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 2ctz_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRFETLQLHA GYEPEPTTLS RQVPIYPTTS YVFKSPEHAA NLFALKEFGN DATA SEQUENCE IYSRIMNPTV DVLEKRLAAL EGGKAALATA SGHAAQFLAL TTLAQAGDNI DATA SEQUENCE VSTPNLYGGT FNQFKVTLKR LGIEVRFTSR EERPEEFLAL TDEKTRAWWV DATA SEQUENCE ESIGNPALNI PDLEALAQAA REKGVALIVD NTFGMGGYLL RPLAWGAALV DATA SEQUENCE THSLTKWVGG HGAVIAGAIV DGGNFPWEGG RYPLLTEPQP GYHGLRLTEA DATA SEQUENCE FGELAFIVKA RVDGLRDQGQ ALGPFEAWVV LLGMETLSLR AERHVENTLH DATA SEQUENCE LAHWLLEQPQ VAWVNYPGLP HHPHHDRAQK YFKGKPGAVL TFGLKGGYEA DATA SEQUENCE AKRFISRLKL ISHLANVGDT RTLAIHPAST THSQLSPEEQ AQAGVSPEMV DATA SEQUENCE RLSVGLEHVE DLKAELKEAL A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.355 176.300 0.091 0.000 1.140 1 M CA 0.000 55.348 55.300 0.079 0.000 0.988 1 M CB 0.000 32.629 32.600 0.048 0.000 1.302 2 R N -1.797 118.785 120.500 0.136 0.000 1.569 2 R HA -0.058 4.282 4.340 -0.000 0.000 0.032 2 R C 0.823 177.228 176.300 0.174 0.000 0.811 2 R CA 0.484 56.659 56.100 0.124 0.000 3.393 2 R CB -0.618 29.732 30.300 0.083 0.000 0.779 2 R HN 0.314 nan 8.270 nan 0.000 0.572 3 F N 3.226 123.234 119.950 0.096 0.000 2.085 3 F HA -0.248 4.279 4.527 -0.000 0.000 0.299 3 F C 1.757 177.625 175.800 0.113 0.000 1.096 3 F CA 2.617 60.694 58.000 0.129 0.000 1.227 3 F CB 0.086 39.216 39.000 0.218 0.000 0.983 3 F HN 0.096 nan 8.300 nan 0.000 0.482 4 E N -0.978 119.471 120.200 0.414 0.000 2.267 4 E HA -0.201 4.149 4.350 -0.000 0.000 0.197 4 E C 2.238 178.933 176.600 0.157 0.000 0.998 4 E CA 1.761 58.318 56.400 0.261 0.000 0.830 4 E CB -0.444 29.372 29.700 0.193 0.000 0.751 4 E HN 0.582 nan 8.360 nan 0.000 0.491 5 T N -1.824 112.812 114.554 0.135 0.000 3.033 5 T HA 0.088 4.438 4.350 -0.000 0.000 0.248 5 T C 1.844 176.628 174.700 0.139 0.000 1.040 5 T CA -0.033 62.160 62.100 0.156 0.000 1.133 5 T CB -0.202 68.741 68.868 0.125 0.000 0.895 5 T HN 0.066 nan 8.240 nan 0.000 0.465 6 L N 1.736 122.973 121.223 0.024 0.000 2.051 6 L HA -0.187 4.153 4.340 -0.000 0.000 0.214 6 L C 3.081 179.886 176.870 -0.109 0.000 1.076 6 L CA 2.328 57.129 54.840 -0.066 0.000 0.758 6 L CB -0.760 41.177 42.059 -0.203 0.000 0.890 6 L HN 0.568 nan 8.230 nan 0.000 0.433 7 Q N -0.838 118.863 119.800 -0.165 0.000 2.488 7 Q HA -0.153 4.187 4.340 -0.000 0.000 0.211 7 Q C 1.548 177.498 176.000 -0.084 0.000 0.967 7 Q CA 0.935 56.648 55.803 -0.149 0.000 0.926 7 Q CB 0.126 28.818 28.738 -0.078 0.000 0.992 7 Q HN 0.368 nan 8.270 nan 0.000 0.506 8 L N -0.756 120.423 121.223 -0.073 0.000 2.609 8 L HA 0.190 4.530 4.340 -0.000 0.000 0.230 8 L C 1.350 178.023 176.870 -0.329 0.000 1.087 8 L CA 0.829 55.548 54.840 -0.201 0.000 0.874 8 L CB 0.132 42.045 42.059 -0.243 0.000 1.114 8 L HN 0.316 nan 8.230 nan 0.000 0.488 9 H N -1.829 117.248 119.070 0.012 0.000 3.207 9 H HA 0.402 4.957 4.556 -0.000 0.000 0.237 9 H C 0.780 176.134 175.328 0.044 0.000 0.959 9 H CA 0.389 56.463 56.048 0.043 0.000 1.091 9 H CB 0.624 30.401 29.762 0.025 0.000 1.447 9 H HN 0.092 nan 8.280 nan 0.000 0.477 10 A N 0.852 123.746 122.820 0.124 0.000 2.540 10 A HA 0.385 4.705 4.320 -0.000 0.000 0.239 10 A C 1.505 179.142 177.584 0.089 0.000 1.061 10 A CA 1.233 53.314 52.037 0.073 0.000 0.758 10 A CB -0.400 18.604 19.000 0.007 0.000 0.991 10 A HN 0.673 nan 8.150 nan 0.000 0.502 11 G N -0.264 108.595 108.800 0.097 0.000 2.195 11 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.246 11 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.246 11 G C -0.119 174.905 174.900 0.207 0.000 0.984 11 G CA 0.718 45.888 45.100 0.117 0.000 0.633 11 G HN 2.037 nan 8.290 nan 0.000 0.525 12 Y N 1.053 121.385 120.300 0.053 0.000 2.401 12 Y HA 0.641 5.191 4.550 -0.000 0.000 0.330 12 Y C -1.148 174.796 175.900 0.074 0.000 1.071 12 Y CA -1.285 56.853 58.100 0.064 0.000 1.049 12 Y CB 1.631 40.127 38.460 0.060 0.000 1.239 12 Y HN 0.036 nan 8.280 nan 0.000 0.437 13 E N 6.820 126.681 120.200 -0.565 0.000 2.195 13 E HA 0.383 4.733 4.350 -0.000 0.000 0.271 13 E C -2.716 173.289 176.600 -0.991 0.000 0.923 13 E CA -2.434 53.643 56.400 -0.538 0.000 0.790 13 E CB 1.549 31.110 29.700 -0.232 0.000 1.155 13 E HN 0.456 nan 8.360 nan 0.000 0.402 14 P HA -0.114 nan 4.420 nan 0.000 0.258 14 P C 0.037 177.213 177.300 -0.207 0.000 1.172 14 P CA 0.483 63.369 63.100 -0.356 0.000 0.762 14 P CB 0.302 31.959 31.700 -0.072 0.000 0.764 15 E N 6.211 126.393 120.200 -0.031 0.000 2.652 15 E HA -0.126 4.224 4.350 -0.000 0.000 0.255 15 E C -1.407 175.221 176.600 0.047 0.000 0.952 15 E CA -0.980 55.470 56.400 0.083 0.000 0.947 15 E CB 0.343 30.187 29.700 0.240 0.000 0.912 15 E HN 0.298 nan 8.360 nan 0.000 0.489 16 P HA -0.118 nan 4.420 nan 0.000 0.218 16 P C 1.031 178.351 177.300 0.033 0.000 1.148 16 P CA 1.156 64.268 63.100 0.020 0.000 0.822 16 P CB 0.242 31.952 31.700 0.016 0.000 0.784 17 T N -1.600 112.983 114.554 0.049 0.000 2.821 17 T HA -0.085 4.265 4.350 -0.000 0.000 0.267 17 T C 1.630 176.353 174.700 0.037 0.000 1.046 17 T CA 2.110 64.236 62.100 0.043 0.000 1.139 17 T CB -0.664 68.236 68.868 0.054 0.000 0.871 17 T HN 0.326 nan 8.240 nan 0.000 0.454 18 T N -1.153 113.428 114.554 0.046 0.000 2.958 18 T HA 0.336 4.686 4.350 -0.000 0.000 0.256 18 T C 1.088 175.813 174.700 0.042 0.000 0.983 18 T CA -0.244 61.879 62.100 0.037 0.000 0.924 18 T CB -0.195 68.693 68.868 0.033 0.000 1.136 18 T HN 0.285 nan 8.240 nan 0.000 0.506 19 L N 1.463 122.717 121.223 0.051 0.000 4.001 19 L HA -0.188 4.152 4.340 -0.000 0.000 0.413 19 L C 0.652 177.569 176.870 0.078 0.000 1.185 19 L CA 0.084 54.954 54.840 0.050 0.000 0.963 19 L CB -2.563 39.515 42.059 0.031 0.000 1.976 19 L HN 0.451 nan 8.230 nan 0.000 0.939 20 S N -0.164 115.599 115.700 0.105 0.000 2.702 20 S HA -0.034 4.436 4.470 -0.000 0.000 0.314 20 S C 1.411 176.137 174.600 0.209 0.000 1.244 20 S CA 0.231 58.512 58.200 0.134 0.000 1.058 20 S CB 0.959 64.241 63.200 0.136 0.000 0.783 20 S HN 0.361 nan 8.310 nan 0.000 0.503 21 R N 2.675 123.272 120.500 0.161 0.000 2.075 21 R HA 0.167 4.507 4.340 -0.000 0.000 0.226 21 R C 0.745 177.185 176.300 0.233 0.000 1.114 21 R CA 1.235 57.449 56.100 0.190 0.000 0.972 21 R CB -0.567 29.801 30.300 0.114 0.000 0.869 21 R HN 0.652 nan 8.270 nan 0.000 0.437 22 Q N 0.341 120.225 119.800 0.140 0.000 2.368 22 Q HA 0.174 4.514 4.340 -0.000 0.000 0.237 22 Q C -0.769 175.201 176.000 -0.050 0.000 0.987 22 Q CA -0.453 55.396 55.803 0.077 0.000 0.896 22 Q CB 1.598 30.422 28.738 0.143 0.000 1.241 22 Q HN -0.040 nan 8.270 nan 0.000 0.485 23 V N 4.751 124.521 119.914 -0.239 0.000 2.508 23 V HA 0.154 4.274 4.120 -0.000 0.000 0.281 23 V C -1.967 174.067 176.094 -0.100 0.000 1.041 23 V CA -1.167 60.812 62.300 -0.534 0.000 1.016 23 V CB 0.744 32.298 31.823 -0.448 0.000 0.984 23 V HN 0.672 nan 8.190 nan 0.000 0.478 24 P HA 0.300 nan 4.420 nan 0.000 0.272 24 P C -0.501 176.498 177.300 -0.502 0.000 1.230 24 P CA -0.218 62.629 63.100 -0.422 0.000 0.788 24 P CB 0.574 31.863 31.700 -0.684 0.000 0.949 25 I N 1.684 121.846 120.570 -0.680 0.000 2.331 25 I HA 0.230 4.400 4.170 -0.000 0.000 0.292 25 I C -0.318 175.415 176.117 -0.640 0.000 0.998 25 I CA -0.523 60.417 61.300 -0.601 0.000 1.267 25 I CB 0.564 38.103 38.000 -0.768 0.000 1.386 25 I HN 0.299 nan 8.210 nan 0.000 0.476 26 Y N 6.768 126.888 120.300 -0.299 0.000 2.944 26 Y HA 0.286 4.836 4.550 -0.000 0.000 0.335 26 Y C -1.979 173.752 175.900 -0.281 0.000 1.075 26 Y CA -2.517 55.435 58.100 -0.247 0.000 1.240 26 Y CB 0.562 38.921 38.460 -0.168 0.000 1.167 26 Y HN 0.380 nan 8.280 nan 0.000 0.555 27 P HA 0.089 nan 4.420 nan 0.000 0.231 27 P C -0.049 177.160 177.300 -0.153 0.000 1.811 27 P CA 0.188 63.127 63.100 -0.268 0.000 1.051 27 P CB 0.639 32.126 31.700 -0.355 0.000 1.951 28 T N -0.057 114.415 114.554 -0.137 0.000 2.906 28 T HA 0.375 4.725 4.350 -0.000 0.000 0.295 28 T C 0.856 175.445 174.700 -0.184 0.000 1.061 28 T CA -0.098 61.880 62.100 -0.203 0.000 1.000 28 T CB 1.610 70.272 68.868 -0.343 0.000 1.103 28 T HN -0.082 nan 8.240 nan 0.000 0.486 29 T N 1.890 116.332 114.554 -0.186 0.000 3.037 29 T HA 0.364 4.714 4.350 -0.000 0.000 0.252 29 T C 0.101 174.716 174.700 -0.141 0.000 1.073 29 T CA 0.253 62.292 62.100 -0.102 0.000 1.091 29 T CB 0.122 68.948 68.868 -0.070 0.000 0.935 29 T HN 0.556 nan 8.240 nan 0.000 0.488 30 S N -0.846 114.627 115.700 -0.377 0.000 2.656 30 S HA 0.683 5.153 4.470 -0.000 0.000 0.273 30 S C -2.052 172.037 174.600 -0.853 0.000 1.168 30 S CA -0.805 57.177 58.200 -0.363 0.000 0.817 30 S CB 1.403 64.483 63.200 -0.200 0.000 1.146 30 S HN 0.268 nan 8.310 nan 0.000 0.475 31 Y N -0.120 120.082 120.300 -0.164 0.000 2.421 31 Y HA 0.513 5.063 4.550 -0.000 0.000 0.339 31 Y C -0.119 175.612 175.900 -0.282 0.000 0.996 31 Y CA -1.047 56.957 58.100 -0.161 0.000 1.046 31 Y CB 1.067 39.471 38.460 -0.093 0.000 1.226 31 Y HN 0.388 nan 8.280 nan 0.000 0.445 32 V N 3.739 123.599 119.914 -0.089 0.000 2.740 32 V HA -0.003 4.117 4.120 -0.000 0.000 0.303 32 V C -0.327 175.716 176.094 -0.085 0.000 1.054 32 V CA -0.043 62.175 62.300 -0.137 0.000 1.106 32 V CB 0.006 31.802 31.823 -0.045 0.000 0.957 32 V HN 0.480 nan 8.190 nan 0.000 0.486 33 F N 4.942 124.949 119.950 0.095 0.000 2.445 33 F HA 0.281 4.808 4.527 -0.000 0.000 0.359 33 F C 1.216 177.058 175.800 0.070 0.000 1.101 33 F CA -0.527 57.528 58.000 0.091 0.000 1.177 33 F CB 0.583 39.654 39.000 0.119 0.000 1.110 33 F HN 0.507 nan 8.300 nan 0.000 0.522 34 K N 1.853 122.401 120.400 0.247 0.000 2.107 34 K HA -0.190 4.130 4.320 -0.000 0.000 0.211 34 K C 0.155 176.867 176.600 0.187 0.000 1.049 34 K CA 1.780 58.141 56.287 0.124 0.000 0.927 34 K CB 0.136 32.587 32.500 -0.082 0.000 0.714 34 K HN 0.775 nan 8.250 nan 0.000 0.452 35 S N -3.533 112.317 115.700 0.249 0.000 2.595 35 S HA 0.273 4.743 4.470 -0.000 0.000 0.270 35 S C -2.695 171.980 174.600 0.124 0.000 1.145 35 S CA -1.169 57.145 58.200 0.189 0.000 0.825 35 S CB 1.654 64.972 63.200 0.197 0.000 1.107 35 S HN -0.140 nan 8.310 nan 0.000 0.461 36 P HA 0.048 nan 4.420 nan 0.000 0.220 36 P C 0.913 178.181 177.300 -0.053 0.000 1.148 36 P CA 1.181 64.270 63.100 -0.018 0.000 0.803 36 P CB 0.024 31.721 31.700 -0.006 0.000 0.782 37 E N -1.401 118.774 120.200 -0.043 0.000 2.047 37 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 37 E C 2.123 178.650 176.600 -0.123 0.000 0.987 37 E CA 1.115 57.453 56.400 -0.103 0.000 0.799 37 E CB -0.951 28.651 29.700 -0.162 0.000 0.752 37 E HN 0.425 nan 8.360 nan 0.000 0.449 38 H N -0.304 118.742 119.070 -0.040 0.000 2.353 38 H HA 0.011 4.567 4.556 -0.000 0.000 0.300 38 H C 1.961 177.215 175.328 -0.123 0.000 1.090 38 H CA 1.417 57.440 56.048 -0.041 0.000 1.327 38 H CB -0.207 29.562 29.762 0.011 0.000 1.383 38 H HN 0.221 nan 8.280 nan 0.000 0.508 39 A N 1.348 124.072 122.820 -0.161 0.000 1.877 39 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 39 A C 2.744 180.261 177.584 -0.111 0.000 1.186 39 A CA 1.693 53.398 52.037 -0.552 0.000 0.620 39 A CB -0.891 17.311 19.000 -1.330 0.000 0.822 39 A HN 0.430 nan 8.150 nan 0.000 0.443 40 A N 0.672 123.461 122.820 -0.051 0.000 1.884 40 A HA -0.321 3.999 4.320 -0.000 0.000 0.219 40 A C 1.883 179.509 177.584 0.070 0.000 1.197 40 A CA 2.097 54.156 52.037 0.037 0.000 0.637 40 A CB -1.208 17.779 19.000 -0.021 0.000 0.827 40 A HN 0.756 nan 8.150 nan 0.000 0.450 41 N N -0.536 118.172 118.700 0.013 0.000 2.094 41 N HA -0.184 4.556 4.740 -0.000 0.000 0.191 41 N C 1.681 177.216 175.510 0.041 0.000 1.023 41 N CA 1.308 54.375 53.050 0.029 0.000 0.857 41 N CB -0.304 38.188 38.487 0.009 0.000 1.013 41 N HN 0.466 nan 8.380 nan 0.000 0.426 42 L N 0.358 121.561 121.223 -0.032 0.000 2.017 42 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 42 L C 1.514 178.299 176.870 -0.142 0.000 1.073 42 L CA 1.662 56.416 54.840 -0.144 0.000 0.745 42 L CB -0.539 41.334 42.059 -0.309 0.000 0.894 42 L HN 0.075 nan 8.230 nan 0.000 0.432 43 F N -0.458 119.536 119.950 0.074 0.000 2.407 43 F HA 0.069 4.596 4.527 -0.000 0.000 0.299 43 F C 2.298 178.221 175.800 0.207 0.000 1.097 43 F CA 0.723 58.801 58.000 0.129 0.000 1.422 43 F CB -0.490 38.539 39.000 0.048 0.000 1.067 43 F HN 0.199 nan 8.300 nan 0.000 0.539 44 A N -0.797 122.203 122.820 0.301 0.000 2.275 44 A HA 0.289 4.609 4.320 -0.000 0.000 0.212 44 A C 1.068 178.777 177.584 0.208 0.000 1.201 44 A CA 0.106 52.291 52.037 0.246 0.000 0.843 44 A CB -0.187 18.900 19.000 0.144 0.000 0.873 44 A HN 0.250 nan 8.150 nan 0.000 0.492 45 L N -2.205 119.136 121.223 0.197 0.000 4.759 45 L HA -0.249 4.091 4.340 -0.000 0.000 0.419 45 L C 1.462 178.486 176.870 0.256 0.000 1.093 45 L CA 1.549 56.527 54.840 0.230 0.000 1.037 45 L CB -2.222 39.947 42.059 0.184 0.000 2.095 45 L HN 0.520 nan 8.230 nan 0.000 0.739 46 K N 0.440 120.932 120.400 0.152 0.000 2.155 46 K HA -0.030 4.290 4.320 -0.000 0.000 0.203 46 K C 0.550 177.217 176.600 0.112 0.000 1.052 46 K CA 1.593 57.940 56.287 0.099 0.000 0.948 46 K CB 0.100 32.628 32.500 0.047 0.000 0.728 46 K HN 0.642 nan 8.250 nan 0.000 0.448 47 E N 0.197 120.465 120.200 0.112 0.000 3.588 47 E HA 0.068 4.418 4.350 -0.000 0.000 0.213 47 E C 0.041 176.695 176.600 0.089 0.000 1.168 47 E CA -0.347 56.111 56.400 0.097 0.000 1.254 47 E CB 0.042 29.780 29.700 0.064 0.000 1.302 47 E HN -0.039 nan 8.360 nan 0.000 0.429 48 F N 2.514 122.475 119.950 0.019 0.000 2.041 48 F HA -0.243 4.284 4.527 -0.000 0.000 0.296 48 F C 2.223 177.955 175.800 -0.114 0.000 1.147 48 F CA 2.734 60.720 58.000 -0.022 0.000 1.214 48 F CB -0.629 38.410 39.000 0.065 0.000 0.947 48 F HN 0.427 nan 8.300 nan 0.000 0.511 49 G N -1.331 107.323 108.800 -0.243 0.000 2.679 49 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.212 49 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.212 49 G C 1.167 175.799 174.900 -0.447 0.000 1.137 49 G CA 0.814 45.669 45.100 -0.409 0.000 0.787 49 G HN 0.566 nan 8.290 nan 0.000 0.534 50 N N -0.592 117.884 118.700 -0.374 0.000 2.402 50 N HA 0.187 4.927 4.740 -0.000 0.000 0.174 50 N C 0.236 175.395 175.510 -0.585 0.000 1.027 50 N CA 0.033 52.849 53.050 -0.389 0.000 0.891 50 N CB 0.462 38.839 38.487 -0.184 0.000 1.016 50 N HN 0.223 nan 8.380 nan 0.000 0.439 51 I N 1.355 121.606 120.570 -0.532 0.000 2.354 51 I HA 0.198 4.368 4.170 -0.000 0.000 0.292 51 I C -0.818 174.915 176.117 -0.640 0.000 0.989 51 I CA -0.758 60.259 61.300 -0.471 0.000 1.188 51 I CB 0.722 38.601 38.000 -0.202 0.000 1.342 51 I HN -0.039 nan 8.210 nan 0.000 0.457 52 Y N 4.252 124.279 120.300 -0.456 0.000 2.316 52 Y HA 0.535 5.085 4.550 -0.000 0.000 0.324 52 Y C 0.811 176.191 175.900 -0.866 0.000 1.267 52 Y CA -0.226 57.406 58.100 -0.780 0.000 1.311 52 Y CB 1.402 39.140 38.460 -1.203 0.000 1.267 52 Y HN 0.644 nan 8.280 nan 0.000 0.516 53 S N 0.022 115.388 115.700 -0.556 0.000 2.636 53 S HA 0.318 4.788 4.470 -0.000 0.000 0.268 53 S C 0.295 174.952 174.600 0.095 0.000 1.159 53 S CA -1.166 56.952 58.200 -0.137 0.000 0.815 