 18 V HA 0.142 4.261 4.120 -0.001 0.000 0.229 18 V C 1.946 177.930 176.094 -0.185 0.000 1.304 18 V CA 0.847 63.059 62.300 -0.147 0.000 1.298 18 V CB -0.049 31.605 31.823 -0.282 0.000 1.093 18 V HN 0.341 nan 8.190 nan 0.000 0.489 19 G N 0.802 109.459 108.800 -0.238 0.000 2.480 19 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.216 19 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.216 19 G C 1.452 176.280 174.900 -0.120 0.000 1.200 19 G CA 1.384 46.366 45.100 -0.196 0.000 0.782 19 G HN 0.417 nan 8.290 nan 0.000 0.554 20 L N -0.911 120.266 121.223 -0.077 0.000 2.298 20 L HA 0.225 4.564 4.340 -0.001 0.000 0.209 20 L C 1.346 178.196 176.870 -0.034 0.000 1.084 20 L CA 0.573 55.388 54.840 -0.043 0.000 0.816 20 L CB -0.205 41.848 42.059 -0.009 0.000 0.967 20 L HN 0.356 nan 8.230 nan 0.000 0.460 21 N N 0.557 119.235 118.700 -0.036 0.000 2.754 21 N HA -0.218 4.521 4.740 -0.001 0.000 0.248 21 N C -0.217 175.290 175.510 -0.004 0.000 1.093 21 N CA 0.094 53.132 53.050 -0.020 0.000 0.699 21 N CB -1.283 37.192 38.487 -0.020 0.000 1.016 21 N HN 0.119 nan 8.380 nan 0.000 0.552 22 L N 1.082 122.305 121.223 0.000 0.000 2.706 22 L HA 0.009 4.349 4.340 -0.001 0.000 0.282 22 L C 0.766 177.649 176.870 0.021 0.000 1.219 22 L CA 1.110 55.959 54.840 0.015 0.000 0.935 22 L CB 0.051 42.121 42.059 0.020 0.000 1.204 22 L HN 0.272 nan 8.230 nan 0.000 0.491 23 E N 4.674 124.889 120.200 0.026 0.000 2.266 23 E HA 0.218 4.567 4.350 -0.001 0.000 0.277 23 E C -0.372 176.251 176.600 0.037 0.000 1.018 23 E CA -0.909 55.508 56.400 0.028 0.000 0.840 23 E CB 0.765 30.481 29.700 0.027 0.000 1.082 23 E HN 0.615 nan 8.360 nan 0.000 0.395 24 K N 2.284 122.706 120.400 0.037 0.000 2.550 24 K HA 0.036 4.356 4.320 -0.001 0.000 0.280 24 K C 0.619 177.249 176.600 0.050 0.000 0.987 24 K CA 0.574 56.888 56.287 0.045 0.000 1.048 24 K CB 0.082 32.605 32.500 0.038 0.000 0.879 24 K HN 0.711 nan 8.250 nan 0.000 0.491 25 G N 1.391 110.229 108.800 0.064 0.000 2.147 25 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.244 25 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.244 25 G C -0.261 174.678 174.900 0.065 0.000 1.005 25 G CA 0.552 45.691 45.100 0.065 0.000 0.713 25 G HN 0.801 nan 8.290 nan 0.000 0.515 26 Q N -0.011 119.830 119.800 0.068 0.000 2.293 26 Q HA 0.535 4.875 4.340 -0.001 0.000 0.261 26 Q C 0.377 176.418 176.000 0.068 0.000 0.960 26 Q CA -0.694 55.147 55.803 0.062 0.000 0.882 26 Q CB 0.923 29.693 28.738 0.053 0.000 1.275 26 Q HN 0.503 nan 8.270 nan 0.000 0.445 27 E N 1.926 122.164 120.200 0.064 0.000 2.392 27 E HA 0.242 4.591 4.350 -0.001 0.000 0.256 27 E C -1.297 175.313 176.600 0.017 0.000 1.145 27 E CA -0.347 56.084 56.400 0.053 0.000 0.929 27 E CB 0.915 30.645 29.700 0.050 0.000 0.998 27 E HN 0.395 nan 8.360 nan 0.000 0.442 28 V N 5.172 125.053 119.914 -0.056 0.000 2.439 28 V HA 0.259 4.379 4.120 -0.001 0.000 0.277 28 V C -0.175 175.734 176.094 -0.308 0.000 1.008 28 V CA -0.499 61.705 62.300 -0.159 0.000 0.846 28 V CB 0.794 32.487 31.823 -0.217 0.000 1.031 28 V HN 0.601 nan 8.190 nan 0.000 0.441 29 I N 3.712 124.206 120.570 -0.126 0.000 2.519 29 I HA 0.673 4.843 4.170 -0.001 0.000 0.287 29 I C 0.575 176.586 176.117 -0.176 0.000 1.047 29 I CA 0.093 61.317 61.300 -0.127 0.000 1.381 29 I CB 1.517 39.558 38.000 0.069 0.000 1.417 29 I HN 0.663 nan 8.210 nan 0.000 0.540 30 A N 4.386 127.053 122.820 -0.255 0.000 2.422 30 A HA 0.705 5.025 4.320 -0.001 0.000 0.302 30 A C -0.542 176.994 177.584 -0.081 0.000 1.041 30 A CA -0.504 51.426 52.037 -0.179 0.000 0.708 30 A CB 1.504 20.312 19.000 -0.320 0.000 1.257 30 A HN 0.621 nan 8.150 nan 0.000 0.414 31 T N 1.202 115.760 114.554 0.006 0.000 2.867 31 T HA 0.800 5.149 4.350 -0.001 0.000 0.282 31 T C 0.028 174.773 174.700 0.074 0.000 1.000 31 T CA 0.320 62.434 62.100 0.024 0.000 1.042 31 T CB 1.485 70.370 68.868 0.029 0.000 0.973 31 T HN 1.798 nan 8.240 nan 0.000 0.465 32 A N 3.697 126.587 122.820 0.117 0.000 2.586 32 A HA 0.755 5.074 4.320 -0.001 0.000 0.291 32 A C -3.259 174.462 177.584 0.228 0.000 1.062 32 A CA -1.596 50.558 52.037 0.196 0.000 0.666 32 A CB 0.981 20.171 19.000 0.316 0.000 1.281 32 A HN 0.537 nan 8.150 nan 0.000 0.421 33 P HA 0.360 nan 4.420 nan 0.000 0.293 33 P C 0.835 178.158 177.300 0.038 0.000 1.313 33 P CA -0.346 62.790 63.100 0.060 0.000 0.787 33 P CB 0.800 32.454 31.700 -0.077 0.000 0.910 34 I N 2.947 123.521 120.570 0.007 0.000 2.707 34 I HA -0.277 3.892 4.170 -0.001 0.000 0.266 34 I C 0.974 176.992 176.117 -0.166 0.000 1.215 34 I CA 1.528 62.717 61.300 -0.184 0.000 1.442 34 I CB 0.123 38.098 38.000 -0.041 0.000 1.108 34 I HN 0.410 nan 8.210 nan 0.000 0.464 35 E N 0.225 120.408 120.200 -0.029 0.000 2.463 35 E HA 0.177 4.527 4.350 -0.001 0.000 0.193 35 E C 0.873 177.504 176.600 0.051 0.000 1.041 35 E CA 0.467 56.885 56.400 0.031 0.000 0.879 35 E CB 0.456 30.239 29.700 0.138 0.000 0.997 35 E HN 0.479 nan 8.360 nan 0.000 0.478 36 A N 1.110 123.945 122.820 0.024 0.000 2.643 36 A HA 0.340 4.660 4.320 -0.001 0.000 0.295 36 A C 1.560 179.202 177.584 0.096 0.000 1.065 36 A CA -0.330 51.763 52.037 0.093 0.000 0.986 36 A CB -0.085 19.000 19.000 0.141 0.000 1.212 36 A HN 0.046 nan 8.150 nan 0.000 0.516 37 V N 0.591 120.478 119.914 -0.045 0.000 2.231 37 V HA -0.348 3.772 4.120 -0.001 0.000 0.250 37 V C 2.206 178.345 176.094 0.075 0.000 1.058 37 V CA 2.560 64.830 62.300 -0.051 0.000 1.022 37 V CB -0.685 31.058 31.823 -0.133 0.000 0.640 37 V HN 0.620 nan 8.190 nan 0.000 0.445 38 D N -0.841 119.595 120.400 0.060 0.000 2.191 38 D HA -0.245 4.394 4.640 -0.001 0.000 0.195 38 D C 1.881 178.234 176.300 0.088 0.000 1.003 38 D CA 1.872 55.908 54.000 0.060 0.000 0.867 38 D CB -0.252 40.582 40.800 0.057 0.000 0.926 38 D HN 0.506 nan 8.370 nan 0.000 0.450 39 F N 1.431 121.356 119.950 -0.043 0.000 2.098 39 F HA -0.158 4.368 4.527 -0.001 0.000 0.294 39 F C 2.365 178.162 175.800 -0.005 0.000 1.107 39 F CA 0.601 58.567 58.000 -0.058 0.000 1.234 39 F CB -0.604 38.368 39.000 -0.046 0.000 1.002 39 F HN -0.244 nan 8.300 nan 0.000 0.472 40 V N 1.255 121.254 119.914 0.142 0.000 2.233 40 V HA -0.435 3.685 4.120 -0.001 0.000 0.252 40 V C 2.527 178.529 176.094 -0.153 0.000 1.063 40 V CA 2.557 64.921 62.300 0.107 0.000 1.032 40 V CB -1.004 31.036 31.823 0.360 0.000 0.645 40 V HN 0.297 nan 8.190 nan 0.000 0.446 41 R N -0.742 119.702 120.500 -0.093 0.000 2.094 41 R HA -0.184 4.155 4.340 -0.001 0.000 0.239 41 R C 2.340 178.475 176.300 -0.274 0.000 1.137 41 R CA 1.752 57.748 56.100 -0.174 0.000 0.943 41 R CB -0.732 29.529 30.300 -0.066 0.000 0.850 41 R HN 0.321 nan 8.270 nan 0.000 0.433 42 L N 1.374 122.448 121.223 -0.249 0.000 2.021 42 L HA -0.237 4.102 4.340 -0.001 0.000 0.215 42 L C 2.097 178.742 176.870 -0.374 0.000 1.074 42 L CA 1.821 56.490 54.840 -0.285 0.000 0.760 42 L CB -0.953 40.922 42.059 -0.308 0.000 0.889 42 L HN 0.277 nan 8.230 nan 0.000 0.433 43 L N -1.043 119.877 121.223 -0.505 0.000 1.961 43 L HA -0.201 4.138 4.340 -0.001 0.000 0.210 43 L C 2.751 179.286 176.870 -0.558 0.000 1.072 43 L CA 1.381 55.943 54.840 -0.463 0.000 0.749 43 L CB -1.013 40.826 42.059 -0.366 0.000 0.889 43 L HN 0.291 nan 8.230 nan 0.000 0.432 44 A N 0.255 122.440 122.820 -1.058 0.000 1.882 44 A HA -0.402 3.918 4.320 -0.001 0.000 0.220 44 A C 2.210 179.421 177.584 -0.623 0.000 1.253 44 A CA 2.656 53.791 52.037 -1.503 0.000 0.664 44 A CB -1.121 17.060 19.000 -1.366 0.000 0.838 44 A HN 0.590 nan 8.150 nan 0.000 0.460 45 E N -0.770 119.228 120.200 -0.336 0.000 2.095 45 E HA -0.321 4.029 4.350 -0.001 0.000 0.212 45 E C 1.880 178.426 176.600 -0.091 0.000 1.044 45 E CA 1.948 58.280 56.400 -0.113 0.000 0.857 45 E CB -0.161 29.471 29.700 -0.115 0.000 0.764 45 E HN 0.456 nan 8.360 nan 0.000 0.462 46 K N -0.077 120.231 120.400 -0.154 0.000 2.211 46 K HA -0.070 4.250 4.320 -0.001 0.000 0.203 46 K C 2.001 178.552 176.600 -0.082 0.000 1.050 46 K CA 0.934 57.160 56.287 -0.103 0.000 0.945 46 K CB -0.377 32.051 32.500 -0.119 0.000 0.732 46 K HN 0.287 nan 8.250 nan 0.000 0.451 47 A N 0.618 123.346 122.820 -0.153 0.000 1.858 47 A HA -0.178 4.142 4.320 -0.001 0.000 0.216 47 A C 2.009 179.570 177.584 -0.040 0.000 1.190 47 A CA 1.328 53.307 52.037 -0.098 0.000 0.617 47 A CB -0.768 18.171 19.000 -0.102 0.000 0.827 47 A HN 0.207 nan 8.150 nan 0.000 0.443 48 Y N -0.339 119.956 120.300 -0.008 0.000 2.200 48 Y HA -0.080 4.469 4.550 -0.001 0.000 0.290 48 Y C 2.498 178.392 175.900 -0.010 0.000 1.137 48 Y CA 1.255 59.356 58.100 0.002 0.000 1.163 48 Y CB -0.496 37.954 38.460 -0.018 0.000 0.988 48 Y HN 0.216 nan 8.280 nan 0.000 0.518 49 R N 0.121 120.697 120.500 0.126 0.000 2.303 49 R HA -0.138 4.202 4.340 -0.001 0.000 0.225 49 R C 1.217 177.546 176.300 0.047 0.000 1.114 49 R CA 1.024 57.160 56.100 0.060 0.000 1.007 49 R CB -0.012 30.299 30.300 0.019 0.000 0.861 49 R HN 0.312 nan 8.270 nan 0.000 0.471 50 E N -1.582 118.649 120.200 0.052 0.000 2.476 50 E HA 0.102 4.452 4.350 -0.001 0.000 0.199 50 E C 1.084 177.717 176.600 0.054 0.000 1.021 50 E CA 0.612 57.035 56.400 0.039 0.000 0.907 50 E CB 1.480 31.193 29.700 0.021 0.000 0.974 50 E HN 0.496 nan 8.360 nan 0.000 0.489 51 G N 0.894 109.746 108.800 0.087 0.000 2.624 51 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.190 51 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.190 51 G C 0.569 175.551 174.900 0.137 0.000 1.008 51 G CA -0.187 44.968 45.100 0.092 0.000 0.731 51 G HN 0.406 nan 8.290 nan 0.000 0.478 52 A N 1.072 123.985 122.820 0.155 0.000 2.600 52 A HA 0.438 4.757 4.320 -0.001 0.000 0.244 52 A C 1.634 179.428 177.584 0.350 0.000 1.016 52 A CA 1.772 53.921 52.037 0.186 0.000 0.778 52 A CB 0.121 19.155 19.000 0.057 0.000 0.920 52 A HN 1.763 nan 8.150 nan 0.000 0.513 53 S N 1.221 117.074 115.700 0.256 0.000 2.535 53 S HA 0.427 4.896 4.470 -0.001 0.000 0.214 53 S C -0.000 174.796 174.600 0.327 0.000 0.980 53 S CA 0.451 58.797 58.200 0.243 0.000 0.907 53 S CB -0.110 63.169 63.200 0.131 0.000 0.790 53 S HN 1.660 nan 8.310 nan 0.000 0.510 54 L N 0.094 121.563 121.223 0.411 0.000 3.111 54 L HA 0.480 4.820 4.340 -0.001 0.000 0.259 54 L C -2.234 174.756 176.870 0.200 0.000 0.946 54 L CA -0.616 54.454 54.840 0.384 0.000 1.119 54 L CB 0.877 43.051 42.059 0.193 0.000 1.698 54 L HN 0.191 nan 8.230 nan 0.000 0.540 55 F N 4.279 124.234 119.950 0.008 0.000 2.313 55 F HA 0.672 5.199 4.527 -0.001 0.000 0.369 55 F C 0.012 175.793 175.800 -0.033 0.000 1.109 55 F CA 0.033 57.934 58.000 -0.165 0.000 1.132 55 F CB 1.048 39.785 39.000 -0.439 0.000 1.291 55 F HN 0.547 nan 8.300 nan 0.000 0.496 56 T N 5.810 120.251 114.554 -0.189 0.000 2.758 56 T HA 0.528 4.877 4.350 -0.001 0.000 0.285 56 T C -0.478 174.078 174.700 -0.241 0.000 0.981 56 T CA -0.666 61.366 62.100 -0.113 0.000 0.965 56 T CB 1.032 69.852 68.868 -0.080 0.000 0.927 56 T HN 0.398 nan 8.240 nan 0.000 0.448 57 V N 1.457 121.254 119.914 -0.196 0.000 2.628 57 V HA 0.709 4.828 4.120 -0.001 0.000 0.306 57 V C -0.534 175.309 176.094 -0.418 0.000 1.045 57 V CA -1.100 61.006 62.300 -0.323 0.000 0.905 57 V CB 1.456 33.064 31.823 -0.359 0.000 0.997 57 V HN 0.855 nan 8.190 nan 0.000 0.436 58 I N 5.044 125.418 120.570 -0.327 0.000 2.359 58 I HA 0.408 4.578 4.170 -0.001 0.000 0.284 58 I C -0.967 175.045 176.117 -0.176 0.000 1.018 58 I CA -0.467 60.692 61.300 -0.234 0.000 1.173 58 I CB 1.148 39.079 38.000 -0.115 0.000 1.326 58 I HN 0.634 nan 8.210 nan 0.000 0.462 59 Y N 3.868 124.189 120.300 0.036 0.000 2.319 59 Y HA 0.456 5.005 4.550 -0.001 0.000 0.328 59 Y C 1.057 176.968 175.900 0.019 0.000 1.133 59 Y CA -0.851 57.270 58.100 0.036 0.000 1.265 59 Y CB 1.145 39.636 38.460 0.050 0.000 1.218 59 Y HN 0.516 nan 8.280 nan 0.000 0.508 60 G N 2.744 111.657 108.800 0.187 0.000 2.588 60 G HA2 0.280 4.239 3.960 -0.001 0.000 0.312 60 G HA3 0.280 4.239 3.960 -0.001 0.000 0.312 60 G C -1.374 173.568 174.900 0.071 0.000 1.257 60 G CA -0.544 44.609 45.100 0.089 0.000 0.994 60 G HN 0.517 nan 8.290 nan 0.000 0.498 61 D N 1.761 122.201 120.400 0.067 0.000 2.225 61 D HA 0.182 4.821 4.640 -0.001 0.000 0.248 61 D C 1.206 177.530 176.300 0.040 0.000 1.096 61 D CA -0.363 53.669 54.000 0.053 0.000 0.863 61 D CB 1.830 42.663 40.800 0.054 0.000 1.156 61 D HN 0.414 nan 8.370 nan 0.000 0.450 62 Q N 1.937 121.762 119.800 0.042 0.000 2.163 62 Q HA -0.049 4.290 4.340 -0.001 0.000 0.198 62 Q C 1.298 177.319 176.000 0.036 0.000 0.954 62 Q CA 0.405 56.229 55.803 0.036 0.000 0.851 62 Q CB 0.384 29.150 28.738 0.048 0.000 0.928 62 Q HN 0.514 nan 8.270 nan 0.000 0.459 63 E N 1.177 121.401 120.200 0.040 0.000 2.160 63 E HA -0.160 4.190 4.350 -0.001 0.000 0.195 63 E C 1.903 178.520 176.600 0.029 0.000 0.991 63 E CA 0.841 57.260 56.400 0.032 0.000 0.810 63 E CB -0.023 29.695 29.700 0.030 0.000 0.742 63 E HN 0.373 nan 8.360 nan 0.000 0.466 64 L N -0.158 121.084 121.223 0.032 0.000 2.017 64 L HA -0.181 4.158 4.340 -0.001 0.000 0.208 64 L C 2.500 179.387 176.870 0.027 0.000 1.073 64 L CA 1.325 56.184 54.840 0.031 0.000 0.745 64 L CB -0.380 41.701 42.059 0.038 0.000 0.894 64 L HN 0.072 nan 8.230 nan 0.000 0.432 65 A N -0.344 122.492 122.820 0.026 0.000 1.929 65 A HA -0.219 4.100 4.320 -0.001 0.000 0.216 65 A C 2.319 179.915 177.584 0.020 0.000 1.176 65 A CA 1.462 53.511 52.037 0.021 