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 1t8n_1_C DATA FIRST_RESID 1 DATA SEQUENCE cGVPAIQPVL SXXXXIVNGE EAVPGSWPWQ VSLQDKTGFH FcGGSLINEN DATA SEQUENCE WVVTAAHcGV TTSDVVVAGE FDQGSSSEKI QKLKIAKVFK NSKYNSLTIN DATA SEQUENCE NDITLLKLST AASFSQTVSA VcLPSASDDF AAGTTcVTTG WGLTRYXXAN DATA SEQUENCE TPDRLQQASL PLLSNTNcKK YWGTKIKDAM IcAGASGVSS cMGDSGGPLV DATA SEQUENCE cKKNGAWTLV GIVSWGSSTc STSTPGVYAR VTALVNWVQQ TLAAN 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 c HA 0.000 nan 4.570 nan 0.000 0.325 1 c C 0.000 174.159 174.090 0.114 0.000 1.270 1 c CA 0.000 56.406 56.329 0.129 0.000 1.963 1 c CB 0.000 42.556 42.510 0.076 0.000 2.134 2 G N 0.130 108.988 108.800 0.096 0.000 2.175 2 G HA2 -0.097 3.867 3.960 0.007 0.000 0.265 2 G HA3 -0.097 3.867 3.960 0.007 0.000 0.265 2 G C -0.141 175.013 174.900 0.423 0.000 0.979 2 G CA 0.573 45.764 45.100 0.151 0.000 0.663 2 G HN 2.029 nan 8.290 nan 0.000 0.533 3 V N 1.525 121.662 119.914 0.372 0.000 2.327 3 V HA 0.367 4.491 4.120 0.007 0.000 0.272 3 V C -1.773 174.470 176.094 0.248 0.000 1.019 3 V CA -1.521 60.962 62.300 0.305 0.000 0.814 3 V CB 1.501 33.423 31.823 0.166 0.000 1.040 3 V HN 0.143 nan 8.190 nan 0.000 0.440 4 P HA 0.202 nan 4.420 nan 0.000 0.268 4 P C 0.911 178.195 177.300 -0.027 0.000 1.204 4 P CA 0.041 63.142 63.100 0.001 0.000 0.768 4 P CB 1.179 32.749 31.700 -0.217 0.000 0.842 5 A N 3.863 126.650 122.820 -0.055 0.000 1.969 5 A HA -0.037 4.287 4.320 0.007 0.000 0.218 5 A C 0.974 178.507 177.584 -0.085 0.000 1.169 5 A CA 1.018 53.027 52.037 -0.047 0.000 0.635 5 A CB -0.627 18.348 19.000 -0.043 0.000 0.810 5 A HN 0.562 nan 8.150 nan 0.000 0.445 6 I N 0.623 121.104 120.570 -0.147 0.000 2.330 6 I HA 0.132 4.306 4.170 0.007 0.000 0.286 6 I C 0.124 176.095 176.117 -0.243 0.000 1.025 6 I CA -0.352 60.837 61.300 -0.186 0.000 1.197 6 I CB 1.218 39.082 38.000 -0.228 0.000 1.358 6 I HN 0.325 nan 8.210 nan 0.000 0.467 7 Q N 8.763 128.458 119.800 -0.176 0.000 2.274 7 Q HA 0.147 4.491 4.340 0.007 0.000 0.280 7 Q C -2.089 173.744 176.000 -0.278 0.000 1.047 7 Q CA -1.271 54.428 55.803 -0.172 0.000 0.907 7 Q CB 0.770 29.463 28.738 -0.075 0.000 1.171 7 Q HN 0.324 nan 8.270 nan 0.000 0.381 8 P HA 0.034 nan 4.420 nan 0.000 0.271 8 P C -1.133 176.039 177.300 -0.214 0.000 1.218 8 P CA -0.153 62.608 63.100 -0.565 0.000 0.780 8 P CB 0.962 31.927 31.700 -1.225 0.000 0.901 9 V N 4.136 123.965 119.914 -0.142 0.000 2.407 9 V HA 0.320 4.444 4.120 0.007 0.000 0.291 9 V C 0.233 176.346 176.094 0.032 0.000 1.018 9 V CA -0.494 61.786 62.300 -0.033 0.000 0.842 9 V CB 1.217 33.012 31.823 -0.047 0.000 0.996 9 V HN 0.374 nan 8.190 nan 0.000 0.426 10 L N 3.681 124.952 121.223 0.081 0.000 2.313 10 L HA 0.557 4.901 4.340 0.007 0.000 0.283 10 L C 0.674 177.588 176.870 0.074 0.000 1.013 10 L CA -0.010 54.893 54.840 0.106 0.000 0.816 10 L CB 2.042 44.202 42.059 0.168 0.000 1.236 10 L HN 0.581 nan 8.230 nan 0.000 0.419 17 V N 5.731 125.655 119.914 0.017 0.000 2.461 17 V HA 0.271 4.395 4.120 0.007 0.000 0.275 17 V C 0.885 176.986 176.094 0.011 0.000 1.047 17 V CA 0.078 62.392 62.300 0.024 0.000 0.955 17 V CB 1.106 32.952 31.823 0.039 0.000 0.988 17 V HN 0.978 nan 8.190 nan 0.000 0.471 18 N N 2.965 121.670 118.700 0.010 0.000 2.776 18 N HA -0.143 4.601 4.740 0.007 0.000 0.250 18 N C 0.335 175.844 175.510 -0.001 0.000 1.112 18 N CA 1.056 54.109 53.050 0.006 0.000 0.733 18 N CB -0.937 37.554 38.487 0.007 0.000 1.097 18 N HN 0.978 nan 8.380 nan 0.000 0.558 19 G N -0.534 108.260 108.800 -0.010 0.000 2.574 19 G HA2 0.596 4.560 3.960 0.007 0.000 0.248 19 G HA3 0.596 4.560 3.960 0.007 0.000 0.248 19 G C -0.366 174.527 174.900 -0.011 0.000 1.422 19 G CA 0.165 45.254 45.100 -0.020 0.000 1.051 19 G HN 0.564 nan 8.290 nan 0.000 0.560 20 E N -1.410 118.783 120.200 -0.012 0.000 2.433 20 E HA 0.380 4.734 4.350 0.007 0.000 0.278 20 E C -1.127 175.480 176.600 0.012 0.000 0.976 20 E CA -0.795 55.609 56.400 0.006 0.000 0.793 20 E CB 1.758 31.471 29.700 0.020 0.000 1.311 20 E HN 0.398 nan 8.360 nan 0.000 0.460 21 E N 0.844 121.064 120.200 0.034 0.000 2.376 21 E HA 0.312 4.666 4.350 0.007 0.000 0.266 21 E C -0.689 175.980 176.600 0.115 0.000 1.009 21 E CA -0.153 56.291 56.400 0.075 0.000 0.902 21 E CB 0.768 30.534 29.700 0.109 0.000 0.972 21 E HN 0.545 nan 8.360 nan 0.000 0.439 22 A N 3.638 126.562 122.820 0.174 0.000 2.304 22 A HA 0.290 4.614 4.320 0.007 0.000 0.271 22 A C -0.342 177.283 177.584 0.069 0.000 1.091 22 A CA -0.681 51.463 52.037 0.177 0.000 0.812 22 A CB 0.922 20.097 19.000 0.291 0.000 1.056 22 A HN 0.515 nan 8.150 nan 0.000 0.489 23 V N 2.905 122.754 119.914 -0.107 0.000 2.585 23 V HA 0.120 4.244 4.120 0.007 0.000 0.296 23 V C -2.021 173.818 176.094 -0.425 0.000 1.035 23 V CA -0.712 61.432 62.300 -0.260 0.000 1.084 23 V CB 0.544 32.204 31.823 -0.271 0.000 0.953 23 V HN 0.731 nan 8.190 nan 0.000 0.483 24 P HA 0.125 nan 4.420 nan 0.000 0.260 24 P C 0.938 177.961 177.300 -0.461 0.000 1.185 24 P CA 1.503 64.008 63.100 -0.993 0.000 0.763 24 P CB 0.319 31.340 31.700 -1.131 0.000 0.776 25 G N 3.052 111.683 108.800 -0.282 0.000 2.184 25 G HA2 -0.320 3.644 3.960 0.007 0.000 0.264 25 G HA3 -0.320 3.644 3.960 0.007 0.000 