53 S CB 1.378 64.522 63.200 -0.094 0.000 1.130 53 S HN 0.686 nan 8.310 nan 0.000 0.471 54 R N 0.438 121.051 120.500 0.189 0.000 2.276 54 R HA -0.060 4.280 4.340 -0.000 0.000 0.243 54 R C 1.618 177.977 176.300 0.098 0.000 1.161 54 R CA 2.316 58.511 56.100 0.159 0.000 1.007 54 R CB -0.750 29.628 30.300 0.129 0.000 0.867 54 R HN 0.793 nan 8.270 nan 0.000 0.472 55 I N -3.929 116.673 120.570 0.054 0.000 4.082 55 I HA 0.305 4.475 4.170 -0.000 0.000 0.337 55 I C 0.197 176.307 176.117 -0.011 0.000 1.352 55 I CA -0.269 61.050 61.300 0.031 0.000 1.097 55 I CB 0.570 38.592 38.000 0.036 0.000 1.048 55 I HN -0.003 nan 8.210 nan 0.000 0.393 56 M N 3.114 122.690 119.600 -0.040 0.000 2.031 56 M HA 0.371 4.851 4.480 -0.000 0.000 0.273 56 M C -1.444 174.863 176.300 0.012 0.000 0.904 56 M CA -0.358 54.912 55.300 -0.051 0.000 0.963 56 M CB 0.939 33.433 32.600 -0.176 0.000 1.707 56 M HN 0.173 nan 8.290 nan 0.000 0.427 57 N N 4.779 123.499 118.700 0.032 0.000 2.498 57 N HA 0.412 5.152 4.740 -0.000 0.000 0.287 57 N C -2.367 173.090 175.510 -0.088 0.000 1.097 57 N CA -1.482 51.576 53.050 0.014 0.000 0.973 57 N CB 1.957 40.485 38.487 0.069 0.000 1.153 57 N HN 0.306 nan 8.380 nan 0.000 0.472 58 P HA 0.027 nan 4.420 nan 0.000 0.223 58 P C 0.882 178.149 177.300 -0.054 0.000 1.151 58 P CA 1.090 63.921 63.100 -0.449 0.000 0.787 58 P CB 0.263 31.254 31.700 -1.182 0.000 0.788 59 T N -0.937 113.666 114.554 0.081 0.000 2.857 59 T HA -0.042 4.308 4.350 -0.000 0.000 0.266 59 T C 1.797 176.552 174.700 0.092 0.000 1.048 59 T CA 1.002 63.190 62.100 0.146 0.000 1.139 59 T CB -0.787 68.178 68.868 0.161 0.000 0.874 59 T HN -0.089 nan 8.240 nan 0.000 0.455 60 V N 1.822 121.778 119.914 0.070 0.000 2.453 60 V HA -0.113 4.007 4.120 -0.000 0.000 0.247 60 V C 2.360 178.491 176.094 0.061 0.000 1.048 60 V CA 1.602 63.941 62.300 0.066 0.000 1.049 60 V CB -0.590 31.270 31.823 0.063 0.000 0.672 60 V HN 0.439 nan 8.190 nan 0.000 0.457 61 D N 0.497 120.934 120.400 0.062 0.000 2.123 61 D HA -0.168 4.472 4.640 -0.000 0.000 0.196 61 D C 1.983 178.331 176.300 0.080 0.000 0.992 61 D CA 1.493 55.536 54.000 0.072 0.000 0.833 61 D CB -0.066 40.804 40.800 0.116 0.000 0.954 61 D HN 0.229 nan 8.370 nan 0.000 0.455 62 V N 0.695 120.664 119.914 0.091 0.000 2.343 62 V HA -0.190 3.930 4.120 -0.000 0.000 0.247 62 V C 2.583 178.710 176.094 0.054 0.000 1.051 62 V CA 1.380 63.736 62.300 0.094 0.000 1.036 62 V CB -0.550 31.324 31.823 0.085 0.000 0.654 62 V HN 0.373 nan 8.190 nan 0.000 0.451 63 L N -0.208 121.040 121.223 0.042 0.000 2.046 63 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 63 L C 2.628 179.518 176.870 0.032 0.000 1.077 63 L CA 1.835 56.690 54.840 0.025 0.000 0.747 63 L CB -0.201 41.879 42.059 0.034 0.000 0.896 63 L HN 0.425 nan 8.230 nan 0.000 0.432 64 E N 0.004 120.233 120.200 0.048 0.000 2.017 64 E HA -0.268 4.082 4.350 -0.000 0.000 0.193 64 E C 2.145 178.775 176.600 0.049 0.000 0.997 64 E CA 1.481 57.913 56.400 0.054 0.000 0.804 64 E CB -0.069 29.666 29.700 0.059 0.000 0.757 64 E HN 0.436 nan 8.360 nan 0.000 0.448 65 K N 0.562 120.992 120.400 0.050 0.000 2.152 65 K HA -0.179 4.141 4.320 -0.000 0.000 0.206 65 K C 2.253 178.869 176.600 0.028 0.000 1.048 65 K CA 1.080 57.394 56.287 0.046 0.000 0.933 65 K CB -0.097 32.436 32.500 0.055 0.000 0.721 65 K HN -0.015 nan 8.250 nan 0.000 0.447 66 R N 0.859 121.370 120.500 0.019 0.000 2.062 66 R HA -0.096 4.244 4.340 -0.000 0.000 0.229 66 R C 2.284 178.559 176.300 -0.041 0.000 1.128 66 R CA 0.870 56.961 56.100 -0.016 0.000 0.960 66 R CB -0.249 30.037 30.300 -0.024 0.000 0.855 66 R HN 0.076 nan 8.270 nan 0.000 0.432 67 L N 1.003 122.215 121.223 -0.018 0.000 2.012 67 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 67 L C 2.319 179.197 176.870 0.015 0.000 1.073 67 L CA 2.258 57.090 54.840 -0.014 0.000 0.748 67 L CB -0.788 41.273 42.059 0.003 0.000 0.891 67 L HN 0.298 nan 8.230 nan 0.000 0.431 68 A N -0.499 122.342 122.820 0.037 0.000 1.927 68 A HA -0.258 4.062 4.320 -0.000 0.000 0.220 68 A C 2.454 180.053 177.584 0.025 0.000 1.185 68 A CA 2.416 54.482 52.037 0.049 0.000 0.639 68 A CB -1.320 17.714 19.000 0.057 0.000 0.820 68 A HN 0.629 nan 8.150 nan 0.000 0.451 69 A N -0.438 122.378 122.820 -0.007 0.000 1.898 69 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 69 A C 2.149 179.686 177.584 -0.077 0.000 1.181 69 A CA 1.447 53.462 52.037 -0.036 0.000 0.620 69 A CB -0.599 18.370 19.000 -0.051 0.000 0.819 69 A HN 0.490 nan 8.150 nan 0.000 0.442 70 L N -0.580 120.557 121.223 -0.143 0.000 2.131 70 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 70 L C 2.143 179.081 176.870 0.114 0.000 1.092 70 L CA 1.060 55.769 54.840 -0.219 0.000 0.759 70 L CB -0.490 41.379 42.059 -0.316 0.000 0.903 70 L HN 0.352 nan 8.230 nan 0.000 0.435 71 E N 0.052 120.317 120.200 0.108 0.000 2.481 71 E HA 0.015 4.365 4.350 -0.000 0.000 0.195 71 E C 1.487 178.147 176.600 0.100 0.000 1.047 71 E CA 0.741 57.230 56.400 0.148 0.000 0.867 71 E CB 0.335 30.129 29.700 0.156 0.000 0.858 71 E HN 0.503 nan 8.360 nan 0.000 0.513 72 G N 1.036 109.877 108.800 0.068 0.000 2.143 72 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.248 72 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.248 72 G C 0.598 175.519 174.900 0.035 0.000 0.991 72 G CA 0.281 45.407 45.100 0.042 0.000 0.689 72 G HN 0.511 nan 8.290 nan 0.000 0.522 73 G N -1.277 107.551 108.800 0.047 0.000 2.568 73 G HA2 0.621 4.581 3.960 -0.000 0.000 0.293 73 G HA3 0.621 4.581 3.960 -0.000 0.000 0.293 73 G C 0.751 175.683 174.900 0.052 0.000 1.347 73 G CA 0.170 45.302 45.100 0.052 0.000 1.039 73 G HN 0.199 nan 8.290 nan 0.000 0.523 74 K N -0.852 119.587 120.400 0.066 0.000 2.350 74 K HA 0.445 4.765 4.320 -0.000 0.000 0.196 74 K C 0.511 177.158 176.600 0.078 0.000 1.084 74 K CA 0.565 56.892 56.287 0.068 0.000 0.967 74 K CB 1.001 33.546 32.500 0.074 0.000 0.950 74 K HN 0.493 nan 8.250 nan 0.000 0.512 75 A N 0.618 123.494 122.820 0.093 0.000 2.612 75 A HA 0.765 5.085 4.320 -0.000 0.000 0.293 75 A C -1.735 175.914 177.584 0.110 0.000 1.075 75 A CA -0.453 51.644 52.037 0.100 0.000 0.680 75 A CB 1.660 20.729 19.000 0.114 0.000 1.279 75 A HN 0.099 nan 8.150 nan 0.000 0.411 76 A N 0.124 123.007 122.820 0.104 0.000 2.583 76 A HA 0.905 5.225 4.320 -0.000 0.000 0.289 76 A C -1.763 175.885 177.584 0.106 0.000 1.151 76 A CA -0.501 51.605 52.037 0.116 0.000 0.695 76 A CB 1.437 20.500 19.000 0.105 0.000 1.290 76 A HN 1.699 nan 8.150 nan 0.000 0.419 77 L N 0.305 121.598 121.223 0.116 0.000 2.505 77 L HA 0.699 5.039 4.340 -0.000 0.000 0.266 77 L C -0.401 176.536 176.870 0.111 0.000 0.954 77 L CA -0.554 54.345 54.840 0.099 0.000 0.852 77 L CB 1.724 43.840 42.059 0.095 0.000 1.282 77 L HN 1.138 nan 8.230 nan 0.000 0.403 78 A N 2.537 125.415 122.820 0.095 0.000 2.312 78 A HA 0.887 5.207 4.320 -0.000 0.000 0.328 78 A C -0.107 177.542 177.584 0.109 0.000 1.158 78 A CA -0.124 51.975 52.037 0.104 0.000 0.821 78 A CB 1.472 20.526 19.000 0.089 0.000 1.170 78 A HN 0.731 nan 8.150 nan 0.000 0.490 79 T N -2.566 112.062 114.554 0.123 0.000 2.804 79 T HA 0.623 4.973 4.350 -0.000 0.000 0.290 79 T C 0.878 175.648 174.700 0.117 0.000 1.099 79 T CA 0.041 62.215 62.100 0.123 0.000 1.011 79 T CB 1.193 70.150 68.868 0.150 0.000 1.291 79 T HN 1.367 nan 8.240 nan 0.000 0.523 80 A N 0.532 123.417 122.820 0.109 0.000 2.178 80 A HA 0.440 4.760 4.320 -0.000 0.000 0.218 80 A C 1.118 178.764 177.584 0.103 0.000 1.157 80 A CA 1.028 53.123 52.037 0.096 0.000 0.689 80 A CB -1.220 17.828 19.000 0.080 0.000 0.787 80 A HN 1.786 nan 8.150 nan 0.000 0.465 81 S N -5.271 110.507 115.700 0.131 0.000 2.656 81 S HA 0.462 4.932 4.470 -0.000 0.000 0.265 81 S C 0.914 175.629 174.600 0.191 0.000 1.110 81 S CA 0.036 58.324 58.200 0.146 0.000 0.821 81 S CB 0.501 63.783 63.200 0.137 0.000 1.099 81 S HN 0.836 nan 8.310 nan 0.000 0.471 82 G N 0.319 109.239 108.800 0.200 0.000 2.446 82 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.217 82 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.217 82 G C 1.054 176.101 174.900 0.245 0.000 1.168 82 G CA 1.510 46.729 45.100 0.198 0.000 0.771 82 G HN 0.875 nan 8.290 nan 0.000 0.551 83 H N 0.804 119.970 119.070 0.160 0.000 2.319 83 H HA 0.023 4.579 4.556 -0.000 0.000 0.297 83 H C 2.862 178.315 175.328 0.208 0.000 1.097 83 H CA 1.844 58.000 56.048 0.180 0.000 1.285 83 H CB -0.234 29.609 29.762 0.135 0.000 1.368 83 H HN 0.402 nan 8.280 nan 0.000 0.495 84 A N 0.379 123.385 122.820 0.312 0.000 2.015 84 A HA 0.009 4.329 4.320 -0.000 0.000 0.219 84 A C 2.477 180.242 177.584 0.301 0.000 1.163 84 A CA 1.264 53.464 52.037 0.271 0.000 0.646 84 A CB -0.813 18.295 19.000 0.181 0.000 0.806 84 A HN 0.478 nan 8.150 nan 0.000 0.448 85 A N -0.362 122.624 122.820 0.277 0.000 1.873 85 A HA -0.187 4.133 4.320 -0.000 0.000 0.215 85 A C 2.101 179.888 177.584 0.338 0.000 1.186 85 A CA 1.568 53.770 52.037 0.276 0.000 0.616 85 A CB -0.578 18.576 19.000 0.256 0.000 0.823 85 A HN 0.613 nan 8.150 nan 0.000 0.442 86 Q N -1.755 118.272 119.800 0.378 0.000 2.096 86 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 86 Q C 1.915 178.135 176.000 0.368 0.000 0.982 86 Q CA 1.768 57.837 55.803 0.444 0.000 0.850 86 Q CB -0.323 28.633 28.738 0.363 0.000 0.901 86 Q HN 0.748 nan 8.270 nan 0.000 0.422 87 F N 0.781 120.852 119.950 0.201 0.000 2.146 87 F HA -0.167 4.360 4.527 -0.000 0.000 0.298 87 F C 1.898 177.788 175.800 0.150 0.000 1.096 87 F CA 0.788 58.884 58.000 0.160 0.000 1.275 87 F CB -0.001 39.087 39.000 0.147 0.000 1.008 87 F HN 0.060 nan 8.300 nan 0.000 0.480 88 L N 0.428 121.842 121.223 0.319 0.000 2.201 88 L HA 0.043 4.383 4.340 -0.000 0.000 0.212 88 L C 2.247 179.187 176.870 0.115 0.000 1.105 88 L CA 1.811 56.755 54.840 0.172 0.000 0.775 88 L CB -1.087 41.088 42.059 0.194 0.000 0.913 88 L HN 0.131 nan 8.230 nan 0.000 0.440 89 A N -0.709 122.253 122.820 0.237 0.000 1.854 89 A HA -0.087 4.233 4.320 -0.000 0.000 0.214 89 A C 2.055 179.813 177.584 0.290 0.000 1.192 89 A CA 1.566 53.834 52.037 0.385 0.000 0.611 89 A CB -0.773 18.496 19.000 0.447 0.000 0.832 89 A HN 0.367 nan 8.150 nan 0.000 0.442 90 L N -0.325 120.992 121.223 0.157 0.000 2.141 90 L HA -0.060 4.280 4.340 -0.000 0.000 0.209 90 L C 2.423 179.257 176.870 -0.060 0.000 1.094 90 L CA 2.086 56.956 54.840 0.050 0.000 0.763 90 L CB -1.572 40.450 42.059 -0.063 0.000 0.908 90 L HN 0.322 nan 8.230 nan 0.000 0.437 91 T N -1.554 112.884 114.554 -0.193 0.000 3.118 91 T HA -0.060 4.290 4.350 -0.000 0.000 0.260 91 T C 1.694 176.325 174.700 -0.114 0.000 1.139 91 T CA 0.999 62.947 62.100 -0.253 0.000 1.085 91 T CB 0.093 68.645 68.868 -0.527 0.000 0.934 91 T HN 0.318 nan 8.240 nan 0.000 0.518 92 T N 2.007 116.529 114.554 -0.054 0.000 2.976 92 T HA 0.084 4.434 4.350 -0.000 0.000 0.257 92 T C 1.459 176.152 174.700 -0.011 0.000 1.051 92 T CA 0.614 62.643 62.100 -0.118 0.000 1.141 92 T CB 0.030 68.664 68.868 -0.389 0.000 0.881 92 T HN 0.349 nan 8.240 nan 0.000 0.461 93 L N -0.601 120.717 121.223 0.157 0.000 2.607 93 L HA 0.694 5.034 4.340 -0.000 0.000 0.228 93 L C 0.486 177.483 176.870 0.211 0.000 1.123 93 L CA -0.599 54.384 54.840 0.238 0.000 0.890 93 L CB -0.583 41.670 42.059 0.324 0.000 1.103 93 L HN 0.024 nan 8.230 nan 0.000 0.468 94 A N 0.302 123.177 122.820 0.092 0.000 2.498 94 A HA 0.850 5.170 4.320 -0.000 0.000 0.298 94 A C -0.842 176.739 177.584 -0.005 0.000 1.075 94 A CA -0.433 51.631 52.037 0.045 0.000 0.714 94 A CB 1.493 20.499 19.000 0.010 0.000 1.299 94 A HN 0.369 nan 8.150 nan 0.000 0.407 95 Q N 0.519 120.315 119.800 -0.006 0.000 2.615 95 Q HA 0.787 5.127 4.340 -0.000 0.000 0.298 95 Q C -0.179 175.813 176.000 -0.014 0.000 1.023 95 Q CA -0.802 54.992 55.803 -0.014 0.000 0.768 95 Q CB 1.750 30.489 28.738 0.001 0.000 1.500 95 Q HN 1.498 nan 8.270 nan 0.000 0.441 96 A N -0.075 122.740 122.820 -0.008 0.000 2.567 96 A HA 0.400 4.720 4.320 -0.000 0.000 0.240 96 A C 1.203 178.784 177.584 -0.004 0.000 1.053 96 A CA 1.244 53.278 52.037 -0.004 0.000 0.755 96 A CB -1.138 17.866 19.000 0.005 0.000 0.978 96 A HN 1.585 nan 8.150 nan 0.000 0.507 97 G N 2.255 111.051 108.800 -0.007 0.000 2.279 97 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.223 97 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.223 97 G C 0.071 174.963 174.900 -0.012 0.000 1.015 97 G CA 0.354 45.450 45.100 -0.007 0.000 0.621 97 G HN 0.798 nan 8.290 nan 0.000 0.506 98 D N 1.566 121.957 120.400 -0.016 0.000 2.414 98 D HA 0.520 5.160 4.640 -0.000 0.000 0.251 98 D C 0.732 177.014 176.300 -0.029 0.000 1.252 98 D CA 0.413 54.403 54.000 -0.018 0.000 0.999 98 D CB 0.486 41.281 40.800 -0.010 0.000 1.093 98 D HN 0.688 nan 8.370 nan 0.000 0.515 99 N N -0.879 117.806 118.700 -0.026 0.000 2.732 99 N HA 0.559 5.299 4.740 -0.000 0.000 0.259 99 N C -1.096 174.392 175.510 -0.036 0.000 1.402 99 N CA -0.634 52.385 53.050 -0.051 0.000 0.829 99 N CB 1.929 40.391 38.487 -0.041 0.000 1.495 99 N HN 0.482 nan 8.380 nan 0.000 0.511 100 I N -3.360 117.157 120.570 -0.088 0.000 3.095 100 I HA 0.724 4.894 4.170 -0.000 0.000 0.310 100 I C -1.325 174.749 176.117 -0.071 0.000 1.196 100 I CA -1.059 60.226 61.300 -0.026 0.000 0.985 100 I CB 2.238 40.176 38.000 -0.103 0.000 1.250 100 I HN 0.194 nan 8.210 nan 0.000 0.446 101 V N 2.221 122.186 119.914 0.085 0.000 2.555 101 V HA 0.728 4.848 4.120 -0.000 0.000 0.302 101 V C -0.175 175.999 176.094 0.134 0.000 1.038 101 V CA -0.335 61.946 62.300 -0.031 0.000 0.887 101 V CB 1.473 33.252 31.823 -0.074 0.000 0.991 101 V HN 0.866 nan 8.190 nan 0.000 0.434 102 S N 2.467 118.139 115.700 -0.048 0.000 2.541 102 S HA 0.528 4.998 4.470 -0.000 0.000 0.280 102 S C -0.249 174.501 174.600 0.251 0.000 1.112 102 S CA -0.267 58.096 58.200 0.272 0.000 0.925 102 S CB 1.969 65.276 63.200 0.179 0.000 1.067 102 S HN 1.017 nan 8.310 nan 0.000 0.479 103 T N 3.474 118.333 114.554 0.509 0.000 2.908 103 T HA 0.250 4.600 4.350 -0.000 0.000 0.325 103 T C -1.801 173.217 174.700 0.530 0.000 1.092 103 T CA -0.537 61.805 62.100 0.403 0.000 1.125 103 T CB 0.419 69.534 68.868 0.411 0.000 1.016 103 T HN 0.592 nan 8.240 nan 0.000 0.550 104 P HA 0.206 nan 4.420 nan 0.000 0.274 104 P C -0.210 177.216 177.300 0.209 0.000 1.352 104 P CA -0.207 63.152 63.100 0.432 0.000 0.947 104 P CB 0.214 32.004 31.700 0.150 0.000 1.437 105 N N 1.195 120.014 118.700 0.199 0.000 3.254 105 N HA 0.150 4.890 4.740 -0.000 0.000 0.308 105 N C -0.057 175.542 175.510 0.148 0.000 1.281 105 N CA 0.322 53.442 53.050 0.117 0.000 1.212 105 N CB -0.120 38.426 38.487 0.099 0.000 1.478 105 N HN 0.305 nan 8.380 nan 0.000 0.548 106 L N 0.853 122.177 121.223 0.168 0.000 2.334 106 L HA 0.333 4.673 4.340 -0.000 0.000 0.275 106 L C 0.380 177.351 176.870 0.168 0.000 1.036 106 L CA -1.292 53.679 54.840 0.219 0.000 0.807 106 L CB 0.905 43.129 42.059 0.274 0.000 1.231 106 L HN 0.277 nan 8.230 nan 0.000 0.438 107 Y N 1.272 121.622 120.300 0.083 0.000 