0.000 0.628 65 A CB -0.485 18.525 19.000 0.017 0.000 0.816 65 A HN 0.311 nan 8.150 nan 0.000 0.444 66 R N 0.089 120.602 120.500 0.021 0.000 2.091 66 R HA -0.134 4.206 4.340 -0.001 0.000 0.238 66 R C 1.938 178.248 176.300 0.017 0.000 1.136 66 R CA 2.038 58.150 56.100 0.019 0.000 0.959 66 R CB -0.220 30.093 30.300 0.021 0.000 0.856 66 R HN 0.470 nan 8.270 nan 0.000 0.437 67 K N -0.473 119.938 120.400 0.018 0.000 2.366 67 K HA -0.089 4.231 4.320 -0.001 0.000 0.198 67 K C 2.067 178.677 176.600 0.017 0.000 1.044 67 K CA 0.660 56.957 56.287 0.017 0.000 0.973 67 K CB 0.029 32.540 32.500 0.018 0.000 0.767 67 K HN 0.163 nan 8.250 nan 0.000 0.475 68 R N 1.332 121.843 120.500 0.018 0.000 2.070 68 R HA -0.082 4.257 4.340 -0.001 0.000 0.227 68 R C 2.137 178.446 176.300 0.016 0.000 1.147 68 R CA 1.164 57.275 56.100 0.019 0.000 0.924 68 R CB -0.411 29.902 30.300 0.021 0.000 0.827 68 R HN 0.048 nan 8.270 nan 0.000 0.431 69 L N 0.694 121.926 121.223 0.015 0.000 2.051 69 L HA -0.224 4.115 4.340 -0.001 0.000 0.214 69 L C 2.679 179.556 176.870 0.011 0.000 1.076 69 L CA 1.681 56.528 54.840 0.013 0.000 0.758 69 L CB -0.573 41.493 42.059 0.012 0.000 0.890 69 L HN 0.414 nan 8.230 nan 0.000 0.433 70 A N -1.087 121.739 122.820 0.011 0.000 2.119 70 A HA 0.084 4.403 4.320 -0.001 0.000 0.216 70 A C 2.065 179.654 177.584 0.009 0.000 1.152 70 A CA 1.033 53.076 52.037 0.009 0.000 0.708 70 A CB -0.123 18.882 19.000 0.009 0.000 0.805 70 A HN 0.435 nan 8.150 nan 0.000 0.460 71 L N -2.124 119.106 121.223 0.011 0.000 2.766 71 L HA 0.331 4.671 4.340 -0.001 0.000 0.241 71 L C 1.255 178.132 176.870 0.011 0.000 1.080 71 L CA 0.143 54.989 54.840 0.010 0.000 0.909 71 L CB -0.008 42.058 42.059 0.011 0.000 1.277 71 L HN 0.243 nan 8.230 nan 0.000 0.510 72 A N 2.032 124.860 122.820 0.013 0.000 2.466 72 A HA 0.375 4.694 4.320 -0.001 0.000 0.238 72 A C -2.124 175.467 177.584 0.012 0.000 1.074 72 A CA -0.596 51.449 52.037 0.014 0.000 0.774 72 A CB -0.664 18.346 19.000 0.017 0.000 1.015 72 A HN 0.005 nan 8.150 nan 0.000 0.498 73 P HA 0.218 nan 4.420 nan 0.000 0.279 73 P C -0.325 176.982 177.300 0.011 0.000 1.239 73 P CA -0.267 62.839 63.100 0.011 0.000 0.789 73 P CB 0.795 32.502 31.700 0.010 0.000 0.933 74 E N 1.081 121.287 120.200 0.010 0.000 2.428 74 E HA -0.066 4.284 4.350 -0.001 0.000 0.257 74 E C 0.294 176.900 176.600 0.010 0.000 1.197 74 E CA 0.058 56.463 56.400 0.010 0.000 0.974 74 E CB 0.053 29.758 29.700 0.008 0.000 0.976 74 E HN 0.469 nan 8.360 nan 0.000 0.463 75 E N -1.105 119.102 120.200 0.010 0.000 3.065 75 E HA -0.285 4.065 4.350 -0.001 0.000 0.277 75 E C 0.622 177.230 176.600 0.013 0.000 1.008 75 E CA 0.459 56.866 56.400 0.011 0.000 0.864 75 E CB -1.127 28.579 29.700 0.009 0.000 1.439 75 E HN 0.746 nan 8.360 nan 0.000 0.445 76 G N -1.062 107.747 108.800 0.015 0.000 2.801 76 G HA2 0.203 4.162 3.960 -0.001 0.000 0.213 76 G HA3 0.203 4.162 3.960 -0.001 0.000 0.213 76 G C 0.987 175.900 174.900 0.021 0.000 1.052 76 G CA -0.187 44.924 45.100 0.018 0.000 0.868 76 G HN 0.046 nan 8.290 nan 0.000 0.589 77 L N 1.399 122.634 121.223 0.019 0.000 2.275 77 L HA 0.109 4.449 4.340 -0.001 0.000 0.215 77 L C 1.497 178.382 176.870 0.024 0.000 1.119 77 L CA 1.057 55.910 54.840 0.021 0.000 0.790 77 L CB -0.446 41.623 42.059 0.017 0.000 0.919 77 L HN 0.042 nan 8.230 nan 0.000 0.443 78 D N -0.494 119.919 120.400 0.023 0.000 2.420 78 D HA -0.108 4.532 4.640 -0.001 0.000 0.233 78 D C 0.652 176.972 176.300 0.033 0.000 1.017 78 D CA 0.727 54.742 54.000 0.025 0.000 0.951 78 D CB -0.076 40.737 40.800 0.021 0.000 0.877 78 D HN 0.067 nan 8.370 nan 0.000 0.528 79 K N 0.711 121.133 120.400 0.037 0.000 2.174 79 K HA 0.654 4.973 4.320 -0.001 0.000 0.275 79 K C -0.348 176.283 176.600 0.052 0.000 1.015 79 K CA -0.432 55.884 56.287 0.048 0.000 0.933 79 K CB 1.780 34.312 32.500 0.053 0.000 1.025 79 K HN -0.020 nan 8.250 nan 0.000 0.463 80 A N 3.579 126.434 122.820 0.058 0.000 2.498 80 A HA 0.571 4.890 4.320 -0.001 0.000 0.298 80 A C -2.491 175.081 177.584 -0.021 0.000 1.075 80 A CA -1.415 50.653 52.037 0.053 0.000 0.714 80 A CB 1.331 20.386 19.000 0.090 0.000 1.299 80 A HN 0.376 nan 8.150 nan 0.000 0.407 81 P HA 0.280 nan 4.420 nan 0.000 0.225 81 P C 0.962 177.764 177.300 -0.829 0.000 1.768 81 P CA 0.522 63.189 63.100 -0.721 0.000 0.943 81 P CB 0.338 31.417 31.700 -1.035 0.000 1.936 82 A N 1.742 124.378 122.820 -0.306 0.000 1.859 82 A HA -0.195 4.124 4.320 -0.001 0.000 0.217 82 A C 1.997 179.461 177.584 -0.199 0.000 1.198 82 A CA 1.696 53.672 52.037 -0.101 0.000 0.629 82 A CB -1.797 17.235 19.000 0.052 0.000 0.830 82 A HN 0.525 nan 8.150 nan 0.000 0.446 83 W N -0.099 121.160 121.300 -0.067 0.000 2.302 83 W HA -0.258 4.402 4.660 -0.001 0.000 0.320 83 W C 1.697 178.148 176.519 -0.113 0.000 1.241 83 W CA 1.438 58.736 57.345 -0.078 0.000 1.264 83 W CB -1.656 27.758 29.460 -0.078 0.000 1.154 83 W HN 0.331 nan 8.180 nan 0.000 0.483 84 L N 0.956 121.518 121.223 -1.103 0.000 1.970 84 L HA -0.204 4.136 4.340 -0.001 0.000 0.212 84 L C 2.854 179.444 176.870 -0.468 0.000 1.071 84 L CA 2.190 56.462 54.840 -0.948 0.000 0.751 84 L CB -1.471 39.615 42.059 -1.622 0.000 0.889 84 L HN 0.015 nan 8.230 nan 0.000 0.432 85 Y N 0.010 120.104 120.300 -0.343 0.000 2.097 85 Y HA -0.275 4.274 4.550 -0.001 0.000 0.282 85 Y C 2.596 178.383 175.900 -0.188 0.000 1.152 85 Y CA 1.435 59.433 58.100 -0.172 0.000 1.136 85 Y CB -0.444 37.989 38.460 -0.044 0.000 0.975 85 Y HN 0.305 nan 8.280 nan 0.000 0.498 86 E N -0.119 120.083 120.200 0.003 0.000 2.219 86 E HA -0.198 4.152 4.350 -0.001 0.000 0.198 86 E C 2.356 178.914 176.600 -0.070 0.000 0.998 86 E CA 0.817 57.197 56.400 -0.033 0.000 0.818 86 E CB -0.371 29.329 29.700 0.001 0.000 0.741 86 E HN 0.612 nan 8.360 nan 0.000 0.477 87 G N 0.951 109.705 108.800 -0.077 0.000 2.396 87 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.214 87 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.214 87 G C 1.550 176.327 174.900 -0.205 0.000 1.166 87 G CA 0.295 45.342 45.100 -0.089 0.000 0.793 87 G HN 0.077 nan 8.290 nan 0.000 0.533 88 M N 1.032 120.461 119.600 -0.286 0.000 2.202 88 M HA -0.037 4.442 4.480 -0.001 0.000 0.262 88 M C 2.959 178.699 176.300 -0.934 0.000 1.063 88 M CA 1.243 56.183 55.300 -0.601 0.000 1.097 88 M CB -0.359 31.951 32.600 -0.484 0.000 1.382 88 M HN 0.321 nan 8.290 nan 0.000 0.413 89 A N 0.989 123.515 122.820 -0.490 0.000 1.828 89 A HA -0.168 4.151 4.320 -0.001 0.000 0.215 89 A C 2.189 179.650 177.584 -0.204 0.000 1.203 89 A CA 1.472 53.328 52.037 -0.302 0.000 0.614 89 A CB -0.607 18.300 19.000 -0.155 0.000 0.844 89 A HN 0.331 nan 8.150 nan 0.000 0.445 90 R N -0.280 120.131 120.500 -0.147 0.000 2.133 90 R HA -0.259 4.080 4.340 -0.001 0.000 0.245 90 R C 2.406 178.666 176.300 -0.067 0.000 1.137 90 R CA 1.803 57.857 56.100 -0.077 0.000 0.947 90 R CB -1.665 28.598 30.300 -0.062 0.000 0.865 90 R HN 0.586 nan 8.270 nan 0.000 0.437 91 A N 0.833 123.566 122.820 -0.146 0.000 1.903 91 A HA -0.183 4.136 4.320 -0.001 0.000 0.219 91 A C 2.346 179.968 177.584 0.063 0.000 1.191 91 A CA 1.700 53.682 52.037 -0.092 0.000 0.638 91 A CB -0.918 17.963 19.000 -0.199 0.000 0.823 91 A HN 0.346 nan 8.150 nan 0.000 0.451 92 F N -0.680 119.254 119.950 -0.027 0.000 2.051 92 F HA -0.212 4.314 4.527 -0.001 0.000 0.296 92 F C 2.789 178.582 175.800 -0.012 0.000 1.122 92 F CA 1.269 59.253 58.000 -0.027 0.000 1.201 92 F CB -0.291 38.669 39.000 -0.066 0.000 0.978 92 F HN 0.139 nan 8.300 nan 0.000 0.472 93 R N 0.472 121.082 120.500 0.182 0.000 2.127 93 R HA -0.178 4.161 4.340 -0.001 0.000 0.238 93 R C 1.600 177.946 176.300 0.077 0.000 1.134 93 R CA 1.445 57.604 56.100 0.098 0.000 0.975 93 R CB -0.465 29.867 30.300 0.053 0.000 0.865 93 R HN 0.422 nan 8.270 nan 0.000 0.447 94 E N -0.814 119.428 120.200 0.071 0.000 2.511 94 E HA -0.001 4.349 4.350 -0.001 0.000 0.196 94 E C 0.813 177.453 176.600 0.066 0.000 1.066 94 E CA 0.409 56.842 56.400 0.055 0.000 0.871 94 E CB 0.491 30.213 29.700 0.036 0.000 0.863 94 E HN 0.593 nan 8.360 nan 0.000 0.520 95 G N 0.643 109.498 108.800 0.092 0.000 2.211 95 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.201 95 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.201 95 G C 0.351 175.313 174.900 0.103 0.000 0.997 95 G CA -0.222 44.931 45.100 0.087 0.000 0.652 95 G HN 0.387 nan 8.290 nan 0.000 0.500 96 A N 0.831 123.735 122.820 0.139 0.000 2.491 96 A HA 0.789 5.109 4.320 -0.001 0.000 0.261 96 A C 1.142 178.833 177.584 0.177 0.000 1.101 96 A CA 1.200 53.331 52.037 0.156 0.000 0.772 96 A CB 0.146 19.248 19.000 0.171 0.000 1.043 96 A HN 2.077 nan 8.150 nan 0.000 0.501 97 A N 2.916 125.795 122.820 0.098 0.000 2.409 97 A HA 0.528 4.848 4.320 -0.001 0.000 0.246 97 A C 0.849 178.460 177.584 0.045 0.000 1.099 97 A CA -0.054 52.016 52.037 0.056 0.000 0.789 97 A CB 0.187 19.211 19.000 0.039 0.000 1.053 97 A HN 0.905 nan 8.150 nan 0.000 0.503 98 R N 1.131 121.628 120.500 -0.004 0.000 2.625 98 R HA 0.339 4.678 4.340 -0.001 0.000 0.286 98 R C -1.823 174.515 176.300 0.063 0.000 1.406 98 R CA -0.493 55.596 56.100 -0.019 0.000 1.052 98 R CB 0.541 30.607 30.300 -0.390 0.000 1.203 98 R HN 0.685 nan 8.270 nan 0.000 0.502 99 L N 2.628 123.869 121.223 0.031 0.000 2.439 99 L HA 0.778 5.118 4.340 -0.001 0.000 0.259 99 L C -0.957 175.961 176.870 0.079 0.000 1.129 99 L CA 0.107 54.985 54.840 0.063 0.000 0.803 99 L CB 1.580 43.654 42.059 0.025 0.000 1.161 99 L HN 0.713 nan 8.230 nan 0.000 0.462 100 A N 3.249 126.142 122.820 0.122 0.000 2.500 100 A HA 0.570 4.889 4.320 -0.001 0.000 0.288 100 A C -1.507 176.161 177.584 0.139 0.000 1.045 100 A CA -0.532 51.575 52.037 0.116 0.000 0.830 100 A CB 0.701 19.769 19.000 0.114 0.000 1.337 100 A HN 0.440 nan 8.150 nan 0.000 0.400 101 V N 2.952 122.954 119.914 0.147 0.000 2.461 101 V HA 0.611 4.731 4.120 -0.001 0.000 0.275 101 V C 0.726 176.854 176.094 0.057 0.000 1.047 101 V CA 0.443 62.842 62.300 0.165 0.000 0.955 101 V CB 1.298 33.274 31.823 0.255 0.000 0.988 101 V HN 1.154 nan 8.190 nan 0.000 0.471 102 S N 2.872 118.571 115.700 -0.001 0.000 2.600 102 S HA 0.943 5.413 4.470 -0.001 0.000 0.300 102 S C -0.104 174.300 174.600 -0.327 0.000 1.087 102 S CA -0.168 57.961 58.200 -0.117 0.000 0.965 102 S CB 2.142 65.311 63.200 -0.052 0.000 1.089 102 S HN 1.846 nan 8.310 nan 0.000 0.496 103 G N 0.451 108.953 108.800 -0.497 0.000 2.299 103 G HA2 0.306 4.265 3.960 -0.001 0.000 0.219 103 G HA3 0.306 4.265 3.960 -0.001 0.000 0.219 103 G C -0.652 173.753 174.900 -0.826 0.000 2.786 103 G CA -0.192 44.328 45.100 -0.966 0.000 1.025 103 G HN 0.947 nan 8.290 nan 0.000 0.582 104 S N 0.156 115.486 115.700 -0.617 0.000 2.664 104 S HA 0.684 5.154 4.470 -0.001 0.000 0.304 104 S C -0.581 173.970 174.600 -0.082 0.000 1.099 104 S CA -0.450 57.495 58.200 -0.426 0.000 1.003 104 S CB 1.900 64.973 63.200 -0.212 0.000 1.092 104 S HN 0.659 nan 8.310 nan 0.000 0.525 105 D N 2.458 122.927 120.400 0.114 0.000 2.380 105 D HA 0.379 5.018 4.640 -0.001 0.000 0.230 105 D C -0.988 175.404 176.300 0.153 0.000 1.154 105 D CA -2.158 52.004 54.000 0.270 0.000 0.859 105 D CB 1.341 42.332 40.800 0.319 0.000 1.045 105 D HN 0.247 nan 8.370 nan 0.000 0.495 106 P HA -0.195 nan 4.420 nan 0.000 0.216 106 P C 0.163 177.502 177.300 0.065 0.000 1.153 106 P CA 1.069 64.229 63.100 0.100 0.000 0.858 106 P CB 0.184 31.945 31.700 0.103 0.000 0.789 107 K N -0.195 120.240 120.400 0.059 0.000 2.911 107 K HA 0.324 4.644 4.320 -0.001 0.000 0.239 107 K C 1.441 178.063 176.600 0.037 0.000 1.090 107 K CA -0.048 56.259 56.287 0.033 0.000 1.225 107 K CB -0.091 32.417 32.500 0.013 0.000 1.087 107 K HN 0.074 nan 8.250 nan 0.000 0.464 108 A N 0.370 123.219 122.820 0.049 0.000 1.956 108 A HA 0.075 4.395 4.320 -0.001 0.000 0.212 108 A C 1.539 179.141 177.584 0.030 0.000 1.188 108 A CA 0.482 52.547 52.037 0.047 0.000 0.675 108 A CB 0.067 19.106 19.000 0.065 0.000 0.845 108 A HN 0.312 nan 8.150 nan 0.000 0.455 109 L N 0.463 121.702 121.223 0.026 0.000 2.653 109 L HA 0.169 4.508 4.340 -0.001 0.000 0.232 109 L C 0.744 177.621 176.870 0.013 0.000 1.169 109 L CA -0.153 54.698 54.840 0.018 0.000 0.951 109 L CB -0.031 42.038 42.059 0.016 0.000 1.181 109 L HN 0.412 nan 8.230 nan 0.000 0.460 110 E N 0.668 120.876 120.200 0.013 0.000 2.373 110 E HA 0.225 4.575 4.350 -0.001 0.000 0.267 110 E C 0.991 177.593 176.600 0.004 0.000 1.032 110 E CA 0.671 57.075 56.400 0.007 0.000 0.889 110 E CB 0.698 30.400 29.700 0.004 0.000 0.984 110 E HN 0.283 nan 8.360 nan 0.000 0.425 111 G N 3.535 112.336 108.800 0.001 0.000 2.141 111 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.242 111 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.242 111 G C -0.173 174.729 174.900 0.002 0.000 0.982 111 G CA 0.282 45.383 45.100 0.001 0.000 0.662 111 G HN 0.421 nan 8.290 nan 0.000 0.527 112 L N 1.176 122.401 121.223 0.003 0.000 2.365 112 L HA 0.497 4.836 4.340 -0.001 0.000 0.273 112 L C -1.851 175.021 176.870 0.003 0.000 1.000 112 L CA -2.493 52.350 54.840 0.004 0.000 0.819 112 L CB 2.100 44.163 42.059 0.007 0.000 1.284 112 L HN -0.122 nan 8.230 nan 0.000 0.418 113 P HA 0.025 nan 4.420 nan 0.000 0.254 113 P C -2.300 175.001 177.300 0.003 0.000 1.186 113 P CA -0.832 62.270 63.100 0.002 0.000 0.868 113 P CB 0.214 31.915 