0.264 25 G C 1.081 175.771 174.900 -0.350 0.000 0.975 25 G CA 0.570 45.533 45.100 -0.227 0.000 0.642 25 G HN 0.593 nan 8.290 nan 0.000 0.536 26 S N -1.747 113.657 115.700 -0.494 0.000 2.607 26 S HA 0.178 4.652 4.470 0.007 0.000 0.224 26 S C 0.649 174.524 174.600 -1.208 0.000 0.969 26 S CA 0.652 58.376 58.200 -0.792 0.000 0.927 26 S CB -0.284 62.381 63.200 -0.891 0.000 0.772 26 S HN 0.652 nan 8.310 nan 0.000 0.533 27 W N 2.078 123.007 121.300 -0.618 0.000 1.950 27 W HA 0.409 5.074 4.660 0.007 0.000 0.289 27 W C -2.048 173.872 176.519 -0.999 0.000 0.883 27 W CA -2.142 54.565 57.345 -1.063 0.000 2.031 27 W CB 1.030 30.002 29.460 -0.814 0.000 2.266 27 W HN 0.068 nan 8.180 nan 0.000 0.400 28 P HA -0.226 nan 4.420 nan 0.000 0.222 28 P C 0.842 178.018 177.300 -0.207 0.000 1.142 28 P CA 1.833 64.712 63.100 -0.369 0.000 0.788 28 P CB 0.040 31.573 31.700 -0.278 0.000 0.767 29 W N -0.270 121.029 121.300 -0.001 0.000 3.077 29 W HA 0.339 5.003 4.660 0.006 0.000 0.266 29 W C 0.776 177.321 176.519 0.045 0.000 1.300 29 W CA -0.487 56.858 57.345 -0.001 0.000 1.586 29 W CB -1.496 27.976 29.460 0.020 0.000 1.103 29 W HN -0.145 nan 8.180 nan 0.000 0.652 30 Q N 3.034 122.818 119.800 -0.027 0.000 2.271 30 Q HA 0.294 4.639 4.340 0.007 0.000 0.273 30 Q C -0.193 175.919 176.000 0.187 0.000 1.051 30 Q CA -0.075 55.773 55.803 0.075 0.000 0.901 30 Q CB 0.853 29.526 28.738 -0.110 0.000 1.174 30 Q HN 0.254 nan 8.270 nan 0.000 0.385 31 V N 0.944 120.998 119.914 0.234 0.000 3.046 31 V HA 0.824 4.949 4.120 0.007 0.000 0.316 31 V C -0.547 175.717 176.094 0.284 0.000 1.104 31 V CA -0.827 61.611 62.300 0.230 0.000 1.006 31 V CB 2.006 33.914 31.823 0.141 0.000 1.058 31 V HN 0.697 nan 8.190 nan 0.000 0.440 32 S N 2.252 118.039 115.700 0.144 0.000 2.449 32 S HA 0.690 5.164 4.470 0.007 0.000 0.310 32 S C -0.702 173.812 174.600 -0.143 0.000 1.096 32 S CA -0.723 57.502 58.200 0.043 0.000 1.095 32 S CB 0.468 63.533 63.200 -0.225 0.000 1.007 32 S HN 0.751 nan 8.310 nan 0.000 0.474 33 L N 5.052 126.043 121.223 -0.388 0.000 2.264 33 L HA 0.511 4.855 4.340 0.007 0.000 0.289 33 L C 0.153 176.595 176.870 -0.715 0.000 1.044 33 L CA -0.402 54.097 54.840 -0.568 0.000 0.807 33 L CB 1.100 42.648 42.059 -0.851 0.000 1.192 33 L HN 0.662 nan 8.230 nan 0.000 0.425 34 Q N 1.371 121.052 119.800 -0.199 0.000 2.433 34 Q HA 0.329 4.673 4.340 0.007 0.000 0.279 34 Q C -1.151 175.054 176.000 0.343 0.000 1.105 34 Q CA -1.065 54.789 55.803 0.084 0.000 0.815 34 Q CB 2.754 31.500 28.738 0.012 0.000 1.403 34 Q HN 0.634 nan 8.270 nan 0.000 0.435 35 D N -0.139 120.493 120.400 0.386 0.000 2.447 35 D HA 0.006 4.651 4.640 0.007 0.000 0.265 35 D C 0.611 176.994 176.300 0.139 0.000 1.250 35 D CA -0.470 53.668 54.000 0.230 0.000 1.046 35 D CB 0.554 41.439 40.800 0.141 0.000 1.095 35 D HN 0.587 nan 8.370 nan 0.000 0.555 36 K N -1.656 118.791 120.400 0.080 0.000 2.442 36 K HA -0.146 4.178 4.320 0.007 0.000 0.199 36 K C 1.304 177.935 176.600 0.052 0.000 1.044 36 K CA 1.556 57.874 56.287 0.052 0.000 0.941 36 K CB -0.715 31.801 32.500 0.026 0.000 0.759 36 K HN 0.534 nan 8.250 nan 0.000 0.472 37 T N -3.755 110.843 114.554 0.073 0.000 3.060 37 T HA 0.278 4.632 4.350 0.007 0.000 0.249 37 T C 1.351 176.103 174.700 0.087 0.000 1.079 37 T CA 0.227 62.369 62.100 0.070 0.000 1.013 37 T CB 0.407 69.317 68.868 0.070 0.000 0.975 37 T HN 0.457 nan 8.240 nan 0.000 0.518 38 G N 0.960 109.823 108.800 0.104 0.000 2.148 38 G HA2 -0.179 3.785 3.960 0.007 0.000 0.203 38 G HA3 -0.179 3.785 3.960 0.007 0.000 0.203 38 G C -0.233 174.727 174.900 0.101 0.000 0.993 38 G CA -0.245 44.897 45.100 0.069 0.000 0.661 38 G HN 0.606 nan 8.290 nan 0.000 0.518 39 F N 2.828 122.809 119.950 0.051 0.000 2.471 39 F HA 0.585 5.116 4.527 0.005 0.000 0.365 39 F C 0.893 176.778 175.800 0.142 0.000 1.095 39 F CA -0.898 57.153 58.000 0.083 0.000 1.174 39 F CB 0.343 39.392 39.000 0.082 0.000 1.105 39 F HN 0.303 nan 8.300 nan 0.000 0.535 40 H N 7.023 125.745 119.070 -0.580 0.000 2.899 40 H HA 0.170 4.730 4.556 0.006 0.000 0.303 40 H C 0.120 175.240 175.328 -0.348 0.000 1.042 40 H CA 0.217 55.999 56.048 -0.443 0.000 1.479 40 H CB 0.323 29.794 29.762 -0.485 0.000 1.493 40 H HN 0.620 nan 8.280 nan 0.000 0.534 41 F N 1.291 120.917 119.950 -0.541 0.000 2.784 41 F HA 0.444 4.975 4.527 0.006 0.000 0.323 41 F C -0.397 175.231 175.800 -0.287 0.000 1.085 41 F CA -0.688 57.183 58.000 -0.214 0.000 1.196 41 F CB -0.025 39.014 39.000 0.064 0.000 1.053 41 F HN 0.433 nan 8.300 nan 0.000 0.578 42 c N 0.223 118.188 118.600 -1.059 0.000 3.306 42 c HA 0.753 5.327 4.570 0.007 0.000 0.335 42 c C 0.517 174.329 174.090 -0.463 0.000 1.382 42 c CA -0.543 55.448 56.329 -0.562 0.000 1.254 42 c CB 1.199 43.466 42.510 -0.406 0.000 1.555 42 c HN 0.680 nan 8.230 nan 0.000 0.463 43 G N -0.304 108.442 108.800 -0.091 0.000 2.601 43 G HA2 0.855 4.819 3.960 0.007 0.000 0.317 43 G HA3 0.855 4.819 3.960 0.007 0.000 0.317 43 G C -0.391 174.519 174.900 0.016 0.000 1.246 43 G CA 0.133 45.280 45.100 0.078 0.000 1.012 43 G HN 1.497 nan 8.290 nan 0.000 0.494 44 G N -1.808 107.043 108.800 0.086 0.000 2.506 44 G HA2 0.533 4.497 3.960 0.007 0.000 0.292 44 G HA3 0.533 4.497 3.960 0.007 0.000 0.292 