2.811 107 Y HA -0.043 4.507 4.550 -0.000 0.000 0.334 107 Y C 1.290 177.242 175.900 0.087 0.000 1.247 107 Y CA 0.596 58.753 58.100 0.094 0.000 1.526 107 Y CB 1.066 39.598 38.460 0.120 0.000 1.284 107 Y HN 0.745 nan 8.280 nan 0.000 0.586 108 G N 3.986 112.436 108.800 -0.584 0.000 2.529 108 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.219 108 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.219 108 G C 1.552 176.211 174.900 -0.403 0.000 1.177 108 G CA 0.888 45.735 45.100 -0.421 0.000 0.773 108 G HN 1.049 nan 8.290 nan 0.000 0.573 109 G N -0.586 107.710 108.800 -0.840 0.000 2.422 109 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.218 109 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.218 109 G C 1.843 176.687 174.900 -0.093 0.000 1.140 109 G CA 1.873 46.850 45.100 -0.205 0.000 0.775 109 G HN 0.581 nan 8.290 nan 0.000 0.545 110 T N -0.847 113.660 114.554 -0.078 0.000 2.951 110 T HA -0.062 4.288 4.350 -0.000 0.000 0.268 110 T C 1.964 176.391 174.700 -0.454 0.000 1.073 110 T CA 1.077 62.995 62.100 -0.302 0.000 1.134 110 T CB -0.303 68.352 68.868 -0.356 0.000 0.884 110 T HN 0.156 nan 8.240 nan 0.000 0.479 111 F N 2.586 122.378 119.950 -0.264 0.000 2.051 111 F HA -0.008 4.519 4.527 -0.000 0.000 0.296 111 F C 2.371 178.165 175.800 -0.011 0.000 1.122 111 F CA 1.805 59.744 58.000 -0.102 0.000 1.201 111 F CB -0.701 38.248 39.000 -0.085 0.000 0.978 111 F HN 0.171 nan 8.300 nan 0.000 0.472 112 N N 0.259 118.957 118.700 -0.003 0.000 2.149 112 N HA -0.251 4.489 4.740 -0.000 0.000 0.188 112 N C 2.010 177.505 175.510 -0.024 0.000 1.019 112 N CA 1.389 54.415 53.050 -0.040 0.000 0.857 112 N CB -0.335 38.187 38.487 0.058 0.000 0.997 112 N HN 0.562 nan 8.380 nan 0.000 0.426 113 Q N -0.552 119.251 119.800 0.005 0.000 2.079 113 Q HA -0.135 4.205 4.340 -0.000 0.000 0.200 113 Q C 1.630 177.777 176.000 0.244 0.000 0.974 113 Q CA 1.107 56.980 55.803 0.118 0.000 0.840 113 Q CB -0.033 28.765 28.738 0.100 0.000 0.898 113 Q HN 0.211 nan 8.270 nan 0.000 0.430 114 F N 1.338 121.236 119.950 -0.086 0.000 2.051 114 F HA -0.130 4.397 4.527 -0.000 0.000 0.296 114 F C 2.285 178.020 175.800 -0.109 0.000 1.122 114 F CA 1.182 59.112 58.000 -0.116 0.000 1.201 114 F CB -0.650 38.283 39.000 -0.113 0.000 0.978 114 F HN 0.055 nan 8.300 nan 0.000 0.472 115 K N -0.312 120.079 120.400 -0.014 0.000 2.217 115 K HA -0.030 4.290 4.320 -0.000 0.000 0.202 115 K C 1.907 178.483 176.600 -0.040 0.000 1.051 115 K CA 1.132 57.355 56.287 -0.106 0.000 0.952 115 K CB -0.114 32.132 32.500 -0.424 0.000 0.736 115 K HN 0.186 nan 8.250 nan 0.000 0.453 116 V N -0.630 119.278 119.914 -0.011 0.000 2.840 116 V HA -0.061 4.059 4.120 -0.000 0.000 0.234 116 V C 1.992 178.116 176.094 0.050 0.000 1.159 116 V CA 0.983 63.292 62.300 0.016 0.000 1.194 116 V CB 0.253 32.084 31.823 0.013 0.000 0.971 116 V HN 0.132 nan 8.190 nan 0.000 0.494 117 T N 0.840 115.443 114.554 0.082 0.000 2.770 117 T HA -0.064 4.286 4.350 -0.000 0.000 0.263 117 T C 1.853 176.651 174.700 0.162 0.000 1.039 117 T CA 1.425 63.600 62.100 0.125 0.000 1.142 117 T CB -0.195 68.758 68.868 0.143 0.000 0.868 117 T HN 0.048 nan 8.240 nan 0.000 0.435 118 L N 1.252 122.568 121.223 0.155 0.000 2.044 118 L HA 0.112 4.452 4.340 -0.000 0.000 0.205 118 L C 2.357 179.250 176.870 0.038 0.000 1.075 118 L CA 1.626 56.523 54.840 0.096 0.000 0.747 118 L CB -0.935 41.138 42.059 0.022 0.000 0.903 118 L HN 0.158 nan 8.230 nan 0.000 0.435 119 K N 0.093 120.509 120.400 0.027 0.000 2.052 119 K HA -0.233 4.087 4.320 -0.000 0.000 0.215 119 K C 2.142 178.758 176.600 0.027 0.000 1.053 119 K CA 1.852 58.149 56.287 0.016 0.000 0.934 119 K CB -0.189 32.322 32.500 0.018 0.000 0.717 119 K HN 0.172 nan 8.250 nan 0.000 0.450 120 R N -0.156 120.370 120.500 0.043 0.000 2.193 120 R HA -0.031 4.309 4.340 -0.000 0.000 0.229 120 R C 1.510 177.840 176.300 0.050 0.000 1.110 120 R CA 1.169 57.296 56.100 0.044 0.000 0.988 120 R CB -0.175 30.153 30.300 0.048 0.000 0.871 120 R HN 0.266 nan 8.270 nan 0.000 0.458 121 L N -0.362 120.898 121.223 0.061 0.000 2.700 121 L HA 0.280 4.620 4.340 -0.000 0.000 0.234 121 L C 0.684 177.570 176.870 0.027 0.000 1.156 121 L CA -0.069 54.806 54.840 0.060 0.000 0.946 121 L CB 0.743 42.864 42.059 0.103 0.000 1.216 121 L HN 0.333 nan 8.230 nan 0.000 0.493 122 G N 1.229 110.039 108.800 0.017 0.000 2.182 122 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.248 122 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.248 122 G C -0.054 174.837 174.900 -0.015 0.000 1.042 122 G CA -0.128 44.973 45.100 0.002 0.000 0.775 122 G HN 0.319 nan 8.290 nan 0.000 0.501 123 I N 0.490 121.043 120.570 -0.029 0.000 2.410 123 I HA 0.316 4.486 4.170 -0.000 0.000 0.286 123 I C 0.179 176.247 176.117 -0.082 0.000 1.009 123 I CA -0.649 60.614 61.300 -0.062 0.000 1.111 123 I CB 1.708 39.655 38.000 -0.087 0.000 1.262 123 I HN 0.175 nan 8.210 nan 0.000 0.443 124 E N 6.257 126.406 120.200 -0.085 0.000 2.227 124 E HA 0.412 4.762 4.350 -0.000 0.000 0.282 124 E C -1.415 175.085 176.600 -0.166 0.000 1.015 124 E CA -0.549 55.797 56.400 -0.090 0.000 0.823 124 E CB 1.846 31.512 29.700 -0.056 0.000 1.081 124 E HN 0.295 nan 8.360 nan 0.000 0.396 125 V N 5.806 125.596 119.914 -0.207 0.000 2.370 125 V HA 0.366 4.486 4.120 -0.000 0.000 0.283 125 V C -0.064 175.781 176.094 -0.415 0.000 1.023 125 V CA -0.617 61.446 62.300 -0.395 0.000 0.857 125 V CB 1.283 32.788 31.823 -0.531 0.000 0.985 125 V HN 0.629 nan 8.190 nan 0.000 0.443 126 R N 4.168 124.426 120.500 -0.403 0.000 2.346 126 R HA 0.561 4.901 4.340 -0.000 0.000 0.311 126 R C -1.266 174.747 176.300 -0.477 0.000 0.983 126 R CA -0.344 55.581 56.100 -0.292 0.000 0.880 126 R CB 1.368 31.571 30.300 -0.161 0.000 1.100 126 R HN 0.523 nan 8.270 nan 0.000 0.453 127 F N 1.270 121.192 119.950 -0.047 0.000 2.391 127 F HA 0.179 4.706 4.527 -0.000 0.000 0.359 127 F C 1.147 176.854 175.800 -0.154 0.000 1.122 127 F CA -0.391 57.575 58.000 -0.057 0.000 1.120 127 F CB 1.363 40.386 39.000 0.039 0.000 1.142 127 F HN 0.420 nan 8.300 nan 0.000 0.483 128 T N 1.969 116.420 114.554 -0.172 0.000 2.785 128 T HA 0.008 4.358 4.350 -0.000 0.000 0.341 128 T C 0.590 175.256 174.700 -0.057 0.000 1.093 128 T CA -0.030 61.907 62.100 -0.271 0.000 1.103 128 T CB 0.292 68.798 68.868 -0.605 0.000 1.011 128 T HN 0.751 nan 8.240 nan 0.000 0.549 129 S N 1.777 117.434 115.700 -0.072 0.000 2.617 129 S HA 0.166 4.636 4.470 -0.000 0.000 0.259 129 S C 1.265 175.868 174.600 0.004 0.000 1.301 129 S CA -0.706 57.482 58.200 -0.020 0.000 0.984 129 S CB 0.433 63.618 63.200 -0.026 0.000 0.954 129 S HN 0.640 nan 8.310 nan 0.000 0.572 130 R N 0.742 121.249 120.500 0.013 0.000 2.303 130 R HA -0.097 4.243 4.340 -0.000 0.000 0.225 130 R C 1.202 177.533 176.300 0.051 0.000 1.114 130 R CA 1.541 57.660 56.100 0.031 0.000 1.007 130 R CB -0.488 29.816 30.300 0.008 0.000 0.861 130 R HN 0.821 nan 8.270 nan 0.000 0.471 131 E N 0.547 120.771 120.200 0.041 0.000 2.474 131 E HA -0.032 4.318 4.350 -0.000 0.000 0.195 131 E C -0.390 176.259 176.600 0.082 0.000 1.039 131 E CA -0.001 56.442 56.400 0.071 0.000 0.881 131 E CB -0.111 29.627 29.700 0.063 0.000 0.970 131 E HN 0.295 nan 8.360 nan 0.000 0.486 132 E N 1.367 121.606 120.200 0.065 0.000 2.199 132 E HA -0.320 4.030 4.350 -0.000 0.000 0.208 132 E C -0.734 175.993 176.600 0.210 0.000 1.310 132 E CA 0.228 56.709 56.400 0.135 0.000 0.709 132 E CB -1.706 28.169 29.700 0.291 0.000 1.127 132 E HN 0.318 nan 8.360 nan 0.000 0.354 133 R N 0.432 120.992 120.500 0.099 0.000 2.543 133 R HA 0.107 4.447 4.340 -0.000 0.000 0.277 133 R C -1.415 174.994 176.300 0.182 0.000 1.074 133 R CA -1.714 54.453 56.100 0.112 0.000 1.076 133 R CB 0.342 30.675 30.300 0.055 0.000 0.993 133 R HN -0.005 nan 8.270 nan 0.000 0.459 134 P HA -0.271 nan 4.420 nan 0.000 0.216 134 P C 0.545 177.904 177.300 0.100 0.000 1.157 134 P CA 1.591 64.785 63.100 0.158 0.000 0.880 134 P CB 0.173 31.946 31.700 0.122 0.000 0.791 135 E N 0.367 120.609 120.200 0.070 0.000 2.118 135 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 135 E C 1.765 178.347 176.600 -0.030 0.000 0.992 135 E CA 1.304 57.724 56.400 0.032 0.000 0.804 135 E CB -1.158 28.562 29.700 0.033 0.000 0.741 135 E HN 0.409 nan 8.360 nan 0.000 0.458 136 E N 0.337 120.498 120.200 -0.065 0.000 2.153 136 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 136 E C 1.773 178.168 176.600 -0.341 0.000 0.988 136 E CA 0.987 57.278 56.400 -0.182 0.000 0.811 136 E CB -0.323 29.241 29.700 -0.227 0.000 0.746 136 E HN 0.264 nan 8.360 nan 0.000 0.466 137 F N 0.879 120.581 119.950 -0.413 0.000 2.102 137 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 137 F C 2.268 177.673 175.800 -0.659 0.000 1.105 137 F CA 0.792 58.293 58.000 -0.830 0.000 1.239 137 F CB -0.358 37.643 39.000 -1.664 0.000 0.991 137 F HN 0.064 nan 8.300 nan 0.000 0.474 138 L N 0.352 121.450 121.223 -0.209 0.000 2.012 138 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 138 L C 2.553 179.442 176.870 0.031 0.000 1.073 138 L CA 2.072 56.950 54.840 0.064 0.000 0.748 138 L CB -1.751 40.383 42.059 0.126 0.000 0.891 138 L HN 0.149 nan 8.230 nan 0.000 0.431 139 A N -0.493 122.310 122.820 -0.029 0.000 1.903 139 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 139 A C 2.225 179.785 177.584 -0.040 0.000 1.191 139 A CA 2.139 54.157 52.037 -0.031 0.000 0.638 139 A CB -0.861 18.105 19.000 -0.056 0.000 0.823 139 A HN 0.499 nan 8.150 nan 0.000 0.451 140 L N -0.210 120.956 121.223 -0.096 0.000 2.554 140 L HA 0.022 4.362 4.340 -0.000 0.000 0.226 140 L C 0.500 177.363 176.870 -0.012 0.000 1.137 140 L CA -0.065 54.724 54.840 -0.084 0.000 0.863 140 L CB -0.469 41.490 42.059 -0.165 0.000 0.985 140 L HN 0.188 nan 8.230 nan 0.000 0.451 141 T N 0.251 114.840 114.554 0.058 0.000 2.899 141 T HA 0.333 4.683 4.350 -0.000 0.000 0.295 141 T C -0.240 174.529 174.700 0.115 0.000 1.033 141 T CA -0.377 61.827 62.100 0.174 0.000 1.084 141 T CB 1.333 70.426 68.868 0.374 0.000 0.979 141 T HN 0.287 nan 8.240 nan 0.000 0.532 142 D N -0.442 120.019 120.400 0.102 0.000 2.752 142 D HA 0.251 4.891 4.640 -0.000 0.000 0.313 142 D C 0.832 177.158 176.300 0.043 0.000 1.225 142 D CA -0.719 53.317 54.000 0.060 0.000 0.976 142 D CB 0.282 41.103 40.800 0.034 0.000 1.443 142 D HN 0.307 nan 8.370 nan 0.000 0.515 143 E N -0.411 119.801 120.200 0.020 0.000 2.197 143 E HA -0.224 4.126 4.350 -0.000 0.000 0.205 143 E C 0.977 177.562 176.600 -0.024 0.000 1.029 143 E CA 1.884 58.282 56.400 -0.002 0.000 0.828 143 E CB 0.075 29.774 29.700 -0.002 0.000 0.737 143 E HN 0.374 nan 8.360 nan 0.000 0.464 144 K N -0.445 119.947 120.400 -0.012 0.000 2.358 144 K HA 0.124 4.444 4.320 -0.000 0.000 0.197 144 K C -0.022 176.571 176.600 -0.011 0.000 1.025 144 K CA 0.094 56.367 56.287 -0.024 0.000 1.104 144 K CB 0.694 33.186 32.500 -0.013 0.000 0.855 144 K HN -0.001 nan 8.250 nan 0.000 0.531 145 T N 1.816 116.383 114.554 0.023 0.000 2.867 145 T HA 0.087 4.437 4.350 -0.000 0.000 0.297 145 T C 1.134 175.867 174.700 0.055 0.000 0.989 145 T CA 0.447 62.594 62.100 0.077 0.000 1.159 145 T CB 0.870 69.839 68.868 0.169 0.000 0.928 145 T HN 0.126 nan 8.240 nan 0.000 0.538 146 R N 1.272 121.832 120.500 0.099 0.000 2.307 146 R HA 0.519 4.859 4.340 -0.000 0.000 0.200 146 R C 0.386 176.862 176.300 0.293 0.000 0.893 146 R CA 0.185 56.377 56.100 0.154 0.000 1.042 146 R CB 0.658 31.040 30.300 0.138 0.000 1.059 146 R HN 0.731 nan 8.270 nan 0.000 0.530 147 A N -1.003 121.951 122.820 0.224 0.000 2.586 147 A HA 0.528 4.848 4.320 -0.000 0.000 0.291 147 A C -2.044 175.780 177.584 0.400 0.000 1.062 147 A CA -0.801 51.349 52.037 0.188 0.000 0.666 147 A CB 0.576 19.694 19.000 0.196 0.000 1.281 147 A HN 0.078 nan 8.150 nan 0.000 0.421 148 W N 0.199 121.556 121.300 0.095 0.000 2.689 148 W HA 0.657 5.317 4.660 -0.000 0.000 0.340 148 W C -0.480 176.144 176.519 0.176 0.000 1.060 148 W CA -1.469 55.971 57.345 0.159 0.000 1.218 148 W CB 1.174 30.612 29.460 -0.036 0.000 1.410 148 W HN 0.687 nan 8.180 nan 0.000 0.528 149 W N 3.915 125.407 121.300 0.319 0.000 2.656 149 W HA 0.617 5.277 4.660 0.000 0.000 0.327 149 W C -1.716 174.956 176.519 0.255 0.000 1.041 149 W CA -0.839 56.657 57.345 0.251 0.000 1.229 149 W CB 1.903 31.569 29.460 0.343 0.000 1.397 149 W HN 0.155 nan 8.180 nan 0.000 0.479 150 V N 4.860 124.686 119.914 -0.146 0.000 3.159 150 V HA 0.451 4.571 4.120 -0.000 0.000 0.308 150 V C -1.066 174.910 176.094 -0.198 0.000 1.190 150 V CA -0.691 61.608 62.300 -0.001 0.000 1.037 150 V CB 2.654 34.463 31.823 -0.023 0.000 1.060 150 V HN 0.576 nan 8.190 nan 0.000 0.437 151 E N 1.379 121.563 120.200 -0.028 0.000 2.202 151 E HA 0.392 4.742 4.350 -0.000 0.000 0.272 151 E C 0.358 176.910 176.600 -0.081 0.000 0.951 151 E CA -0.405 55.961 56.400 -0.056 0.000 0.813 151 E CB 1.879 31.596 29.700 0.029 0.000 1.151 151 E HN 0.658 nan 8.360 nan 0.000 0.398 152 S N 1.307 116.972 115.700 -0.058 0.000 2.419 152 S HA -0.027 4.443 4.470 -0.000 0.000 0.233 152 S C 0.695 175.337 174.600 0.071 0.000 1.016 152 S CA 0.874 59.083 58.200 0.016 0.000 0.974 152 S CB 0.021 63.298 63.200 0.128 0.000 0.786 152 S HN 0.396 nan 8.310 nan 0.000 0.492 153 I N 0.891 121.415 120.570 -0.076 0.000 2.590 153 I HA 0.278 4.448 4.170 -0.000 0.000 0.283 153 I C 0.243 176.162 176.117 -0.330 0.000 1.154 153 I CA -0.613 60.568 61.300 -0.200 0.000 1.067 153 I CB 1.562 39.407 38.000 -0.258 0.000 1.243 153 I HN 0.093 nan 8.210 nan 0.000 0.451 154 G N 4.477 113.181 108.800 -0.161 0.000 2.572 154 G HA2 0.159 4.119 3.960 -0.000 0.000 0.261 154 G HA3 0.159 4.119 3.960 -0.000 0.000 0.261 154 G C -0.621 174.219 174.900 -0.101 0.000 1.197 154 G CA -0.344 44.700 45.100 -0.093 0.000 0.870 154 G HN 0.662 nan 8.290 nan 0.000 0.548 155 N N 0.278 118.960 118.700 -0.029 0.000 2.370 155 N HA 0.366 5.106 4.740 -0.000 0.000 0.303 155 N C -2.073 173.447 175.510 0.016 0.000 1.103 155 N CA -2.036 51.020 53.050 0.010 0.000 0.848 155 N CB 3.192 41.723 38.487 0.073 0.000 1.235 155 N HN 0.125 nan 8.380 nan 0.000 0.496 156 P HA 0.168 nan 4.420 nan 0.000 0.262 156 P C 0.297 177.632 177.300 0.059 0.000 1.304 156 P CA 0.167 63.294 63.100 0.045 0.000 0.859 156 P CB 0.236 31.949 31.700 0.021 0.000 1.310 157 A N 0.256 123.100 122.820 0.040 0.000 2.208 157 A HA 0.153 4.473 4.320 -0.000 0.000 0.209 157 A C 1.143 178.792 177.584 0.107 0.000 1.161 157 A CA 0.082 52.156 52.037 0.061 0.000 0.782 157 A CB -0.997 18.021 19.000 0.029 0.000 0.816 157 A HN 0.164 nan 8.150 nan 0.000 0.477 158 L N 0.188 121.451 121.223 0.066 0.000 3.608 158 L HA -0.200 4.140 4.340 -0.000 0.000 0.422 158 L C -0.273 176.620 176.870 0.038 0.000 1.260 158 L CA 0.262 55.116 54.840 0.023 0.000 0.889 158 L CB -2.504 39.593 42.059 0.063 0.000 1.821 158 L HN 0.786 nan 8.230 nan 0.000 0.884 159 N N 1.491 120.240 118.700 0.081 0.000 2.530 159 N HA 0.426 5.166 4.740 -0.000 0.000 0.273 159 N C -0.136 175.392 175.510 0.029 0.000 