31.700 0.002 0.000 0.856 114 P HA -0.161 nan 4.420 nan 0.000 0.222 114 P C 1.508 178.809 177.300 0.002 0.000 1.142 114 P CA 1.164 64.266 63.100 0.002 0.000 0.788 114 P CB 0.116 31.817 31.700 0.000 0.000 0.767 115 E N -0.125 120.076 120.200 0.002 0.000 2.077 115 E HA -0.190 4.160 4.350 -0.001 0.000 0.193 115 E C 1.743 178.345 176.600 0.004 0.000 0.989 115 E CA 1.184 57.586 56.400 0.002 0.000 0.800 115 E CB -0.038 29.663 29.700 0.002 0.000 0.746 115 E HN 0.232 nan 8.360 nan 0.000 0.452 116 K N -0.112 120.291 120.400 0.004 0.000 1.991 116 K HA -0.079 4.240 4.320 -0.001 0.000 0.207 116 K C 2.151 178.754 176.600 0.006 0.000 1.045 116 K CA 1.241 57.531 56.287 0.006 0.000 0.937 116 K CB -0.189 32.315 32.500 0.007 0.000 0.720 116 K HN -0.014 nan 8.250 nan 0.000 0.438 117 V N 1.473 121.390 119.914 0.006 0.000 2.363 117 V HA -0.298 3.822 4.120 -0.001 0.000 0.254 117 V C 2.331 178.427 176.094 0.004 0.000 1.074 117 V CA 2.257 64.560 62.300 0.005 0.000 1.069 117 V CB -1.309 30.517 31.823 0.005 0.000 0.659 117 V HN 0.566 nan 8.190 nan 0.000 0.455 118 G N -0.777 108.025 108.800 0.004 0.000 2.414 118 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.215 118 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.215 118 G C 1.645 176.547 174.900 0.004 0.000 1.188 118 G CA 0.745 45.847 45.100 0.003 0.000 0.783 118 G HN 0.418 nan 8.290 nan 0.000 0.537 119 R N 0.403 120.907 120.500 0.006 0.000 2.185 119 R HA -0.116 4.224 4.340 -0.001 0.000 0.247 119 R C 2.631 178.937 176.300 0.010 0.000 1.159 119 R CA 1.537 57.642 56.100 0.008 0.000 0.988 119 R CB -0.182 30.123 30.300 0.008 0.000 0.871 119 R HN 0.375 nan 8.270 nan 0.000 0.458 120 A N -0.615 122.210 122.820 0.009 0.000 1.911 120 A HA -0.077 4.242 4.320 -0.001 0.000 0.212 120 A C 1.924 179.513 177.584 0.009 0.000 1.189 120 A CA 0.625 52.669 52.037 0.012 0.000 0.639 120 A CB -0.230 18.777 19.000 0.012 0.000 0.839 120 A HN 0.381 nan 8.150 nan 0.000 0.449 121 Q N -0.088 119.713 119.800 0.001 0.000 2.187 121 Q HA -0.074 4.265 4.340 -0.001 0.000 0.199 121 Q C 1.677 177.672 176.000 -0.007 0.000 0.957 121 Q CA 1.133 56.930 55.803 -0.009 0.000 0.857 121 Q CB -0.039 28.691 28.738 -0.014 0.000 0.929 121 Q HN 0.621 nan 8.270 nan 0.000 0.453 122 K N -0.417 119.983 120.400 -0.000 0.000 2.280 122 K HA -0.090 4.230 4.320 -0.001 0.000 0.202 122 K C 1.743 178.347 176.600 0.006 0.000 1.047 122 K CA 0.968 57.256 56.287 0.001 0.000 0.942 122 K CB 0.078 32.580 32.500 0.004 0.000 0.739 122 K HN 0.158 nan 8.250 nan 0.000 0.457 123 A N 0.884 123.711 122.820 0.012 0.000 1.984 123 A HA -0.070 4.250 4.320 -0.001 0.000 0.214 123 A C 1.805 179.409 177.584 0.033 0.000 1.173 123 A CA 0.923 52.973 52.037 0.023 0.000 0.673 123 A CB -0.332 18.684 19.000 0.027 0.000 0.830 123 A HN 0.222 nan 8.150 nan 0.000 0.453 124 N N 0.767 119.482 118.700 0.025 0.000 2.039 124 N HA -0.100 4.639 4.740 -0.001 0.000 0.193 124 N C 1.804 177.307 175.510 -0.011 0.000 1.044 124 N CA 2.006 55.075 53.050 0.030 0.000 0.847 124 N CB -0.346 38.136 38.487 -0.009 0.000 1.030 124 N HN 0.306 nan 8.380 nan 0.000 0.422 125 A N 0.384 123.186 122.820 -0.030 0.000 2.032 125 A HA -0.165 4.154 4.320 -0.001 0.000 0.221 125 A C 2.179 179.764 177.584 0.001 0.000 1.165 125 A CA 1.350 53.378 52.037 -0.014 0.000 0.645 125 A CB -0.575 18.417 19.000 -0.013 0.000 0.807 125 A HN 0.351 nan 8.150 nan 0.000 0.453 126 R N -1.071 119.433 120.500 0.007 0.000 2.115 126 R HA -0.036 4.303 4.340 -0.001 0.000 0.230 126 R C 2.299 178.610 176.300 0.018 0.000 1.111 126 R CA 1.189 57.294 56.100 0.009 0.000 0.976 126 R CB -0.234 30.075 30.300 0.015 0.000 0.870 126 R HN 0.540 nan 8.270 nan 0.000 0.445 127 A N -0.735 122.116 122.820 0.053 0.000 1.956 127 A HA -0.090 4.230 4.320 -0.001 0.000 0.212 127 A C 1.719 179.351 177.584 0.080 0.000 1.188 127 A CA 0.302 52.397 52.037 0.097 0.000 0.675 127 A CB -0.390 18.724 19.000 0.189 0.000 0.845 127 A HN 0.374 nan 8.150 nan 0.000 0.455 128 Y N 1.133 121.304 120.300 -0.216 0.000 2.352 128 Y HA -0.151 4.399 4.550 -0.001 0.000 0.292 128 Y C 2.124 177.876 175.900 -0.246 0.000 1.136 128 Y CA 1.681 59.503 58.100 -0.462 0.000 1.227 128 Y CB -0.298 37.702 38.460 -0.768 0.000 0.991 128 Y HN 0.357 nan 8.280 nan 0.000 0.545 129 K N 0.536 120.815 120.400 -0.201 0.000 2.044 129 K HA -0.258 4.062 4.320 -0.001 0.000 0.224 129 K C -0.699 175.723 176.600 -0.296 0.000 1.056 129 K CA 2.567 58.718 56.287 -0.227 0.000 0.962 129 K CB -1.334 31.099 32.500 -0.112 0.000 0.730 129 K HN 0.258 nan 8.250 nan 0.000 0.453 130 P HA -0.186 nan 4.420 nan 0.000 0.218 130 P C 0.841 177.988 177.300 -0.255 0.000 1.146 130 P CA 1.994 64.981 63.100 -0.188 0.000 0.813 130 P CB -0.031 31.598 31.700 -0.118 0.000 0.778 131 A N 0.272 122.833 122.820 -0.433 0.000 1.832 131 A HA -0.117 4.202 4.320 -0.001 0.000 0.214 131 A C 2.266 179.537 177.584 -0.523 0.000 1.204 131 A CA 1.296 53.051 52.037 -0.470 0.000 0.606 131 A CB -1.674 16.863 19.000 -0.773 0.000 0.849 131 A HN 0.163 nan 8.150 nan 0.000 0.445 132 L N 0.300 120.994 121.223 -0.883 0.000 2.011 132 L HA -0.307 4.033 4.340 -0.001 0.000 0.225 132 L C 2.218 178.849 176.870 -0.398 0.000 1.084 132 L CA 2.880 57.370 54.840 -0.584 0.000 0.791 132 L CB -0.847 40.956 42.059 -0.427 0.000 0.898 132 L HN 0.595 nan 8.230 nan 0.000 0.440 133 E N -0.857 119.158 120.200 -0.308 0.000 2.086 133 E HA -0.320 4.029 4.350 -0.001 0.000 0.200 133 E C 2.097 178.572 176.600 -0.208 0.000 1.012 133 E CA 1.427 57.697 56.400 -0.216 0.000 0.812 133 E CB -0.369 29.238 29.700 -0.156 0.000 0.743 133 E HN 0.721 nan 8.360 nan 0.000 0.453 134 A N 0.482 123.190 122.820 -0.185 0.000 1.978 134 A HA -0.172 4.147 4.320 -0.001 0.000 0.220 134 A C 2.046 179.464 177.584 -0.277 0.000 1.170 134 A CA 1.196 53.160 52.037 -0.120 0.000 0.636 134 A CB -0.364 18.674 19.000 0.063 0.000 0.810 134 A HN 0.192 nan 8.150 nan 0.000 0.448 135 I N -1.644 118.632 120.570 -0.490 0.000 2.628 135 I HA -0.105 4.064 4.170 -0.001 0.000 0.255 135 I C 2.474 178.075 176.117 -0.859 0.000 1.119 135 I CA 1.221 61.970 61.300 -0.920 0.000 1.448 135 I CB -0.651 36.599 38.000 -1.250 0.000 1.133 135 I HN 0.174 nan 8.210 nan 0.000 0.438 136 T N 0.077 114.274 114.554 -0.595 0.000 2.635 136 T HA -0.242 4.108 4.350 -0.001 0.000 0.267 136 T C 1.034 175.512 174.700 -0.369 0.000 1.040 136 T CA 1.238 63.079 62.100 -0.433 0.000 1.156 136 T CB -0.286 68.423 68.868 -0.264 0.000 0.863 136 T HN 0.277 nan 8.240 nan 0.000 0.430 137 E N 1.088 121.148 120.200 -0.234 0.000 1.893 137 E HA 0.157 4.507 4.350 -0.001 0.000 0.269 137 E C -0.982 175.609 176.600 -0.016 0.000 1.129 137 E CA -0.486 55.881 56.400 -0.054 0.000 0.904 137 E CB -0.248 29.436 29.700 -0.028 0.000 1.077 137 E HN 0.334 nan 8.360 nan 0.000 0.407 138 F N 3.551 123.577 119.950 0.128 0.000 2.355 138 F HA -0.163 4.363 4.527 -0.001 0.000 0.365 138 F C 1.575 177.436 175.800 0.101 0.000 1.075 138 F CA 0.185 58.296 58.000 0.186 0.000 0.959 138 F CB -0.069 39.034 39.000 0.172 0.000 0.913 138 F HN 0.338 nan 8.300 nan 0.000 0.539 139 V N -0.951 119.070 119.914 0.179 0.000 2.908 139 V HA 0.187 4.307 4.120 -0.001 0.000 0.240 139 V C 0.744 176.915 176.094 0.129 0.000 1.117 139 V CA 0.829 63.203 62.300 0.122 0.000 1.133 139 V CB 0.132 31.994 31.823 0.065 0.000 0.857 139 V HN 0.543 nan 8.190 nan 0.000 0.478 140 T N 1.255 115.885 114.554 0.126 0.000 2.940 140 T HA 0.489 4.838 4.350 -0.001 0.000 0.288 140 T C -0.462 174.363 174.700 0.208 0.000 1.045 140 T CA -0.537 61.633 62.100 0.116 0.000 1.018 140 T CB 1.368 70.257 68.868 0.036 0.000 1.151 140 T HN 0.574 nan 8.240 nan 0.000 0.529 141 N N 1.870 120.653 118.700 0.138 0.000 2.401 141 N HA 0.160 4.899 4.740 -0.001 0.000 0.255 141 N C -0.437 175.152 175.510 0.132 0.000 1.110 141 N CA -0.754 52.361 53.050 0.108 0.000 0.949 141 N CB 0.570 39.080 38.487 0.037 0.000 1.110 141 N HN 0.894 nan 8.380 nan 0.000 0.490 142 W N 1.251 122.544 121.300 -0.012 0.000 2.820 142 W HA 0.723 5.383 4.660 -0.001 0.000 0.350 142 W C -1.179 175.344 176.519 0.006 0.000 1.116 142 W CA -0.884 56.421 57.345 -0.067 0.000 1.146 142 W CB 0.502 29.853 29.460 -0.182 0.000 1.433 142 W HN 0.236 nan 8.180 nan 0.000 0.561 143 T N 1.338 116.011 114.554 0.198 0.000 2.754 143 T HA 0.612 4.961 4.350 -0.001 0.000 0.296 143 T C -1.119 173.716 174.700 0.224 0.000 1.205 143 T CA -0.757 61.378 62.100 0.058 0.000 1.009 143 T CB 2.123 70.989 68.868 -0.003 0.000 1.368 143 T HN 0.372 nan 8.240 nan 0.000 0.509 144 I N 1.749 122.415 120.570 0.160 0.000 2.563 144 I HA 0.360 4.529 4.170 -0.001 0.000 0.281 144 I C -1.038 175.178 176.117 0.164 0.000 1.110 144 I CA -0.637 60.778 61.300 0.191 0.000 1.073 144 I CB 1.626 39.766 38.000 0.233 0.000 1.215 144 I HN 0.250 nan 8.210 nan 0.000 0.460 145 V N 7.862 127.883 119.914 0.179 0.000 2.713 145 V HA 0.658 4.778 4.120 -0.001 0.000 0.307 145 V C -2.364 173.852 176.094 0.203 0.000 1.052 145 V CA -1.460 60.971 62.300 0.219 0.000 0.967 145 V CB 2.145 34.148 31.823 0.300 0.000 1.019 145 V HN 0.527 nan 8.190 nan 0.000 0.459 146 P HA 0.563 nan 4.420 nan 0.000 0.319 146 P C -1.651 175.591 177.300 -0.096 0.000 1.523 146 P CA -0.585 62.512 63.100 -0.005 0.000 1.207 146 P CB 2.426 34.110 31.700 -0.026 0.000 1.493 147 F N 1.925 121.644 119.950 -0.384 0.000 2.613 147 F HA 0.672 5.199 4.527 -0.001 0.000 0.314 147 F C 0.146 175.765 175.800 -0.301 0.000 1.075 147 F CA -0.367 57.369 58.000 -0.439 0.000 0.945 147 F CB 2.090 40.552 39.000 -0.897 0.000 1.310 147 F HN 0.590 nan 8.300 nan 0.000 0.467 148 A N 2.289 124.813 122.820 -0.494 0.000 2.749 148 A HA 0.159 4.479 4.320 -0.001 0.000 0.279 148 A C -1.013 176.661 177.584 0.149 0.000 1.470 148 A CA 1.508 53.509 52.037 -0.060 0.000 1.404 148 A CB -0.585 18.455 19.000 0.066 0.000 1.152 148 A HN 1.305 nan 8.150 nan 0.000 0.551 149 H N -1.741 117.361 119.070 0.054 0.000 3.069 149 H HA 0.356 4.911 4.556 -0.001 0.000 0.294 149 H C -2.848 172.530 175.328 0.084 0.000 1.144 149 H CA -0.565 55.499 56.048 0.026 0.000 1.579 149 H CB 0.859 30.554 29.762 -0.111 0.000 2.174 149 H HN 0.220 nan 8.280 nan 0.000 0.456 150 P HA 0.090 nan 4.420 nan 0.000 0.261 150 P C 0.713 177.881 177.300 -0.220 0.000 1.288 150 P CA 1.590 64.558 63.100 -0.220 0.000 0.751 150 P CB 0.035 31.608 31.700 -0.211 0.000 1.103 151 G N -3.966 104.701 108.800 -0.221 0.000 3.274 151 G HA2 0.016 3.976 3.960 -0.001 0.000 0.250 151 G HA3 0.016 3.976 3.960 -0.001 0.000 0.250 151 G C 0.466 175.571 174.900 0.341 0.000 1.024 151 G CA -0.093 45.053 45.100 0.076 0.000 0.840 151 G HN 0.175 nan 8.290 nan 0.000 0.522 152 W N 0.260 121.594 121.300 0.056 0.000 3.875 152 W HA 0.437 5.096 4.660 -0.001 0.000 0.221 152 W C 2.339 178.882 176.519 0.039 0.000 0.947 152 W CA 0.918 58.294 57.345 0.053 0.000 2.039 152 W CB -0.108 29.390 29.460 0.063 0.000 0.954 152 W HN 0.082 nan 8.180 nan 0.000 0.792 153 A N 0.320 123.318 122.820 0.297 0.000 2.076 153 A HA -0.154 4.166 4.320 -0.001 0.000 0.220 153 A C 1.925 179.574 177.584 0.110 0.000 1.160 153 A CA 1.611 53.752 52.037 0.173 0.000 0.653 153 A CB -0.583 18.440 19.000 0.039 0.000 0.801 153 A HN 0.290 nan 8.150 nan 0.000 0.455 154 R N -1.402 119.139 120.500 0.069 0.000 2.276 154 R HA 0.193 4.532 4.340 -0.001 0.000 0.196 154 R C 1.685 177.976 176.300 -0.016 0.000 0.961 154 R CA 0.788 56.895 56.100 0.013 0.000 1.024 154 R CB -0.021 30.271 30.300 -0.013 0.000 0.940 154 R HN 0.504 nan 8.270 nan 0.000 0.480 155 A N -0.768 122.039 122.820 -0.023 0.000 2.026 155 A HA 0.103 4.423 4.320 -0.001 0.000 0.201 155 A C 1.830 179.223 177.584 -0.318 0.000 1.318 155 A CA -0.099 51.847 52.037 -0.152 0.000 0.857 155 A CB 0.132 19.068 19.000 -0.105 0.000 0.939 155 A HN 0.078 nan 8.150 nan 0.000 0.476 156 V N -0.355 119.406 119.914 -0.255 0.000 2.261 156 V HA -0.083 4.037 4.120 -0.001 0.000 0.246 156 V C 0.543 176.378 176.094 -0.432 0.000 1.047 156 V CA 1.281 63.356 62.300 -0.374 0.000 1.015 156 V CB -0.685 30.930 31.823 -0.348 0.000 0.642 156 V HN 0.430 nan 8.190 nan 0.000 0.446 157 F N -0.161 119.694 119.950 -0.159 0.000 2.426 157 F HA 0.454 4.981 4.527 -0.001 0.000 0.348 157 F C -2.214 173.510 175.800 -0.128 0.000 1.124 157 F CA -2.362 55.563 58.000 -0.126 0.000 1.008 157 F CB 0.974 39.910 39.000 -0.106 0.000 1.139 157 F HN -0.037 nan 8.300 nan 0.000 0.452 158 P HA 0.137 nan 4.420 nan 0.000 0.243 158 P C 0.508 177.813 177.300 0.008 0.000 1.672 158 P CA -0.011 63.080 63.100 -0.015 0.000 1.000 158 P CB 0.402 32.065 31.700 -0.062 0.000 1.562 159 G N 0.654 109.483 108.800 0.049 0.000 2.716 159 G HA2 0.077 4.037 3.960 -0.001 0.000 0.296 159 G HA3 0.077 4.037 3.960 -0.001 0.000 0.296 159 G C 0.951 175.829 174.900 -0.036 0.000 0.811 159 G CA -0.211 44.894 45.100 0.007 0.000 1.758 159 G HN 0.167 nan 8.290 nan 0.000 0.512 160 L N 1.759 122.962 121.223 -0.033 0.000 2.434 160 L HA -0.217 4.123 4.340 -0.001 0.000 0.244 160 L C -0.753 176.081 176.870 -0.060 0.000 1.169 160 L CA 1.539 56.354 54.840 -0.042 0.000 0.804 160 L CB -1.656 40.381 42.059 -0.036 0.000 1.020 160 L HN 0.343 nan 8.230 nan 0.000 0.414 161 P HA -0.153 nan 4.420 nan 0.000 0.243 161 P C 0.235 177.463 177.300 -0.120 0.000 1.107 161 P CA 1.032 64.074 63.100 -0.097 0.000 0.848 161 P CB 0.250 31.879 31.700 -0.117 0.000 0.771 162 E N 3.302 123.443 120.200 -0.098 0.000 2.076 