44 G C -1.434 173.557 174.900 0.152 0.000 1.425 44 G CA -0.289 44.864 45.100 0.089 0.000 0.788 44 G HN 0.929 nan 8.290 nan 0.000 0.490 45 S N -0.409 115.391 115.700 0.166 0.000 2.571 45 S HA 0.532 5.006 4.470 0.007 0.000 0.284 45 S C -0.321 174.407 174.600 0.212 0.000 1.128 45 S CA -0.530 57.808 58.200 0.230 0.000 0.970 45 S CB 1.492 64.799 63.200 0.179 0.000 1.039 45 S HN 0.582 nan 8.310 nan 0.000 0.485 46 L N 3.743 125.122 121.223 0.259 0.000 2.410 46 L HA 0.328 4.672 4.340 0.007 0.000 0.273 46 L C 1.258 178.268 176.870 0.233 0.000 1.152 46 L CA -0.011 54.982 54.840 0.255 0.000 0.855 46 L CB 0.373 42.587 42.059 0.258 0.000 1.129 46 L HN 0.787 nan 8.230 nan 0.000 0.463 47 I N -0.561 120.151 120.570 0.236 0.000 4.035 47 I HA 0.286 4.460 4.170 0.007 0.000 0.321 47 I C 0.156 176.408 176.117 0.226 0.000 1.289 47 I CA -0.157 61.244 61.300 0.169 0.000 1.236 47 I CB 0.259 38.322 38.000 0.105 0.000 1.076 47 I HN 0.738 nan 8.210 nan 0.000 0.418 48 N N 0.223 119.123 118.700 0.334 0.000 3.339 48 N HA 0.024 4.768 4.740 0.007 0.000 0.275 48 N C 0.377 176.105 175.510 0.365 0.000 1.514 48 N CA -0.183 53.068 53.050 0.335 0.000 0.879 48 N CB 0.237 38.828 38.487 0.174 0.000 1.557 48 N HN 0.028 nan 8.380 nan 0.000 0.524 49 E N -0.428 119.786 120.200 0.023 0.000 2.338 49 E HA -0.107 4.247 4.350 0.007 0.000 0.197 49 E C -0.383 176.273 176.600 0.093 0.000 1.007 49 E CA 1.182 57.555 56.400 -0.046 0.000 0.849 49 E CB -0.401 29.078 29.700 -0.368 0.000 0.774 49 E HN 0.584 nan 8.360 nan 0.000 0.506 50 N N -0.760 118.027 118.700 0.145 0.000 2.171 50 N HA 0.078 4.822 4.740 0.007 0.000 0.212 50 N C -0.855 174.573 175.510 -0.136 0.000 1.184 50 N CA 0.069 53.131 53.050 0.020 0.000 0.888 50 N CB 0.428 38.917 38.487 0.005 0.000 1.038 50 N HN 0.086 nan 8.380 nan 0.000 0.517 51 W N 0.686 122.023 121.300 0.062 0.000 2.915 51 W HA 0.563 5.227 4.660 0.006 0.000 0.337 51 W C -0.568 176.005 176.519 0.091 0.000 1.102 51 W CA -0.551 56.828 57.345 0.056 0.000 1.224 51 W CB 1.288 30.748 29.460 0.001 0.000 1.416 51 W HN -0.433 nan 8.180 nan 0.000 0.503 52 V N 3.425 123.520 119.914 0.302 0.000 2.604 52 V HA 0.541 4.665 4.120 0.007 0.000 0.305 52 V C -0.868 175.369 176.094 0.239 0.000 1.043 52 V CA -1.195 61.243 62.300 0.230 0.000 0.888 52 V CB 1.822 33.739 31.823 0.156 0.000 0.995 52 V HN 0.335 nan 8.190 nan 0.000 0.429 53 V N 4.637 124.670 119.914 0.198 0.000 2.435 53 V HA 0.829 4.953 4.120 0.007 0.000 0.290 53 V C 0.016 176.192 176.094 0.137 0.000 1.030 53 V CA 0.547 62.959 62.300 0.188 0.000 0.881 53 V CB 1.873 33.793 31.823 0.161 0.000 0.983 53 V HN 1.103 nan 8.190 nan 0.000 0.445 54 T N 4.429 119.056 114.554 0.121 0.000 2.618 54 T HA 0.773 5.127 4.350 0.007 0.000 0.293 54 T C -0.645 174.061 174.700 0.011 0.000 1.093 54 T CA 0.114 62.246 62.100 0.052 0.000 1.061 54 T CB 1.583 70.464 68.868 0.021 0.000 1.498 54 T HN 1.200 nan 8.240 nan 0.000 0.494 55 A N 0.327 123.097 122.820 -0.084 0.000 2.304 55 A HA 0.750 5.074 4.320 0.007 0.000 0.301 55 A C 1.399 178.824 177.584 -0.266 0.000 1.132 55 A CA 0.212 52.144 52.037 -0.175 0.000 0.819 55 A CB 0.448 19.259 19.000 -0.314 0.000 1.094 55 A HN 1.154 nan 8.150 nan 0.000 0.492 56 A N 0.969 123.589 122.820 -0.334 0.000 1.930 56 A HA -0.129 4.195 4.320 0.007 0.000 0.217 56 A C 1.744 179.015 177.584 -0.522 0.000 1.175 56 A CA 1.691 53.427 52.037 -0.502 0.000 0.627 56 A CB -0.989 17.460 19.000 -0.918 0.000 0.815 56 A HN 1.078 nan 8.150 nan 0.000 0.443 57 H N -1.848 116.963 119.070 -0.432 0.000 2.561 57 H HA -0.041 4.519 4.556 0.007 0.000 0.278 57 H C 1.608 176.923 175.328 -0.022 0.000 1.014 57 H CA 1.198 57.147 56.048 -0.166 0.000 1.211 57 H CB -0.775 28.990 29.762 0.006 0.000 1.365 57 H HN 0.407 nan 8.280 nan 0.000 0.594 58 c N 1.063 119.463 118.600 -0.334 0.000 2.456 58 c HA 0.133 4.707 4.570 0.007 0.000 0.279 58 c C 2.022 176.161 174.090 0.082 0.000 1.427 58 c CA 0.850 57.151 56.329 -0.046 0.000 1.778 58 c CB -1.199 41.298 42.510 -0.022 0.000 1.842 58 c HN 0.913 nan 8.230 nan 0.000 0.531 59 G N 1.149 109.948 108.800 -0.003 0.000 2.305 59 G HA2 -0.226 3.739 3.960 0.007 0.000 0.287 59 G HA3 -0.226 3.739 3.960 0.007 0.000 0.287 59 G C 0.092 174.990 174.900 -0.003 0.000 1.036 59 G CA 0.375 45.467 45.100 -0.013 0.000 0.887 59 G HN 0.439 nan 8.290 nan 0.000 0.505 60 V N 0.676 120.647 119.914 0.094 0.000 2.763 60 V HA 0.516 4.640 4.120 0.007 0.000 0.306 60 V C 1.193 177.321 176.094 0.057 0.000 1.059 60 V CA 0.854 63.245 62.300 0.152 0.000 1.138 60 V CB 1.045 32.986 31.823 0.196 0.000 0.940 60 V HN 0.998 nan 8.190 nan 0.000 0.489 61 T N -0.613 113.968 114.554 0.044 0.000 2.864 61 T HA 0.332 4.686 4.350 0.007 0.000 0.289 61 T C 0.929 175.641 174.700 0.020 0.000 1.082 61 T CA 0.078 62.182 62.100 0.008 0.000 1.009 61 T CB 1.613 70.466 68.868 -0.025 0.000 1.234 61 T HN 0.773 nan 8.240 nan 0.000 0.526 62 T N -1.219 113.333 114.554 -0.003 0.000 3.098 62 T HA 0.016 4.370 4.350 0.007 0.000 0.266 62 T C 1.642 176.345 174.700 0.005 0.000 1.145 62 T CA 0.868 62.965 62.100 -0.004 0.000 1.092 62 T CB -0.651 68.204 68.868 -0.022 0.000 0.908 62 T HN 0.470 nan 8.240 nan 0.000 0.526 63 S N 1.077 116.780 115.700 0.006 0.000 2.528 63 S HA 0.101 