1.173 159 N CA -0.690 52.468 53.050 0.179 0.000 0.967 159 N CB 2.482 41.084 38.487 0.192 0.000 1.109 159 N HN 0.255 nan 8.380 nan 0.000 0.453 160 I N 0.681 121.237 120.570 -0.024 0.000 2.359 160 I HA 0.476 4.646 4.170 -0.000 0.000 0.294 160 I C -2.608 173.388 176.117 -0.202 0.000 0.987 160 I CA -2.660 58.587 61.300 -0.088 0.000 1.225 160 I CB 1.251 39.260 38.000 0.015 0.000 1.366 160 I HN 0.475 nan 8.210 nan 0.000 0.466 161 P HA 0.181 nan 4.420 nan 0.000 0.279 161 P C -0.977 176.160 177.300 -0.272 0.000 1.282 161 P CA -0.197 62.781 63.100 -0.203 0.000 0.788 161 P CB 0.585 32.183 31.700 -0.170 0.000 1.139 162 D N 0.195 120.482 120.400 -0.190 0.000 2.638 162 D HA 0.081 4.721 4.640 -0.000 0.000 0.245 162 D C 1.042 177.237 176.300 -0.174 0.000 1.176 162 D CA -0.274 53.653 54.000 -0.122 0.000 0.996 162 D CB -0.737 40.041 40.800 -0.037 0.000 1.012 162 D HN 0.104 nan 8.370 nan 0.000 0.515 163 L N 1.684 122.644 121.223 -0.438 0.000 2.044 163 L HA -0.052 4.288 4.340 -0.000 0.000 0.205 163 L C 1.915 178.650 176.870 -0.226 0.000 1.075 163 L CA 1.367 55.880 54.840 -0.544 0.000 0.747 163 L CB -0.138 41.213 42.059 -1.180 0.000 0.903 163 L HN 0.446 nan 8.230 nan 0.000 0.435 164 E N -0.141 120.023 120.200 -0.061 0.000 2.038 164 E HA -0.258 4.092 4.350 -0.000 0.000 0.195 164 E C 2.072 178.739 176.600 0.112 0.000 1.000 164 E CA 1.595 58.102 56.400 0.177 0.000 0.803 164 E CB -0.019 29.857 29.700 0.293 0.000 0.750 164 E HN 0.556 nan 8.360 nan 0.000 0.448 165 A N 1.341 124.206 122.820 0.075 0.000 1.877 165 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 165 A C 2.290 179.917 177.584 0.072 0.000 1.186 165 A CA 1.136 53.217 52.037 0.073 0.000 0.620 165 A CB -0.815 18.224 19.000 0.066 0.000 0.822 165 A HN 0.400 nan 8.150 nan 0.000 0.443 166 L N -0.773 120.466 121.223 0.027 0.000 2.013 166 L HA -0.299 4.041 4.340 -0.000 0.000 0.212 166 L C 3.063 179.969 176.870 0.061 0.000 1.073 166 L CA 1.717 56.575 54.840 0.030 0.000 0.753 166 L CB -0.575 41.416 42.059 -0.114 0.000 0.890 166 L HN 0.497 nan 8.230 nan 0.000 0.432 167 A N -0.985 121.839 122.820 0.006 0.000 1.873 167 A HA -0.278 4.042 4.320 -0.000 0.000 0.215 167 A C 2.073 179.661 177.584 0.006 0.000 1.186 167 A CA 1.668 53.698 52.037 -0.011 0.000 0.616 167 A CB -0.528 18.487 19.000 0.025 0.000 0.823 167 A HN 0.475 nan 8.150 nan 0.000 0.442 168 Q N -0.548 119.280 119.800 0.048 0.000 2.045 168 Q HA -0.161 4.179 4.340 -0.000 0.000 0.206 168 Q C 2.411 178.438 176.000 0.046 0.000 0.991 168 Q CA 2.057 57.887 55.803 0.045 0.000 0.851 168 Q CB -0.465 28.311 28.738 0.064 0.000 0.911 168 Q HN 0.682 nan 8.270 nan 0.000 0.418 169 A N 0.590 123.472 122.820 0.104 0.000 1.883 169 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 169 A C 2.261 179.891 177.584 0.076 0.000 1.186 169 A CA 1.951 54.098 52.037 0.184 0.000 0.624 169 A CB -1.153 18.050 19.000 0.338 0.000 0.822 169 A HN 0.465 nan 8.150 nan 0.000 0.444 170 A N -0.841 121.888 122.820 -0.152 0.000 1.933 170 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 170 A C 2.267 179.663 177.584 -0.315 0.000 1.175 170 A CA 1.623 53.223 52.037 -0.728 0.000 0.628 170 A CB -0.413 18.049 19.000 -0.896 0.000 0.814 170 A HN 0.545 nan 8.150 nan 0.000 0.444 171 R N -0.912 119.504 120.500 -0.139 0.000 2.090 171 R HA -0.105 4.235 4.340 -0.000 0.000 0.228 171 R C 2.249 178.498 176.300 -0.086 0.000 1.110 171 R CA 1.375 57.428 56.100 -0.078 0.000 0.973 171 R CB -0.155 30.110 30.300 -0.059 0.000 0.869 171 R HN 0.636 nan 8.270 nan 0.000 0.440 172 E N 1.129 121.300 120.200 -0.048 0.000 2.110 172 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 172 E C 1.619 178.210 176.600 -0.016 0.000 0.988 172 E CA 1.545 57.932 56.400 -0.022 0.000 0.804 172 E CB 0.035 29.745 29.700 0.017 0.000 0.745 172 E HN -0.075 nan 8.360 nan 0.000 0.458 173 K N -0.350 120.042 120.400 -0.014 0.000 2.366 173 K HA 0.089 4.409 4.320 -0.000 0.000 0.198 173 K C 0.921 177.501 176.600 -0.033 0.000 1.044 173 K CA 0.941 57.228 56.287 -0.000 0.000 0.973 173 K CB -0.284 32.250 32.500 0.057 0.000 0.767 173 K HN 0.297 nan 8.250 nan 0.000 0.475 174 G N 0.199 108.959 108.800 -0.065 0.000 2.221 174 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.265 174 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.265 174 G C -0.346 174.662 174.900 0.180 0.000 1.041 174 G CA 0.367 45.453 45.100 -0.023 0.000 0.807 174 G HN 0.153 nan 8.290 nan 0.000 0.502 175 V N 0.318 120.240 119.914 0.013 0.000 2.439 175 V HA 0.743 4.863 4.120 -0.000 0.000 0.282 175 V C 1.058 176.966 176.094 -0.310 0.000 1.039 175 V CA -0.604 61.644 62.300 -0.088 0.000 0.913 175 V CB 1.504 32.948 31.823 -0.632 0.000 0.983 175 V HN 1.263 nan 8.190 nan 0.000 0.460 176 A N 5.148 127.628 122.820 -0.567 0.000 2.537 176 A HA 0.324 4.644 4.320 -0.000 0.000 0.260 176 A C -0.366 176.861 177.584 -0.595 0.000 1.082 176 A CA 0.137 51.512 52.037 -1.103 0.000 0.765 176 A CB -0.392 18.036 19.000 -0.952 0.000 1.019 176 A HN 0.828 nan 8.150 nan 0.000 0.507 177 L N 4.762 125.654 121.223 -0.551 0.000 2.290 177 L HA 0.586 4.926 4.340 -0.000 0.000 0.284 177 L C -0.377 176.304 176.870 -0.315 0.000 1.078 177 L CA 0.024 54.663 54.840 -0.335 0.000 0.815 177 L CB 0.500 42.393 42.059 -0.277 0.000 1.162 177 L HN 0.567 nan 8.230 nan 0.000 0.435 178 I N 5.932 126.346 120.570 -0.259 0.000 2.389 178 I HA 0.362 4.532 4.170 -0.000 0.000 0.288 178 I C -0.791 174.991 176.117 -0.559 0.000 0.999 178 I CA -0.882 60.194 61.300 -0.375 0.000 1.129 178 I CB 1.835 39.632 38.000 -0.338 0.000 1.288 178 I HN 0.249 nan 8.210 nan 0.000 0.444 179 V N 4.569 124.192 119.914 -0.484 0.000 2.370 179 V HA 0.151 4.271 4.120 -0.000 0.000 0.283 179 V C -0.017 175.771 176.094 -0.511 0.000 1.023 179 V CA -0.599 61.411 62.300 -0.484 0.000 0.857 179 V CB 1.575 33.213 31.823 -0.308 0.000 0.985 179 V HN 0.648 nan 8.190 nan 0.000 0.443 180 D N 4.355 124.412 120.400 -0.571 0.000 2.348 180 D HA -0.033 4.607 4.640 -0.000 0.000 0.259 180 D C 0.767 176.953 176.300 -0.190 0.000 1.296 180 D CA 0.523 54.341 54.000 -0.304 0.000 0.931 180 D CB 0.167 40.932 40.800 -0.057 0.000 1.067 180 D HN 0.651 nan 8.370 nan 0.000 0.503 181 N N 2.671 121.191 118.700 -0.301 0.000 2.276 181 N HA -0.098 4.642 4.740 -0.000 0.000 0.212 181 N C 1.504 177.014 175.510 0.000 0.000 1.127 181 N CA 0.096 53.036 53.050 -0.183 0.000 0.834 181 N CB 0.301 38.664 38.487 -0.206 0.000 1.014 181 N HN 0.439 nan 8.380 nan 0.000 0.491 182 T N -0.820 113.789 114.554 0.092 0.000 2.680 182 T HA -0.209 4.141 4.350 -0.000 0.000 0.268 182 T C 1.285 176.290 174.700 0.507 0.000 1.033 182 T CA 1.323 63.666 62.100 0.406 0.000 1.152 182 T CB -0.559 68.528 68.868 0.366 0.000 0.859 182 T HN 0.321 nan 8.240 nan 0.000 0.452 183 F N 0.804 120.868 119.950 0.190 0.000 2.661 183 F HA 0.301 4.828 4.527 -0.000 0.000 0.298 183 F C 2.438 178.208 175.800 -0.049 0.000 1.137 183 F CA 0.076 58.085 58.000 0.015 0.000 1.454 183 F CB -0.023 38.992 39.000 0.024 0.000 1.103 183 F HN 0.372 nan 8.300 nan 0.000 0.577 184 G N -0.534 108.437 108.800 0.285 0.000 3.026 184 G HA2 0.014 3.974 3.960 -0.000 0.000 0.208 184 G HA3 0.014 3.974 3.960 -0.000 0.000 0.208 184 G C 0.771 175.784 174.900 0.189 0.000 1.169 184 G CA -0.206 45.038 45.100 0.240 0.000 0.788 184 G HN 0.310 nan 8.290 nan 0.000 0.533 185 M N -0.587 119.115 119.600 0.170 0.000 2.399 185 M HA -0.202 4.278 4.480 -0.000 0.000 0.191 185 M C 1.336 177.780 176.300 0.239 0.000 0.732 185 M CA 0.587 55.984 55.300 0.163 0.000 0.512 185 M CB -1.749 30.855 32.600 0.006 0.000 1.191 185 M HN 0.751 nan 8.290 nan 0.000 0.894 186 G N -0.858 108.079 108.800 0.228 0.000 2.233 186 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.270 186 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.270 186 G C 1.035 176.127 174.900 0.320 0.000 1.011 186 G CA 1.132 46.286 45.100 0.091 0.000 0.762 186 G HN 1.997 nan 8.290 nan 0.000 0.511 187 G N -2.211 106.794 108.800 0.342 0.000 2.195 187 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.224 187 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.224 187 G C 0.914 175.948 174.900 0.223 0.000 0.990 187 G CA 1.176 46.471 45.100 0.326 0.000 0.639 187 G HN 1.359 nan 8.290 nan 0.000 0.514 188 Y N 1.204 121.471 120.300 -0.056 0.000 2.133 188 Y HA 0.254 4.804 4.550 -0.000 0.000 0.287 188 Y C 2.650 178.394 175.900 -0.260 0.000 1.134 188 Y CA 2.263 60.030 58.100 -0.555 0.000 1.133 188 Y CB -0.315 37.722 38.460 -0.704 0.000 0.987 188 Y HN 0.249 nan 8.280 nan 0.000 0.502 189 L N -0.535 120.603 121.223 -0.141 0.000 2.240 189 L HA 0.027 4.367 4.340 -0.000 0.000 0.211 189 L C -0.506 176.265 176.870 -0.164 0.000 1.106 189 L CA 0.355 55.130 54.840 -0.108 0.000 0.793 189 L CB -0.097 42.064 42.059 0.170 0.000 0.927 189 L HN 0.264 nan 8.230 nan 0.000 0.446 190 L N -0.863 120.274 121.223 -0.144 0.000 2.592 190 L HA 0.352 4.692 4.340 -0.000 0.000 0.258 190 L C -1.293 175.561 176.870 -0.027 0.000 0.926 190 L CA -0.441 54.281 54.840 -0.197 0.000 0.885 190 L CB 1.699 43.431 42.059 -0.546 0.000 1.380 190 L HN -0.067 nan 8.230 nan 0.000 0.415 191 R N 5.293 125.822 120.500 0.048 0.000 2.332 191 R HA 0.394 4.734 4.340 -0.000 0.000 0.306 191 R C -2.018 174.358 176.300 0.126 0.000 1.117 191 R CA -1.527 54.628 56.100 0.091 0.000 1.108 191 R CB 1.018 31.367 30.300 0.081 0.000 1.126 191 R HN 0.468 nan 8.270 nan 0.000 0.548 192 P HA -0.190 nan 4.420 nan 0.000 0.217 192 P C 0.842 178.185 177.300 0.072 0.000 1.148 192 P CA 1.203 64.337 63.100 0.056 0.000 0.828 192 P CB 0.243 31.900 31.700 -0.073 0.000 0.783 193 L N -1.379 119.865 121.223 0.034 0.000 2.191 193 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 193 L C 2.362 179.229 176.870 -0.004 0.000 1.103 193 L CA 1.340 56.185 54.840 0.009 0.000 0.769 193 L CB -1.097 40.968 42.059 0.009 0.000 0.908 193 L HN -0.032 nan 8.230 nan 0.000 0.438 194 A N -1.205 121.604 122.820 -0.019 0.000 2.066 194 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 194 A C 1.538 178.950 177.584 -0.286 0.000 1.157 194 A CA 0.751 52.687 52.037 -0.168 0.000 0.670 194 A CB -0.618 18.237 19.000 -0.241 0.000 0.804 194 A HN 0.588 nan 8.150 nan 0.000 0.453 195 W N -1.097 120.179 121.300 -0.040 0.000 3.239 195 W HA 0.416 5.076 4.660 -0.000 0.000 0.368 195 W C 1.434 177.925 176.519 -0.047 0.000 1.154 195 W CA 0.573 57.904 57.345 -0.024 0.000 1.860 195 W CB 0.409 29.854 29.460 -0.024 0.000 1.094 195 W HN 0.491 nan 8.180 nan 0.000 0.643 196 G N 0.239 109.089 108.800 0.083 0.000 2.157 196 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.248 196 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.248 196 G C 0.541 175.433 174.900 -0.013 0.000 0.979 196 G CA -0.332 44.785 45.100 0.028 0.000 0.650 196 G HN 0.462 nan 8.290 nan 0.000 0.529 197 A N -0.032 122.771 122.820 -0.028 0.000 2.448 197 A HA 0.748 5.068 4.320 -0.000 0.000 0.239 197 A C 1.778 179.280 177.584 -0.137 0.000 1.080 197 A CA 1.055 53.023 52.037 -0.114 0.000 0.779 197 A CB 0.309 19.227 19.000 -0.137 0.000 1.026 197 A HN 1.750 nan 8.150 nan 0.000 0.499 198 A N 1.150 123.820 122.820 -0.250 0.000 1.930 198 A HA 0.435 4.755 4.320 -0.000 0.000 0.215 198 A C 0.667 178.110 177.584 -0.235 0.000 1.176 198 A CA 1.000 52.843 52.037 -0.324 0.000 0.632 198 A CB -0.227 18.298 19.000 -0.791 0.000 0.819 198 A HN 0.744 nan 8.150 nan 0.000 0.445 199 L N -1.282 119.795 121.223 -0.243 0.000 2.506 199 L HA 0.520 4.860 4.340 -0.000 0.000 0.257 199 L C -1.442 175.319 176.870 -0.182 0.000 0.964 199 L CA -0.754 53.964 54.840 -0.202 0.000 0.836 199 L CB 2.432 44.306 42.059 -0.308 0.000 1.384 199 L HN -0.063 nan 8.230 nan 0.000 0.410 200 V N 0.194 120.046 119.914 -0.105 0.000 2.914 200 V HA 0.722 4.842 4.120 -0.000 0.000 0.314 200 V C -0.458 175.594 176.094 -0.071 0.000 1.084 200 V CA -0.392 61.829 62.300 -0.132 0.000 0.963 200 V CB 2.487 34.269 31.823 -0.069 0.000 1.025 200 V HN 0.801 nan 8.190 nan 0.000 0.432 201 T N 2.021 116.473 114.554 -0.171 0.000 2.909 201 T HA 0.619 4.969 4.350 -0.000 0.000 0.299 201 T C -1.467 173.114 174.700 -0.199 0.000 1.073 201 T CA -0.405 61.672 62.100 -0.039 0.000 0.999 201 T CB 0.980 69.858 68.868 0.017 0.000 1.098 201 T HN 0.705 nan 8.240 nan 0.000 0.477 202 H N 0.567 119.718 119.070 0.135 0.000 2.894 202 H HA 0.420 4.976 4.556 -0.000 0.000 0.367 202 H C -0.748 174.658 175.328 0.130 0.000 1.144 202 H CA -0.539 55.590 56.048 0.135 0.000 1.180 202 H CB 2.160 32.000 29.762 0.131 0.000 1.758 202 H HN 0.554 nan 8.280 nan 0.000 0.541 203 S N 3.176 119.024 115.700 0.247 0.000 2.415 203 S HA 0.095 4.565 4.470 -0.000 0.000 0.313 203 S C 0.941 175.635 174.600 0.157 0.000 1.067 203 S CA -0.667 57.626 58.200 0.154 0.000 1.099 203 S CB -0.069 63.154 63.200 0.037 0.000 0.991 203 S HN 0.393 nan 8.310 nan 0.000 0.491 204 L N 5.229 126.538 121.223 0.142 0.000 2.362 204 L HA 0.021 4.361 4.340 -0.000 0.000 0.219 204 L C 2.904 179.803 176.870 0.049 0.000 1.134 204 L CA 1.915 56.810 54.840 0.091 0.000 0.807 204 L CB -1.450 40.658 42.059 0.081 0.000 0.927 204 L HN 0.884 nan 8.230 nan 0.000 0.447 205 T N -2.350 112.227 114.554 0.039 0.000 2.897 205 T HA -0.157 4.193 4.350 -0.000 0.000 0.271 205 T C 1.762 176.410 174.700 -0.088 0.000 1.084 205 T CA 1.152 63.248 62.100 -0.006 0.000 1.123 205 T CB 0.133 69.010 68.868 0.014 0.000 0.865 205 T HN 0.037 nan 8.240 nan 0.000 0.496 206 K N 0.359 120.686 120.400 -0.122 0.000 3.383 206 K HA 0.262 4.582 4.320 -0.000 0.000 0.164 206 K C 1.903 178.333 176.600 -0.282 0.000 1.145 206 K CA 0.200 56.278 56.287 -0.349 0.000 1.507 206 K CB -1.084 31.140 32.500 -0.460 0.000 2.086 206 K HN 0.325 nan 8.250 nan 0.000 0.502 207 W N 0.957 122.198 121.300 -0.099 0.000 2.467 207 W HA -0.044 4.616 4.660 0.000 0.000 0.275 207 W C 1.912 178.398 176.519 -0.055 0.000 1.239 207 W CA 0.381 57.660 57.345 -0.110 0.000 1.266 207 W CB -0.446 28.918 29.460 -0.159 0.000 1.112 207 W HN -0.074 nan 8.180 nan 0.000 0.576 208 V N 0.949 120.961 119.914 0.164 0.000 2.237 208 V HA -0.228 3.892 4.120 -0.000 0.000 0.245 208 V C 2.708 178.829 176.094 0.046 0.000 1.046 208 V CA 2.357 64.712 62.300 0.092 0.000 1.007 208 V CB -1.558 30.285 31.823 0.033 0.000 0.638 208 V HN 0.217 nan 8.190 nan 0.000 0.445 209 G N -0.622 108.195 108.800 0.028 0.000 2.681 209 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.220 209 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.220 209 G C 1.487 176.382 174.900 -0.008 0.000 1.210 209 G CA 2.017 47.131 45.100 0.022 0.000 0.783 209 G HN 1.316 nan 8.290 nan 0.000 0.609 210 G N -1.506 107.239 108.800 -0.092 0.000 2.320 210 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.242 210 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.242 210 G C 0.996 175.681 174.900 -0.358 0.000 1.033 210 G CA 0.977 45.945 45.100 -0.220 0.000 0.620 210 G HN 0.732 nan 8.290 nan 0.000 0.517 211 H N 0.466 119.524 119.070 -0.019 0.000 2.672 211 H HA 0.383 4.939 4.556 -0.000 0.000 0.277 211 H