162 E HA -0.216 4.134 4.350 -0.001 0.000 0.190 162 E C 1.623 178.141 176.600 -0.137 0.000 0.979 162 E CA 0.650 56.990 56.400 -0.101 0.000 0.807 162 E CB 0.024 29.681 29.700 -0.071 0.000 0.761 162 E HN 0.512 nan 8.360 nan 0.000 0.454 163 E N 0.458 120.584 120.200 -0.123 0.000 2.171 163 E HA -0.271 4.079 4.350 -0.001 0.000 0.197 163 E C 1.796 178.235 176.600 -0.268 0.000 0.997 163 E CA 1.447 57.761 56.400 -0.144 0.000 0.810 163 E CB 0.036 29.680 29.700 -0.092 0.000 0.738 163 E HN 0.297 nan 8.360 nan 0.000 0.467 164 E N -1.080 118.960 120.200 -0.266 0.000 2.415 164 E HA 0.046 4.395 4.350 -0.001 0.000 0.197 164 E C 1.694 178.021 176.600 -0.455 0.000 1.007 164 E CA 0.509 56.691 56.400 -0.363 0.000 0.890 164 E CB 0.134 29.682 29.700 -0.252 0.000 0.891 164 E HN 0.320 nan 8.360 nan 0.000 0.496 165 A N 0.479 123.083 122.820 -0.361 0.000 1.855 165 A HA -0.124 4.195 4.320 -0.001 0.000 0.215 165 A C 2.297 179.606 177.584 -0.459 0.000 1.191 165 A CA 1.271 53.075 52.037 -0.388 0.000 0.613 165 A CB -0.742 18.153 19.000 -0.175 0.000 0.829 165 A HN 0.188 nan 8.150 nan 0.000 0.442 166 V N -0.055 119.632 119.914 -0.379 0.000 2.287 166 V HA -0.302 3.817 4.120 -0.001 0.000 0.248 166 V C 2.584 178.130 176.094 -0.914 0.000 1.053 166 V CA 2.364 64.436 62.300 -0.380 0.000 1.027 166 V CB -0.823 30.876 31.823 -0.207 0.000 0.646 166 V HN 0.565 nan 8.190 nan 0.000 0.447 167 R N -0.965 118.730 120.500 -1.342 0.000 2.204 167 R HA -0.256 4.084 4.340 -0.001 0.000 0.253 167 R C 2.416 177.966 176.300 -1.250 0.000 1.172 167 R CA 1.900 56.787 56.100 -2.021 0.000 0.994 167 R CB -0.135 29.556 30.300 -1.015 0.000 0.874 167 R HN 0.330 nan 8.270 nan 0.000 0.462 168 R N -0.313 119.704 120.500 -0.806 0.000 2.051 168 R HA 0.015 4.355 4.340 -0.001 0.000 0.218 168 R C 1.962 178.122 176.300 -0.234 0.000 1.188 168 R CA 0.650 56.426 56.100 -0.539 0.000 0.992 168 R CB -0.817 28.837 30.300 -1.077 0.000 0.883 168 R HN 0.099 nan 8.270 nan 0.000 0.444 169 L N 1.193 122.265 121.223 -0.252 0.000 2.021 169 L HA -0.182 4.157 4.340 -0.001 0.000 0.215 169 L C 1.848 178.723 176.870 0.007 0.000 1.074 169 L CA 2.149 57.038 54.840 0.082 0.000 0.760 169 L CB -1.184 40.944 42.059 0.116 0.000 0.889 169 L HN 0.556 nan 8.230 nan 0.000 0.433 170 W N 0.244 121.363 121.300 -0.301 0.000 2.331 170 W HA -0.194 4.466 4.660 -0.001 0.000 0.291 170 W C 2.070 178.335 176.519 -0.423 0.000 1.214 170 W CA 1.412 58.409 57.345 -0.580 0.000 1.228 170 W CB -1.553 27.854 29.460 -0.088 0.000 1.135 170 W HN 0.398 nan 8.180 nan 0.000 0.537 171 E N 0.194 120.761 120.200 0.612 0.000 2.230 171 E HA 0.050 4.400 4.350 -0.001 0.000 0.192 171 E C 2.455 179.281 176.600 0.377 0.000 0.987 171 E CA 1.084 57.856 56.400 0.620 0.000 0.841 171 E CB -0.204 29.832 29.700 0.560 0.000 0.783 171 E HN 0.227 nan 8.360 nan 0.000 0.481 172 A N 0.829 123.823 122.820 0.291 0.000 1.898 172 A HA -0.152 4.167 4.320 -0.001 0.000 0.216 172 A C 2.058 179.809 177.584 0.278 0.000 1.181 172 A CA 1.010 53.258 52.037 0.351 0.000 0.620 172 A CB -0.525 18.778 19.000 0.504 0.000 0.819 172 A HN 0.267 nan 8.150 nan 0.000 0.442 173 I N -1.602 119.036 120.570 0.114 0.000 2.394 173 I HA -0.201 3.968 4.170 -0.001 0.000 0.251 173 I C 1.695 177.877 176.117 0.110 0.000 1.136 173 I CA 0.976 62.342 61.300 0.111 0.000 1.425 173 I CB -0.435 37.466 38.000 -0.165 0.000 1.079 173 I HN 0.223 nan 8.210 nan 0.000 0.425 174 F N 0.959 121.069 119.950 0.267 0.000 2.546 174 F HA -0.103 4.424 4.527 -0.001 0.000 0.298 174 F C 2.472 178.394 175.800 0.203 0.000 1.120 174 F CA 0.934 59.080 58.000 0.244 0.000 1.456 174 F CB -0.622 38.519 39.000 0.234 0.000 1.088 174 F HN 0.149 nan 8.300 nan 0.000 0.572 175 Q N -0.822 119.172 119.800 0.324 0.000 2.388 175 Q HA 0.145 4.484 4.340 -0.001 0.000 0.204 175 Q C 2.503 178.581 176.000 0.130 0.000 0.946 175 Q CA 0.716 56.649 55.803 0.217 0.000 0.880 175 Q CB -0.246 28.612 28.738 0.200 0.000 0.997 175 Q HN 0.286 nan 8.270 nan 0.000 0.552 176 A N 1.264 124.127 122.820 0.070 0.000 2.024 176 A HA -0.109 4.210 4.320 -0.001 0.000 0.220 176 A C 1.574 179.160 177.584 0.003 0.000 1.164 176 A CA 1.625 53.573 52.037 -0.149 0.000 0.643 176 A CB -0.796 17.814 19.000 -0.649 0.000 0.806 176 A HN 0.507 nan 8.150 nan 0.000 0.451 185 I N 1.141 121.801 120.570 0.149 0.000 2.300 185 I HA -0.199 3.971 4.170 -0.001 0.000 0.252 185 I C 1.971 178.194 176.117 0.176 0.000 1.119 185 I CA 2.046 63.432 61.300 0.143 0.000 1.384 185 I CB -1.132 36.909 38.000 0.069 0.000 1.062 185 I HN 0.113 nan 8.210 nan 0.000 0.426 186 A N 0.005 122.906 122.820 0.135 0.000 2.169 186 A HA 0.383 4.703 4.320 -0.001 0.000 0.212 186 A C 2.401 180.055 177.584 0.117 0.000 1.153 186 A CA 1.083 53.185 52.037 0.108 0.000 0.756 186 A CB -0.602 18.441 19.000 0.071 0.000 0.813 186 A HN 0.420 nan 8.150 nan 0.000 0.471 187 A N -1.980 120.933 122.820 0.155 0.000 1.997 187 A HA 0.129 4.448 4.320 -0.001 0.000 0.212 187 A C 1.736 179.389 177.584 0.115 0.000 1.178 187 A CA 0.526 52.624 52.037 0.101 0.000 0.698 187 A CB -0.550 18.501 19.000 0.085 0.000 0.842 187 A HN 0.635 nan 8.150 nan 0.000 0.458 188 W N 0.388 121.739 121.300 0.085 0.000 2.518 188 W HA 0.096 4.756 4.660 -0.001 0.000 0.273 188 W C 2.140 178.729 176.519 0.116 0.000 1.247 188 W CA 1.211 58.637 57.345 0.135 0.000 1.288 188 W CB 0.216 29.742 29.460 0.109 0.000 1.107 188 W HN 0.513 nan 8.180 nan 0.000 0.586 189 E N -0.006 120.368 120.200 0.290 0.000 2.072 189 E HA -0.118 4.231 4.350 -0.001 0.000 0.190 189 E C 1.994 178.669 176.600 0.125 0.000 0.982 189 E CA 1.329 57.838 56.400 0.181 0.000 0.803 189 E CB -0.173 29.602 29.700 0.126 0.000 0.755 189 E HN 0.071 nan 8.360 nan 0.000 0.453 190 A N -0.472 122.411 122.820 0.105 0.000 2.302 190 A HA -0.014 4.306 4.320 -0.001 0.000 0.219 190 A C 1.478 179.108 177.584 0.078 0.000 1.243 190 A CA 0.268 52.344 52.037 0.064 0.000 0.856 190 A CB -0.463 18.561 19.000 0.039 0.000 0.893 190 A HN 0.450 nan 8.150 nan 0.000 0.491 191 H N -0.964 118.071 119.070 -0.059 0.000 2.545 191 H HA 0.078 4.634 4.556 -0.001 0.000 0.283 191 H C 1.524 176.790 175.328 -0.103 0.000 0.997 191 H CA 0.637 56.594 56.048 -0.151 0.000 1.269 191 H CB 0.405 29.953 29.762 -0.357 0.000 1.451 191 H HN 0.532 nan 8.280 nan 0.000 0.508 192 N N 0.211 118.889 118.700 -0.037 0.000 2.381 192 N HA -0.055 4.685 4.740 -0.001 0.000 0.182 192 N C 1.831 177.380 175.510 0.065 0.000 1.025 192 N CA 0.667 53.701 53.050 -0.027 0.000 0.888 192 N CB 0.145 38.712 38.487 0.133 0.000 0.965 192 N HN 0.268 nan 8.380 nan 0.000 0.438 193 R N 0.285 120.813 120.500 0.048 0.000 2.062 193 R HA 0.151 4.490 4.340 -0.001 0.000 0.226 193 R C 2.123 178.417 176.300 -0.010 0.000 1.125 193 R CA 1.031 57.154 56.100 0.039 0.000 0.966 193 R CB -0.243 30.067 30.300 0.017 0.000 0.861 193 R HN 0.149 nan 8.270 nan 0.000 0.433 194 A N 0.924 123.724 122.820 -0.033 0.000 2.076 194 A HA -0.127 4.193 4.320 -0.001 0.000 0.220 194 A C 1.965 179.461 177.584 -0.148 0.000 1.160 194 A CA 1.195 53.186 52.037 -0.077 0.000 0.653 194 A CB -0.345 18.645 19.000 -0.017 0.000 0.801 194 A HN 0.177 nan 8.150 nan 0.000 0.455 195 L N -2.515 118.609 121.223 -0.164 0.000 2.116 195 L HA 0.006 4.346 4.340 -0.001 0.000 0.200 195 L C 2.386 179.134 176.870 -0.203 0.000 1.084 195 L CA 0.619 55.320 54.840 -0.231 0.000 0.766 195 L CB -0.716 41.147 42.059 -0.326 0.000 0.930 195 L HN 0.390 nan 8.230 nan 0.000 0.453 196 H N 0.520 119.513 119.070 -0.128 0.000 2.523 196 H HA -0.198 4.358 4.556 -0.001 0.000 0.296 196 H C 1.965 177.231 175.328 -0.104 0.000 1.106 196 H CA 1.434 57.423 56.048 -0.098 0.000 1.230 196 H CB 0.137 29.852 29.762 -0.077 0.000 1.359 196 H HN 0.485 nan 8.280 nan 0.000 0.552 197 E N 0.406 120.580 120.200 -0.043 0.000 2.033 197 E HA -0.109 4.241 4.350 -0.001 0.000 0.189 197 E C 2.218 178.723 176.600 -0.158 0.000 0.979 197 E CA 0.506 56.849 56.400 -0.095 0.000 0.802 197 E CB 0.144 29.761 29.700 -0.138 0.000 0.763 197 E HN 0.154 nan 8.360 nan 0.000 0.449 198 K N 0.577 120.810 120.400 -0.278 0.000 2.057 198 K HA -0.109 4.211 4.320 -0.001 0.000 0.207 198 K C 1.974 178.435 176.600 -0.232 0.000 1.049 198 K CA 0.710 56.767 56.287 -0.383 0.000 0.931 198 K CB -0.383 31.735 32.500 -0.637 0.000 0.714 198 K HN -0.031 nan 8.250 nan 0.000 0.440 199 V N 0.420 120.231 119.914 -0.172 0.000 2.720 199 V HA -0.203 3.916 4.120 -0.001 0.000 0.256 199 V C 2.082 178.150 176.094 -0.044 0.000 1.082 199 V CA 1.796 64.035 62.300 -0.101 0.000 1.101 199 V CB -0.793 30.971 31.823 -0.097 0.000 0.693 199 V HN 0.324 nan 8.190 nan 0.000 0.479 200 A N -0.828 121.979 122.820 -0.023 0.000 1.874 200 A HA -0.116 4.203 4.320 -0.001 0.000 0.214 200 A C 2.115 179.716 177.584 0.027 0.000 1.189 200 A CA 1.246 53.294 52.037 0.017 0.000 0.615 200 A CB -0.644 18.370 19.000 0.023 0.000 0.830 200 A HN 0.507 nan 8.150 nan 0.000 0.443 201 Y N 1.048 121.262 120.300 -0.143 0.000 2.014 201 Y HA -0.240 4.309 4.550 -0.001 0.000 0.270 201 Y C 2.027 177.846 175.900 -0.135 0.000 1.145 201 Y CA 2.012 60.031 58.100 -0.136 0.000 1.106 201 Y CB -0.744 37.599 38.460 -0.195 0.000 0.968 201 Y HN 0.204 nan 8.280 nan 0.000 0.484 202 L N 0.423 121.475 121.223 -0.285 0.000 2.211 202 L HA -0.334 4.006 4.340 -0.001 0.000 0.216 202 L C 2.119 178.812 176.870 -0.294 0.000 1.092 202 L CA 1.572 56.036 54.840 -0.625 0.000 0.767 202 L CB -0.691 40.444 42.059 -1.540 0.000 0.894 202 L HN 0.409 nan 8.230 nan 0.000 0.437 203 N N -0.296 118.361 118.700 -0.072 0.000 2.290 203 N HA -0.018 4.721 4.740 -0.001 0.000 0.179 203 N C 1.901 177.456 175.510 0.075 0.000 1.016 203 N CA 1.244 54.386 53.050 0.153 0.000 0.871 203 N CB 0.094 38.666 38.487 0.142 0.000 0.987 203 N HN 0.298 nan 8.380 nan 0.000 0.431 204 A N 1.857 124.665 122.820 -0.021 0.000 1.854 204 A HA -0.029 4.290 4.320 -0.001 0.000 0.214 204 A C 2.092 179.603 177.584 -0.122 0.000 1.192 204 A CA 0.839 52.846 52.037 -0.050 0.000 0.611 204 A CB -0.236 18.740 19.000 -0.041 0.000 0.832 204 A HN 0.059 nan 8.150 nan 0.000 0.442 205 R N -1.245 119.098 120.500 -0.262 0.000 2.211 205 R HA -0.117 4.223 4.340 -0.001 0.000 0.240 205 R C 0.603 176.637 176.300 -0.443 0.000 1.144 205 R CA 1.028 56.850 56.100 -0.464 0.000 0.992 205 R CB -0.943 28.862 30.300 -0.825 0.000 0.869 205 R HN 0.496 nan 8.270 nan 0.000 0.462 206 R N 0.389 120.815 120.500 -0.122 0.000 3.127 206 R HA -0.184 4.156 4.340 -0.001 0.000 0.247 206 R C -0.992 175.291 176.300 -0.028 0.000 0.896 206 R CA 0.091 56.212 56.100 0.035 0.000 0.624 206 R CB -2.261 28.010 30.300 -0.048 0.000 1.154 206 R HN 0.002 nan 8.270 nan 0.000 0.474 207 F N -0.098 119.864 119.950 0.021 0.000 2.527 207 F HA 0.137 4.664 4.527 -0.001 0.000 0.316 207 F C 2.170 178.063 175.800 0.155 0.000 1.258 207 F CA 0.958 58.914 58.000 -0.073 0.000 1.314 207 F CB 0.198 39.143 39.000 -0.092 0.000 1.200 207 F HN 0.451 nan 8.300 nan 0.000 0.577 208 H N -0.384 118.806 119.070 0.199 0.000 2.885 208 H HA 0.637 5.193 4.556 -0.001 0.000 0.260 208 H C -0.711 174.695 175.328 0.130 0.000 0.985 208 H CA 0.547 56.678 56.048 0.138 0.000 1.210 208 H CB 0.558 30.366 29.762 0.077 0.000 1.466 208 H HN 0.548 nan 8.280 nan 0.000 0.493 209 A N -0.017 122.854 122.820 0.084 0.000 2.550 209 A HA 0.437 4.756 4.320 -0.001 0.000 0.295 209 A C -1.860 175.730 177.584 0.010 0.000 1.001 209 A CA -0.749 51.267 52.037 -0.035 0.000 0.660 209 A CB 0.143 19.057 19.000 -0.144 0.000 1.308 209 A HN 0.135 nan 8.150 nan 0.000 0.426 210 L N 1.716 122.912 121.223 -0.045 0.000 2.334 210 L HA 0.617 4.956 4.340 -0.001 0.000 0.270 210 L C 0.141 176.984 176.870 -0.046 0.000 1.018 210 L CA -0.702 54.049 54.840 -0.149 0.000 0.811 210 L CB 1.743 43.638 42.059 -0.274 0.000 1.271 210 L HN 0.881 nan 8.230 nan 0.000 0.443 211 H N 1.876 120.780 119.070 -0.276 0.000 2.991 211 H HA 0.341 4.897 4.556 -0.001 0.000 0.304 211 H C -1.574 173.622 175.328 -0.220 0.000 1.040 211 H CA -0.629 55.341 56.048 -0.130 0.000 1.410 211 H CB 0.901 30.634 29.762 -0.049 0.000 1.529 211 H HN 0.307 nan 8.280 nan 0.000 0.509 212 F N 3.732 123.485 119.950 -0.328 0.000 2.396 212 F HA 0.340 4.866 4.527 -0.001 0.000 0.343 212 F C 0.493 176.022 175.800 -0.451 0.000 1.104 212 F CA -0.250 57.556 58.000 -0.324 0.000 1.161 212 F CB 1.109 39.971 39.000 -0.230 0.000 1.146 212 F HN 0.350 nan 8.300 nan 0.000 0.522 213 K N 1.742 122.035 120.400 -0.179 0.000 2.513 213 K HA 0.751 5.070 4.320 -0.001 0.000 0.251 213 K C -0.665 175.899 176.600 -0.061 0.000 0.939 213 K CA -0.521 55.672 56.287 -0.158 0.000 0.793 213 K CB 2.056 34.446 32.500 -0.184 0.000 1.241 213 K HN 0.868 nan 8.250 nan 0.000 0.431 214 G N 2.158 110.938 108.800 -0.034 0.000 2.494 214 G HA2 0.339 4.298 3.960 -0.001 0.000 0.308 214 G HA3 0.339 4.298 3.960 -0.001 0.000 0.308 214 G C -2.988 171.904 174.900 -0.014 0.000 1.263 214 G CA -0.769 44.318 45.100 -0.021 0.000 0.840 214 G HN 0.423 nan 8.290 nan 0.000 0.479 215 P HA 0.304 nan 4.420 nan 0.000 0.269 215 P C 0.882 178.175 177.300 -0.012 0.000 1.263 215 P CA 1.431 64.524 63.100 -0.012 0.000 0.813 215 P CB 0.510 32.202 31.700 -0.013 0.000 0.868 216 G N 2.740 111.532 108.800 -0.014 0.000 2.176 216 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.253 216 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.253 216 G C 0.097 175.000 174.900 0.006 0.000 0.979 216 G CA 