4.575 4.470 0.007 0.000 0.219 63 S C 0.529 175.150 174.600 0.035 0.000 0.985 63 S CA -0.118 58.087 58.200 0.008 0.000 0.914 63 S CB -0.042 63.153 63.200 -0.009 0.000 0.776 63 S HN 0.596 nan 8.310 nan 0.000 0.526 64 D N 1.452 121.891 120.400 0.065 0.000 2.387 64 D HA 0.440 5.084 4.640 0.007 0.000 0.251 64 D C 0.113 176.472 176.300 0.099 0.000 1.141 64 D CA -0.167 53.914 54.000 0.135 0.000 0.987 64 D CB 1.535 42.498 40.800 0.272 0.000 1.116 64 D HN 0.143 nan 8.370 nan 0.000 0.491 65 V N -2.424 117.549 119.914 0.098 0.000 2.962 65 V HA 0.615 4.739 4.120 0.007 0.000 0.313 65 V C -0.448 175.658 176.094 0.020 0.000 1.099 65 V CA -0.911 61.417 62.300 0.047 0.000 0.971 65 V CB 1.820 33.663 31.823 0.034 0.000 1.028 65 V HN 0.204 nan 8.190 nan 0.000 0.430 66 V N 3.277 123.199 119.914 0.013 0.000 2.394 66 V HA 0.474 4.598 4.120 0.007 0.000 0.282 66 V C -0.073 176.026 176.094 0.009 0.000 1.031 66 V CA -0.345 61.959 62.300 0.006 0.000 0.881 66 V CB 1.529 33.371 31.823 0.030 0.000 0.982 66 V HN 0.765 nan 8.190 nan 0.000 0.451 67 V N 5.163 125.072 119.914 -0.008 0.000 2.347 67 V HA 0.753 4.877 4.120 0.007 0.000 0.280 67 V C 0.431 176.543 176.094 0.030 0.000 1.021 67 V CA -0.337 61.958 62.300 -0.010 0.000 0.847 67 V CB 1.311 33.092 31.823 -0.070 0.000 0.990 67 V HN 0.971 nan 8.190 nan 0.000 0.444 68 A N 3.385 126.237 122.820 0.052 0.000 2.311 68 A HA 0.816 5.140 4.320 0.007 0.000 0.334 68 A C 1.077 178.705 177.584 0.073 0.000 1.139 68 A CA -0.017 52.069 52.037 0.081 0.000 0.830 68 A CB 1.146 20.199 19.000 0.089 0.000 1.234 68 A HN 1.997 nan 8.150 nan 0.000 0.483 69 G N -0.236 108.613 108.800 0.080 0.000 2.176 69 G HA2 -0.206 3.758 3.960 0.007 0.000 0.252 69 G HA3 -0.206 3.758 3.960 0.007 0.000 0.252 69 G C 0.039 175.006 174.900 0.111 0.000 1.024 69 G CA 0.765 45.906 45.100 0.069 0.000 0.755 69 G HN 1.074 nan 8.290 nan 0.000 0.507 70 E N -1.423 118.882 120.200 0.175 0.000 2.242 70 E HA 0.736 5.090 4.350 0.007 0.000 0.275 70 E C 0.554 177.431 176.600 0.462 0.000 1.002 70 E CA -1.006 55.522 56.400 0.213 0.000 0.841 70 E CB 0.659 30.377 29.700 0.030 0.000 1.109 70 E HN 0.256 nan 8.360 nan 0.000 0.394 71 F N 2.112 122.210 119.950 0.246 0.000 2.212 71 F HA 0.286 4.817 4.527 0.008 0.000 0.262 71 F C -0.275 175.723 175.800 0.331 0.000 0.906 71 F CA -0.131 58.040 58.000 0.285 0.000 1.127 71 F CB 0.657 39.721 39.000 0.106 0.000 1.178 71 F HN 0.417 nan 8.300 nan 0.000 0.779 72 D N 1.541 121.904 120.400 -0.063 0.000 2.454 72 D HA 0.193 4.837 4.640 0.007 0.000 0.225 72 D C 0.297 176.511 176.300 -0.143 0.000 1.081 72 D CA -0.006 53.873 54.000 -0.202 0.000 0.864 72 D CB 1.397 42.156 40.800 -0.068 0.000 1.040 72 D HN 0.430 nan 8.370 nan 0.000 0.517 73 Q N 1.754 121.402 119.800 -0.254 0.000 2.488 73 Q HA 0.029 4.374 4.340 0.007 0.000 0.211 73 Q C 1.505 177.389 176.000 -0.193 0.000 0.967 73 Q CA 0.524 56.133 55.803 -0.323 0.000 0.926 73 Q CB 0.473 28.877 28.738 -0.556 0.000 0.992 73 Q HN 0.496 nan 8.270 nan 0.000 0.506 74 G N 0.311 109.028 108.800 -0.138 0.000 2.939 74 G HA2 -0.035 3.929 3.960 0.007 0.000 0.210 74 G HA3 -0.035 3.929 3.960 0.007 0.000 0.210 74 G C 0.310 175.178 174.900 -0.054 0.000 1.160 74 G CA -0.171 44.876 45.100 -0.087 0.000 0.770 74 G HN 0.142 nan 8.290 nan 0.000 0.543 75 S N 0.559 116.231 115.700 -0.047 0.000 2.422 75 S HA 0.380 4.854 4.470 0.007 0.000 0.298 75 S C 1.628 176.217 174.600 -0.019 0.000 1.118 75 S CA 0.150 58.341 58.200 -0.015 0.000 1.083 75 S CB 1.132 64.343 63.200 0.018 0.000 0.971 75 S HN 0.287 nan 8.310 nan 0.000 0.478 76 S N 3.441 119.132 115.700 -0.015 0.000 2.470 76 S HA -0.066 4.408 4.470 0.007 0.000 0.225 76 S C 1.718 176.315 174.600 -0.004 0.000 1.006 76 S CA 0.770 58.961 58.200 -0.014 0.000 0.934 76 S CB -0.413 62.780 63.200 -0.012 0.000 0.778 76 S HN 0.826 nan 8.310 nan 0.000 0.517 77 S N 0.644 116.346 115.700 0.003 0.000 2.528 77 S HA 0.128 4.602 4.470 0.007 0.000 0.219 77 S C 0.524 175.133 174.600 0.015 0.000 0.985 77 S CA -0.310 57.895 58.200 0.008 0.000 0.914 77 S CB -0.543 62.663 63.200 0.010 0.000 0.776 77 S HN 0.647 nan 8.310 nan 0.000 0.526 78 E N 2.202 122.414 120.200 0.020 0.000 2.452 78 E HA 0.021 4.375 4.350 0.007 0.000 0.261 78 E C -0.597 176.018 176.600 0.025 0.000 0.987 78 E CA -0.129 56.291 56.400 0.034 0.000 0.926 78 E CB 0.415 30.146 29.700 0.052 0.000 0.934 78 E HN 0.069 nan 8.360 nan 0.000 0.452 79 K N 5.485 125.902 120.400 0.028 0.000 2.349 79 K HA 0.252 4.576 4.320 0.007 0.000 0.289 79 K C 0.144 176.761 176.600 0.029 0.000 1.064 79 K CA 0.033 56.334 56.287 0.024 0.000 0.947 79 K CB -0.122 32.391 32.500 0.021 0.000 1.007 79 K HN 0.456 nan 8.250 nan 0.000 0.478 80 I N -1.402 119.182 120.570 0.023 0.000 3.264 80 I HA 0.377 4.552 4.170 0.007 0.000 0.315 80 I C -0.896 175.237 176.117 0.026 0.000 1.154 80 I CA -1.240 60.075 61.300 0.026 0.000 0.962 80 I CB 2.108 40.114 38.000 0.010 0.000 1.265 80 I HN 0.236 nan 8.210 nan 0.000 0.463 81 Q N 2.005 121.824 119.800 0.032 0.000 2.357 81 Q HA 0.425 4.769 4.340 0.007 0.000 0.266 81 Q C -1.413 174.604 176.000 0.028 0.000 1.021 81 Q CA -0.705 55.120 55.803 0.036 0.000 0.784 81 Q CB 2.335 31.107 28.738 0.057 0.000 1.243 81 Q HN 0.425 nan 8.270 nan 0.000 