C 1.940 177.251 175.328 -0.028 0.000 1.074 211 H CA 0.557 56.594 56.048 -0.018 0.000 1.173 211 H CB 0.477 30.230 29.762 -0.015 0.000 1.558 211 H HN 1.352 nan 8.280 nan 0.000 0.539 212 G N 1.407 110.216 108.800 0.015 0.000 2.221 212 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.265 212 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.265 212 G C 0.990 175.904 174.900 0.023 0.000 1.041 212 G CA 0.584 45.678 45.100 -0.011 0.000 0.807 212 G HN 0.580 nan 8.290 nan 0.000 0.502 213 A N -1.705 121.145 122.820 0.051 0.000 2.229 213 A HA 0.723 5.043 4.320 -0.000 0.000 0.211 213 A C 0.843 178.454 177.584 0.045 0.000 1.193 213 A CA 1.297 53.364 52.037 0.050 0.000 0.879 213 A CB 0.881 19.920 19.000 0.066 0.000 0.911 213 A HN 1.820 nan 8.150 nan 0.000 0.492 214 V N 0.357 120.298 119.914 0.045 0.000 2.932 214 V HA 0.508 4.628 4.120 -0.000 0.000 0.307 214 V C -1.894 174.227 176.094 0.045 0.000 1.147 214 V CA -0.902 61.430 62.300 0.053 0.000 0.951 214 V CB 1.955 33.824 31.823 0.077 0.000 1.031 214 V HN 0.235 nan 8.190 nan 0.000 0.426 215 I N 5.875 126.475 120.570 0.051 0.000 2.331 215 I HA 0.825 4.995 4.170 -0.000 0.000 0.292 215 I C 0.277 176.437 176.117 0.072 0.000 0.998 215 I CA 0.044 61.377 61.300 0.055 0.000 1.267 215 I CB 1.486 39.516 38.000 0.049 0.000 1.386 215 I HN 0.940 nan 8.210 nan 0.000 0.476 216 A N 4.403 127.272 122.820 0.081 0.000 2.599 216 A HA 0.839 5.159 4.320 -0.000 0.000 0.294 216 A C -0.803 176.851 177.584 0.115 0.000 1.055 216 A CA -0.380 51.715 52.037 0.095 0.000 0.683 216 A CB 1.515 20.567 19.000 0.086 0.000 1.278 216 A HN 0.796 nan 8.150 nan 0.000 0.412 217 G N -0.930 107.950 108.800 0.134 0.000 2.725 217 G HA2 1.039 4.999 3.960 -0.000 0.000 0.288 217 G HA3 1.039 4.999 3.960 -0.000 0.000 0.288 217 G C -0.703 174.301 174.900 0.174 0.000 1.399 217 G CA 0.059 45.260 45.100 0.169 0.000 0.859 217 G HN 2.243 nan 8.290 nan 0.000 0.479 218 A N -0.661 122.288 122.820 0.215 0.000 2.612 218 A HA 0.753 5.073 4.320 -0.000 0.000 0.293 218 A C -1.433 176.291 177.584 0.234 0.000 1.075 218 A CA -0.570 51.590 52.037 0.205 0.000 0.680 218 A CB 1.041 20.144 19.000 0.172 0.000 1.279 218 A HN 0.761 nan 8.150 nan 0.000 0.411 219 I N 0.861 121.560 120.570 0.214 0.000 2.441 219 I HA 0.585 4.755 4.170 -0.000 0.000 0.295 219 I C -0.775 175.462 176.117 0.199 0.000 0.994 219 I CA -1.039 60.393 61.300 0.220 0.000 1.144 219 I CB 2.006 40.168 38.000 0.271 0.000 1.314 219 I HN 0.321 nan 8.210 nan 0.000 0.445 220 V N 3.958 123.976 119.914 0.173 0.000 2.540 220 V HA 0.363 4.483 4.120 -0.000 0.000 0.302 220 V C -0.770 175.391 176.094 0.112 0.000 1.035 220 V CA -0.588 61.801 62.300 0.148 0.000 0.873 220 V CB 2.011 33.928 31.823 0.156 0.000 0.992 220 V HN 0.627 nan 8.190 nan 0.000 0.428 221 D N 3.056 123.534 120.400 0.130 0.000 2.256 221 D HA 0.433 5.073 4.640 -0.000 0.000 0.240 221 D C 1.042 177.403 176.300 0.101 0.000 1.062 221 D CA 0.016 54.094 54.000 0.129 0.000 0.832 221 D CB 2.314 43.242 40.800 0.213 0.000 1.135 221 D HN 0.596 nan 8.370 nan 0.000 0.484 222 G N 1.929 110.772 108.800 0.071 0.000 2.534 222 G HA2 0.086 4.045 3.960 -0.000 0.000 0.217 222 G HA3 0.086 4.045 3.960 -0.000 0.000 0.217 222 G C 1.109 176.054 174.900 0.075 0.000 1.128 222 G CA 0.412 45.545 45.100 0.054 0.000 0.784 222 G HN 0.918 nan 8.290 nan 0.000 0.542 223 G N 0.709 109.585 108.800 0.126 0.000 2.258 223 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.274 223 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.274 223 G C 0.454 175.408 174.900 0.091 0.000 1.021 223 G CA 0.749 45.935 45.100 0.143 0.000 0.798 223 G HN 1.062 nan 8.290 nan 0.000 0.507 224 N N -1.678 117.055 118.700 0.054 0.000 2.466 224 N HA 0.402 5.142 4.740 -0.000 0.000 0.272 224 N C -0.239 175.223 175.510 -0.081 0.000 1.455 224 N CA -0.789 52.252 53.050 -0.016 0.000 0.875 224 N CB 0.556 39.030 38.487 -0.023 0.000 1.372 224 N HN 0.266 nan 8.380 nan 0.000 0.492 225 F N 2.732 122.487 119.950 -0.324 0.000 2.482 225 F HA 0.580 5.107 4.527 -0.000 0.000 0.331 225 F C -2.512 172.816 175.800 -0.785 0.000 1.115 225 F CA -2.262 55.383 58.000 -0.592 0.000 0.955 225 F CB 1.726 40.226 39.000 -0.833 0.000 1.136 225 F HN -0.047 nan 8.300 nan 0.000 0.452 226 P HA 0.077 nan 4.420 nan 0.000 0.282 226 P C -0.574 176.292 177.300 -0.724 0.000 1.274 226 P CA 0.093 62.740 63.100 -0.756 0.000 0.770 226 P CB 0.544 31.900 31.700 -0.574 0.000 0.867 227 W N 1.803 123.080 121.300 -0.038 0.000 3.114 227 W HA 0.184 4.844 4.660 0.000 0.000 0.279 227 W C 1.825 178.435 176.519 0.151 0.000 1.277 227 W CA 0.014 57.429 57.345 0.117 0.000 1.630 227 W CB 0.089 29.612 29.460 0.104 0.000 1.087 227 W HN 0.370 nan 8.180 nan 0.000 0.637 228 E N 0.277 120.596 120.200 0.198 0.000 2.358 228 E HA -0.058 4.292 4.350 -0.000 0.000 0.195 228 E C 2.475 179.136 176.600 0.100 0.000 1.010 228 E CA 0.744 57.230 56.400 0.143 0.000 0.856 228 E CB -0.398 29.351 29.700 0.082 0.000 0.795 228 E HN 0.292 nan 8.360 nan 0.000 0.504 229 G N 0.606 109.446 108.800 0.067 0.000 2.717 229 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.224 229 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.224 229 G C 1.255 176.183 174.900 0.047 0.000 1.088 229 G CA 1.204 46.325 45.100 0.035 0.000 0.734 229 G HN 0.521 nan 8.290 nan 0.000 0.616 230 G N -0.919 107.930 108.800 0.082 0.000 2.232 230 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.226 230 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.226 230 G C 1.138 176.036 174.900 -0.002 0.000 0.996 230 G CA 0.951 46.076 45.100 0.042 0.000 0.626 230 G HN 0.651 nan 8.290 nan 0.000 0.509 231 R N -0.382 120.094 120.500 -0.041 0.000 2.285 231 R HA 0.140 4.480 4.340 -0.000 0.000 0.213 231 R C 0.111 176.087 176.300 -0.541 0.000 1.068 231 R CA 0.921 56.840 56.100 -0.302 0.000 1.004 231 R CB -0.120 29.920 30.300 -0.434 0.000 0.873 231 R HN 0.458 nan 8.270 nan 0.000 0.467 232 Y N -0.467 119.938 120.300 0.176 0.000 2.470 232 Y HA 0.297 4.847 4.550 -0.000 0.000 0.352 232 Y C -1.817 174.164 175.900 0.136 0.000 0.967 232 Y CA -2.420 55.804 58.100 0.207 0.000 1.121 232 Y CB 1.475 40.171 38.460 0.393 0.000 1.149 232 Y HN 0.055 nan 8.280 nan 0.000 0.641 233 P HA -0.171 nan 4.420 nan 0.000 0.218 233 P C 1.596 178.960 177.300 0.107 0.000 1.149 233 P CA 1.264 64.427 63.100 0.106 0.000 0.817 233 P CB 0.651 32.385 31.700 0.056 0.000 0.785 234 L N -0.871 120.423 121.223 0.117 0.000 2.043 234 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 234 L C 2.607 179.511 176.870 0.057 0.000 1.075 234 L CA 1.283 56.171 54.840 0.079 0.000 0.752 234 L CB -0.859 41.244 42.059 0.074 0.000 0.891 234 L HN -0.041 nan 8.230 nan 0.000 0.432 235 L N -0.702 120.576 121.223 0.092 0.000 2.217 235 L HA -0.095 4.245 4.340 -0.000 0.000 0.211 235 L C 2.542 179.449 176.870 0.063 0.000 1.107 235 L CA 2.125 56.980 54.840 0.025 0.000 0.783 235 L CB -1.385 40.679 42.059 0.008 0.000 0.919 235 L HN 0.511 nan 8.230 nan 0.000 0.442 236 T N -4.732 109.885 114.554 0.106 0.000 3.023 236 T HA 0.071 4.421 4.350 -0.000 0.000 0.249 236 T C 0.807 175.544 174.700 0.062 0.000 1.050 236 T CA -0.428 61.727 62.100 0.092 0.000 1.088 236 T CB 0.133 69.070 68.868 0.114 0.000 0.946 236 T HN 0.136 nan 8.240 nan 0.000 0.480 237 E N 3.351 123.586 120.200 0.057 0.000 2.537 237 E HA 0.061 4.411 4.350 -0.000 0.000 0.269 237 E C -2.305 174.318 176.600 0.039 0.000 1.038 237 E CA -0.995 55.431 56.400 0.043 0.000 0.977 237 E CB 0.227 29.952 29.700 0.041 0.000 0.973 237 E HN 0.340 nan 8.360 nan 0.000 0.456 238 P HA 0.009 nan 4.420 nan 0.000 0.272 238 P C -0.970 176.358 177.300 0.046 0.000 1.223 238 P CA -0.104 63.016 63.100 0.032 0.000 0.784 238 P CB 0.664 32.371 31.700 0.011 0.000 0.923 239 Q N 3.125 122.971 119.800 0.077 0.000 2.372 239 Q HA 0.277 4.617 4.340 -0.000 0.000 0.259 239 Q C -1.752 174.319 176.000 0.119 0.000 0.993 239 Q CA -2.324 53.547 55.803 0.113 0.000 0.854 239 Q CB 0.996 29.837 28.738 0.170 0.000 1.231 239 Q HN 0.240 nan 8.270 nan 0.000 0.462 240 P HA -0.059 nan 4.420 nan 0.000 0.220 240 P C 0.773 178.087 177.300 0.024 0.000 1.148 240 P CA 0.965 64.091 63.100 0.043 0.000 0.803 240 P CB 0.310 32.024 31.700 0.024 0.000 0.782 241 G N -2.141 106.672 108.800 0.022 0.000 2.598 241 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.215 241 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.215 241 G C 0.168 174.774 174.900 -0.490 0.000 1.131 241 G CA 0.370 45.361 45.100 -0.181 0.000 0.785 241 G HN 0.280 nan 8.290 nan 0.000 0.539 242 Y N -0.929 119.431 120.300 0.100 0.000 2.720 242 Y HA 0.292 4.842 4.550 -0.000 0.000 0.264 242 Y C 0.570 176.578 175.900 0.179 0.000 0.989 242 Y CA -1.151 57.029 58.100 0.132 0.000 1.100 242 Y CB -0.623 37.907 38.460 0.116 0.000 1.196 242 Y HN 0.433 nan 8.280 nan 0.000 0.631 243 H N 0.615 119.729 119.070 0.073 0.000 2.756 243 H HA -0.190 4.366 4.556 -0.000 0.000 0.315 243 H C 1.328 176.697 175.328 0.068 0.000 1.210 243 H CA 0.947 57.028 56.048 0.054 0.000 1.150 243 H CB -0.853 28.941 29.762 0.053 0.000 1.463 243 H HN 0.943 nan 8.280 nan 0.000 0.427 244 G N 0.341 109.159 108.800 0.031 0.000 2.203 244 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.263 244 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.263 244 G C 0.366 175.299 174.900 0.055 0.000 1.012 244 G CA 0.362 45.467 45.100 0.009 0.000 0.749 244 G HN 0.533 nan 8.290 nan 0.000 0.512 245 L N 0.353 121.650 121.223 0.123 0.000 2.490 245 L HA 0.455 4.795 4.340 -0.000 0.000 0.274 245 L C 0.951 177.862 176.870 0.068 0.000 1.201 245 L CA 0.314 55.213 54.840 0.098 0.000 0.869 245 L CB 0.363 42.506 42.059 0.139 0.000 1.123 245 L HN 0.279 nan 8.230 nan 0.000 0.484 246 R N 4.838 125.356 120.500 0.030 0.000 2.239 246 R HA 0.197 4.537 4.340 -0.000 0.000 0.332 246 R C 0.546 176.859 176.300 0.022 0.000 0.988 246 R CA -0.878 55.238 56.100 0.026 0.000 0.859 246 R CB 1.030 31.339 30.300 0.014 0.000 1.148 246 R HN 0.561 nan 8.270 nan 0.000 0.482 247 L N 2.027 123.281 121.223 0.052 0.000 2.083 247 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 247 L C 2.427 179.360 176.870 0.106 0.000 1.083 247 L CA 2.034 56.943 54.840 0.115 0.000 0.752 247 L CB -0.852 41.225 42.059 0.031 0.000 0.899 247 L HN 0.689 nan 8.230 nan 0.000 0.433 248 T N -3.889 110.704 114.554 0.065 0.000 2.833 248 T HA -0.201 4.149 4.350 -0.000 0.000 0.269 248 T C 1.791 176.511 174.700 0.033 0.000 1.054 248 T CA 1.314 63.462 62.100 0.081 0.000 1.135 248 T CB -0.229 68.707 68.868 0.113 0.000 0.869 248 T HN 0.292 nan 8.240 nan 0.000 0.466 249 E N 1.291 121.486 120.200 -0.008 0.000 2.046 249 E HA 0.161 4.511 4.350 -0.000 0.000 0.190 249 E C 2.502 179.007 176.600 -0.159 0.000 0.982 249 E CA 0.876 57.241 56.400 -0.059 0.000 0.800 249 E CB -0.331 29.337 29.700 -0.053 0.000 0.756 249 E HN 0.608 nan 8.360 nan 0.000 0.449 250 A N -0.530 122.123 122.820 -0.278 0.000 2.014 250 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 250 A C 1.281 178.298 177.584 -0.945 0.000 1.163 250 A CA 1.015 52.648 52.037 -0.674 0.000 0.652 250 A CB -0.142 18.308 19.000 -0.916 0.000 0.808 250 A HN 0.302 nan 8.150 nan 0.000 0.449 251 F N -2.252 117.631 119.950 -0.112 0.000 2.856 251 F HA 0.382 4.909 4.527 -0.000 0.000 0.338 251 F C 1.770 177.534 175.800 -0.060 0.000 1.100 251 F CA 0.098 58.018 58.000 -0.134 0.000 1.150 251 F CB 0.218 39.067 39.000 -0.252 0.000 1.101 251 F HN 0.390 nan 8.300 nan 0.000 0.548 252 G N 2.340 111.181 108.800 0.068 0.000 2.665 252 G HA2 -0.444 3.516 3.960 -0.000 0.000 0.326 252 G HA3 -0.444 3.516 3.960 -0.000 0.000 0.326 252 G C 1.242 176.232 174.900 0.150 0.000 1.231 252 G CA 1.049 46.198 45.100 0.082 0.000 0.992 252 G HN 0.522 nan 8.290 nan 0.000 0.549 253 E N 0.753 121.035 120.200 0.136 0.000 2.427 253 E HA 0.229 4.579 4.350 -0.000 0.000 0.196 253 E C 2.145 178.887 176.600 0.237 0.000 1.028 253 E CA 0.685 57.195 56.400 0.183 0.000 0.864 253 E CB -0.033 29.735 29.700 0.113 0.000 0.813 253 E HN 0.504 nan 8.360 nan 0.000 0.514 254 L N 0.788 122.118 121.223 0.178 0.000 2.685 254 L HA 0.308 4.648 4.340 -0.000 0.000 0.233 254 L C 1.991 178.898 176.870 0.061 0.000 1.173 254 L CA -0.039 54.883 54.840 0.138 0.000 0.961 254 L CB 0.171 42.281 42.059 0.085 0.000 1.217 254 L HN 0.197 nan 8.230 nan 0.000 0.478 255 A N 0.259 123.133 122.820 0.090 0.000 2.019 255 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 255 A C 2.011 179.445 177.584 -0.251 0.000 1.164 255 A CA 1.269 53.270 52.037 -0.060 0.000 0.644 255 A CB -0.410 18.588 19.000 -0.003 0.000 0.805 255 A HN 0.469 nan 8.150 nan 0.000 0.449 256 F N -0.080 119.599 119.950 -0.451 0.000 2.098 256 F HA -0.083 4.444 4.527 -0.000 0.000 0.294 256 F C 1.813 177.438 175.800 -0.292 0.000 1.107 256 F CA 1.694 59.343 58.000 -0.586 0.000 1.234 256 F CB -0.264 38.304 39.000 -0.720 0.000 1.002 256 F HN 0.175 nan 8.300 nan 0.000 0.472 257 I N -0.102 120.476 120.570 0.013 0.000 2.361 257 I HA -0.212 3.958 4.170 -0.000 0.000 0.251 257 I C 2.035 178.036 176.117 -0.194 0.000 1.133 257 I CA 1.089 62.375 61.300 -0.023 0.000 1.413 257 I CB -0.425 37.653 38.000 0.130 0.000 1.073 257 I HN 0.085 nan 8.210 nan 0.000 0.424 258 V N 0.393 120.121 119.914 -0.310 0.000 2.307 258 V HA -0.287 3.833 4.120 -0.000 0.000 0.245 258 V C 2.509 178.330 176.094 -0.455 0.000 1.045 258 V CA 2.092 64.081 62.300 -0.518 0.000 1.024 258 V CB -0.758 30.436 31.823 -1.049 0.000 0.651 258 V HN 0.419 nan 8.190 nan 0.000 0.449 259 K N 0.386 120.505 120.400 -0.468 0.000 2.063 259 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 259 K C 2.191 178.566 176.600 -0.375 0.000 1.048 259 K CA 1.612 57.655 56.287 -0.406 0.000 0.928 259 K CB -0.388 31.856 32.500 -0.426 0.000 0.713 259 K HN 0.410 nan 8.250 nan 0.000 0.442 260 A N 1.523 124.027 122.820 -0.527 0.000 1.940 260 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 260 A C 2.166 179.646 177.584 -0.174 0.000 1.176 260 A CA 1.708 53.500 52.037 -0.409 0.000 0.631 260 A CB -0.576 18.126 19.000 -0.497 0.000 0.814 260 A HN 0.403 nan 8.150 nan 0.000 0.446 261 R N -0.200 120.217 120.500 -0.138 0.000 2.056 261 R HA -0.085 4.255 4.340 -0.000 0.000 0.227 261 R C 2.040 178.332 176.300 -0.014 0.000 1.149 261 R CA 2.032 58.109 56.100 -0.038 0.000 0.937 261 R CB -0.418 29.897 30.300 0.024 0.000 0.835 261 R HN 0.503 nan 8.270 nan 0.000 0.430 262 V N -1.422 118.461 119.914 -0.053 0.000 3.306 262 V HA 0.017 4.137 4.120 -0.000 0.000 0.264 262 V C 1.084 177.261 176.094 0.139 0.000 1.149 262 V CA 1.861 64.169 62.300 0.014 0.000 1.143 262 V CB 0.078 31.774 31.823 -0.212 0.000 0.767 262 V HN 0.352 nan 8.190 nan 0.000 0.476 263 D N 0.826 121.254 120.400 0.047 0.000 3.234 263 D HA 0.202 4.842 4.640 -0.000 0.000 0.281 263 D C 2.137 178.467 176.300 0.051 0.000 1.405 263 D CA 1.220 55.279 54.000 0.099 0.000 1.115 263 D CB -0.046 40.788 40.800 0.057 0.000 1.198 263 D HN 0.207 nan 8.370 nan 0.000 0.388 264 G N 1.321 110.114 108.800 -0.011 0.000 