0.127 45.215 45.100 -0.020 0.000 0.641 216 G HN 0.616 nan 8.290 nan 0.000 0.530 217 T N 0.395 114.955 114.554 0.010 0.000 2.841 217 T HA 0.611 4.961 4.350 -0.001 0.000 0.283 217 T C -1.176 173.532 174.700 0.013 0.000 1.000 217 T CA -0.197 61.916 62.100 0.021 0.000 0.977 217 T CB 2.343 71.208 68.868 -0.005 0.000 0.979 217 T HN 0.170 nan 8.240 nan 0.000 0.446 218 D N 2.634 123.058 120.400 0.040 0.000 2.634 218 D HA 0.217 4.857 4.640 -0.001 0.000 0.236 218 D C -1.641 174.719 176.300 0.100 0.000 1.323 218 D CA -0.333 53.691 54.000 0.040 0.000 0.884 218 D CB 0.819 41.670 40.800 0.085 0.000 1.496 218 D HN 0.285 nan 8.370 nan 0.000 0.525 219 L N 2.279 123.550 121.223 0.080 0.000 2.365 219 L HA 0.566 4.906 4.340 -0.001 0.000 0.273 219 L C -1.189 175.808 176.870 0.213 0.000 1.000 219 L CA -0.674 54.245 54.840 0.131 0.000 0.819 219 L CB 2.087 44.166 42.059 0.033 0.000 1.284 219 L HN 0.033 nan 8.230 nan 0.000 0.418 220 V N 5.954 125.983 119.914 0.192 0.000 2.239 220 V HA 0.254 4.373 4.120 -0.001 0.000 0.267 220 V C -0.292 175.843 176.094 0.068 0.000 1.056 220 V CA -0.605 61.810 62.300 0.192 0.000 0.830 220 V CB 1.241 33.158 31.823 0.158 0.000 1.090 220 V HN 0.509 nan 8.190 nan 0.000 0.459 221 V N 5.116 125.077 119.914 0.077 0.000 2.381 221 V HA 0.312 4.431 4.120 -0.001 0.000 0.257 221 V C 1.386 177.448 176.094 -0.052 0.000 1.057 221 V CA 0.194 62.477 62.300 -0.030 0.000 1.013 221 V CB 0.435 32.274 31.823 0.028 0.000 1.069 221 V HN 0.799 nan 8.190 nan 0.000 0.484 222 G N 4.932 113.677 108.800 -0.092 0.000 2.712 222 G HA2 0.447 4.406 3.960 -0.001 0.000 0.258 222 G HA3 0.447 4.406 3.960 -0.001 0.000 0.258 222 G C -0.540 174.294 174.900 -0.111 0.000 1.241 222 G CA -0.453 44.553 45.100 -0.156 0.000 0.923 222 G HN 0.566 nan 8.290 nan 0.000 0.548 223 L N -0.427 120.735 121.223 -0.103 0.000 2.388 223 L HA 0.596 4.935 4.340 -0.001 0.000 0.264 223 L C 0.700 177.638 176.870 0.113 0.000 0.998 223 L CA -1.172 53.655 54.840 -0.022 0.000 0.817 223 L CB 2.078 44.115 42.059 -0.036 0.000 1.338 223 L HN 0.709 nan 8.230 nan 0.000 0.414 224 A N 1.390 124.292 122.820 0.137 0.000 2.448 224 A HA 0.137 4.457 4.320 -0.001 0.000 0.239 224 A C 0.087 177.776 177.584 0.176 0.000 1.080 224 A CA -0.018 52.137 52.037 0.197 0.000 0.779 224 A CB 0.134 19.175 19.000 0.068 0.000 1.026 224 A HN 0.767 nan 8.150 nan 0.000 0.499 225 E N -0.159 120.101 120.200 0.099 0.000 2.316 225 E HA 0.364 4.713 4.350 -0.001 0.000 0.275 225 E C 1.041 177.611 176.600 -0.050 0.000 1.029 225 E CA 0.873 57.277 56.400 0.007 0.000 0.871 225 E CB 0.397 30.100 29.700 0.005 0.000 1.022 225 E HN 1.255 nan 8.360 nan 0.000 0.418 226 G N 3.690 112.393 108.800 -0.161 0.000 2.305 226 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.287 226 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.287 226 G C 0.031 174.848 174.900 -0.139 0.000 1.036 226 G CA 0.979 45.976 45.100 -0.172 0.000 0.887 226 G HN 0.825 nan 8.290 nan 0.000 0.505 227 H N -1.664 117.414 119.070 0.013 0.000 2.767 227 H HA 0.628 5.184 4.556 -0.001 0.000 0.380 227 H C 0.266 175.595 175.328 0.002 0.000 1.409 227 H CA -0.470 55.562 56.048 -0.027 0.000 1.463 227 H CB 0.705 30.423 29.762 -0.073 0.000 1.514 227 H HN 0.701 nan 8.280 nan 0.000 0.619 228 L N 0.858 122.215 121.223 0.223 0.000 2.562 228 L HA 0.300 4.639 4.340 -0.001 0.000 0.266 228 L C -1.836 175.062 176.870 0.047 0.000 0.949 228 L CA -0.736 54.221 54.840 0.194 0.000 0.879 228 L CB 0.943 43.071 42.059 0.116 0.000 1.278 228 L HN 0.674 nan 8.230 nan 0.000 0.404 229 W N 4.522 125.826 121.300 0.008 0.000 2.287 229 W HA 0.442 5.101 4.660 -0.001 0.000 0.313 229 W C 0.237 176.621 176.519 -0.224 0.000 1.267 229 W CA 0.074 57.343 57.345 -0.127 0.000 1.201 229 W CB 0.879 30.280 29.460 -0.099 0.000 1.196 229 W HN 0.394 nan 8.180 nan 0.000 0.536 230 Q N 1.481 121.105 119.800 -0.292 0.000 2.297 230 Q HA 0.794 5.134 4.340 -0.001 0.000 0.269 230 Q C -0.070 175.633 176.000 -0.495 0.000 1.051 230 Q CA -0.784 54.753 55.803 -0.443 0.000 0.869 230 Q CB 2.209 30.556 28.738 -0.653 0.000 1.346 230 Q HN 0.713 nan 8.270 nan 0.000 0.457 231 G N -1.055 107.551 108.800 -0.323 0.000 2.341 231 G HA2 0.443 4.403 3.960 -0.001 0.000 0.300 231 G HA3 0.443 4.403 3.960 -0.001 0.000 0.300 231 G C -0.151 174.571 174.900 -0.296 0.000 1.706 231 G CA 0.550 45.521 45.100 -0.216 0.000 0.916 231 G HN 0.849 nan 8.290 nan 0.000 0.716 232 G N 0.400 109.095 108.800 -0.175 0.000 2.520 232 G HA2 0.361 4.321 3.960 -0.001 0.000 0.248 232 G HA3 0.361 4.321 3.960 -0.001 0.000 0.248 232 G C 0.803 175.648 174.900 -0.092 0.000 1.161 232 G CA 1.002 45.979 45.100 -0.206 0.000 0.946 232 G HN 2.509 nan 8.290 nan 0.000 0.565 233 A N 0.078 122.883 122.820 -0.024 0.000 2.401 233 A HA 0.699 5.018 4.320 -0.001 0.000 0.259 233 A C 0.616 178.206 177.584 0.010 0.000 1.103 233 A CA 1.376 53.452 52.037 0.065 0.000 0.789 233 A CB 0.343 19.443 19.000 0.168 0.000 1.035 233 A HN 1.409 nan 8.150 nan 0.000 0.491 234 T N 1.352 115.801 114.554 -0.176 0.000 2.943 234 T HA 0.617 4.967 4.350 -0.001 0.000 0.284 234 T C 0.300 174.779 174.700 -0.369 0.000 1.015 234 T CA 0.239 62.122 62.100 -0.362 0.000 1.042 234 T CB 1.577 69.951 68.868 -0.824 0.000 1.055 234 T HN 1.037 nan 8.240 nan 0.000 0.500 235 A N 1.638 124.253 122.820 -0.343 0.000 2.289 235 A HA 0.583 4.903 4.320 -0.001 0.000 0.298 235 A C 0.215 177.670 177.584 -0.216 0.000 1.208 235 A CA -0.524 51.386 52.037 -0.211 0.000 0.845 235 A CB 0.109 19.043 19.000 -0.109 0.000 1.125 235 A HN 0.712 nan 8.150 nan 0.000 0.517 236 T N 3.159 117.665 114.554 -0.079 0.000 2.801 236 T HA 0.329 4.679 4.350 -0.001 0.000 0.306 236 T C -0.151 174.603 174.700 0.090 0.000 1.020 236 T CA -0.398 61.754 62.100 0.087 0.000 0.948 236 T CB 0.172 69.125 68.868 0.141 0.000 0.962 236 T HN 0.746 nan 8.240 nan 0.000 0.465 237 K N 2.799 123.269 120.400 0.117 0.000 5.423 237 K HA -0.231 4.088 4.320 -0.001 0.000 0.410 237 K C 1.109 177.738 176.600 0.049 0.000 0.929 237 K CA 0.917 57.255 56.287 0.084 0.000 1.129 237 K CB -1.207 31.347 32.500 0.089 0.000 1.934 237 K HN 1.181 nan 8.250 nan 0.000 0.348 238 G N 1.715 110.536 108.800 0.034 0.000 3.675 238 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.275 238 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.275 238 G C 0.204 175.105 174.900 0.002 0.000 1.648 238 G CA 0.047 45.158 45.100 0.018 0.000 1.093 238 G HN 1.289 nan 8.290 nan 0.000 0.617 239 G N 0.040 108.840 108.800 -0.001 0.000 2.845 239 G HA2 0.721 4.681 3.960 -0.001 0.000 0.282 239 G HA3 0.721 4.681 3.960 -0.001 0.000 0.282 239 G C -0.713 174.177 174.900 -0.016 0.000 1.546 239 G CA 0.609 45.699 45.100 -0.017 0.000 1.089 239 G HN 0.810 nan 8.290 nan 0.000 0.558 240 R N 2.796 123.279 120.500 -0.028 0.000 2.725 240 R HA 0.309 4.649 4.340 -0.001 0.000 0.276 240 R C -1.195 175.073 176.300 -0.054 0.000 1.189 240 R CA -0.671 55.415 56.100 -0.023 0.000 1.083 240 R CB 0.972 31.276 30.300 0.007 0.000 1.262 240 R HN 0.366 nan 8.270 nan 0.000 0.415 241 L N 3.398 124.588 121.223 -0.055 0.000 2.456 241 L HA 0.641 4.981 4.340 -0.001 0.000 0.257 241 L C -0.046 176.775 176.870 -0.082 0.000 1.162 241 L CA -0.385 54.412 54.840 -0.072 0.000 0.808 241 L CB 1.161 43.196 42.059 -0.041 0.000 1.136 241 L HN 0.813 nan 8.230 nan 0.000 0.466 242 C N -0.459 118.773 119.300 -0.114 0.000 3.259 242 C HA 0.268 4.727 4.460 -0.001 0.000 0.451 242 C C -1.463 173.420 174.990 -0.177 0.000 0.923 242 C CA -1.147 57.782 59.018 -0.149 0.000 1.168 242 C CB 0.039 27.665 27.740 -0.191 0.000 1.590 242 C HN 0.782 nan 8.230 nan 0.000 0.644 243 N N 4.272 122.897 118.700 -0.125 0.000 2.469 243 N HA 0.267 5.006 4.740 -0.001 0.000 0.239 243 N C -1.785 173.632 175.510 -0.155 0.000 1.053 243 N CA -0.766 52.248 53.050 -0.061 0.000 0.937 243 N CB 2.079 40.618 38.487 0.087 0.000 1.163 243 N HN 0.583 nan 8.380 nan 0.000 0.509 244 P HA -0.098 nan 4.420 nan 0.000 0.214 244 P C -0.276 176.989 177.300 -0.057 0.000 1.163 244 P CA 1.407 64.265 63.100 -0.404 0.000 0.883 244 P CB 0.334 31.864 31.700 -0.283 0.000 0.788 245 N N -0.878 117.866 118.700 0.073 0.000 2.430 245 N HA 0.134 4.874 4.740 -0.001 0.000 0.292 245 N C 0.640 176.276 175.510 0.210 0.000 1.051 245 N CA -0.443 52.705 53.050 0.163 0.000 0.917 245 N CB 0.418 39.020 38.487 0.190 0.000 1.164 245 N HN -0.202 nan 8.380 nan 0.000 0.484 246 L N 3.058 124.414 121.223 0.222 0.000 2.127 246 L HA 0.128 4.468 4.340 -0.001 0.000 0.203 246 L C -0.757 176.382 176.870 0.449 0.000 1.080 246 L CA 1.452 56.456 54.840 0.274 0.000 0.768 246 L CB -1.698 40.474 42.059 0.188 0.000 0.924 246 L HN 0.455 nan 8.230 nan 0.000 0.444 247 P HA -0.076 nan 4.420 nan 0.000 0.217 247 P C 0.072 177.443 177.300 0.119 0.000 1.151 247 P CA 0.554 63.704 63.100 0.084 0.000 0.828 247 P CB -0.071 31.494 31.700 -0.224 0.000 0.788 248 T N 1.610 116.261 114.554 0.163 0.000 2.155 248 T HA -0.171 4.178 4.350 -0.001 0.000 0.227 248 T C 0.713 175.465 174.700 0.087 0.000 1.026 248 T CA 1.056 63.241 62.100 0.142 0.000 1.465 248 T CB -0.213 68.761 68.868 0.178 0.000 1.016 248 T HN 0.293 nan 8.240 nan 0.000 0.405 249 E N 0.530 120.789 120.200 0.099 0.000 2.703 249 E HA 0.050 4.400 4.350 -0.001 0.000 0.214 249 E C 0.671 177.365 176.600 0.157 0.000 0.944 249 E CA -0.017 56.455 56.400 0.120 0.000 1.299 249 E CB 0.609 30.365 29.700 0.092 0.000 1.189 249 E HN 0.939 nan 8.360 nan 0.000 0.597 250 E N 0.966 121.283 120.200 0.196 0.000 2.280 250 E HA 0.487 4.836 4.350 -0.001 0.000 0.261 250 E C 0.089 176.874 176.600 0.308 0.000 1.088 250 E CA -0.903 55.670 56.400 0.288 0.000 0.915 250 E CB 1.988 31.924 29.700 0.394 0.000 1.141 250 E HN -0.136 nan 8.360 nan 0.000 0.433 251 V N -0.750 119.390 119.914 0.377 0.000 2.733 251 V HA 0.797 4.917 4.120 -0.001 0.000 0.306 251 V C -0.903 175.482 176.094 0.484 0.000 1.084 251 V CA -0.843 61.659 62.300 0.336 0.000 0.905 251 V CB 0.504 32.505 31.823 0.297 0.000 1.010 251 V HN 0.838 nan 8.190 nan 0.000 0.424 252 F N 0.698 120.809 119.950 0.268 0.000 2.831 252 F HA 0.984 5.510 4.527 -0.001 0.000 0.318 252 F C -0.526 175.077 175.800 -0.327 0.000 1.174 252 F CA -0.200 57.780 58.000 -0.035 0.000 0.918 252 F CB 1.466 40.429 39.000 -0.062 0.000 1.364 252 F HN 0.890 nan 8.300 nan 0.000 0.475 253 T N -0.303 113.998 114.554 -0.422 0.000 2.733 253 T HA 0.669 5.018 4.350 -0.001 0.000 0.312 253 T C -1.894 172.604 174.700 -0.337 0.000 1.590 253 T CA -0.127 61.654 62.100 -0.532 0.000 1.005 253 T CB 1.074 69.192 68.868 -1.249 0.000 1.528 253 T HN 1.512 nan 8.240 nan 0.000 0.496 254 A N 3.795 126.483 122.820 -0.220 0.000 2.362 254 A HA 0.713 5.033 4.320 -0.001 0.000 0.276 254 A C -2.167 175.296 177.584 -0.201 0.000 1.153 254 A CA -1.220 50.722 52.037 -0.158 0.000 0.813 254 A CB -0.059 18.893 19.000 -0.080 0.000 1.081 254 A HN 0.663 nan 8.150 nan 0.000 0.507 255 P HA 0.072 nan 4.420 nan 0.000 0.302 255 P C -0.687 176.562 177.300 -0.084 0.000 1.301 255 P CA -0.018 62.982 63.100 -0.167 0.000 0.745 255 P CB 0.392 31.967 31.700 -0.209 0.000 1.331 256 H N -1.014 117.969 119.070 -0.146 0.000 2.476 256 H HA 0.267 4.823 4.556 -0.001 0.000 0.328 256 H C 1.661 176.930 175.328 -0.097 0.000 1.073 256 H CA -0.439 55.544 56.048 -0.108 0.000 1.229 256 H CB 0.761 30.476 29.762 -0.077 0.000 1.432 256 H HN 0.262 nan 8.280 nan 0.000 0.477 257 R N 2.913 123.050 120.500 -0.605 0.000 2.189 257 R HA -0.234 4.105 4.340 -0.001 0.000 0.252 257 R C 0.073 176.236 176.300 -0.228 0.000 1.134 257 R CA 2.598 58.461 56.100 -0.396 0.000 0.954 257 R CB 0.088 30.150 30.300 -0.396 0.000 0.890 257 R HN 0.810 nan 8.270 nan 0.000 0.443 258 E N -0.849 119.213 120.200 -0.229 0.000 2.585 258 E HA 0.142 4.492 4.350 -0.001 0.000 0.206 258 E C -0.288 176.422 176.600 0.183 0.000 1.007 258 E CA -0.141 56.292 56.400 0.055 0.000 1.028 258 E CB 0.846 30.609 29.700 0.105 0.000 1.087 258 E HN 0.188 nan 8.360 nan 0.000 0.455 259 R N 1.137 121.749 120.500 0.187 0.000 2.795 259 R HA 0.236 4.575 4.340 -0.001 0.000 0.320 259 R C -0.951 175.361 176.300 0.021 0.000 1.223 259 R CA -0.065 56.117 56.100 0.136 0.000 1.305 259 R CB 1.222 31.607 30.300 0.142 0.000 1.318 259 R HN -0.095 nan 8.270 nan 0.000 0.636 260 V N 1.014 120.924 119.914 -0.007 0.000 2.383 260 V HA 0.240 4.359 4.120 -0.001 0.000 0.264 260 V C -0.100 176.009 176.094 0.024 0.000 1.001 260 V CA -0.696 61.550 62.300 -0.089 0.000 0.828 260 V CB 1.444 33.054 31.823 -0.354 0.000 1.069 260 V HN 0.288 nan 8.190 nan 0.000 0.451 261 E N 2.305 122.558 120.200 0.089 0.000 2.231 261 E HA 0.772 5.121 4.350 -0.001 0.000 0.277 261 E C 0.466 177.173 176.600 0.178 0.000 0.999 261 E CA 0.013 56.509 56.400 0.160 0.000 0.827 261 E CB 2.507 32.287 29.700 0.134 0.000 1.101 261 E HN 0.828 nan 8.360 nan 0.000 0.393 262 G N 0.348 109.287 108.800 0.231 0.000 2.369 262 G HA2 0.115 4.075 3.960 -0.001 0.000 0.293 262 G HA3 0.115 4.075 3.960 -0.001 0.000 0.293 262 G C -1.635 173.429 174.900 0.274 0.000 1.301 262 G CA -0.899 44.335 45.100 0.224 0.000 0.913 262 G HN 0.354 nan 8.290 nan 0.000 0.540 263 V N -0.181 119.878 119.914 0.243 0.000 2.487 263 V HA 0.774 4.894 4.120 -0.001 0.000 0.298 263 V C -0.395 175.858 176.094 0.265 0.000 1.028 263 V CA -0.671 61.806 62.300 0.294 0.000 0.860 263 V CB 1.361 33.331 31.823 0.245 0.000 0.991 263 V HN 1.444 nan 8.190 