0.465 82 K N 3.593 124.005 120.400 0.019 0.000 2.267 82 K HA 0.362 4.686 4.320 0.007 0.000 0.282 82 K C -0.729 175.882 176.600 0.018 0.000 1.078 82 K CA -0.140 56.155 56.287 0.013 0.000 0.903 82 K CB 0.653 33.157 32.500 0.006 0.000 1.111 82 K HN 0.387 nan 8.250 nan 0.000 0.475 83 L N 3.674 124.910 121.223 0.022 0.000 2.296 83 L HA 0.377 4.721 4.340 0.007 0.000 0.286 83 L C 0.174 177.051 176.870 0.012 0.000 1.023 83 L CA -0.874 53.978 54.840 0.020 0.000 0.812 83 L CB 1.253 43.331 42.059 0.031 0.000 1.223 83 L HN 0.361 nan 8.230 nan 0.000 0.421 84 K N 3.154 123.557 120.400 0.005 0.000 2.202 84 K HA 0.481 4.805 4.320 0.007 0.000 0.264 84 K C -0.580 176.013 176.600 -0.011 0.000 1.010 84 K CA -0.369 55.919 56.287 0.001 0.000 0.940 84 K CB 1.308 33.807 32.500 -0.002 0.000 0.983 84 K HN 0.447 nan 8.250 nan 0.000 0.475 85 I N 2.145 122.710 120.570 -0.008 0.000 2.321 85 I HA 0.077 4.251 4.170 0.007 0.000 0.291 85 I C 0.935 177.031 176.117 -0.036 0.000 0.998 85 I CA -0.134 61.152 61.300 -0.023 0.000 1.227 85 I CB 1.702 39.704 38.000 0.003 0.000 1.368 85 I HN 0.782 nan 8.210 nan 0.000 0.466 86 A N 6.193 128.976 122.820 -0.062 0.000 1.878 86 A HA 0.083 4.407 4.320 0.007 0.000 0.213 86 A C 0.941 178.492 177.584 -0.055 0.000 1.192 86 A CA 1.112 53.115 52.037 -0.057 0.000 0.619 86 A CB 0.201 19.158 19.000 -0.073 0.000 0.837 86 A HN 0.700 nan 8.150 nan 0.000 0.446 87 K N -1.152 119.214 120.400 -0.058 0.000 2.546 87 K HA 0.540 4.864 4.320 0.007 0.000 0.264 87 K C -2.046 174.510 176.600 -0.073 0.000 0.937 87 K CA -0.556 55.670 56.287 -0.102 0.000 0.833 87 K CB 2.323 34.746 32.500 -0.128 0.000 1.378 87 K HN -0.023 nan 8.250 nan 0.000 0.432 88 V N 3.970 123.780 119.914 -0.174 0.000 2.398 88 V HA 0.481 4.605 4.120 0.007 0.000 0.286 88 V C -1.030 174.970 176.094 -0.157 0.000 1.026 88 V CA -0.558 61.723 62.300 -0.032 0.000 0.868 88 V CB 0.950 32.771 31.823 -0.004 0.000 0.982 88 V HN 0.565 nan 8.190 nan 0.000 0.443 89 F N 3.849 123.918 119.950 0.199 0.000 2.359 89 F HA 0.443 4.973 4.527 0.007 0.000 0.370 89 F C 0.409 176.446 175.800 0.396 0.000 1.077 89 F CA -0.640 57.535 58.000 0.292 0.000 1.136 89 F CB 1.057 40.249 39.000 0.321 0.000 1.387 89 F HN 0.338 nan 8.300 nan 0.000 0.468 90 K N 2.444 123.062 120.400 0.362 0.000 2.249 90 K HA 0.123 4.447 4.320 0.007 0.000 0.280 90 K C 0.308 177.059 176.600 0.252 0.000 1.033 90 K CA -0.553 55.877 56.287 0.237 0.000 0.946 90 K CB 0.583 33.145 32.500 0.103 0.000 1.005 90 K HN 0.423 nan 8.250 nan 0.000 0.469 91 N N 2.334 120.991 118.700 -0.072 0.000 2.440 91 N HA -0.089 4.655 4.740 0.007 0.000 0.265 91 N C 0.718 176.179 175.510 -0.082 0.000 1.239 91 N CA 0.397 53.186 53.050 -0.435 0.000 0.909 91 N CB 0.932 38.783 38.487 -1.059 0.000 1.066 91 N HN 0.727 nan 8.380 nan 0.000 0.474 92 S N 3.521 119.248 115.700 0.045 0.000 2.469 92 S HA -0.083 4.391 4.470 0.007 0.000 0.238 92 S C 1.067 175.683 174.600 0.026 0.000 0.998 92 S CA 0.911 59.157 58.200 0.076 0.000 0.957 92 S CB -0.002 63.269 63.200 0.119 0.000 0.764 92 S HN 0.634 nan 8.310 nan 0.000 0.514 93 K N 0.100 120.475 120.400 -0.042 0.000 2.404 93 K HA 0.147 4.471 4.320 0.007 0.000 0.194 93 K C -0.130 176.454 176.600 -0.025 0.000 1.023 93 K CA -0.371 55.890 56.287 -0.044 0.000 1.094 93 K CB -0.026 32.431 32.500 -0.072 0.000 0.841 93 K HN 0.519 nan 8.250 nan 0.000 0.523 94 Y N 2.820 123.049 120.300 -0.118 0.000 2.721 94 Y HA -0.064 4.490 4.550 0.006 0.000 0.329 94 Y C -0.032 175.836 175.900 -0.054 0.000 1.211 94 Y CA -0.508 57.540 58.100 -0.087 0.000 1.512 94 Y CB 0.079 38.497 38.460 -0.069 0.000 1.249 94 Y HN -0.041 nan 8.280 nan 0.000 0.549 95 N N 3.986 122.302 118.700 -0.640 0.000 2.485 95 N HA 0.031 4.775 4.740 0.007 0.000 0.243 95 N C 0.494 175.455 175.510 -0.915 0.000 0.987 95 N CA 0.424 53.129 53.050 -0.576 0.000 0.940 95 N CB 1.091 39.395 38.487 -0.306 0.000 1.122 95 N HN 0.801 nan 8.380 nan 0.000 0.509 96 S N 3.288 118.535 115.700 -0.755 0.000 2.507 96 S HA -0.044 4.430 4.470 0.007 0.000 0.235 96 S C 1.660 176.075 174.600 -0.308 0.000 0.988 96 S CA 0.496 58.382 58.200 -0.523 0.000 0.944 96 S CB -0.057 63.022 63.200 -0.201 0.000 0.762 96 S HN 0.588 nan 8.310 nan 0.000 0.526 97 L N 1.184 122.235 121.223 -0.287 0.000 2.269 97 L HA 0.097 4.441 4.340 0.007 0.000 0.200 97 L C 2.932 179.650 176.870 -0.253 0.000 1.069 97 L CA 1.292 56.001 54.840 -0.218 0.000 0.804 97 L CB -0.890 41.072 42.059 -0.163 0.000 0.987 97 L HN 0.507 nan 8.230 nan 0.000 0.468 98 T N -3.136 111.262 114.554 -0.260 0.000 3.065 98 T HA 0.172 4.526 4.350 0.007 0.000 0.252 98 T C 1.184 175.705 174.700 -0.298 0.000 1.099 98 T CA 0.069 62.016 62.100 -0.254 0.000 1.063 98 T CB 0.076 68.847 68.868 -0.162 0.000 0.948 98 T HN 0.265 nan 8.240 nan 0.000 0.506 99 I N -0.352 120.035 120.570 -0.305 0.000 5.620 99 I HA -0.234 3.940 4.170 0.007 0.000 0.127 99 I C 0.119 176.263 176.117 0.045 0.000 1.815 99 I CA 0.102 61.310 61.300 -0.154 0.000 2.038 99 I CB -2.638 35.171 38.000 -0.318 0.000 3.367 99 I HN 0.310 nan 8.210 nan 0.000 0.169 100 N N 2.595 121.270 118.700 -0.040 0.000 2.503 100 N HA 0.251 4.995 4.740 0.007 0.000 0.267 100 N C 0.589 176.155 175.510 0.094 0.000 1.214 100 N CA 0.456 53.535 53.050 