2.404 264 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.215 264 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.215 264 G C 1.654 176.586 174.900 0.052 0.000 1.174 264 G CA 0.559 45.664 45.100 0.009 0.000 0.780 264 G HN 0.317 nan 8.290 nan 0.000 0.537 265 L N 0.342 121.589 121.223 0.040 0.000 2.056 265 L HA 0.029 4.369 4.340 -0.000 0.000 0.207 265 L C 2.975 179.890 176.870 0.076 0.000 1.078 265 L CA 1.662 56.541 54.840 0.065 0.000 0.749 265 L CB -0.278 41.812 42.059 0.052 0.000 0.901 265 L HN 0.317 nan 8.230 nan 0.000 0.433 266 R N -0.196 120.353 120.500 0.082 0.000 2.120 266 R HA -0.189 4.151 4.340 -0.000 0.000 0.234 266 R C 1.533 177.888 176.300 0.091 0.000 1.123 266 R CA 2.021 58.182 56.100 0.101 0.000 0.975 266 R CB -0.103 30.282 30.300 0.142 0.000 0.866 266 R HN 0.343 nan 8.270 nan 0.000 0.446 267 D N -0.364 120.087 120.400 0.085 0.000 2.240 267 D HA -0.042 4.598 4.640 -0.000 0.000 0.206 267 D C 1.644 177.993 176.300 0.082 0.000 0.963 267 D CA 0.901 54.947 54.000 0.077 0.000 0.863 267 D CB 0.098 40.940 40.800 0.070 0.000 0.973 267 D HN 0.395 nan 8.370 nan 0.000 0.501 268 Q N -0.455 119.402 119.800 0.096 0.000 2.297 268 Q HA 0.195 4.535 4.340 -0.000 0.000 0.203 268 Q C 0.956 177.010 176.000 0.090 0.000 0.931 268 Q CA 0.679 56.547 55.803 0.110 0.000 0.885 268 Q CB 0.745 29.582 28.738 0.165 0.000 0.991 268 Q HN 0.243 nan 8.270 nan 0.000 0.498 269 G N 1.804 110.656 108.800 0.087 0.000 2.198 269 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.257 269 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.257 269 G C -0.110 174.834 174.900 0.074 0.000 1.042 269 G CA 0.208 45.353 45.100 0.076 0.000 0.791 269 G HN 0.301 nan 8.290 nan 0.000 0.502 270 Q N 0.166 120.018 119.800 0.086 0.000 2.336 270 Q HA 0.584 4.924 4.340 -0.000 0.000 0.231 270 Q C 1.367 177.419 176.000 0.086 0.000 0.900 270 Q CA 0.523 56.377 55.803 0.086 0.000 0.966 270 Q CB -0.150 28.655 28.738 0.112 0.000 1.219 270 Q HN 1.087 nan 8.270 nan 0.000 0.412 271 A N 0.803 123.670 122.820 0.078 0.000 2.591 271 A HA 0.010 4.330 4.320 -0.000 0.000 0.244 271 A C -0.124 177.509 177.584 0.082 0.000 1.031 271 A CA -0.269 51.814 52.037 0.077 0.000 0.767 271 A CB -0.056 nan 19.000 nan 0.000 0.942 271 A HN 0.504 nan 8.150 nan 0.000 0.514 272 L N 3.831 125.105 121.223 0.085 0.000 2.360 272 L HA 0.541 4.881 4.340 -0.000 0.000 0.276 272 L C 0.944 177.867 176.870 0.088 0.000 1.121 272 L CA 0.760 55.654 54.840 0.090 0.000 0.845 272 L CB 0.646 42.761 42.059 0.092 0.000 1.143 272 L HN 0.736 nan 8.230 nan 0.000 0.452 273 G N 5.337 114.196 108.800 0.099 0.000 2.503 273 G HA2 0.367 4.327 3.960 -0.000 0.000 0.257 273 G HA3 0.367 4.327 3.960 -0.000 0.000 0.257 273 G C -1.908 173.051 174.900 0.097 0.000 1.214 273 G CA -0.646 44.514 45.100 0.101 0.000 0.839 273 G HN 0.688 nan 8.290 nan 0.000 0.559 274 P HA -0.106 nan 4.420 nan 0.000 0.219 274 P C 1.451 178.739 177.300 -0.021 0.000 1.150 274 P CA 1.006 64.093 63.100 -0.022 0.000 0.814 274 P CB 0.099 31.725 31.700 -0.123 0.000 0.787 275 F N 0.899 120.887 119.950 0.064 0.000 2.134 275 F HA -0.152 4.375 4.527 -0.000 0.000 0.299 275 F C 2.517 178.419 175.800 0.171 0.000 1.097 275 F CA 1.473 59.526 58.000 0.089 0.000 1.264 275 F CB -1.140 37.884 39.000 0.040 0.000 1.001 275 F HN -0.074 nan 8.300 nan 0.000 0.479 276 E N 0.334 120.735 120.200 0.335 0.000 2.077 276 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 276 E C 2.327 179.041 176.600 0.190 0.000 0.989 276 E CA 1.250 57.788 56.400 0.230 0.000 0.800 276 E CB -0.507 29.296 29.700 0.171 0.000 0.746 276 E HN 0.321 nan 8.360 nan 0.000 0.452 277 A N -0.094 122.829 122.820 0.172 0.000 1.933 277 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 277 A C 2.008 179.684 177.584 0.154 0.000 1.175 277 A CA 1.408 53.526 52.037 0.134 0.000 0.628 277 A CB -1.047 18.021 19.000 0.115 0.000 0.814 277 A HN 0.518 nan 8.150 nan 0.000 0.444 278 W N 0.596 121.904 121.300 0.012 0.000 2.355 278 W HA -0.173 4.487 4.660 -0.000 0.000 0.309 278 W C 2.044 178.570 176.519 0.012 0.000 1.206 278 W CA 2.280 59.618 57.345 -0.012 0.000 1.284 278 W CB -0.315 29.128 29.460 -0.028 0.000 1.145 278 W HN 0.107 nan 8.180 nan 0.000 0.502 279 V N 0.185 120.236 119.914 0.228 0.000 2.407 279 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 279 V C 2.066 178.136 176.094 -0.040 0.000 1.055 279 V CA 1.782 64.112 62.300 0.051 0.000 1.049 279 V CB -1.306 30.616 31.823 0.166 0.000 0.662 279 V HN 0.128 nan 8.190 nan 0.000 0.455 280 V N -0.182 119.737 119.914 0.009 0.000 2.287 280 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 280 V C 2.336 178.384 176.094 -0.078 0.000 1.053 280 V CA 2.020 64.316 62.300 -0.006 0.000 1.027 280 V CB -0.620 31.218 31.823 0.024 0.000 0.646 280 V HN 0.448 nan 8.190 nan 0.000 0.447 281 L N -0.994 120.139 121.223 -0.151 0.000 2.127 281 L HA -0.215 4.125 4.340 -0.000 0.000 0.211 281 L C 2.439 179.142 176.870 -0.277 0.000 1.089 281 L CA 1.071 55.783 54.840 -0.214 0.000 0.757 281 L CB -0.525 41.356 42.059 -0.297 0.000 0.899 281 L HN 0.306 nan 8.230 nan 0.000 0.434 282 L N -0.161 120.828 121.223 -0.390 0.000 2.046 282 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 282 L C 2.490 179.288 176.870 -0.119 0.000 1.077 282 L CA 2.058 56.684 54.840 -0.356 0.000 0.747 282 L CB -1.296 40.480 42.059 -0.472 0.000 0.896 282 L HN 0.181 nan 8.230 nan 0.000 0.432 283 G N -1.842 106.955 108.800 -0.004 0.000 2.430 283 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.216 283 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.216 283 G C 1.674 176.598 174.900 0.040 0.000 1.146 283 G CA 0.624 45.807 45.100 0.139 0.000 0.793 283 G HN 0.334 nan 8.290 nan 0.000 0.537 284 M N 0.339 119.934 119.600 -0.008 0.000 2.279 284 M HA -0.018 4.462 4.480 -0.000 0.000 0.264 284 M C 2.277 178.572 176.300 -0.008 0.000 1.062 284 M CA 1.272 56.570 55.300 -0.003 0.000 1.099 284 M CB -0.103 32.478 32.600 -0.032 0.000 1.394 284 M HN 0.265 nan 8.290 nan 0.000 0.426 285 E N -0.698 119.476 120.200 -0.043 0.000 2.204 285 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 285 E C 1.220 177.815 176.600 -0.007 0.000 0.990 285 E CA 1.670 58.040 56.400 -0.049 0.000 0.821 285 E CB -0.001 29.643 29.700 -0.092 0.000 0.750 285 E HN 0.649 nan 8.360 nan 0.000 0.477 286 T N -1.698 112.864 114.554 0.015 0.000 3.174 286 T HA 0.120 4.470 4.350 -0.000 0.000 0.269 286 T C 1.398 176.098 174.700 -0.001 0.000 1.017 286 T CA -0.383 61.724 62.100 0.012 0.000 0.899 286 T CB 0.200 69.084 68.868 0.026 0.000 1.077 286 T HN -0.057 nan 8.240 nan 0.000 0.552 287 L N 3.171 124.414 121.223 0.032 0.000 1.997 287 L HA -0.130 4.210 4.340 -0.000 0.000 0.216 287 L C 2.617 179.387 176.870 -0.167 0.000 1.074 287 L CA 2.611 57.466 54.840 0.026 0.000 0.763 287 L CB -1.180 40.979 42.059 0.167 0.000 0.890 287 L HN 0.538 nan 8.230 nan 0.000 0.434 288 S N -1.331 114.207 115.700 -0.270 0.000 2.402 288 S HA -0.155 4.315 4.470 -0.000 0.000 0.229 288 S C 2.014 176.317 174.600 -0.495 0.000 1.021 288 S CA 1.416 59.114 58.200 -0.837 0.000 0.974 288 S CB -0.882 61.971 63.200 -0.578 0.000 0.800 288 S HN 0.524 nan 8.310 nan 0.000 0.484 289 L N 0.122 121.218 121.223 -0.211 0.000 2.240 289 L HA 0.151 4.491 4.340 -0.000 0.000 0.211 289 L C 3.037 179.837 176.870 -0.117 0.000 1.106 289 L CA 0.881 55.646 54.840 -0.125 0.000 0.793 289 L CB -0.313 41.710 42.059 -0.059 0.000 0.927 289 L HN 0.222 nan 8.230 nan 0.000 0.446 290 R N -0.025 120.414 120.500 -0.102 0.000 2.080 290 R HA 0.035 4.375 4.340 -0.000 0.000 0.222 290 R C 2.531 178.849 176.300 0.030 0.000 1.107 290 R CA 1.036 57.095 56.100 -0.069 0.000 0.980 290 R CB -0.444 29.857 30.300 -0.000 0.000 0.879 290 R HN 0.278 nan 8.270 nan 0.000 0.439 291 A N 1.793 124.606 122.820 -0.011 0.000 1.869 291 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 291 A C 1.934 179.541 177.584 0.037 0.000 1.203 291 A CA 2.055 54.096 52.037 0.006 0.000 0.638 291 A CB -0.604 18.270 19.000 -0.210 0.000 0.831 291 A HN 0.405 nan 8.150 nan 0.000 0.450 292 E N -1.026 119.154 120.200 -0.034 0.000 2.077 292 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 292 E C 2.197 178.794 176.600 -0.005 0.000 0.989 292 E CA 1.432 57.849 56.400 0.030 0.000 0.800 292 E CB -0.206 29.508 29.700 0.023 0.000 0.746 292 E HN 0.552 nan 8.360 nan 0.000 0.452 293 R N 0.650 121.117 120.500 -0.054 0.000 2.148 293 R HA -0.096 4.244 4.340 -0.000 0.000 0.227 293 R C 1.661 177.910 176.300 -0.086 0.000 1.103 293 R CA 1.530 57.576 56.100 -0.090 0.000 0.983 293 R CB -0.390 29.833 30.300 -0.128 0.000 0.874 293 R HN 0.344 nan 8.270 nan 0.000 0.451 294 H N -1.219 117.829 119.070 -0.038 0.000 2.270 294 H HA -0.067 4.489 4.556 -0.000 0.000 0.299 294 H C 1.858 177.145 175.328 -0.067 0.000 1.077 294 H CA 2.063 58.094 56.048 -0.028 0.000 1.294 294 H CB -0.002 29.751 29.762 -0.016 0.000 1.371 294 H HN -0.030 nan 8.280 nan 0.000 0.491 295 V N 0.808 120.773 119.914 0.085 0.000 2.407 295 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 295 V C 1.892 177.953 176.094 -0.056 0.000 1.055 295 V CA 1.981 64.290 62.300 0.015 0.000 1.049 295 V CB -0.316 31.534 31.823 0.045 0.000 0.662 295 V HN 0.476 nan 8.190 nan 0.000 0.455 296 E N -0.093 120.058 120.200 -0.082 0.000 2.051 296 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 296 E C 2.120 178.561 176.600 -0.265 0.000 0.991 296 E CA 1.396 57.670 56.400 -0.209 0.000 0.799 296 E CB -0.237 29.355 29.700 -0.180 0.000 0.748 296 E HN 0.492 nan 8.360 nan 0.000 0.449 297 N N -0.033 118.585 118.700 -0.137 0.000 2.205 297 N HA -0.107 4.633 4.740 -0.000 0.000 0.186 297 N C 1.711 177.155 175.510 -0.111 0.000 1.015 297 N CA 1.330 54.324 53.050 -0.095 0.000 0.862 297 N CB -0.324 38.126 38.487 -0.063 0.000 0.986 297 N HN 0.107 nan 8.380 nan 0.000 0.429 298 T N 1.237 115.696 114.554 -0.157 0.000 2.701 298 T HA 0.009 4.359 4.350 -0.000 0.000 0.263 298 T C 2.144 176.619 174.700 -0.375 0.000 1.040 298 T CA 0.481 62.407 62.100 -0.290 0.000 1.147 298 T CB -0.315 68.315 68.868 -0.396 0.000 0.865 298 T HN 0.109 nan 8.240 nan 0.000 0.426 299 L N 0.245 121.300 121.223 -0.280 0.000 1.990 299 L HA -0.239 4.101 4.340 -0.000 0.000 0.213 299 L C 2.543 179.469 176.870 0.093 0.000 1.072 299 L CA 1.870 56.658 54.840 -0.086 0.000 0.755 299 L CB -0.574 41.471 42.059 -0.024 0.000 0.889 299 L HN 0.485 nan 8.230 nan 0.000 0.432 300 H N -1.083 118.033 119.070 0.077 0.000 2.352 300 H HA -0.190 4.366 4.556 -0.000 0.000 0.299 300 H C 2.277 177.675 175.328 0.116 0.000 1.097 300 H CA 1.240 57.354 56.048 0.110 0.000 1.311 300 H CB 0.022 29.794 29.762 0.017 0.000 1.377 300 H HN 0.278 nan 8.280 nan 0.000 0.504 301 L N -0.056 121.239 121.223 0.121 0.000 2.131 301 L HA -0.065 4.275 4.340 -0.000 0.000 0.206 301 L C 2.862 179.789 176.870 0.094 0.000 1.087 301 L CA 0.495 55.396 54.840 0.100 0.000 0.767 301 L CB -0.417 41.635 42.059 -0.012 0.000 0.917 301 L HN 0.329 nan 8.230 nan 0.000 0.441 302 A N 0.097 122.897 122.820 -0.034 0.000 1.873 302 A HA -0.304 4.016 4.320 -0.000 0.000 0.218 302 A C 1.948 179.512 177.584 -0.032 0.000 1.193 302 A CA 2.161 54.159 52.037 -0.066 0.000 0.629 302 A CB -1.014 17.904 19.000 -0.136 0.000 0.826 302 A HN 0.447 nan 8.150 nan 0.000 0.447 303 H N -2.941 116.204 119.070 0.125 0.000 2.290 303 H HA -0.212 4.344 4.556 -0.000 0.000 0.298 303 H C 1.791 177.195 175.328 0.128 0.000 1.087 303 H CA 2.248 58.371 56.048 0.125 0.000 1.291 303 H CB -0.341 29.508 29.762 0.144 0.000 1.369 303 H HN 0.775 nan 8.280 nan 0.000 0.492 304 W N 0.608 121.968 121.300 0.101 0.000 2.363 304 W HA -0.182 4.478 4.660 -0.000 0.000 0.296 304 W C 1.630 178.122 176.519 -0.046 0.000 1.212 304 W CA 0.762 58.122 57.345 0.024 0.000 1.260 304 W CB -0.182 29.281 29.460 0.004 0.000 1.131 304 W HN 0.101 nan 8.180 nan 0.000 0.530 305 L N 0.461 121.713 121.223 0.048 0.000 2.056 305 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 305 L C 2.383 179.075 176.870 -0.297 0.000 1.078 305 L CA 1.673 56.374 54.840 -0.231 0.000 0.749 305 L CB -1.553 40.356 42.059 -0.250 0.000 0.901 305 L HN 0.102 nan 8.230 nan 0.000 0.433 306 L N -0.677 120.457 121.223 -0.149 0.000 2.042 306 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 306 L C 2.018 178.800 176.870 -0.146 0.000 1.076 306 L CA 1.219 56.005 54.840 -0.090 0.000 0.749 306 L CB -0.411 41.648 42.059 -0.000 0.000 0.893 306 L HN 0.277 nan 8.230 nan 0.000 0.432 307 E N -0.623 119.451 120.200 -0.210 0.000 2.533 307 E HA -0.136 4.214 4.350 -0.000 0.000 0.201 307 E C 0.264 176.652 176.600 -0.354 0.000 1.097 307 E CA 0.044 56.294 56.400 -0.250 0.000 0.887 307 E CB 0.047 29.585 29.700 -0.270 0.000 0.855 307 E HN 0.262 nan 8.360 nan 0.000 0.540 308 Q N 0.187 119.744 119.800 -0.403 0.000 2.314 308 Q HA 0.112 4.452 4.340 -0.000 0.000 0.259 308 Q C -1.730 174.133 176.000 -0.228 0.000 0.951 308 Q CA -2.387 53.163 55.803 -0.422 0.000 0.909 308 Q CB 1.195 29.567 28.738 -0.609 0.000 1.236 308 Q HN -0.122 nan 8.270 nan 0.000 0.444 309 P HA -0.237 nan 4.420 nan 0.000 0.218 309 P C 0.256 177.508 177.300 -0.080 0.000 1.146 309 P CA 1.306 64.347 63.100 -0.098 0.000 0.820 309 P CB 0.392 32.048 31.700 -0.073 0.000 0.778 310 Q N -0.894 118.851 119.800 -0.091 0.000 2.320 310 Q HA 0.132 4.472 4.340 -0.000 0.000 0.201 310 Q C 0.200 176.157 176.000 -0.071 0.000 0.910 310 Q CA 0.163 55.930 55.803 -0.061 0.000 0.946 310 Q CB -0.195 28.524 28.738 -0.032 0.000 1.062 310 Q HN 0.103 nan 8.270 nan 0.000 0.503 311 V N 1.766 121.622 119.914 -0.096 0.000 2.357 311 V HA 0.452 4.572 4.120 -0.000 0.000 0.284 311 V C 0.913 176.965 176.094 -0.070 0.000 1.018 311 V CA 0.057 62.297 62.300 -0.099 0.000 0.841 311 V CB 1.223 32.953 31.823 -0.156 0.000 0.991 311 V HN 0.292 nan 8.190 nan 0.000 0.437 312 A N 5.854 128.622 122.820 -0.086 0.000 1.898 312 A HA 0.166 4.486 4.320 -0.000 0.000 0.214 312 A C 0.675 178.369 177.584 0.183 0.000 1.183 312 A CA 0.907 52.974 52.037 0.049 0.000 0.622 312 A CB 0.226 19.311 19.000 0.142 0.000 0.824 312 A HN 0.929 nan 8.150 nan 0.000 0.444 313 W N -3.212 118.125 121.300 0.062 0.000 3.066 313 W HA 0.587 5.247 4.660 -0.000 0.000 0.330 313 W C -2.238 174.358 176.519 0.128 0.000 1.253 313 W CA -0.963 56.424 57.345 0.070 0.000 1.187 313 W CB 0.819 30.309 29.460 0.051 0.000 1.434 313 W HN -0.072 nan 8.180 nan 0.000 0.572 314 V N 1.893 122.100 119.914 0.489 0.000 2.623 314 V HA 0.299 4.419 4.120 -0.000 0.000 0.304 314 V C -0.496 175.906 176.094 0.514 0.000 1.054 314 V CA -0.747 61.795 62.300 0.404 0.000 0.882 314 V CB 1.526 33.461 31.823 0.187 0.000 1.002 314 V HN 0.588 nan 8.190 nan 0.000 0.424 315 N N 3.463 122.515 118.700 0.587 0.000 2.469 315 N HA 0.504 5.244 4.740 -0.000 0.000 0.253 315 N C -2.026 173.740 175.510 0.427 0.000 0.970 315 N CA -0.325 53.023 53.050 0.497 0.000 0.940 315 N CB 1.235 40.021 38.487 0.498 0.000 1.128 315 N HN 0.719 nan 8.380 nan 0.000 0.503 316 Y N 6.068 126.463 120.300 0.158 0.000 2.298 316 