nan 0.000 0.427 264 V N 6.461 126.584 119.914 0.349 0.000 2.686 264 V HA 0.696 4.815 4.120 -0.001 0.000 0.306 264 V C -0.701 175.623 176.094 0.383 0.000 1.065 264 V CA -0.569 61.878 62.300 0.245 0.000 0.894 264 V CB 2.128 34.027 31.823 0.127 0.000 1.004 264 V HN 0.930 nan 8.190 nan 0.000 0.424 265 R N 4.341 124.987 120.500 0.243 0.000 2.494 265 R HA 0.816 5.155 4.340 -0.001 0.000 0.305 265 R C 0.168 176.606 176.300 0.230 0.000 0.959 265 R CA 0.058 56.336 56.100 0.297 0.000 0.864 265 R CB 1.893 32.282 30.300 0.148 0.000 1.159 265 R HN 1.060 nan 8.270 nan 0.000 0.446 266 A N 1.512 124.568 122.820 0.393 0.000 2.536 266 A HA 0.041 4.361 4.320 -0.001 0.000 0.234 266 A C 0.698 178.362 177.584 0.133 0.000 1.076 266 A CA 0.595 52.829 52.037 0.329 0.000 0.769 266 A CB 0.213 19.446 19.000 0.389 0.000 1.020 266 A HN 0.949 nan 8.150 nan 0.000 0.508 267 S N 0.992 116.739 115.700 0.079 0.000 2.931 267 S HA 0.277 4.746 4.470 -0.001 0.000 0.251 267 S C 0.738 175.347 174.600 0.014 0.000 1.078 267 S CA -0.113 58.100 58.200 0.022 0.000 0.835 267 S CB 0.170 63.359 63.200 -0.018 0.000 0.798 267 S HN 0.709 nan 8.310 nan 0.000 0.495 268 R N 1.570 122.082 120.500 0.020 0.000 2.778 268 R HA 0.655 4.994 4.340 -0.001 0.000 0.277 268 R C -3.056 173.246 176.300 0.002 0.000 0.977 268 R CA -2.171 53.919 56.100 -0.017 0.000 0.950 268 R CB 0.949 31.221 30.300 -0.046 0.000 1.165 268 R HN 0.176 nan 8.270 nan 0.000 0.474 269 P HA -0.002 nan 4.420 nan 0.000 0.271 269 P C -1.319 175.955 177.300 -0.042 0.000 1.233 269 P CA -0.356 62.715 63.100 -0.049 0.000 0.789 269 P CB 0.493 32.131 31.700 -0.104 0.000 0.951 270 L N 1.237 122.454 121.223 -0.010 0.000 2.342 270 L HA 0.635 4.974 4.340 -0.001 0.000 0.276 270 L C -0.600 176.274 176.870 0.007 0.000 0.997 270 L CA -0.780 54.066 54.840 0.010 0.000 0.838 270 L CB 0.574 42.651 42.059 0.030 0.000 1.224 270 L HN 0.352 nan 8.230 nan 0.000 0.416 271 A N 5.307 128.137 122.820 0.016 0.000 2.539 271 A HA 0.417 4.736 4.320 -0.001 0.000 0.306 271 A C -0.260 177.364 177.584 0.067 0.000 1.392 271 A CA -0.308 51.781 52.037 0.087 0.000 1.060 271 A CB -0.382 18.718 19.000 0.166 0.000 1.134 271 A HN 0.727 nan 8.150 nan 0.000 0.542 272 L N 3.468 124.714 121.223 0.040 0.000 2.466 272 L HA 0.492 4.832 4.340 -0.001 0.000 0.248 272 L C 1.050 177.936 176.870 0.026 0.000 1.240 272 L CA 0.901 55.752 54.840 0.019 0.000 1.180 272 L CB -0.285 41.761 42.059 -0.022 0.000 1.413 272 L HN 1.100 nan 8.230 nan 0.000 0.406 273 G N 2.460 111.290 108.800 0.049 0.000 2.363 273 G HA2 0.044 4.004 3.960 -0.001 0.000 0.286 273 G HA3 0.044 4.004 3.960 -0.001 0.000 0.286 273 G C 0.997 175.918 174.900 0.035 0.000 0.975 273 G CA 0.463 45.590 45.100 0.046 0.000 1.309 273 G HN 1.615 nan 8.290 nan 0.000 0.491 274 G N -0.773 108.054 108.800 0.045 0.000 2.729 274 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.216 274 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.216 274 G C 0.821 175.730 174.900 0.016 0.000 1.252 274 G CA 0.651 45.764 45.100 0.022 0.000 0.751 274 G HN 1.909 nan 8.290 nan 0.000 0.527 275 T N 1.961 116.523 114.554 0.013 0.000 2.907 275 T HA 0.535 4.885 4.350 -0.001 0.000 0.298 275 T C -0.105 174.610 174.700 0.026 0.000 1.017 275 T CA 0.073 62.177 62.100 0.006 0.000 1.118 275 T CB 2.315 71.177 68.868 -0.011 0.000 0.948 275 T HN 0.688 nan 8.240 nan 0.000 0.531 276 L N 4.389 125.630 121.223 0.029 0.000 2.262 276 L HA 0.442 4.782 4.340 -0.001 0.000 0.288 276 L C -0.708 176.170 176.870 0.014 0.000 1.035 276 L CA -0.356 54.515 54.840 0.053 0.000 0.820 276 L CB 0.689 42.798 42.059 0.085 0.000 1.204 276 L HN 0.456 nan 8.230 nan 0.000 0.424 277 V N 5.350 125.262 119.914 -0.003 0.000 2.385 277 V HA 0.399 4.518 4.120 -0.001 0.000 0.269 277 V C 0.168 176.250 176.094 -0.020 0.000 1.043 277 V CA -0.506 61.774 62.300 -0.034 0.000 0.906 277 V CB 1.030 32.808 31.823 -0.075 0.000 0.995 277 V HN 0.728 nan 8.190 nan 0.000 0.467 278 E N 2.635 122.825 120.200 -0.015 0.000 2.263 278 E HA 0.568 4.917 4.350 -0.001 0.000 0.264 278 E C 0.965 177.572 176.600 0.012 0.000 0.923 278 E CA -0.246 56.154 56.400 0.000 0.000 0.802 278 E CB 1.843 31.544 29.700 0.002 0.000 1.228 278 E HN 0.862 nan 8.360 nan 0.000 0.417 279 G N 2.301 111.123 108.800 0.036 0.000 2.244 279 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.274 279 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.274 279 G C 0.498 175.454 174.900 0.094 0.000 1.002 279 G CA 0.892 46.030 45.100 0.062 0.000 0.740 279 G HN 0.647 nan 8.290 nan 0.000 0.516 280 I N -0.848 119.757 120.570 0.058 0.000 3.160 280 I HA 0.321 4.490 4.170 -0.001 0.000 0.311 280 I C 0.223 176.439 176.117 0.165 0.000 1.218 280 I CA 0.280 61.574 61.300 -0.010 0.000 1.440 280 I CB 0.298 38.151 38.000 -0.245 0.000 1.310 280 I HN 0.450 nan 8.210 nan 0.000 0.575 281 F N 6.694 126.606 119.950 -0.063 0.000 2.615 281 F HA 0.783 5.309 4.527 -0.001 0.000 0.312 281 F C -1.334 174.460 175.800 -0.010 0.000 1.119 281 F CA -0.416 57.613 58.000 0.048 0.000 0.979 281 F CB 0.986 40.006 39.000 0.034 0.000 1.266 281 F HN 0.716 nan 8.300 nan 0.000 0.444 282 A N 5.534 128.107 122.820 -0.412 0.000 2.475 282 A HA 0.831 5.151 4.320 -0.001 0.000 0.301 282 A C -1.615 175.701 177.584 -0.447 0.000 1.059 282 A CA -0.969 50.660 52.037 -0.682 0.000 0.710 282 A CB 1.853 20.710 19.000 -0.239 0.000 1.288 282 A HN 0.962 nan 8.150 nan 0.000 0.408 283 R N 1.872 122.050 120.500 -0.536 0.000 2.393 283 R HA 0.619 4.959 4.340 -0.001 0.000 0.315 283 R C -1.913 174.232 176.300 -0.258 0.000 0.952 283 R CA -0.340 55.671 56.100 -0.148 0.000 0.842 283 R CB 0.625 30.939 30.300 0.023 0.000 1.163 283 R HN 0.552 nan 8.270 nan 0.000 0.450 284 F N 1.929 121.942 119.950 0.106 0.000 2.422 284 F HA 0.383 4.910 4.527 -0.001 0.000 0.333 284 F C 0.249 176.119 175.800 0.117 0.000 1.095 284 F CA -0.424 57.641 58.000 0.107 0.000 1.038 284 F CB 1.898 40.939 39.000 0.069 0.000 1.156 284 F HN 0.438 nan 8.300 nan 0.000 0.483 285 E N 2.335 122.737 120.200 0.337 0.000 2.265 285 E HA 0.312 4.661 4.350 -0.001 0.000 0.262 285 E C -0.676 176.064 176.600 0.233 0.000 0.889 285 E CA -0.804 55.736 56.400 0.233 0.000 0.789 285 E CB 0.933 30.732 29.700 0.164 0.000 1.221 285 E HN 0.668 nan 8.360 nan 0.000 0.414 286 R N 2.687 123.296 120.500 0.181 0.000 3.405 286 R HA -0.283 4.056 4.340 -0.001 0.000 0.258 286 R C 0.593 177.008 176.300 0.193 0.000 1.030 286 R CA 1.166 57.361 56.100 0.159 0.000 0.691 286 R CB -2.791 27.588 30.300 0.131 0.000 1.093 286 R HN 0.942 nan 8.270 nan 0.000 0.448 287 G N -0.933 107.984 108.800 0.196 0.000 2.234 287 G HA2 -0.379 3.581 3.960 -0.001 0.000 0.260 287 G HA3 -0.379 3.581 3.960 -0.001 0.000 0.260 287 G C 0.003 175.089 174.900 0.309 0.000 0.987 287 G CA 0.422 45.617 45.100 0.158 0.000 0.625 287 G HN 0.535 nan 8.290 nan 0.000 0.532 288 F N 2.113 122.223 119.950 0.267 0.000 2.420 288 F HA 0.660 5.186 4.527 -0.001 0.000 0.342 288 F C 0.720 176.676 175.800 0.259 0.000 1.113 288 F CA -0.285 57.872 58.000 0.262 0.000 1.059 288 F CB 1.472 40.548 39.000 0.127 0.000 1.128 288 F HN 0.319 nan 8.300 nan 0.000 0.475 289 A N 5.897 128.716 122.820 -0.002 0.000 2.666 289 A HA 0.340 4.659 4.320 -0.001 0.000 0.301 289 A C 0.560 178.146 177.584 0.004 0.000 1.470 289 A CA -0.333 51.454 52.037 -0.417 0.000 1.159 289 A CB -0.563 18.165 19.000 -0.454 0.000 1.116 289 A HN 0.756 nan 8.150 nan 0.000 0.548 290 V N 1.761 121.728 119.914 0.089 0.000 3.217 290 V HA 0.021 4.140 4.120 -0.001 0.000 0.264 290 V C 0.907 176.985 176.094 -0.025 0.000 1.135 290 V CA 1.653 64.029 62.300 0.127 0.000 1.142 290 V CB -1.059 30.813 31.823 0.082 0.000 0.754 290 V HN 0.881 nan 8.190 nan 0.000 0.484 291 E N 0.162 120.257 120.200 -0.175 0.000 2.448 291 E HA 0.415 4.764 4.350 -0.001 0.000 0.288 291 E C -1.756 174.565 176.600 -0.464 0.000 0.936 291 E CA -0.207 56.047 56.400 -0.243 0.000 0.809 291 E CB 1.909 31.506 29.700 -0.171 0.000 1.408 291 E HN 0.072 nan 8.360 nan 0.000 0.393 292 V N 4.698 124.380 119.914 -0.387 0.000 2.513 292 V HA 0.670 4.790 4.120 -0.001 0.000 0.299 292 V C 0.061 175.937 176.094 -0.363 0.000 1.035 292 V CA -0.489 61.530 62.300 -0.468 0.000 0.889 292 V CB 1.548 33.106 31.823 -0.441 0.000 0.988 292 V HN 0.629 nan 8.190 nan 0.000 0.440 293 R N 2.770 123.059 120.500 -0.352 0.000 2.795 293 R HA 0.958 5.297 4.340 -0.001 0.000 0.268 293 R C -1.262 174.983 176.300 -0.093 0.000 1.041 293 R CA -1.007 55.004 56.100 -0.149 0.000 0.927 293 R CB 2.328 32.635 30.300 0.012 0.000 1.235 293 R HN 0.811 nan 8.270 nan 0.000 0.463 294 A N 0.350 123.147 122.820 -0.038 0.000 2.582 294 A HA 0.281 4.600 4.320 -0.001 0.000 0.297 294 A C -0.155 177.423 177.584 -0.009 0.000 1.059 294 A CA -0.747 51.274 52.037 -0.027 0.000 0.705 294 A CB 1.450 20.397 19.000 -0.088 0.000 1.279 294 A HN 0.866 nan 8.150 nan 0.000 0.404 295 E N 0.520 120.723 120.200 0.005 0.000 2.160 295 E HA -0.114 4.235 4.350 -0.001 0.000 0.195 295 E C -0.065 176.529 176.600 -0.010 0.000 0.991 295 E CA 1.124 57.525 56.400 0.002 0.000 0.810 295 E CB -0.008 29.696 29.700 0.006 0.000 0.742 295 E HN 0.485 nan 8.360 nan 0.000 0.466 296 K N -1.071 119.318 120.400 -0.019 0.000 2.513 296 K HA 0.384 4.704 4.320 -0.001 0.000 0.251 296 K C -0.221 176.357 176.600 -0.036 0.000 0.939 296 K CA -0.010 56.264 56.287 -0.023 0.000 0.793 296 K CB 2.226 34.718 32.500 -0.014 0.000 1.241 296 K HN 0.129 nan 8.250 nan 0.000 0.431 297 G N 1.895 110.671 108.800 -0.040 0.000 2.137 297 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.237 297 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.237 297 G C 0.749 175.604 174.900 -0.075 0.000 1.002 297 G CA 0.763 45.831 45.100 -0.052 0.000 0.702 297 G HN 0.820 nan 8.290 nan 0.000 0.515 298 E N 0.081 120.237 120.200 -0.073 0.000 2.049 298 E HA -0.213 4.137 4.350 -0.001 0.000 0.198 298 E C 2.041 178.582 176.600 -0.099 0.000 1.007 298 E CA 1.663 58.007 56.400 -0.094 0.000 0.809 298 E CB -0.222 29.435 29.700 -0.072 0.000 0.749 298 E HN 0.738 nan 8.360 nan 0.000 0.450 299 E N -0.151 120.004 120.200 -0.074 0.000 2.068 299 E HA -0.259 4.091 4.350 -0.001 0.000 0.207 299 E C 2.239 178.790 176.600 -0.082 0.000 1.032 299 E CA 2.056 58.414 56.400 -0.070 0.000 0.839 299 E CB -0.151 29.518 29.700 -0.052 0.000 0.758 299 E HN 0.217 nan 8.360 nan 0.000 0.457 300 V N 1.247 121.113 119.914 -0.079 0.000 2.255 300 V HA -0.275 3.845 4.120 -0.001 0.000 0.247 300 V C 2.404 178.428 176.094 -0.116 0.000 1.051 300 V CA 1.797 64.048 62.300 -0.083 0.000 1.018 300 V CB -0.580 31.202 31.823 -0.069 0.000 0.641 300 V HN 0.240 nan 8.190 nan 0.000 0.445 301 L N 0.193 121.328 121.223 -0.148 0.000 2.042 301 L HA -0.164 4.175 4.340 -0.001 0.000 0.210 301 L C 2.632 179.358 176.870 -0.241 0.000 1.076 301 L CA 1.921 56.632 54.840 -0.216 0.000 0.749 301 L CB -0.695 41.203 42.059 -0.268 0.000 0.893 301 L HN 0.180 nan 8.230 nan 0.000 0.432 302 R N -0.849 119.529 120.500 -0.203 0.000 2.105 302 R HA -0.163 4.176 4.340 -0.001 0.000 0.239 302 R C 2.353 178.559 176.300 -0.156 0.000 1.135 302 R CA 1.665 57.650 56.100 -0.192 0.000 0.967 302 R CB -0.353 29.860 30.300 -0.145 0.000 0.861 302 R HN 0.439 nan 8.270 nan 0.000 0.442 303 R N 0.338 120.763 120.500 -0.125 0.000 2.070 303 R HA -0.120 4.220 4.340 -0.001 0.000 0.233 303 R C 2.352 178.589 176.300 -0.105 0.000 1.137 303 R CA 1.182 57.225 56.100 -0.095 0.000 0.945 303 R CB -0.507 29.749 30.300 -0.074 0.000 0.845 303 R HN 0.081 nan 8.270 nan 0.000 0.430 304 L N 0.792 121.941 121.223 -0.124 0.000 2.079 304 L HA -0.171 4.168 4.340 -0.001 0.000 0.210 304 L C 1.928 178.705 176.870 -0.155 0.000 1.081 304 L CA 1.535 56.301 54.840 -0.124 0.000 0.752 304 L CB -0.151 41.827 42.059 -0.135 0.000 0.896 304 L HN 0.180 nan 8.230 nan 0.000 0.433 305 L N -1.336 119.750 121.223 -0.227 0.000 2.591 305 L HA -0.015 4.324 4.340 -0.001 0.000 0.228 305 L C 0.976 177.743 176.870 -0.171 0.000 1.133 305 L CA 0.221 54.895 54.840 -0.277 0.000 0.880 305 L CB -0.209 41.562 42.059 -0.480 0.000 1.033 305 L HN 0.176 nan 8.230 nan 0.000 0.450 306 D N -1.197 119.135 120.400 -0.114 0.000 2.402 306 D HA 0.041 4.680 4.640 -0.001 0.000 0.216 306 D C 1.607 177.887 176.300 -0.032 0.000 1.128 306 D CA 0.204 54.170 54.000 -0.057 0.000 0.833 306 D CB 0.697 41.466 40.800 -0.052 0.000 0.971 306 D HN 0.106 nan 8.370 nan 0.000 0.503 307 T N 0.936 115.465 114.554 -0.041 0.000 2.622 307 T HA -0.141 4.208 4.350 -0.001 0.000 0.266 307 T C 0.732 175.433 174.700 0.002 0.000 1.047 307 T CA 1.597 63.685 62.100 -0.020 0.000 1.159 307 T CB 0.115 68.971 68.868 -0.020 0.000 0.863 307 T HN 0.480 nan 8.240 nan 0.000 0.422 308 D N -1.502 118.904 120.400 0.010 0.000 2.958 308 D HA 0.346 4.985 4.640 -0.001 0.000 0.306 308 D C 0.901 177.237 176.300 0.060 0.000 1.226 308 D CA -0.742 53.279 54.000 0.035 0.000 1.032 308 D CB 0.402 41.224 40.800 0.036 0.000 1.400 308 D HN 0.079 nan 8.370 nan 0.000 0.587 309 E N -0.312 119.942 120.200 0.090 0.000 2.008 309 E HA -0.071 4.278 4.350 -0.001 0.000 0.191 309 E C 2.156 178.804 176.600 0.080 0.000 0.986 309 E CA 1.299 57.792 56.400 0.155 0.000 0.807 309 E CB -0.819 28.985 29.700 0.174 0.000 0.766 309 E HN 0.548 nan 8.360 nan 0.000 0.450 310 G N 0.745 109.582 108.800 0.062 0.000 2.517 310 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.222 