0.047 0.000 0.959 100 N CB 0.396 38.882 38.487 -0.001 0.000 1.142 100 N HN 0.247 nan 8.380 nan 0.000 0.455 101 N N 0.717 119.478 118.700 0.101 0.000 2.758 101 N HA -0.213 4.531 4.740 0.007 0.000 0.248 101 N C -1.309 174.292 175.510 0.151 0.000 1.076 101 N CA 0.444 53.531 53.050 0.061 0.000 0.696 101 N CB -1.221 37.258 38.487 -0.014 0.000 0.979 101 N HN 0.637 nan 8.380 nan 0.000 0.550 102 D N 1.253 121.774 120.400 0.203 0.000 2.600 102 D HA 0.372 5.017 4.640 0.007 0.000 0.226 102 D C 0.053 176.341 176.300 -0.019 0.000 1.119 102 D CA 0.123 54.209 54.000 0.144 0.000 1.051 102 D CB -0.275 40.690 40.800 0.275 0.000 1.106 102 D HN 0.514 nan 8.370 nan 0.000 0.491 103 I N 0.591 121.088 120.570 -0.122 0.000 2.722 103 I HA 0.383 4.557 4.170 0.007 0.000 0.295 103 I C -1.249 174.814 176.117 -0.090 0.000 1.161 103 I CA -0.302 60.947 61.300 -0.086 0.000 1.032 103 I CB 2.211 40.181 38.000 -0.051 0.000 1.244 103 I HN -0.089 nan 8.210 nan 0.000 0.421 104 T N 6.992 121.605 114.554 0.098 0.000 2.933 104 T HA 0.543 4.897 4.350 0.007 0.000 0.305 104 T C -1.006 173.923 174.700 0.383 0.000 1.092 104 T CA -0.449 61.803 62.100 0.252 0.000 1.008 104 T CB 1.759 70.696 68.868 0.115 0.000 1.102 104 T HN 0.342 nan 8.240 nan 0.000 0.469 105 L N 3.163 124.714 121.223 0.546 0.000 2.325 105 L HA 0.653 4.997 4.340 0.007 0.000 0.278 105 L C -0.873 176.283 176.870 0.476 0.000 1.023 105 L CA -0.958 54.177 54.840 0.492 0.000 0.811 105 L CB 1.351 43.679 42.059 0.449 0.000 1.249 105 L HN 0.383 nan 8.230 nan 0.000 0.431 106 L N 3.603 125.032 121.223 0.343 0.000 2.325 106 L HA 0.486 4.830 4.340 0.007 0.000 0.281 106 L C -0.295 176.516 176.870 -0.098 0.000 1.004 106 L CA -0.545 54.394 54.840 0.166 0.000 0.823 106 L CB 1.689 43.813 42.059 0.109 0.000 1.236 106 L HN 0.496 nan 8.230 nan 0.000 0.415 107 K N 4.480 124.677 120.400 -0.339 0.000 2.234 107 K HA 0.513 4.837 4.320 0.007 0.000 0.277 107 K C -0.721 175.627 176.600 -0.418 0.000 1.038 107 K CA -0.573 55.174 56.287 -0.901 0.000 0.888 107 K CB 0.868 32.759 32.500 -1.016 0.000 1.091 107 K HN 0.545 nan 8.250 nan 0.000 0.467 108 L N 3.423 124.423 121.223 -0.372 0.000 2.397 108 L HA 0.062 4.406 4.340 0.007 0.000 0.271 108 L C 1.662 178.445 176.870 -0.145 0.000 1.148 108 L CA -0.289 54.447 54.840 -0.173 0.000 0.825 108 L CB 1.381 43.382 42.059 -0.098 0.000 1.117 108 L HN 0.828 nan 8.230 nan 0.000 0.456 109 S N -0.141 115.509 115.700 -0.083 0.000 2.436 109 S HA -0.010 4.464 4.470 0.007 0.000 0.228 109 S C 0.750 175.326 174.600 -0.041 0.000 1.014 109 S CA 0.206 58.371 58.200 -0.058 0.000 0.950 109 S CB 0.009 63.187 63.200 -0.036 0.000 0.784 109 S HN 0.696 nan 8.310 nan 0.000 0.504 110 T N 2.207 116.741 114.554 -0.033 0.000 2.879 110 T HA 0.732 5.086 4.350 0.007 0.000 0.290 110 T C -0.238 174.456 174.700 -0.009 0.000 0.993 110 T CA -0.389 61.702 62.100 -0.015 0.000 0.975 110 T CB 1.580 70.447 68.868 -0.002 0.000 0.981 110 T HN 0.496 nan 8.240 nan 0.000 0.439 111 A N 2.594 125.410 122.820 -0.008 0.000 2.483 111 A HA 0.663 4.987 4.320 0.007 0.000 0.238 111 A C 0.749 178.358 177.584 0.041 0.000 1.070 111 A CA -0.389 51.650 52.037 0.003 0.000 0.770 111 A CB -0.081 18.907 19.000 -0.020 0.000 1.008 111 A HN 1.069 nan 8.150 nan 0.000 0.497 112 A N 1.492 124.368 122.820 0.093 0.000 2.354 112 A HA 0.528 4.852 4.320 0.007 0.000 0.269 112 A C 0.646 178.347 177.584 0.196 0.000 1.109 112 A CA 0.258 52.400 52.037 0.176 0.000 0.800 112 A CB 0.244 19.424 19.000 0.300 0.000 1.045 112 A HN 1.376 nan 8.150 nan 0.000 0.489 113 S N 2.264 118.083 115.700 0.198 0.000 2.399 113 S HA 0.509 4.983 4.470 0.007 0.000 0.301 113 S C -0.497 174.306 174.600 0.340 0.000 1.093 113 S CA -0.559 57.754 58.200 0.188 0.000 1.077 113 S CB -0.738 62.530 63.200 0.112 0.000 0.980 113 S HN 0.356 nan 8.310 nan 0.000 0.494 114 F N 3.959 123.939 119.950 0.051 0.000 2.563 114 F HA 0.377 4.909 4.527 0.007 0.000 0.363 114 F C 1.381 177.207 175.800 0.044 0.000 1.123 114 F CA -0.352 57.682 58.000 0.058 0.000 1.307 114 F CB 0.570 39.610 39.000 0.067 0.000 1.115 114 F HN 0.733 nan 8.300 nan 0.000 0.592 115 S N 1.703 117.491 115.700 0.147 0.000 2.800 115 S HA 0.210 4.684 4.470 0.007 0.000 0.293 115 S C 0.565 175.172 174.600 0.013 0.000 1.209 115 S CA -0.628 57.618 58.200 0.077 0.000 0.884 115 S CB 1.369 64.605 63.200 0.059 0.000 1.244 115 S HN 0.572 nan 8.310 nan 0.000 0.540 116 Q N 0.447 120.246 119.800 -0.002 0.000 2.181 116 Q HA -0.136 4.208 4.340 0.007 0.000 0.205 116 Q C 1.391 177.346 176.000 -0.075 0.000 0.980 116 Q CA 2.306 58.087 55.803 -0.036 0.000 0.862 116 Q CB -0.504 28.212 28.738 -0.037 0.000 0.905 116 Q HN 0.919 nan 8.270 nan 0.000 0.429 117 T N -3.592 110.922 114.554 -0.066 0.000 3.044 117 T HA 0.344 4.698 4.350 0.007 0.000 0.260 117 T C -0.066 174.578 174.700 -0.093 0.000 1.019 117 T CA -0.365 61.681 62.100 -0.090 0.000 0.921 117 T CB 0.898 69.733 68.868 -0.055 0.000 1.053 117 T HN -0.022 nan 8.240 nan 0.000 0.533 118 V N 2.625 122.478 119.914 -0.102 0.000 2.462 118 V HA 0.735 4.859 4.120 0.007 0.000 0.288 118 V C -0.508 175.321 176.094 -0.441 0.000 1.020 118 V CA -0.474 61.733 62.300 -0.156 0.000 0.857 118 V CB 1.227 33.034 31.823 -0.028 0.000 1.013 118 V