Y HA 0.349 4.899 4.550 -0.000 0.000 0.322 316 Y C -2.330 173.397 175.900 -0.288 0.000 1.138 316 Y CA -1.841 56.242 58.100 -0.029 0.000 1.127 316 Y CB 1.801 40.259 38.460 -0.003 0.000 1.178 316 Y HN 0.484 nan 8.280 nan 0.000 0.428 317 P HA -0.006 nan 4.420 nan 0.000 0.231 317 P C 1.119 177.878 177.300 -0.902 0.000 1.158 317 P CA 1.690 63.969 63.100 -1.368 0.000 0.763 317 P CB 0.197 31.322 31.700 -0.958 0.000 0.805 318 G N -0.978 107.118 108.800 -1.173 0.000 3.042 318 G HA2 0.093 4.053 3.960 -0.000 0.000 0.212 318 G HA3 0.093 4.053 3.960 -0.000 0.000 0.212 318 G C 0.506 175.415 174.900 0.015 0.000 1.166 318 G CA -0.219 44.611 45.100 -0.449 0.000 0.767 318 G HN 0.207 nan 8.290 nan 0.000 0.546 319 L N 0.688 121.936 121.223 0.041 0.000 2.483 319 L HA 0.145 4.485 4.340 -0.000 0.000 0.276 319 L C -1.029 175.936 176.870 0.157 0.000 1.213 319 L CA -1.343 53.554 54.840 0.094 0.000 0.843 319 L CB 1.428 43.539 42.059 0.087 0.000 1.107 319 L HN -0.024 nan 8.230 nan 0.000 0.487 320 P HA -0.067 nan 4.420 nan 0.000 0.222 320 P C 0.755 177.836 177.300 -0.365 0.000 1.153 320 P CA 1.293 64.187 63.100 -0.342 0.000 0.798 320 P CB 0.129 31.612 31.700 -0.361 0.000 0.796 321 H N -3.057 116.007 119.070 -0.010 0.000 2.551 321 H HA 0.020 4.576 4.556 -0.000 0.000 0.266 321 H C 1.054 176.399 175.328 0.029 0.000 0.977 321 H CA -0.237 55.803 56.048 -0.013 0.000 1.163 321 H CB -0.520 29.236 29.762 -0.010 0.000 1.381 321 H HN 0.203 nan 8.280 nan 0.000 0.581 322 H N 2.541 121.662 119.070 0.085 0.000 3.140 322 H HA -0.081 4.475 4.556 -0.000 0.000 0.316 322 H C -1.394 173.967 175.328 0.055 0.000 0.986 322 H CA -1.000 55.089 56.048 0.067 0.000 1.397 322 H CB 1.010 30.808 29.762 0.060 0.000 1.377 322 H HN 0.198 nan 8.280 nan 0.000 0.585 323 P HA -0.232 nan 4.420 nan 0.000 0.216 323 P C 0.549 177.814 177.300 -0.058 0.000 1.151 323 P CA 1.673 64.577 63.100 -0.327 0.000 0.953 323 P CB 0.010 31.315 31.700 -0.658 0.000 0.789 324 H N -1.644 117.543 119.070 0.196 0.000 2.727 324 H HA 0.042 4.598 4.556 -0.000 0.000 0.312 324 H C 1.765 177.225 175.328 0.220 0.000 1.204 324 H CA 0.036 56.212 56.048 0.214 0.000 1.122 324 H CB -1.233 28.642 29.762 0.188 0.000 1.453 324 H HN 0.374 nan 8.280 nan 0.000 0.514 325 H N 1.526 120.738 119.070 0.235 0.000 2.395 325 H HA -0.092 4.464 4.556 -0.000 0.000 0.299 325 H C 1.186 176.557 175.328 0.072 0.000 1.070 325 H CA 1.356 57.476 56.048 0.120 0.000 1.356 325 H CB 0.489 30.314 29.762 0.104 0.000 1.401 325 H HN 0.494 nan 8.280 nan 0.000 0.524 326 D N 0.608 121.130 120.400 0.203 0.000 2.182 326 D HA -0.198 4.442 4.640 -0.000 0.000 0.201 326 D C 2.238 178.521 176.300 -0.029 0.000 0.986 326 D CA 0.805 54.863 54.000 0.098 0.000 0.847 326 D CB -0.524 40.340 40.800 0.106 0.000 0.942 326 D HN 0.285 nan 8.370 nan 0.000 0.467 327 R N 0.432 120.944 120.500 0.019 0.000 2.093 327 R HA 0.163 4.503 4.340 -0.000 0.000 0.224 327 R C 2.559 178.896 176.300 0.061 0.000 1.101 327 R CA 1.173 57.291 56.100 0.029 0.000 0.979 327 R CB -0.327 30.037 30.300 0.106 0.000 0.877 327 R HN 0.242 nan 8.270 nan 0.000 0.441 328 A N 0.213 123.013 122.820 -0.033 0.000 1.940 328 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 328 A C 2.028 179.585 177.584 -0.045 0.000 1.176 328 A CA 1.561 53.553 52.037 -0.075 0.000 0.631 328 A CB -0.361 18.435 19.000 -0.340 0.000 0.814 328 A HN 0.250 nan 8.150 nan 0.000 0.446 329 Q N -0.428 119.273 119.800 -0.166 0.000 2.123 329 Q HA -0.023 4.316 4.340 -0.000 0.000 0.196 329 Q C 2.079 178.005 176.000 -0.124 0.000 0.958 329 Q CA 1.865 57.589 55.803 -0.131 0.000 0.841 329 Q CB -0.172 28.488 28.738 -0.131 0.000 0.915 329 Q HN 0.674 nan 8.270 nan 0.000 0.455 330 K N -1.187 119.066 120.400 -0.245 0.000 2.025 330 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 330 K C 1.464 177.757 176.600 -0.512 0.000 1.049 330 K CA 1.349 57.364 56.287 -0.452 0.000 0.933 330 K CB -0.078 31.925 32.500 -0.828 0.000 0.714 330 K HN 0.223 nan 8.250 nan 0.000 0.438 331 Y N -1.188 119.002 120.300 -0.182 0.000 2.365 331 Y HA 0.047 4.597 4.550 -0.000 0.000 0.293 331 Y C 1.009 176.643 175.900 -0.442 0.000 1.119 331 Y CA 0.593 58.461 58.100 -0.387 0.000 1.203 331 Y CB 0.283 38.400 38.460 -0.572 0.000 1.026 331 Y HN -0.022 nan 8.280 nan 0.000 0.549 332 F N -0.642 119.309 119.950 0.002 0.000 2.764 332 F HA 0.333 4.860 4.527 -0.000 0.000 0.310 332 F C 0.330 176.090 175.800 -0.067 0.000 1.124 332 F CA -0.969 57.010 58.000 -0.035 0.000 1.252 332 F CB 0.249 39.211 39.000 -0.063 0.000 1.010 332 F HN -0.378 nan 8.300 nan 0.000 0.518 333 K N 0.928 121.361 120.400 0.054 0.000 3.078 333 K HA -0.214 4.106 4.320 -0.000 0.000 0.261 333 K C 1.172 177.783 176.600 0.018 0.000 0.947 333 K CA 0.881 57.176 56.287 0.012 0.000 0.702 333 K CB -1.715 30.773 32.500 -0.020 0.000 1.318 333 K HN 0.716 nan 8.250 nan 0.000 0.473 334 G N -1.335 107.472 108.800 0.011 0.000 2.176 334 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.253 334 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.253 334 G C 0.085 174.984 174.900 -0.001 0.000 0.979 334 G CA 0.478 45.563 45.100 -0.025 0.000 0.641 334 G HN 0.332 nan 8.290 nan 0.000 0.530 335 K N 1.042 121.472 120.400 0.050 0.000 2.877 335 K HA 0.383 4.703 4.320 -0.000 0.000 0.176 335 K C -2.572 174.034 176.600 0.010 0.000 1.075 335 K CA -1.371 54.953 56.287 0.062 0.000 0.939 335 K CB 2.058 34.602 32.500 0.073 0.000 1.237 335 K HN 0.134 nan 8.250 nan 0.000 0.607 336 P HA 0.152 nan 4.420 nan 0.000 0.225 336 P C 0.317 177.373 177.300 -0.408 0.000 1.830 336 P CA 0.244 62.874 63.100 -0.784 0.000 1.051 336 P CB 0.665 31.801 31.700 -0.941 0.000 1.929 337 G N 2.523 111.198 108.800 -0.208 0.000 2.698 337 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.233 337 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.233 337 G C 0.217 175.081 174.900 -0.061 0.000 1.352 337 G CA -0.216 44.768 45.100 -0.192 0.000 0.879 337 G HN 0.542 nan 8.290 nan 0.000 0.567 338 A N -1.552 121.158 122.820 -0.183 0.000 2.624 338 A HA 0.658 4.978 4.320 -0.000 0.000 0.287 338 A C 0.252 177.900 177.584 0.107 0.000 1.087 338 A CA 1.009 53.005 52.037 -0.068 0.000 0.964 338 A CB 0.568 19.466 19.000 -0.171 0.000 1.231 338 A HN 1.659 nan 8.150 nan 0.000 0.551 339 V N 1.901 121.946 119.914 0.218 0.000 2.435 339 V HA 0.629 4.749 4.120 -0.000 0.000 0.290 339 V C -0.246 176.046 176.094 0.330 0.000 1.030 339 V CA -0.457 62.036 62.300 0.321 0.000 0.881 339 V CB 1.126 33.259 31.823 0.517 0.000 0.983 339 V HN 0.581 nan 8.190 nan 0.000 0.445 340 L N 3.101 124.478 121.223 0.257 0.000 2.277 340 L HA 1.005 5.345 4.340 -0.000 0.000 0.254 340 L C -0.392 176.665 176.870 0.311 0.000 1.044 340 L CA -0.306 54.710 54.840 0.294 0.000 0.842 340 L CB 2.236 44.380 42.059 0.142 0.000 1.422 340 L HN 0.447 nan 8.230 nan 0.000 0.422 341 T N 0.738 115.502 114.554 0.350 0.000 2.909 341 T HA 0.843 5.193 4.350 -0.000 0.000 0.299 341 T C -1.685 173.194 174.700 0.298 0.000 1.073 341 T CA -0.198 62.088 62.100 0.310 0.000 0.999 341 T CB 1.016 70.101 68.868 0.361 0.000 1.098 341 T HN 0.837 nan 8.240 nan 0.000 0.477 342 F N 0.034 119.819 119.950 -0.274 0.000 2.665 342 F HA 0.803 5.330 4.527 -0.000 0.000 0.308 342 F C -0.455 174.603 175.800 -1.236 0.000 1.112 342 F CA -1.142 56.409 58.000 -0.749 0.000 0.972 342 F CB 0.842 39.594 39.000 -0.413 0.000 1.295 342 F HN 0.692 nan 8.300 nan 0.000 0.440 343 G N 3.263 110.830 108.800 -2.054 0.000 2.388 343 G HA2 0.611 4.571 3.960 -0.000 0.000 0.330 343 G HA3 0.611 4.571 3.960 -0.000 0.000 0.330 343 G C -1.591 172.862 174.900 -0.745 0.000 1.142 343 G CA -0.893 43.298 45.100 -1.516 0.000 0.908 343 G HN 0.623 nan 8.290 nan 0.000 0.473 344 L N 1.683 122.623 121.223 -0.471 0.000 2.334 344 L HA 0.331 4.670 4.340 -0.000 0.000 0.277 344 L C 1.794 178.583 176.870 -0.135 0.000 1.075 344 L CA -0.373 54.318 54.840 -0.248 0.000 0.804 344 L CB 1.758 43.669 42.059 -0.246 0.000 1.174 344 L HN 0.908 nan 8.230 nan 0.000 0.438 345 K N 1.168 121.523 120.400 -0.074 0.000 2.366 345 K HA -0.002 4.318 4.320 -0.000 0.000 0.198 345 K C 1.030 177.626 176.600 -0.006 0.000 1.044 345 K CA 1.083 57.359 56.287 -0.019 0.000 0.973 345 K CB 0.071 32.570 32.500 -0.003 0.000 0.767 345 K HN 0.719 nan 8.250 nan 0.000 0.475 346 G N 1.162 109.948 108.800 -0.022 0.000 3.314 346 G HA2 0.353 4.313 3.960 -0.000 0.000 0.238 346 G HA3 0.353 4.313 3.960 -0.000 0.000 0.238 346 G C 0.606 175.508 174.900 0.003 0.000 1.184 346 G CA -0.019 45.079 45.100 -0.005 0.000 0.806 346 G HN 0.627 nan 8.290 nan 0.000 0.536 347 G N -0.088 108.711 108.800 -0.003 0.000 2.601 347 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.261 347 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.261 347 G C 0.693 175.606 174.900 0.023 0.000 1.289 347 G CA 0.399 45.521 45.100 0.035 0.000 0.920 347 G HN 0.548 nan 8.290 nan 0.000 0.571 348 Y N 0.926 121.216 120.300 -0.017 0.000 2.132 348 Y HA -0.244 4.306 4.550 -0.000 0.000 0.280 348 Y C 3.001 178.880 175.900 -0.035 0.000 1.193 348 Y CA 3.070 61.184 58.100 0.023 0.000 1.157 348 Y CB 0.031 38.555 38.460 0.107 0.000 0.966 348 Y HN 0.557 nan 8.280 nan 0.000 0.511 349 E N -0.192 120.124 120.200 0.194 0.000 2.072 349 E HA -0.143 4.207 4.350 -0.000 0.000 0.190 349 E C 2.403 178.987 176.600 -0.026 0.000 0.982 349 E CA 1.017 57.480 56.400 0.106 0.000 0.803 349 E CB -0.572 29.202 29.700 0.122 0.000 0.755 349 E HN 0.584 nan 8.360 nan 0.000 0.453 350 A N 1.329 124.122 122.820 -0.045 0.000 2.015 350 A HA 0.020 4.340 4.320 -0.000 0.000 0.219 350 A C 2.343 179.851 177.584 -0.126 0.000 1.163 350 A CA 1.568 53.571 52.037 -0.057 0.000 0.646 350 A CB -0.313 18.658 19.000 -0.047 0.000 0.806 350 A HN 0.242 nan 8.150 nan 0.000 0.448 351 A N 0.131 122.762 122.820 -0.315 0.000 1.855 351 A HA -0.104 4.216 4.320 -0.000 0.000 0.215 351 A C 2.092 179.421 177.584 -0.424 0.000 1.191 351 A CA 1.558 53.261 52.037 -0.557 0.000 0.613 351 A CB -0.436 17.857 19.000 -1.178 0.000 0.829 351 A HN 0.438 nan 8.150 nan 0.000 0.442 352 K N -0.728 119.418 120.400 -0.424 0.000 2.113 352 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 352 K C 2.343 178.886 176.600 -0.094 0.000 1.047 352 K CA 1.588 57.758 56.287 -0.195 0.000 0.928 352 K CB -0.186 32.227 32.500 -0.144 0.000 0.716 352 K HN 0.446 nan 8.250 nan 0.000 0.446 353 R N 0.201 120.669 120.500 -0.054 0.000 2.062 353 R HA -0.120 4.220 4.340 -0.000 0.000 0.229 353 R C 2.288 178.599 176.300 0.019 0.000 1.128 353 R CA 1.163 57.258 56.100 -0.008 0.000 0.960 353 R CB -0.324 29.985 30.300 0.015 0.000 0.855 353 R HN 0.128 nan 8.270 nan 0.000 0.432 354 F N 2.564 122.456 119.950 -0.097 0.000 2.043 354 F HA -0.287 4.240 4.527 -0.000 0.000 0.297 354 F C 2.145 177.899 175.800 -0.077 0.000 1.121 354 F CA 2.079 60.044 58.000 -0.058 0.000 1.199 354 F CB -0.501 38.474 39.000 -0.041 0.000 0.968 354 F HN 0.096 nan 8.300 nan 0.000 0.478 355 I N 0.297 120.829 120.570 -0.064 0.000 2.335 355 I HA -0.217 3.953 4.170 -0.000 0.000 0.251 355 I C 2.110 178.056 176.117 -0.286 0.000 1.129 355 I CA 2.153 63.288 61.300 -0.274 0.000 1.402 355 I CB -1.305 36.484 38.000 -0.351 0.000 1.069 355 I HN 0.428 nan 8.210 nan 0.000 0.424 356 S N 0.908 116.501 115.700 -0.180 0.000 2.561 356 S HA 0.036 4.506 4.470 -0.000 0.000 0.225 356 S C 1.774 176.306 174.600 -0.113 0.000 0.977 356 S CA 0.031 58.160 58.200 -0.119 0.000 0.926 356 S CB -0.347 62.816 63.200 -0.062 0.000 0.769 356 S HN 0.642 nan 8.310 nan 0.000 0.533 357 R N 0.090 120.490 120.500 -0.167 0.000 2.397 357 R HA 0.422 4.762 4.340 -0.000 0.000 0.241 357 R C -0.221 175.967 176.300 -0.187 0.000 0.914 357 R CA -0.263 55.753 56.100 -0.141 0.000 1.071 357 R CB 0.114 30.349 30.300 -0.108 0.000 1.116 357 R HN 0.359 nan 8.270 nan 0.000 0.524 358 L N 1.143 122.210 121.223 -0.260 0.000 2.483 358 L HA -0.007 4.333 4.340 -0.000 0.000 0.276 358 L C 1.083 177.885 176.870 -0.113 0.000 1.213 358 L CA 0.729 55.428 54.840 -0.234 0.000 0.843 358 L CB 0.627 42.539 42.059 -0.246 0.000 1.107 358 L HN 0.072 nan 8.230 nan 0.000 0.487 359 K N 1.188 121.537 120.400 -0.085 0.000 2.537 359 K HA 0.104 4.424 4.320 -0.000 0.000 0.216 359 K C 1.290 177.870 176.600 -0.033 0.000 1.349 359 K CA -0.210 56.049 56.287 -0.048 0.000 0.841 359 K CB -0.144 32.331 32.500 -0.042 0.000 1.659 359 K HN 0.300 nan 8.250 nan 0.000 0.435 360 L N 2.221 123.423 121.223 -0.035 0.000 2.017 360 L HA 0.074 4.414 4.340 -0.000 0.000 0.208 360 L C 0.505 177.367 176.870 -0.014 0.000 1.073 360 L CA 1.513 56.339 54.840 -0.023 0.000 0.745 360 L CB -0.163 41.880 42.059 -0.026 0.000 0.894 360 L HN 0.125 nan 8.230 nan 0.000 0.432 361 I N -0.043 120.514 120.570 -0.021 0.000 2.634 361 I HA -0.001 4.169 4.170 -0.000 0.000 0.284 361 I C 0.442 176.567 176.117 0.014 0.000 1.124 361 I CA 0.030 61.333 61.300 0.004 0.000 1.417 361 I CB 0.495 38.502 38.000 0.010 0.000 1.396 361 I HN 0.055 nan 8.210 nan 0.000 0.571 362 S N 4.394 120.120 115.700 0.042 0.000 2.508 362 S HA 0.181 4.651 4.470 -0.000 0.000 0.284 362 S C -0.254 174.418 174.600 0.120 0.000 1.192 362 S CA -0.538 57.696 58.200 0.057 0.000 1.070 362 S CB 0.590 63.811 63.200 0.035 0.000 1.004 362 S HN 0.548 nan 8.310 nan 0.000 0.493 363 H N 3.938 123.009 119.070 0.002 0.000 2.911 363 H HA 0.465 5.021 4.556 -0.000 0.000 0.273 363 H C -0.832 174.510 175.328 0.023 0.000 1.157 363 H CA -0.657 55.401 56.048 0.017 0.000 1.402 363 H CB -0.278 29.487 29.762 0.004 0.000 1.463 363 H HN 0.471 nan 8.280 nan 0.000 0.475 364 L N 2.471 123.694 121.223 0.001 0.000 2.892 364 L HA 0.645 4.985 4.340 -0.000 0.000 0.269 364 L C -1.550 175.333 176.870 0.022 0.000 1.058 364 L CA -1.190 53.600 54.840 -0.083 0.000 0.923 364 L CB 1.113 43.134 42.059 -0.062 0.000 1.518 364 L HN 0.369 nan 8.230 nan 0.000 0.402 365 A N 1.517 124.344 122.820 0.012 0.000 2.322 365 A HA 0.866 5.186 4.320 -0.000 0.000 0.327 365 A C -0.464 177.165 177.584 0.074 0.000 1.394 365 A CA -0.016 52.060 52.037 0.065 0.000 0.921 365 A CB -0.562 18.468 19.000 0.051 0.000 1.153 365 A HN 0.955 nan 8.150 nan 0.000 0.523 366 N N 0.371 119.119 118.700 0.081 0.000 4.851 366 N HA 0.314 5.054 4.740 -0.000 0.000 0.190 366 N C -1.389 174.103 175.510 -0.030 0.000 1.101 366 N CA 0.218 53.290 53.050 0.037 0.000 0.958 366 N CB 1.012 39.494 38.487 -0.008 0.000 1.570 366 N HN 0.996 nan 8.380 nan 0.000 0.601 367 V N -0.538 119.281 119.914 -0.159 0.000 3.074 367 V HA 1.017 5.137 4.120 -0.000 0.000 0.314 367 V C 1.107 176.755 176.094 -0.743 0.000 1.117 367 V CA 0.089 62.177 62.300 -0.353 0.000 1.014 367 V CB 1.204 32.826 31.823 -0.335 0.000 1.057 367 V HN 1.539 nan 8.190 nan 0.000 0.438 368 G N 0.842 109.039 108.800 -1.005 0.000 2.131 368 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.223 368 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.223 368 G C -0.142 174.292 174.900 -0.775 0.000 0.990 368 G CA 0.305 44.340 45.100 -1.776 0.000 0.671 368 G HN 1.172 nan 8.290 nan 0.000 0.521 369 D N -0.279 119.898 