310 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.222 310 G C 1.603 176.509 174.900 0.009 0.000 1.109 310 G CA 1.144 46.266 45.100 0.036 0.000 0.746 310 G HN 0.454 nan 8.290 nan 0.000 0.576 311 A N 0.951 123.768 122.820 -0.006 0.000 1.903 311 A HA -0.136 4.184 4.320 -0.001 0.000 0.219 311 A C 2.178 179.724 177.584 -0.063 0.000 1.191 311 A CA 1.521 53.536 52.037 -0.036 0.000 0.638 311 A CB -0.279 18.680 19.000 -0.069 0.000 0.823 311 A HN 0.421 nan 8.150 nan 0.000 0.451 312 R N -0.518 119.867 120.500 -0.192 0.000 2.978 312 R HA 0.307 4.647 4.340 -0.001 0.000 0.298 312 R C -0.238 175.940 176.300 -0.203 0.000 1.296 312 R CA -0.058 55.879 56.100 -0.272 0.000 1.181 312 R CB 0.127 30.040 30.300 -0.646 0.000 1.348 312 R HN 0.383 nan 8.270 nan 0.000 0.585 313 R N 0.128 120.657 120.500 0.048 0.000 2.888 313 R HA 0.484 4.824 4.340 -0.001 0.000 0.264 313 R C -0.734 175.573 176.300 0.011 0.000 1.045 313 R CA -0.971 55.143 56.100 0.024 0.000 0.962 313 R CB 1.710 31.981 30.300 -0.049 0.000 1.210 313 R HN -0.012 nan 8.270 nan 0.000 0.479 314 L N -0.204 120.920 121.223 -0.164 0.000 2.357 314 L HA 0.489 4.829 4.340 -0.001 0.000 0.273 314 L C 1.051 177.819 176.870 -0.169 0.000 1.080 314 L CA -0.118 54.564 54.840 -0.263 0.000 0.803 314 L CB 1.583 43.374 42.059 -0.447 0.000 1.174 314 L HN 0.929 nan 8.230 nan 0.000 0.443 315 G N 1.387 110.101 108.800 -0.143 0.000 4.165 315 G HA2 0.248 4.208 3.960 -0.001 0.000 0.287 315 G HA3 0.248 4.208 3.960 -0.001 0.000 0.287 315 G C -0.297 174.546 174.900 -0.094 0.000 1.019 315 G CA 0.055 45.106 45.100 -0.082 0.000 0.806 315 G HN 0.595 nan 8.290 nan 0.000 0.447 316 E N 0.069 120.171 120.200 -0.164 0.000 2.649 316 E HA 0.340 4.690 4.350 -0.001 0.000 0.308 316 E C -1.973 174.478 176.600 -0.248 0.000 1.017 316 E CA -0.423 55.878 56.400 -0.164 0.000 0.848 316 E CB 2.248 31.869 29.700 -0.131 0.000 1.240 316 E HN -0.052 nan 8.360 nan 0.000 0.421 317 V N 1.936 121.701 119.914 -0.248 0.000 2.540 317 V HA 0.896 5.015 4.120 -0.001 0.000 0.302 317 V C -0.404 175.570 176.094 -0.200 0.000 1.035 317 V CA -0.414 61.731 62.300 -0.257 0.000 0.873 317 V CB 1.365 33.056 31.823 -0.220 0.000 0.992 317 V HN 0.728 nan 8.190 nan 0.000 0.428 318 A N 5.314 127.977 122.820 -0.262 0.000 2.422 318 A HA 0.913 5.232 4.320 -0.001 0.000 0.302 318 A C -1.221 176.350 177.584 -0.021 0.000 1.041 318 A CA -0.572 51.371 52.037 -0.157 0.000 0.708 318 A CB 1.454 20.070 19.000 -0.640 0.000 1.257 318 A HN 0.785 nan 8.150 nan 0.000 0.414 319 L N 2.472 123.793 121.223 0.163 0.000 2.298 319 L HA 0.599 4.938 4.340 -0.001 0.000 0.284 319 L C -1.037 175.867 176.870 0.056 0.000 1.013 319 L CA -0.863 54.011 54.840 0.057 0.000 0.824 319 L CB 1.532 43.593 42.059 0.003 0.000 1.221 319 L HN 0.414 nan 8.230 nan 0.000 0.418 320 V N 4.083 123.984 119.914 -0.022 0.000 2.409 320 V HA 0.317 4.437 4.120 -0.001 0.000 0.290 320 V C -2.110 173.925 176.094 -0.098 0.000 1.017 320 V CA -1.705 60.606 62.300 0.020 0.000 0.841 320 V CB 1.634 33.511 31.823 0.090 0.000 1.003 320 V HN 0.591 nan 8.190 nan 0.000 0.426 321 P HA 0.060 nan 4.420 nan 0.000 0.263 321 P C 0.408 177.667 177.300 -0.069 0.000 1.195 321 P CA 0.125 63.117 63.100 -0.180 0.000 0.762 321 P CB 1.247 32.920 31.700 -0.045 0.000 0.799 322 A N 2.878 125.649 122.820 -0.082 0.000 2.268 322 A HA -0.023 4.297 4.320 -0.001 0.000 0.221 322 A C 0.916 178.488 177.584 -0.021 0.000 1.287 322 A CA 0.436 52.448 52.037 -0.041 0.000 0.902 322 A CB -1.085 17.887 19.000 -0.046 0.000 0.877 322 A HN 0.582 nan 8.150 nan 0.000 0.487 323 D N -1.392 119.001 120.400 -0.013 0.000 2.462 323 D HA 0.063 4.702 4.640 -0.001 0.000 0.221 323 D C 0.174 176.478 176.300 0.006 0.000 1.173 323 D CA -0.311 53.690 54.000 0.001 0.000 0.831 323 D CB -0.566 40.239 40.800 0.008 0.000 1.001 323 D HN 0.473 nan 8.370 nan 0.000 0.499 324 N N -0.369 118.334 118.700 0.006 0.000 2.434 324 N HA 0.273 5.013 4.740 -0.001 0.000 0.266 324 N C -1.840 173.666 175.510 -0.007 0.000 1.223 324 N CA -1.414 51.633 53.050 -0.004 0.000 0.972 324 N CB 1.041 39.532 38.487 0.007 0.000 1.207 324 N HN -0.331 nan 8.380 nan 0.000 0.525 325 P HA -0.109 nan 4.420 nan 0.000 0.213 325 P C 1.096 178.406 177.300 0.016 0.000 1.170 325 P CA 1.524 64.620 63.100 -0.007 0.000 0.898 325 P CB 0.020 31.700 31.700 -0.035 0.000 0.787 326 I N -1.205 119.344 120.570 -0.035 0.000 2.423 326 I HA -0.264 3.905 4.170 -0.001 0.000 0.254 326 I C 2.119 178.300 176.117 0.106 0.000 1.151 326 I CA 1.444 62.736 61.300 -0.013 0.000 1.421 326 I CB -0.671 37.236 38.000 -0.154 0.000 1.079 326 I HN -0.050 nan 8.210 nan 0.000 0.431 327 A N 0.729 123.581 122.820 0.053 0.000 1.935 327 A HA -0.095 4.224 4.320 -0.001 0.000 0.214 327 A C 2.282 179.896 177.584 0.050 0.000 1.178 327 A CA 0.807 52.873 52.037 0.048 0.000 0.640 327 A CB -0.235 18.776 19.000 0.019 0.000 0.825 327 A HN 0.248 nan 8.150 nan 0.000 0.447 328 K N -0.022 120.408 120.400 0.051 0.000 2.209 328 K HA -0.126 4.193 4.320 -0.001 0.000 0.204 328 K C 2.146 178.789 176.600 0.072 0.000 1.048 328 K CA 1.728 58.046 56.287 0.051 0.000 0.940 328 K CB -0.304 32.226 32.500 0.049 0.000 0.729 328 K HN 0.748 nan 8.250 nan 0.000 0.451 329 T N -2.173 112.448 114.554 0.111 0.000 2.857 329 T HA -0.015 4.334 4.350 -0.001 0.000 0.266 329 T C 1.320 176.066 174.700 0.075 0.000 1.048 329 T CA 0.684 62.868 62.100 0.139 0.000 1.139 329 T CB -0.448 68.577 68.868 0.261 0.000 0.874 329 T HN 0.287 nan 8.240 nan 0.000 0.455 330 G N 1.688 110.518 108.800 0.049 0.000 2.370 330 G HA2 -0.089 3.871 3.960 -0.001 0.000 0.295 330 G HA3 -0.089 3.871 3.960 -0.001 0.000 0.295 330 G C -0.376 174.459 174.900 -0.108 0.000 1.045 330 G CA 0.378 45.466 45.100 -0.020 0.000 1.199 330 G HN 0.796 nan 8.290 nan 0.000 0.513 331 L N -1.334 119.754 121.223 -0.225 0.000 2.341 331 L HA 0.793 5.133 4.340 -0.001 0.000 0.254 331 L C 0.055 176.500 176.870 -0.707 0.000 1.040 331 L CA -1.615 52.925 54.840 -0.501 0.000 0.837 331 L CB 2.089 43.712 42.059 -0.726 0.000 1.425 331 L HN -0.039 nan 8.230 nan 0.000 0.414 332 V N 0.735 120.172 119.914 -0.795 0.000 2.357 332 V HA 0.263 4.383 4.120 -0.001 0.000 0.284 332 V C -0.242 175.256 176.094 -0.992 0.000 1.018 332 V CA -0.057 61.708 62.300 -0.892 0.000 0.841 332 V CB 1.107 32.283 31.823 -1.078 0.000 0.991 332 V HN 0.554 nan 8.190 nan 0.000 0.437 333 F N 3.711 123.423 119.950 -0.396 0.000 2.765 333 F HA 0.348 4.875 4.527 -0.001 0.000 0.302 333 F C 1.127 176.836 175.800 -0.151 0.000 1.111 333 F CA -0.802 57.038 58.000 -0.267 0.000 1.359 333 F CB -0.488 38.404 39.000 -0.179 0.000 1.097 333 F HN 0.486 nan 8.300 nan 0.000 0.577 334 F N 0.573 120.464 119.950 -0.098 0.000 3.054 334 F HA -0.327 4.199 4.527 -0.001 0.000 0.264 334 F C 0.102 175.898 175.800 -0.006 0.000 0.956 334 F CA 0.676 58.633 58.000 -0.071 0.000 0.882 334 F CB -1.815 37.108 39.000 -0.128 0.000 0.841 334 F HN 0.096 nan 8.300 nan 0.000 0.720 335 D N -1.067 119.427 120.400 0.156 0.000 2.896 335 D HA 0.387 5.026 4.640 -0.001 0.000 0.241 335 D C 0.943 177.364 176.300 0.201 0.000 1.188 335 D CA 0.127 54.255 54.000 0.213 0.000 0.879 335 D CB 1.329 42.289 40.800 0.267 0.000 1.553 335 D HN 0.005 nan 8.370 nan 0.000 0.515 336 T N 1.809 116.470 114.554 0.179 0.000 2.502 336 T HA -0.270 4.080 4.350 -0.001 0.000 0.258 336 T C 1.991 176.789 174.700 0.164 0.000 1.146 336 T CA 1.216 63.398 62.100 0.136 0.000 1.208 336 T CB -0.627 68.323 68.868 0.136 0.000 0.864 336 T HN 0.401 nan 8.240 nan 0.000 0.402 337 L N 0.346 121.696 121.223 0.211 0.000 2.119 337 L HA -0.213 4.126 4.340 -0.001 0.000 0.226 337 L C 2.235 179.262 176.870 0.261 0.000 1.093 337 L CA 2.004 56.991 54.840 0.245 0.000 0.806 337 L CB -1.240 41.010 42.059 0.319 0.000 0.902 337 L HN 0.314 nan 8.230 nan 0.000 0.444 338 F N -0.277 119.701 119.950 0.046 0.000 2.187 338 F HA -0.098 4.429 4.527 -0.001 0.000 0.295 338 F C 2.458 178.265 175.800 0.011 0.000 1.091 338 F CA 1.597 59.565 58.000 -0.053 0.000 1.308 338 F CB -0.547 38.309 39.000 -0.240 0.000 1.030 338 F HN 0.198 nan 8.300 nan 0.000 0.487 339 D N -0.077 120.454 120.400 0.219 0.000 2.091 339 D HA -0.150 4.490 4.640 -0.001 0.000 0.199 339 D C 2.112 178.389 176.300 -0.038 0.000 0.980 339 D CA 1.085 55.142 54.000 0.096 0.000 0.831 339 D CB -0.359 40.463 40.800 0.038 0.000 0.987 339 D HN 0.339 nan 8.370 nan 0.000 0.460 340 E N 0.563 120.701 120.200 -0.104 0.000 2.136 340 E HA -0.164 4.186 4.350 -0.001 0.000 0.202 340 E C 1.074 177.546 176.600 -0.214 0.000 1.019 340 E CA 0.821 57.013 56.400 -0.346 0.000 0.819 340 E CB -0.023 29.530 29.700 -0.245 0.000 0.739 340 E HN 0.275 nan 8.360 nan 0.000 0.458 341 N N -0.697 117.975 118.700 -0.046 0.000 2.295 341 N HA 0.104 4.843 4.740 -0.001 0.000 0.221 341 N C 0.734 176.244 175.510 -0.001 0.000 1.129 341 N CA 0.100 53.163 53.050 0.021 0.000 0.836 341 N CB 0.863 39.358 38.487 0.012 0.000 1.040 341 N HN 0.077 nan 8.380 nan 0.000 0.494 342 A N 0.774 123.592 122.820 -0.004 0.000 1.861 342 A HA 0.483 4.802 4.320 -0.001 0.000 0.212 342 A C 0.935 178.533 177.584 0.022 0.000 1.199 342 A CA 0.893 52.939 52.037 0.015 0.000 0.613 342 A CB 0.183 19.206 19.000 0.039 0.000 0.846 342 A HN 0.253 nan 8.150 nan 0.000 0.446 343 A N -1.404 121.434 122.820 0.030 0.000 2.606 343 A HA 0.586 4.905 4.320 -0.001 0.000 0.293 343 A C -0.095 177.542 177.584 0.088 0.000 1.082 343 A CA -0.150 51.905 52.037 0.030 0.000 0.685 343 A CB 0.230 19.226 19.000 -0.007 0.000 1.284 343 A HN 0.576 nan 8.150 nan 0.000 0.408 344 S N 2.595 118.323 115.700 0.045 0.000 2.817 344 S HA 0.264 4.733 4.470 -0.001 0.000 0.333 344 S C 0.127 174.735 174.600 0.013 0.000 1.227 344 S CA 0.871 59.091 58.200 0.033 0.000 1.027 344 S CB -0.475 62.726 63.200 0.002 0.000 0.732 344 S HN 0.972 nan 8.310 nan 0.000 0.499 345 H N -0.214 118.762 119.070 -0.156 0.000 2.977 345 H HA 0.789 5.344 4.556 -0.001 0.000 0.350 345 H C -1.292 173.810 175.328 -0.378 0.000 1.238 345 H CA -1.237 54.635 56.048 -0.292 0.000 1.124 345 H CB 1.001 30.642 29.762 -0.201 0.000 1.866 345 H HN 0.466 nan 8.280 nan 0.000 0.550 346 I N 0.608 120.889 120.570 -0.481 0.000 2.785 346 I HA 0.666 4.835 4.170 -0.001 0.000 0.302 346 I C -1.019 174.872 176.117 -0.376 0.000 1.069 346 I CA -0.537 60.433 61.300 -0.550 0.000 1.045 346 I CB 1.852 39.386 38.000 -0.777 0.000 1.236 346 I HN 0.938 nan 8.210 nan 0.000 0.429 347 A N 5.577 128.215 122.820 -0.302 0.000 2.398 347 A HA 0.739 5.058 4.320 -0.001 0.000 0.301 347 A C -1.422 176.049 177.584 -0.189 0.000 1.041 347 A CA -0.408 51.518 52.037 -0.185 0.000 0.711 347 A CB 0.470 19.257 19.000 -0.354 0.000 1.240 347 A HN 0.414 nan 8.150 nan 0.000 0.420 348 F N 1.753 121.695 119.950 -0.014 0.000 2.389 348 F HA 0.612 5.139 4.527 -0.001 0.000 0.337 348 F C 1.353 177.115 175.800 -0.063 0.000 1.112 348 F CA 1.379 59.368 58.000 -0.018 0.000 1.192 348 F CB 1.201 40.195 39.000 -0.011 0.000 1.185 348 F HN 1.283 nan 8.300 nan 0.000 0.552 349 G N 1.420 110.325 108.800 0.174 0.000 2.447 349 G HA2 -0.096 3.863 3.960 -0.001 0.000 0.220 349 G HA3 -0.096 3.863 3.960 -0.001 0.000 0.220 349 G C -0.958 174.023 174.900 0.136 0.000 1.261 349 G CA -1.052 44.130 45.100 0.137 0.000 1.000 349 G HN 0.756 nan 8.290 nan 0.000 0.515 350 Q N 0.240 120.131 119.800 0.152 0.000 2.310 350 Q HA 0.490 4.830 4.340 -0.001 0.000 0.315 350 Q C 0.417 176.463 176.000 0.075 0.000 1.081 350 Q CA 1.263 57.141 55.803 0.124 0.000 0.981 350 Q CB 0.467 29.264 28.738 0.097 0.000 1.184 350 Q HN 1.887 nan 8.270 nan 0.000 0.389 351 A N 4.952 127.838 122.820 0.110 0.000 2.276 351 A HA 0.413 4.733 4.320 -0.001 0.000 0.316 351 A C -1.350 176.346 177.584 0.186 0.000 1.229 351 A CA -0.616 51.457 52.037 0.061 0.000 0.851 351 A CB 0.341 19.388 19.000 0.079 0.000 1.165 351 A HN 0.690 nan 8.150 nan 0.000 0.513 352 Y N 2.135 122.493 120.300 0.096 0.000 2.802 352 Y HA -0.065 4.485 4.550 -0.001 0.000 0.333 352 Y C 2.011 178.027 175.900 0.194 0.000 1.244 352 Y CA 0.684 58.845 58.100 0.102 0.000 1.558 352 Y CB 0.131 38.654 38.460 0.105 0.000 1.233 352 Y HN 0.880 nan 8.280 nan 0.000 0.547 353 Q N 1.518 121.532 119.800 0.357 0.000 2.508 353 Q HA -0.180 4.160 4.340 -0.001 0.000 0.214 353 Q C 0.349 176.513 176.000 0.274 0.000 0.979 353 Q CA 1.666 57.684 55.803 0.358 0.000 0.911 353 Q CB -0.310 28.536 28.738 0.180 0.000 0.969 353 Q HN 0.826 nan 8.270 nan 0.000 0.504 354 E N 0.380 120.732 120.200 0.253 0.000 2.516 354 E HA -0.028 4.321 4.350 -0.001 0.000 0.199 354 E C 0.643 177.354 176.600 0.185 0.000 1.069 354 E CA 0.291 56.812 56.400 0.203 0.000 0.876 354 E CB 0.019 29.842 29.700 0.205 0.000 0.843 354 E HN 0.416 nan 8.360 nan 0.000 0.530 355 N N 0.465 119.287 118.700 0.204 0.000 2.220 355 N HA 0.122 4.862 4.740 -0.001 0.000 0.195 355 N C -0.220 175.345 175.510 0.091 0.000 1.123 355 N CA 0.175 53.299 53.050 0.124 0.000 0.874 355 N CB 0.875 39.437 38.487 0.124 0.000 0.995 355 N HN 0.175 nan 8.380 nan 0.000 0.498 356 L N 1.882 123.179 121.223 0.124 0.000 2.262 356 L HA 0.257 4.597 4.340 -0.001 0.000 0.288 356 L C 0.649 177.575 176.870 0.094 0.000 1.035 356 L CA -0.458 54.436 54.840 0.090 0.000 0.820 356 L CB 1.357 43.468 42.059 0.087 0.000 1.204 356 L HN -0.010 nan 8.230 nan 0.000 0.424 357 E N 3.317 123.557 120.200 0.067 0.000 2.558 357 E HA 0.282 4.631 4.350 -0.001 0.000 