HN 0.700 nan 8.190 nan 0.000 0.431 119 S N 3.321 118.674 115.700 -0.578 0.000 2.672 119 S HA 0.946 5.420 4.470 0.007 0.000 0.271 119 S C -0.517 173.791 174.600 -0.486 0.000 1.171 119 S CA -0.352 57.219 58.200 -1.047 0.000 0.817 119 S CB 1.903 64.872 63.200 -0.385 0.000 1.150 119 S HN 1.281 nan 8.310 nan 0.000 0.478 120 A N 0.187 122.872 122.820 -0.225 0.000 2.295 120 A HA 0.831 5.155 4.320 0.007 0.000 0.318 120 A C -0.124 177.551 177.584 0.152 0.000 1.134 120 A CA -0.772 51.361 52.037 0.161 0.000 0.827 120 A CB 1.072 20.268 19.000 0.327 0.000 1.136 120 A HN 1.385 nan 8.150 nan 0.000 0.493 121 V N 0.827 120.681 119.914 -0.100 0.000 2.837 121 V HA 0.422 4.546 4.120 0.007 0.000 0.310 121 V C 0.081 176.009 176.094 -0.277 0.000 1.059 121 V CA -0.622 61.285 62.300 -0.655 0.000 1.004 121 V CB 1.142 32.256 31.823 -1.181 0.000 1.045 121 V HN 1.028 nan 8.190 nan 0.000 0.465 122 c N 5.653 124.103 118.600 -0.250 0.000 2.466 122 c HA 0.517 5.091 4.570 0.007 0.000 0.379 122 c C 0.187 174.223 174.090 -0.090 0.000 1.251 122 c CA -0.793 55.476 56.329 -0.099 0.000 2.263 122 c CB 0.083 42.565 42.510 -0.046 0.000 2.511 122 c HN 0.743 nan 8.230 nan 0.000 0.573 123 L N 4.574 125.774 121.223 -0.039 0.000 2.334 123 L HA 0.484 4.828 4.340 0.007 0.000 0.275 123 L C -1.681 175.203 176.870 0.022 0.000 1.036 123 L CA -1.173 53.656 54.840 -0.019 0.000 0.807 123 L CB 1.342 43.391 42.059 -0.016 0.000 1.231 123 L HN 0.516 nan 8.230 nan 0.000 0.438 124 P HA 0.254 nan 4.420 nan 0.000 0.284 124 P C -0.985 176.366 177.300 0.086 0.000 1.292 124 P CA -0.546 62.634 63.100 0.133 0.000 0.800 124 P CB 1.228 33.092 31.700 0.273 0.000 1.188 125 S N -0.546 115.200 115.700 0.077 0.000 2.585 125 S HA 0.375 4.850 4.470 0.007 0.000 0.277 125 S C 1.475 176.109 174.600 0.056 0.000 1.241 125 S CA -0.133 58.091 58.200 0.040 0.000 1.041 125 S CB 1.121 64.327 63.200 0.009 0.000 0.987 125 S HN 0.571 nan 8.310 nan 0.000 0.512 126 A N 2.227 125.074 122.820 0.045 0.000 2.084 126 A HA -0.126 4.198 4.320 0.007 0.000 0.221 126 A C 2.061 179.671 177.584 0.042 0.000 1.161 126 A CA 1.986 54.055 52.037 0.054 0.000 0.653 126 A CB -0.753 18.274 19.000 0.045 0.000 0.802 126 A HN 0.848 nan 8.150 nan 0.000 0.457 127 S N -0.654 115.056 115.700 0.018 0.000 2.548 127 S HA 0.066 4.540 4.470 0.007 0.000 0.215 127 S C 0.057 174.634 174.600 -0.038 0.000 0.976 127 S CA -0.228 57.969 58.200 -0.005 0.000 0.908 127 S CB -0.229 62.962 63.200 -0.015 0.000 0.781 127 S HN 0.412 nan 8.310 nan 0.000 0.519 128 D N 2.916 123.288 120.400 -0.046 0.000 2.472 128 D HA 0.257 4.901 4.640 0.007 0.000 0.237 128 D C -0.581 175.577 176.300 -0.238 0.000 1.141 128 D CA 0.788 54.679 54.000 -0.183 0.000 0.875 128 D CB 0.596 41.291 40.800 -0.174 0.000 1.192 128 D HN 0.428 nan 8.370 nan 0.000 0.450 129 D N 0.694 120.842 120.400 -0.419 0.000 2.492 129 D HA 0.286 4.931 4.640 0.007 0.000 0.248 129 D C -1.383 174.617 176.300 -0.500 0.000 1.101 129 D CA -0.582 53.241 54.000 -0.295 0.000 0.840 129 D CB 0.385 41.091 40.800 -0.157 0.000 1.209 129 D HN 0.054 nan 8.370 nan 0.000 0.524 130 F N 2.894 122.837 119.950 -0.012 0.000 2.325 130 F HA 0.534 5.065 4.527 0.007 0.000 0.369 130 F C 0.860 176.652 175.800 -0.014 0.000 1.095 130 F CA -1.002 56.988 58.000 -0.017 0.000 1.082 130 F CB 1.239 40.227 39.000 -0.020 0.000 1.289 130 F HN 0.401 nan 8.300 nan 0.000 0.462 131 A N 2.304 125.174 122.820 0.083 0.000 2.555 131 A HA 0.480 4.804 4.320 0.007 0.000 0.233 131 A C 0.578 178.201 177.584 0.066 0.000 1.060 131 A CA -0.026 52.044 52.037 0.054 0.000 0.759 131 A CB -0.091 18.922 19.000 0.021 0.000 0.995 131 A HN 0.894 nan 8.150 nan 0.000 0.506 132 A N 1.078 123.927 122.820 0.047 0.000 2.498 132 A HA 0.512 4.836 4.320 0.007 0.000 0.239 132 A C 1.641 179.244 177.584 0.031 0.000 1.068 132 A CA 0.780 52.840 52.037 0.039 0.000 0.766 132 A CB -0.471 18.549 19.000 0.033 0.000 1.003 132 A HN 2.768 nan 8.150 nan 0.000 0.497 133 G N 1.284 110.099 108.800 0.025 0.000 2.234 133 G HA2 -0.209 3.756 3.960 0.007 0.000 0.235 133 G HA3 -0.209 3.756 3.960 0.007 0.000 0.235 133 G C 0.522 175.436 174.900 0.024 0.000 0.997 133 G CA 0.340 45.452 45.100 0.020 0.000 0.623 133 G HN 1.234 nan 8.290 nan 0.000 0.514 134 T N 2.783 117.358 114.554 0.035 0.000 2.902 134 T HA 0.424 4.778 4.350 0.007 0.000 0.301 134 T C 0.621 175.340 174.700 0.032 0.000 1.012 134 T CA 1.070 63.196 62.100 0.044 0.000 1.151 134 T CB 0.947 69.863 68.868 0.081 0.000 0.946 134 T HN 0.273 nan 8.240 nan 0.000 0.542 135 T N 4.466 119.043 114.554 0.039 0.000 2.737 135 T HA 0.339 4.693 4.350 0.007 0.000 0.296 135 T C 0.365 175.109 174.700 0.073 0.000 0.922 135 T CA -0.525 61.602 62.100 0.045 0.000 1.079 135 T CB -0.206 68.696 68.868 0.057 0.000 0.892 135 T HN 0.694 nan 8.240 nan 0.000 0.514 136 c N 2.908 121.537 118.600 0.048 0.000 3.017 136 c HA 0.890 5.464 4.570 0.007 0.000 0.380 136 c C -0.038 174.084 174.090 0.054 0.000 1.583 136 c CA -0.682 55.695 56.329 0.081 0.000 1.616 136 c CB 1.577 44.065 42.510 -0.035 0.000 2.145 136 c HN 0.603 nan 8.230 nan 0.000 0.466 137 V N 0.227 120.144 119.914 0.005 0.000 2.925 137 V HA 0.734 4.858 4.120 0.007 0.000 0.311 137 V C -0.356 175.550 176.094 -0.313 0.000 1.104 