120.400 -0.371 0.000 2.411 369 D HA 0.517 5.157 4.640 -0.000 0.000 0.251 369 D C 2.215 178.511 176.300 -0.007 0.000 1.201 369 D CA 0.595 54.497 54.000 -0.164 0.000 0.996 369 D CB 0.737 41.481 40.800 -0.094 0.000 1.101 369 D HN 0.214 nan 8.370 nan 0.000 0.504 370 T N -1.429 113.122 114.554 -0.005 0.000 2.985 370 T HA 0.072 4.422 4.350 -0.000 0.000 0.266 370 T C 1.160 175.880 174.700 0.033 0.000 1.076 370 T CA 0.469 62.578 62.100 0.014 0.000 1.135 370 T CB 0.098 68.950 68.868 -0.026 0.000 0.890 370 T HN 0.166 nan 8.240 nan 0.000 0.480 371 R N 1.526 122.045 120.500 0.031 0.000 2.457 371 R HA 0.475 4.815 4.340 -0.000 0.000 0.284 371 R C -0.342 175.987 176.300 0.047 0.000 1.024 371 R CA -0.286 55.831 56.100 0.029 0.000 1.025 371 R CB 0.770 31.081 30.300 0.019 0.000 1.063 371 R HN 0.092 nan 8.270 nan 0.000 0.493 372 T N 4.169 118.752 114.554 0.049 0.000 2.870 372 T HA 0.262 4.612 4.350 -0.000 0.000 0.300 372 T C -0.110 174.631 174.700 0.069 0.000 0.989 372 T CA -0.047 62.095 62.100 0.069 0.000 1.139 372 T CB 0.187 69.089 68.868 0.058 0.000 0.920 372 T HN 0.203 nan 8.240 nan 0.000 0.537 373 L N 2.357 123.633 121.223 0.088 0.000 2.346 373 L HA 0.834 5.174 4.340 -0.000 0.000 0.274 373 L C -0.066 176.894 176.870 0.150 0.000 1.007 373 L CA -1.208 53.688 54.840 0.094 0.000 0.818 373 L CB 1.779 43.873 42.059 0.058 0.000 1.284 373 L HN 0.644 nan 8.230 nan 0.000 0.424 374 A N 3.643 126.569 122.820 0.177 0.000 2.393 374 A HA 0.858 5.178 4.320 -0.000 0.000 0.306 374 A C -1.229 176.511 177.584 0.260 0.000 1.050 374 A CA -0.407 51.774 52.037 0.239 0.000 0.724 374 A CB 1.702 20.878 19.000 0.293 0.000 1.248 374 A HN 0.707 nan 8.150 nan 0.000 0.424 375 I N 1.518 122.233 120.570 0.240 0.000 2.769 375 I HA 0.357 4.527 4.170 -0.000 0.000 0.298 375 I C -0.878 175.361 176.117 0.204 0.000 1.128 375 I CA -0.503 60.945 61.300 0.247 0.000 1.031 375 I CB 2.087 40.218 38.000 0.218 0.000 1.235 375 I HN 0.891 nan 8.210 nan 0.000 0.423 376 H N 7.778 126.884 119.070 0.060 0.000 2.683 376 H HA 0.363 4.919 4.556 -0.000 0.000 0.270 376 H C -2.208 173.131 175.328 0.020 0.000 1.201 376 H CA -2.131 53.900 56.048 -0.028 0.000 1.277 376 H CB 1.424 31.115 29.762 -0.120 0.000 1.400 376 H HN 0.347 nan 8.280 nan 0.000 0.504 377 P HA -0.152 nan 4.420 nan 0.000 0.216 377 P C 1.475 178.687 177.300 -0.146 0.000 1.150 377 P CA 1.716 64.809 63.100 -0.011 0.000 0.837 377 P CB 0.162 31.879 31.700 0.027 0.000 0.786 378 A N 0.299 122.883 122.820 -0.393 0.000 1.948 378 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 378 A C 2.173 179.649 177.584 -0.180 0.000 1.177 378 A CA 2.508 54.404 52.037 -0.235 0.000 0.636 378 A CB -1.587 17.377 19.000 -0.059 0.000 0.815 378 A HN 0.378 nan 8.150 nan 0.000 0.449 379 S N -3.370 111.996 115.700 -0.556 0.000 2.634 379 S HA 0.311 4.781 4.470 -0.000 0.000 0.221 379 S C 0.789 175.376 174.600 -0.022 0.000 0.952 379 S CA 0.765 58.871 58.200 -0.156 0.000 0.930 379 S CB 0.231 63.302 63.200 -0.214 0.000 0.780 379 S HN 0.443 nan 8.310 nan 0.000 0.498 380 T N 0.527 115.069 114.554 -0.019 0.000 3.324 380 T HA 0.147 4.497 4.350 -0.000 0.000 0.127 380 T C 1.400 176.118 174.700 0.030 0.000 0.836 380 T CA 0.611 62.733 62.100 0.037 0.000 0.774 380 T CB -0.445 68.473 68.868 0.083 0.000 1.366 380 T HN 0.166 nan 8.240 nan 0.000 0.277 381 T N 1.625 116.205 114.554 0.043 0.000 2.649 381 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 381 T C 0.960 175.568 174.700 -0.154 0.000 1.036 381 T CA 2.115 64.200 62.100 -0.025 0.000 1.157 381 T CB -0.372 68.543 68.868 0.079 0.000 0.861 381 T HN 0.432 nan 8.240 nan 0.000 0.445 382 H N -0.301 118.748 119.070 -0.035 0.000 2.505 382 H HA 0.348 4.904 4.556 -0.000 0.000 0.286 382 H C 1.852 177.170 175.328 -0.016 0.000 1.072 382 H CA 0.172 56.200 56.048 -0.032 0.000 1.141 382 H CB 0.092 29.827 29.762 -0.044 0.000 1.550 382 H HN 0.304 nan 8.280 nan 0.000 0.547 383 S N -0.050 115.694 115.700 0.074 0.000 2.584 383 S HA -0.216 4.254 4.470 -0.000 0.000 0.240 383 S C 1.751 176.381 174.600 0.049 0.000 0.975 383 S CA 1.119 59.361 58.200 0.070 0.000 0.949 383 S CB 0.066 63.305 63.200 0.064 0.000 0.761 383 S HN 0.702 nan 8.310 nan 0.000 0.536 384 Q N 0.278 120.098 119.800 0.033 0.000 2.350 384 Q HA 0.337 4.677 4.340 -0.000 0.000 0.225 384 Q C 0.288 176.301 176.000 0.021 0.000 0.878 384 Q CA -0.288 55.527 55.803 0.019 0.000 0.935 384 Q CB -0.040 28.701 28.738 0.004 0.000 1.099 384 Q HN 0.510 nan 8.270 nan 0.000 0.527 385 L N 3.161 124.404 121.223 0.034 0.000 2.456 385 L HA 0.174 4.514 4.340 -0.000 0.000 0.272 385 L C 0.599 177.483 176.870 0.023 0.000 1.189 385 L CA -0.343 54.517 54.840 0.033 0.000 0.846 385 L CB 0.712 42.805 42.059 0.057 0.000 1.111 385 L HN 0.298 nan 8.230 nan 0.000 0.475 386 S N 2.274 117.979 115.700 0.009 0.000 2.589 386 S HA 0.160 4.630 4.470 -0.000 0.000 0.265 386 S C -1.865 172.730 174.600 -0.008 0.000 1.342 386 S CA -1.068 57.130 58.200 -0.004 0.000 1.005 386 S CB 0.804 63.999 63.200 -0.009 0.000 0.909 386 S HN 0.445 nan 8.310 nan 0.000 0.555 387 P HA -0.066 nan 4.420 nan 0.000 0.222 387 P C 1.188 178.475 177.300 -0.022 0.000 1.147 387 P CA 1.329 64.414 63.100 -0.025 0.000 0.790 387 P CB -0.009 31.664 31.700 -0.044 0.000 0.780 388 E N 0.793 120.979 120.200 -0.022 0.000 2.140 388 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 388 E C 1.879 178.463 176.600 -0.026 0.000 0.973 388 E CA 0.578 56.964 56.400 -0.024 0.000 0.829 388 E CB -1.084 28.603 29.700 -0.022 0.000 0.781 388 E HN 0.254 nan 8.360 nan 0.000 0.466 389 E N 1.049 121.238 120.200 -0.020 0.000 2.204 389 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 389 E C 2.009 178.592 176.600 -0.029 0.000 0.989 389 E CA 0.812 57.199 56.400 -0.022 0.000 0.824 389 E CB -0.279 29.415 29.700 -0.010 0.000 0.756 389 E HN 0.408 nan 8.360 nan 0.000 0.477 390 Q N 1.231 121.019 119.800 -0.020 0.000 1.927 390 Q HA -0.207 4.133 4.340 -0.000 0.000 0.210 390 Q C 2.510 178.469 176.000 -0.069 0.000 1.001 390 Q CA 2.000 57.779 55.803 -0.040 0.000 0.862 390 Q CB -0.442 28.280 28.738 -0.026 0.000 0.934 390 Q HN 0.431 nan 8.270 nan 0.000 0.420 391 A N 0.932 123.722 122.820 -0.050 0.000 1.940 391 A HA -0.374 3.946 4.320 -0.000 0.000 0.221 391 A C 2.056 179.598 177.584 -0.070 0.000 1.190 391 A CA 2.202 54.206 52.037 -0.055 0.000 0.647 391 A CB -0.913 18.064 19.000 -0.040 0.000 0.821 391 A HN 0.456 nan 8.150 nan 0.000 0.457 392 Q N -0.332 119.428 119.800 -0.067 0.000 2.118 392 Q HA -0.188 4.152 4.340 -0.000 0.000 0.211 392 Q C 1.906 177.838 176.000 -0.112 0.000 0.998 392 Q CA 2.613 58.369 55.803 -0.078 0.000 0.872 392 Q CB -0.567 28.131 28.738 -0.067 0.000 0.925 392 Q HN 0.641 nan 8.270 nan 0.000 0.414 393 A N -1.062 121.680 122.820 -0.130 0.000 2.239 393 A HA 0.287 4.607 4.320 -0.000 0.000 0.209 393 A C 1.447 178.933 177.584 -0.163 0.000 1.171 393 A CA 0.936 52.867 52.037 -0.176 0.000 0.768 393 A CB -0.779 18.119 19.000 -0.170 0.000 0.790 393 A HN 0.842 nan 8.150 nan 0.000 0.478 394 G N -1.985 106.737 108.800 -0.129 0.000 2.132 394 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.228 394 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.228 394 G C -0.021 174.814 174.900 -0.109 0.000 1.000 394 G CA 0.067 45.103 45.100 -0.107 0.000 0.693 394 G HN 0.855 nan 8.290 nan 0.000 0.515 395 V N 2.035 121.864 119.914 -0.141 0.000 2.294 395 V HA 0.634 4.754 4.120 -0.000 0.000 0.272 395 V C 0.788 176.848 176.094 -0.056 0.000 1.027 395 V CA -0.079 62.128 62.300 -0.154 0.000 0.823 395 V CB 1.230 32.819 31.823 -0.390 0.000 1.030 395 V HN 0.918 nan 8.190 nan 0.000 0.457 396 S N 6.603 122.316 115.700 0.022 0.000 2.554 396 S HA 0.479 4.949 4.470 -0.000 0.000 0.278 396 S C -1.247 173.442 174.600 0.147 0.000 1.242 396 S CA -1.285 56.964 58.200 0.082 0.000 1.051 396 S CB 1.728 64.989 63.200 0.102 0.000 0.986 396 S HN 0.510 nan 8.310 nan 0.000 0.502 397 P HA -0.044 nan 4.420 nan 0.000 0.229 397 P C 0.894 178.397 177.300 0.338 0.000 1.160 397 P CA 0.789 64.063 63.100 0.291 0.000 0.777 397 P CB 0.007 31.871 31.700 0.273 0.000 0.814 398 E N 0.025 120.347 120.200 0.204 0.000 2.479 398 E HA -0.002 4.348 4.350 -0.000 0.000 0.193 398 E C 0.683 177.204 176.600 -0.132 0.000 1.049 398 E CA -0.278 56.146 56.400 0.040 0.000 0.870 398 E CB -0.666 29.052 29.700 0.029 0.000 0.944 398 E HN 0.303 nan 8.360 nan 0.000 0.492 399 M N 1.744 121.362 119.600 0.030 0.000 2.162 399 M HA 0.254 4.734 4.480 -0.000 0.000 0.356 399 M C -1.288 174.920 176.300 -0.154 0.000 1.303 399 M CA -0.388 54.854 55.300 -0.096 0.000 1.116 399 M CB 1.177 33.894 32.600 0.194 0.000 1.632 399 M HN -0.237 nan 8.290 nan 0.000 0.469 400 V N 6.005 125.585 119.914 -0.558 0.000 2.435 400 V HA 0.484 4.604 4.120 -0.000 0.000 0.290 400 V C -0.097 175.847 176.094 -0.250 0.000 1.030 400 V CA -0.735 61.279 62.300 -0.477 0.000 0.881 400 V CB 1.621 32.852 31.823 -0.987 0.000 0.983 400 V HN 0.904 nan 8.190 nan 0.000 0.445 401 R N 3.813 124.327 120.500 0.024 0.000 2.346 401 R HA 0.639 4.979 4.340 -0.000 0.000 0.311 401 R C -1.529 174.902 176.300 0.217 0.000 0.983 401 R CA -0.653 55.540 56.100 0.154 0.000 0.880 401 R CB 1.155 31.567 30.300 0.186 0.000 1.100 401 R HN 0.571 nan 8.270 nan 0.000 0.453 402 L N 3.171 124.551 121.223 0.262 0.000 2.325 402 L HA 0.345 4.685 4.340 -0.000 0.000 0.281 402 L C -0.850 176.150 176.870 0.216 0.000 1.004 402 L CA 0.136 55.135 54.840 0.264 0.000 0.823 402 L CB 1.967 44.206 42.059 0.299 0.000 1.236 402 L HN 0.632 nan 8.230 nan 0.000 0.415 403 S N 4.426 120.236 115.700 0.184 0.000 2.461 403 S HA 0.555 5.025 4.470 -0.000 0.000 0.322 403 S C -0.588 174.109 174.600 0.163 0.000 1.063 403 S CA -0.603 57.700 58.200 0.172 0.000 1.120 403 S CB 0.496 63.758 63.200 0.104 0.000 0.968 403 S HN 0.362 nan 8.310 nan 0.000 0.467 404 V N 5.803 125.825 119.914 0.181 0.000 2.488 404 V HA 0.527 4.647 4.120 -0.000 0.000 0.277 404 V C 1.347 177.608 176.094 0.280 0.000 1.046 404 V CA 0.078 62.474 62.300 0.161 0.000 0.986 404 V CB 0.855 32.732 31.823 0.090 0.000 0.989 404 V HN 0.950 nan 8.190 nan 0.000 0.475 405 G N 3.402 112.304 108.800 0.170 0.000 2.641 405 G HA2 0.526 4.486 3.960 -0.000 0.000 0.239 405 G HA3 0.526 4.486 3.960 -0.000 0.000 0.239 405 G C 0.275 175.158 174.900 -0.028 0.000 1.402 405 G CA -0.659 44.525 45.100 0.139 0.000 1.046 405 G HN 0.609 nan 8.290 nan 0.000 0.565 406 L N -0.318 120.841 121.223 -0.106 0.000 2.808 406 L HA 0.275 4.615 4.340 -0.000 0.000 0.246 406 L C 0.432 177.253 176.870 -0.082 0.000 1.153 406 L CA -0.115 54.625 54.840 -0.167 0.000 0.956 406 L CB 0.139 42.061 42.059 -0.228 0.000 1.270 406 L HN 0.332 nan 8.230 nan 0.000 0.528 407 E N -0.000 120.175 120.200 -0.041 0.000 2.455 407 E HA -0.045 4.305 4.350 -0.000 0.000 0.259 407 E C 0.381 176.976 176.600 -0.007 0.000 1.245 407 E CA 0.141 56.536 56.400 -0.008 0.000 1.013 407 E CB 0.222 29.921 29.700 -0.002 0.000 0.978 407 E HN 0.023 nan 8.360 nan 0.000 0.479 408 H N 1.037 120.078 119.070 -0.048 0.000 2.886 408 H HA -0.022 4.534 4.556 -0.000 0.000 0.329 408 H C 1.108 176.395 175.328 -0.068 0.000 1.044 408 H CA -0.094 55.924 56.048 -0.050 0.000 1.456 408 H CB 0.998 30.732 29.762 -0.047 0.000 1.464 408 H HN 0.355 nan 8.280 nan 0.000 0.573 409 V N 5.529 125.218 119.914 -0.375 0.000 2.568 409 V HA -0.201 3.919 4.120 -0.000 0.000 0.253 409 V C 1.778 177.786 176.094 -0.144 0.000 1.072 409 V CA 1.927 64.096 62.300 -0.219 0.000 1.084 409 V CB -0.157 31.545 31.823 -0.202 0.000 0.676 409 V HN 0.699 nan 8.190 nan 0.000 0.469 410 E N -0.254 119.991 120.200 0.075 0.000 2.204 410 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 410 E C 1.903 178.495 176.600 -0.015 0.000 0.989 410 E CA 1.219 57.648 56.400 0.048 0.000 0.824 410 E CB -0.310 29.475 29.700 0.142 0.000 0.756 410 E HN 0.682 nan 8.360 nan 0.000 0.477 411 D N 0.321 120.748 120.400 0.046 0.000 2.194 411 D HA -0.030 4.610 4.640 -0.000 0.000 0.204 411 D C 2.175 178.430 176.300 -0.075 0.000 0.964 411 D CA 0.328 54.316 54.000 -0.020 0.000 0.846 411 D CB 0.013 40.817 40.800 0.006 0.000 0.962 411 D HN 0.167 nan 8.370 nan 0.000 0.490 412 L N 0.720 121.881 121.223 -0.103 0.000 2.027 412 L HA -0.149 4.191 4.340 -0.000 0.000 0.206 412 L C 2.394 179.094 176.870 -0.283 0.000 1.074 412 L CA 1.134 55.886 54.840 -0.147 0.000 0.745 412 L CB -0.244 41.733 42.059 -0.137 0.000 0.898 412 L HN -0.061 nan 8.230 nan 0.000 0.433 413 K N 0.173 120.292 120.400 -0.469 0.000 2.044 413 K HA -0.214 4.106 4.320 -0.000 0.000 0.210 413 K C 2.200 178.545 176.600 -0.424 0.000 1.049 413 K CA 1.667 57.441 56.287 -0.856 0.000 0.927 413 K CB -0.366 31.525 32.500 -1.015 0.000 0.713 413 K HN 0.300 nan 8.250 nan 0.000 0.443 414 A N 1.344 124.040 122.820 -0.207 0.000 1.933 414 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 414 A C 2.091 179.651 177.584 -0.041 0.000 1.175 414 A CA 1.410 53.402 52.037 -0.075 0.000 0.628 414 A CB -0.320 18.651 19.000 -0.049 0.000 0.814 414 A HN 0.270 nan 8.150 nan 0.000 0.444 415 E N -0.151 120.009 120.200 -0.067 0.000 2.028 415 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 415 E C 2.076 178.678 176.600 0.002 0.000 0.988 415 E CA 1.108 57.484 56.400 -0.041 0.000 0.799 415 E CB -0.236 29.432 29.700 -0.054 0.000 0.755 415 E HN 0.639 nan 8.360 nan 0.000 0.447 416 L N 0.881 122.117 121.223 0.021 0.000 1.956 416 L HA -0.270 4.070 4.340 -0.000 0.000 0.216 416 L C 2.736 179.801 176.870 0.324 0.000 1.073 416 L CA 1.857 56.825 54.840 0.213 0.000 0.762 416 L CB -0.706 41.472 42.059 0.198 0.000 0.889 416 L HN 0.097 nan 8.230 nan 0.000 0.433 417 K N 0.356 120.993 120.400 0.395 0.000 2.097 417 K HA -0.290 4.030 4.320 -0.000 0.000 0.214 417 K C 2.012 178.731 176.600 0.198 0.000 1.052 417 K CA 2.074 58.585 56.287 0.372 0.000 0.932 417 K CB -0.296 32.431 32.500 0.378 0.000 0.716 417 K HN 0.241 nan 8.250 nan 0.000 0.455 418 E N -1.016 119.262 120.200 0.129 0.000 2.371 418 E HA 0.006 4.356 4.350 -0.000 0.000 0.194 418 E C 1.570 178.208 176.600 0.065 0.000 1.012 418 E CA 0.742 57.189 56.400 0.078 0.000 0.860 418 E CB 0.104 29.827 29.700 0.038 0.000 0.811 418 E HN 0.499 nan 8.360 nan 0.000 0.502 419 A N 0.311 123.176 122.820 0.074 0.000 2.123 419 A HA -0.041 4.279 4.320 -0.000 0.000 0.214 419 A C 1.758 179.463 177.584 0.201 0.000 1.152 419 A CA 0.356 52.399 52.037 0.009 0.000 0.728 419 A CB 0.045 18.889 19.000 -0.260 0.000 0.814 419 A HN 0.147 nan 8.150 nan 0.000 0.464 420 L N -1.078 120.310 121.223 0.275 0.000 2.592 420 L HA 0.413 4.753 4.340 -0.000 0.000 0.227 420 L C 1.117 178.071 176.870 0.140 0.000 1.127 420 L CA 0.259 55.268 54.840 0.281 0.000 0.884 420 L CB -0.740 41.468 42.059 0.247 0.000 1.065 420 L HN 0.354 nan 8.230 nan 0.000 0.457 421 A N 0.000 122.883 122.820 0.104 0.000 2.254 421 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 421 A CA 0.000 52.075 52.037 0.062 0.000 0.836 421 A CB 0.000 19.032 19.000 0.053 0.000 0.831 421 A HN 0.000 nan 8.150 nan 0.000 0.486