0.255 357 E C 0.515 177.150 176.600 0.057 0.000 0.968 357 E CA 0.875 57.310 56.400 0.057 0.000 0.939 357 E CB 0.476 30.196 29.700 0.033 0.000 0.921 357 E HN 0.805 nan 8.360 nan 0.000 0.477 363 E N 0.255 120.514 120.200 0.099 0.000 2.290 363 E HA 0.351 4.701 4.350 -0.001 0.000 0.197 363 E C 2.369 179.044 176.600 0.125 0.000 0.948 363 E CA 0.533 56.994 56.400 0.103 0.000 0.895 363 E CB 0.548 30.288 29.700 0.068 0.000 0.865 363 E HN 0.344 nan 8.360 nan 0.000 0.486 364 A N 0.294 123.191 122.820 0.129 0.000 2.235 364 A HA -0.044 4.276 4.320 -0.001 0.000 0.208 364 A C 1.556 179.238 177.584 0.163 0.000 1.172 364 A CA 0.326 52.434 52.037 0.120 0.000 0.786 364 A CB -0.424 18.635 19.000 0.098 0.000 0.804 364 A HN 0.254 nan 8.150 nan 0.000 0.479 365 F N 0.360 120.331 119.950 0.036 0.000 2.147 365 F HA 0.046 4.573 4.527 -0.001 0.000 0.291 365 F C 2.183 178.002 175.800 0.031 0.000 1.093 365 F CA 1.486 59.508 58.000 0.036 0.000 1.263 365 F CB -0.098 38.922 39.000 0.033 0.000 1.036 365 F HN 0.210 nan 8.300 nan 0.000 0.481 366 R N 0.437 121.070 120.500 0.221 0.000 2.285 366 R HA -0.094 4.246 4.340 -0.001 0.000 0.213 366 R C 1.701 178.019 176.300 0.031 0.000 1.068 366 R CA 1.049 57.208 56.100 0.099 0.000 1.004 366 R CB -0.063 30.320 30.300 0.137 0.000 0.873 366 R HN 0.294 nan 8.270 nan 0.000 0.467 367 K N -0.605 119.824 120.400 0.048 0.000 2.214 367 K HA 0.029 4.348 4.320 -0.001 0.000 0.201 367 K C 1.962 178.600 176.600 0.064 0.000 1.049 367 K CA 0.276 56.598 56.287 0.058 0.000 0.978 367 K CB 0.119 32.658 32.500 0.064 0.000 0.842 367 K HN 0.002 nan 8.250 nan 0.000 0.474 368 R N -0.112 120.399 120.500 0.018 0.000 2.280 368 R HA -0.079 4.261 4.340 -0.001 0.000 0.207 368 R C 0.536 176.873 176.300 0.060 0.000 1.043 368 R CA 1.172 57.283 56.100 0.019 0.000 1.006 368 R CB 0.226 30.505 30.300 -0.035 0.000 0.885 368 R HN 0.431 nan 8.270 nan 0.000 0.467 369 G N -1.415 107.351 108.800 -0.057 0.000 2.205 369 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.180 369 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.180 369 G C 0.209 174.865 174.900 -0.405 0.000 1.004 369 G CA -0.370 44.577 45.100 -0.256 0.000 0.670 369 G HN 0.540 nan 8.290 nan 0.000 0.496 370 G N 0.029 108.477 108.800 -0.587 0.000 2.441 370 G HA2 0.421 4.381 3.960 -0.001 0.000 0.243 370 G HA3 0.421 4.381 3.960 -0.001 0.000 0.243 370 G C -0.106 174.619 174.900 -0.291 0.000 1.281 370 G CA 0.449 45.021 45.100 -0.880 0.000 0.854 370 G HN 0.519 nan 8.290 nan 0.000 0.560 371 N N -0.071 118.587 118.700 -0.069 0.000 2.430 371 N HA 0.306 5.045 4.740 -0.001 0.000 0.292 371 N C -0.643 174.995 175.510 0.213 0.000 1.051 371 N CA -0.594 52.488 53.050 0.053 0.000 0.917 371 N CB 1.573 40.054 38.487 -0.009 0.000 1.164 371 N HN 0.572 nan 8.380 nan 0.000 0.484 372 E N 2.375 122.682 120.200 0.178 0.000 2.176 372 E HA 0.568 4.918 4.350 -0.001 0.000 0.267 372 E C -1.489 175.169 176.600 0.097 0.000 0.893 372 E CA -0.537 55.957 56.400 0.155 0.000 0.761 372 E CB 0.960 30.746 29.700 0.143 0.000 1.133 372 E HN 0.503 nan 8.360 nan 0.000 0.409 373 S N 3.220 118.970 115.700 0.084 0.000 2.655 373 S HA 0.252 4.722 4.470 -0.001 0.000 0.266 373 S C -0.098 174.539 174.600 0.061 0.000 1.149 373 S CA -0.622 57.617 58.200 0.066 0.000 0.818 373 S CB 0.710 63.950 63.200 0.067 0.000 1.130 373 S HN 0.603 nan 8.310 nan 0.000 0.476 374 L N 1.458 122.710 121.223 0.050 0.000 2.202 374 L HA 0.267 4.606 4.340 -0.001 0.000 0.205 374 L C 0.577 177.484 176.870 0.062 0.000 1.083 374 L CA 0.742 55.609 54.840 0.046 0.000 0.790 374 L CB 0.166 42.242 42.059 0.029 0.000 0.942 374 L HN 0.602 nan 8.230 nan 0.000 0.452 375 V N -3.219 116.733 119.914 0.064 0.000 2.617 375 V HA 0.368 4.487 4.120 -0.001 0.000 0.298 375 V C -0.817 175.365 176.094 0.145 0.000 1.048 375 V CA -0.659 61.688 62.300 0.080 0.000 0.964 375 V CB 1.431 33.270 31.823 0.027 0.000 1.004 375 V HN 0.142 nan 8.190 nan 0.000 0.466 376 H N 2.143 121.238 119.070 0.040 0.000 2.917 376 H HA 0.663 5.218 4.556 -0.001 0.000 0.279 376 H C -1.331 174.037 175.328 0.066 0.000 1.211 376 H CA -0.293 55.775 56.048 0.034 0.000 1.534 376 H CB 1.197 30.959 29.762 -0.000 0.000 1.581 376 H HN 0.684 nan 8.280 nan 0.000 0.510 377 V N 4.852 124.713 119.914 -0.089 0.000 2.370 377 V HA 0.240 4.359 4.120 -0.001 0.000 0.279 377 V C -0.250 175.867 176.094 0.037 0.000 1.029 377 V CA -0.615 61.686 62.300 0.001 0.000 0.870 377 V CB 1.389 33.240 31.823 0.047 0.000 0.984 377 V HN 0.738 nan 8.190 nan 0.000 0.451 378 D N 5.759 126.183 120.400 0.039 0.000 2.303 378 D HA 0.375 5.014 4.640 -0.001 0.000 0.236 378 D C -0.827 175.623 176.300 0.250 0.000 1.068 378 D CA -0.143 53.913 54.000 0.094 0.000 0.830 378 D CB 1.885 42.669 40.800 -0.028 0.000 1.109 378 D HN 0.634 nan 8.370 nan 0.000 0.496 379 W N 1.284 122.581 121.300 -0.005 0.000 2.819 379 W HA 0.534 5.194 4.660 -0.001 0.000 0.337 379 W C -1.132 175.387 176.519 -0.000 0.000 1.077 379 W CA -1.326 56.017 57.345 -0.002 0.000 1.226 379 W CB 0.153 29.639 29.460 0.044 0.000 1.419 379 W HN 0.020 nan 8.180 nan 0.000 0.502 380 M N 4.112 123.742 119.600 0.050 0.000 2.250 380 M HA 0.265 4.745 4.480 -0.001 0.000 0.344 380 M C 1.126 177.312 176.300 -0.190 0.000 1.150 380 M CA -0.499 54.749 55.300 -0.087 0.000 1.147 380 M CB 0.869 33.450 32.600 -0.032 0.000 1.498 380 M HN 0.542 nan 8.290 nan 0.000 0.461 381 I N -1.756 118.643 120.570 -0.285 0.000 4.774 381 I HA 0.463 4.632 4.170 -0.001 0.000 0.330 381 I C 0.899 176.910 176.117 -0.177 0.000 1.287 381 I CA -0.378 60.741 61.300 -0.301 0.000 1.311 381 I CB -0.074 37.590 38.000 -0.558 0.000 1.315 381 I HN 0.610 nan 8.210 nan 0.000 0.459 382 G N 2.205 110.923 108.800 -0.137 0.000 2.554 382 G HA2 0.420 4.380 3.960 -0.001 0.000 0.238 382 G HA3 0.420 4.380 3.960 -0.001 0.000 0.238 382 G C -0.141 174.726 174.900 -0.055 0.000 1.259 382 G CA 0.739 45.798 45.100 -0.068 0.000 0.843 382 G HN 0.643 nan 8.290 nan 0.000 0.582 383 S N -0.341 115.330 115.700 -0.048 0.000 2.757 383 S HA 0.323 4.793 4.470 -0.001 0.000 0.285 383 S C 0.572 175.145 174.600 -0.044 0.000 1.196 383 S CA -0.261 57.914 58.200 -0.041 0.000 0.856 383 S CB 1.341 64.521 63.200 -0.034 0.000 1.212 383 S HN 0.527 nan 8.310 nan 0.000 0.516 384 E N 0.078 120.257 120.200 -0.035 0.000 2.427 384 E HA 0.071 4.420 4.350 -0.001 0.000 0.196 384 E C 0.346 176.925 176.600 -0.035 0.000 1.028 384 E CA 0.679 57.058 56.400 -0.035 0.000 0.864 384 E CB 0.050 29.735 29.700 -0.024 0.000 0.813 384 E HN 0.611 nan 8.360 nan 0.000 0.514 385 E N 0.030 120.210 120.200 -0.033 0.000 2.789 385 E HA 0.081 4.431 4.350 -0.001 0.000 0.208 385 E C -0.680 175.900 176.600 -0.034 0.000 0.988 385 E CA -0.307 56.074 56.400 -0.031 0.000 1.092 385 E CB 0.587 30.273 29.700 -0.022 0.000 1.066 385 E HN 0.082 nan 8.360 nan 0.000 0.465 386 M N 2.466 122.040 119.600 -0.043 0.000 2.063 386 M HA 0.194 4.673 4.480 -0.001 0.000 0.348 386 M C -1.152 175.108 176.300 -0.068 0.000 1.180 386 M CA -0.421 54.856 55.300 -0.039 0.000 1.059 386 M CB 0.356 32.942 32.600 -0.024 0.000 1.544 386 M HN -0.208 nan 8.290 nan 0.000 0.447 387 D N 4.052 124.410 120.400 -0.070 0.000 2.210 387 D HA 0.506 5.145 4.640 -0.001 0.000 0.249 387 D C -0.903 175.303 176.300 -0.156 0.000 1.062 387 D CA -0.064 53.879 54.000 -0.095 0.000 0.891 387 D CB 1.757 42.522 40.800 -0.059 0.000 1.186 387 D HN 0.394 nan 8.370 nan 0.000 0.432 388 V N 2.678 122.470 119.914 -0.204 0.000 2.577 388 V HA 0.268 4.387 4.120 -0.001 0.000 0.303 388 V C -0.355 175.609 176.094 -0.217 0.000 1.042 388 V CA -0.853 61.247 62.300 -0.334 0.000 0.872 388 V CB 2.361 33.874 31.823 -0.517 0.000 0.998 388 V HN 0.428 nan 8.190 nan 0.000 0.423 389 D N 2.393 122.697 120.400 -0.160 0.000 2.414 389 D HA 0.688 5.327 4.640 -0.001 0.000 0.241 389 D C -0.048 176.204 176.300 -0.081 0.000 1.008 389 D CA -0.211 53.770 54.000 -0.031 0.000 1.001 389 D CB 2.734 43.589 40.800 0.092 0.000 1.277 389 D HN 0.756 nan 8.370 nan 0.000 0.538 390 G N 0.464 109.290 108.800 0.043 0.000 2.609 390 G HA2 0.579 4.538 3.960 -0.001 0.000 0.308 390 G HA3 0.579 4.538 3.960 -0.001 0.000 0.308 390 G C -0.667 174.504 174.900 0.452 0.000 1.369 390 G CA -0.497 44.626 45.100 0.037 0.000 0.958 390 G HN 0.263 nan 8.290 nan 0.000 0.499 391 L N 1.375 122.815 121.223 0.360 0.000 2.334 391 L HA 0.549 4.888 4.340 -0.001 0.000 0.275 391 L C -0.378 176.651 176.870 0.265 0.000 1.036 391 L CA -1.133 53.892 54.840 0.310 0.000 0.807 391 L CB 1.186 43.363 42.059 0.197 0.000 1.231 391 L HN 0.416 nan 8.230 nan 0.000 0.438 392 Y N -0.255 120.109 120.300 0.106 0.000 2.418 392 Y HA 0.094 4.643 4.550 -0.001 0.000 0.327 392 Y C 1.396 177.334 175.900 0.063 0.000 1.309 392 Y CA -0.413 57.704 58.100 0.028 0.000 1.423 392 Y CB 0.627 39.042 38.460 -0.074 0.000 1.423 392 Y HN 0.619 nan 8.280 nan 0.000 0.532 393 E N 0.192 120.471 120.200 0.132 0.000 2.338 393 E HA -0.201 4.148 4.350 -0.001 0.000 0.197 393 E C 0.547 177.135 176.600 -0.020 0.000 1.007 393 E CA 1.513 57.853 56.400 -0.099 0.000 0.849 393 E CB 0.004 29.541 29.700 -0.272 0.000 0.774 393 E HN 0.821 nan 8.360 nan 0.000 0.506 394 D N -2.210 118.210 120.400 0.034 0.000 2.346 394 D HA 0.082 4.721 4.640 -0.001 0.000 0.206 394 D C 1.325 177.643 176.300 0.031 0.000 1.001 394 D CA 0.806 54.811 54.000 0.008 0.000 0.871 394 D CB 0.535 41.319 40.800 -0.027 0.000 0.943 394 D HN 0.218 nan 8.370 nan 0.000 0.518 395 G N -0.736 108.113 108.800 0.081 0.000 2.316 395 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.203 395 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.203 395 G C 0.434 175.383 174.900 0.081 0.000 0.999 395 G CA -0.031 45.114 45.100 0.074 0.000 0.649 395 G HN 0.369 nan 8.290 nan 0.000 0.489 396 T N 2.692 117.280 114.554 0.056 0.000 2.908 396 T HA 0.422 4.772 4.350 -0.001 0.000 0.301 396 T C 0.601 175.411 174.700 0.183 0.000 1.019 396 T CA 0.849 62.964 62.100 0.025 0.000 1.152 396 T CB 0.373 69.141 68.868 -0.167 0.000 0.966 396 T HN 0.791 nan 8.240 nan 0.000 0.540 397 R N 0.941 121.532 120.500 0.150 0.000 2.437 397 R HA 0.582 4.922 4.340 -0.001 0.000 0.310 397 R C -0.997 175.436 176.300 0.222 0.000 0.955 397 R CA -0.926 55.305 56.100 0.219 0.000 0.851 397 R CB 0.689 31.071 30.300 0.137 0.000 1.161 397 R HN 0.471 nan 8.270 nan 0.000 0.446 398 T N 2.322 117.072 114.554 0.327 0.000 2.749 398 T HA 0.344 4.693 4.350 -0.001 0.000 0.287 398 T C -2.197 172.648 174.700 0.242 0.000 0.970 398 T CA -1.950 60.329 62.100 0.299 0.000 0.980 398 T CB 1.319 70.431 68.868 0.407 0.000 0.924 398 T HN 0.493 nan 8.240 nan 0.000 0.456 399 P HA 0.184 nan 4.420 nan 0.000 0.267 399 P C -0.012 177.366 177.300 0.130 0.000 1.205 399 P CA -0.282 62.885 63.100 0.110 0.000 0.765 399 P CB 1.261 33.009 31.700 0.081 0.000 0.828 400 L N 2.076 123.336 121.223 0.062 0.000 2.515 400 L HA 0.308 4.648 4.340 -0.001 0.000 0.202 400 L C 1.260 178.151 176.870 0.036 0.000 1.056 400 L CA 0.715 55.609 54.840 0.091 0.000 0.847 400 L CB 0.128 42.160 42.059 -0.044 0.000 1.131 400 L HN 0.353 nan 8.230 nan 0.000 0.484 401 M N -0.647 118.888 119.600 -0.108 0.000 2.501 401 M HA 0.476 4.955 4.480 -0.001 0.000 0.293 401 M C -1.363 174.866 176.300 -0.118 0.000 1.192 401 M CA -0.571 54.623 55.300 -0.176 0.000 0.886 401 M CB 2.958 35.332 32.600 -0.376 0.000 1.710 401 M HN -0.161 nan 8.290 nan 0.000 0.457 402 R N 1.238 121.682 120.500 -0.092 0.000 2.604 402 R HA 0.480 4.819 4.340 -0.001 0.000 0.281 402 R C -0.625 175.638 176.300 -0.062 0.000 1.020 402 R CA -0.772 55.292 56.100 -0.061 0.000 0.899 402 R CB 1.867 32.152 30.300 -0.025 0.000 1.205 402 R HN 0.765 nan 8.270 nan 0.000 0.450 403 R N 0.889 121.356 120.500 -0.054 0.000 3.484 403 R HA -0.300 4.039 4.340 -0.001 0.000 0.260 403 R C 0.678 176.940 176.300 -0.063 0.000 1.053 403 R CA 1.131 57.203 56.100 -0.047 0.000 0.703 403 R CB -1.423 28.859 30.300 -0.030 0.000 1.089 403 R HN 1.170 nan 8.270 nan 0.000 0.459 404 G N -0.841 107.902 108.800 -0.097 0.000 2.253 404 G HA2 -0.363 3.597 3.960 -0.001 0.000 0.251 404 G HA3 -0.363 3.597 3.960 -0.001 0.000 0.251 404 G C 0.221 175.016 174.900 -0.175 0.000 0.998 404 G CA 0.575 45.597 45.100 -0.130 0.000 0.621 404 G HN 0.420 nan 8.290 nan 0.000 0.524 405 R N -0.843 119.581 120.500 -0.127 0.000 2.573 405 R HA 0.509 4.849 4.340 -0.001 0.000 0.272 405 R C -0.274 175.973 176.300 -0.089 0.000 1.009 405 R CA -0.781 55.262 56.100 -0.095 0.000 1.059 405 R CB 0.849 31.144 30.300 -0.009 0.000 1.112 405 R HN 0.208 nan 8.270 nan 0.000 0.517 406 W N 0.435 121.706 121.300 -0.048 0.000 2.170 406 W HA 0.113 4.773 4.660 -0.001 0.000 0.336 406 W C 0.921 177.400 176.519 -0.066 0.000 1.283 406 W CA -0.370 56.935 57.345 -0.066 0.000 1.224 406 W CB 0.674 30.086 29.460 -0.080 0.000 1.132 406 W HN 0.286 nan 8.180 nan 0.000 0.571 407 V N 3.312 123.371 119.914 0.242 0.000 3.645 407 V HA 0.030 4.149 4.120 -0.001 0.000 0.275 407 V C 0.550 176.671 176.094 0.046 0.000 1.356 407 V CA -0.093 62.273 62.300 0.109 0.000 1.051 407 V CB -0.799 31.068 31.823 0.074 0.000 0.828 407 V HN 0.604 nan 8.190 nan 0.000 0.441 408 V N 0.000 119.943 119.914 0.048 0.000 2.409 408 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 408 V CA 0.000 62.162 62.300 -0.230 0.000 1.235 408 V CB 0.000 31.640 31.823 -0.306 0.000 1.184 408 V HN 0.000 nan 8.190 nan 0.000 0.556