137 V CA -0.176 62.023 62.300 -0.168 0.000 0.954 137 V CB 1.954 33.609 31.823 -0.281 0.000 1.022 137 V HN 0.964 nan 8.190 nan 0.000 0.427 138 T N 2.179 116.538 114.554 -0.325 0.000 2.893 138 T HA 0.816 5.170 4.350 0.007 0.000 0.291 138 T C -0.513 173.945 174.700 -0.404 0.000 1.028 138 T CA 0.045 61.966 62.100 -0.298 0.000 0.995 138 T CB 1.647 70.446 68.868 -0.115 0.000 1.051 138 T HN 1.110 nan 8.240 nan 0.000 0.470 139 T N 0.298 114.596 114.554 -0.428 0.000 2.883 139 T HA 0.939 5.293 4.350 0.007 0.000 0.296 139 T C 0.016 174.499 174.700 -0.362 0.000 1.117 139 T CA -0.285 61.509 62.100 -0.510 0.000 1.006 139 T CB 1.619 69.977 68.868 -0.851 0.000 1.191 139 T HN 1.281 nan 8.240 nan 0.000 0.508 140 G N -0.670 107.859 108.800 -0.452 0.000 2.336 140 G HA2 0.333 4.297 3.960 0.007 0.000 0.300 140 G HA3 0.333 4.297 3.960 0.007 0.000 0.300 140 G C -1.341 173.289 174.900 -0.451 0.000 1.375 140 G CA -0.823 44.050 45.100 -0.378 0.000 0.885 140 G HN 0.694 nan 8.290 nan 0.000 0.599 141 W N 1.258 122.450 121.300 -0.180 0.000 3.067 141 W HA 0.406 5.070 4.660 0.005 0.000 0.417 141 W C 1.115 177.508 176.519 -0.210 0.000 1.029 141 W CA -0.160 57.011 57.345 -0.290 0.000 1.992 141 W CB 0.848 29.956 29.460 -0.586 0.000 1.122 141 W HN 0.832 nan 8.180 nan 0.000 0.681 142 G N 0.904 109.746 108.800 0.070 0.000 2.667 142 G HA2 0.299 4.263 3.960 0.007 0.000 0.250 142 G HA3 0.299 4.263 3.960 0.007 0.000 0.250 142 G C 0.111 175.045 174.900 0.058 0.000 1.212 142 G CA -0.655 44.500 45.100 0.091 0.000 0.874 142 G HN -0.010 nan 8.290 nan 0.000 0.561 143 L N -0.104 121.166 121.223 0.079 0.000 2.573 143 L HA 0.013 4.357 4.340 0.007 0.000 0.290 143 L C 1.980 178.883 176.870 0.055 0.000 1.247 143 L CA 0.609 55.490 54.840 0.068 0.000 0.876 143 L CB 0.442 42.560 42.059 0.100 0.000 1.123 143 L HN 0.797 nan 8.230 nan 0.000 0.505 144 T N -0.615 113.962 114.554 0.038 0.000 3.069 144 T HA 0.148 4.502 4.350 0.007 0.000 0.252 144 T C 0.505 175.232 174.700 0.045 0.000 1.053 144 T CA -0.284 61.834 62.100 0.029 0.000 0.964 144 T CB 0.167 69.042 68.868 0.010 0.000 1.005 144 T HN 0.622 nan 8.240 nan 0.000 0.532 145 R N -0.261 120.276 120.500 0.062 0.000 2.535 145 R HA 0.453 4.797 4.340 0.007 0.000 0.274 145 R C -1.860 174.505 176.300 0.108 0.000 1.090 145 R CA -0.825 55.322 56.100 0.078 0.000 0.930 145 R CB 1.390 31.716 30.300 0.044 0.000 1.223 145 R HN 0.229 nan 8.270 nan 0.000 0.441 150 N N 1.171 119.877 118.700 0.010 0.000 2.443 150 N HA 0.573 5.317 4.740 0.007 0.000 0.293 150 N C 0.218 175.733 175.510 0.009 0.000 1.159 150 N CA 0.753 53.815 53.050 0.019 0.000 0.904 150 N CB 1.456 39.952 38.487 0.015 0.000 1.214 150 N HN 0.330 nan 8.380 nan 0.000 0.513 151 T N -0.443 114.109 114.554 -0.004 0.000 2.868 151 T HA 0.405 4.759 4.350 0.007 0.000 0.292 151 T C -2.288 172.399 174.700 -0.022 0.000 1.028 151 T CA -1.176 60.916 62.100 -0.014 0.000 1.059 151 T CB 0.727 69.562 68.868 -0.054 0.000 0.991 151 T HN 0.426 nan 8.240 nan 0.000 0.531 152 P HA 0.273 nan 4.420 nan 0.000 0.275 152 P C -0.060 177.244 177.300 0.007 0.000 1.228 152 P CA -0.332 62.765 63.100 -0.005 0.000 0.786 152 P CB 0.832 32.526 31.700 -0.009 0.000 0.927 153 D N 1.366 121.743 120.400 -0.038 0.000 2.123 153 D HA -0.038 4.606 4.640 0.007 0.000 0.200 153 D C 0.695 176.962 176.300 -0.055 0.000 0.976 153 D CA 1.307 55.259 54.000 -0.081 0.000 0.831 153 D CB 0.123 40.864 40.800 -0.099 0.000 0.974 153 D HN 0.406 nan 8.370 nan 0.000 0.469 154 R N 0.539 120.955 120.500 -0.141 0.000 2.368 154 R HA 0.327 4.671 4.340 0.007 0.000 0.302 154 R C -0.260 175.841 176.300 -0.331 0.000 1.002 154 R CA -1.010 54.829 56.100 -0.435 0.000 0.929 154 R CB 1.367 31.305 30.300 -0.605 0.000 1.073 154 R HN -0.037 nan 8.270 nan 0.000 0.464 155 L N 2.664 123.580 121.223 -0.511 0.000 2.593 155 L HA -0.107 4.237 4.340 0.007 0.000 0.287 155 L C -0.359 176.276 176.870 -0.392 0.000 1.243 155 L CA 1.198 55.537 54.840 -0.835 0.000 0.890 155 L CB 0.289 41.954 42.059 -0.655 0.000 1.134 155 L HN 0.486 nan 8.230 nan 0.000 0.502 156 Q N 4.382 123.923 119.800 -0.432 0.000 2.297 156 Q HA 0.522 4.866 4.340 0.007 0.000 0.269 156 Q C -1.062 174.792 176.000 -0.244 0.000 1.051 156 Q CA -0.601 55.068 55.803 -0.224 0.000 0.869 156 Q CB 2.027 30.660 28.738 -0.175 0.000 1.346 156 Q HN 0.778 nan 8.270 nan 0.000 0.457 157 Q N -1.051 118.660 119.800 -0.149 0.000 2.501 157 Q HA 0.905 5.249 4.340 0.007 0.000 0.288 157 Q C -1.750 174.182 176.000 -0.114 0.000 1.051 157 Q CA -1.223 54.463 55.803 -0.195 0.000 0.788 157 Q CB 2.254 30.947 28.738 -0.075 0.000 1.469 157 Q HN 0.552 nan 8.270 nan 0.000 0.416 158 A N 0.925 123.664 122.820 -0.136 0.000 2.540 158 A HA 0.648 4.972 4.320 0.007 0.000 0.297 158 A C -1.214 176.331 177.584 -0.064 0.000 1.056 158 A CA -0.682 51.313 52.037 -0.069 0.000 0.700 158 A CB 2.159 21.125 19.000 -0.058 0.000 1.280 158 A HN 0.571 nan 8.150 nan 0.000 0.398 159 S N 1.099 116.792 115.700 -0.013 0.000 2.554 159 S HA 0.798 5.272 4.470 0.007 0.000 0.278 159 S C -0.279 174.318 174.600 -0.005 0.000 1.242 159 S CA -0.390 57.817 58.200 0.011 0.000 1.051 159 S CB 0.594 63.825 63.200 0.052 0.000 0.986 159 S HN 1.280 nan 8.310 nan 0.000 0.502 160 L N 0.259 121.473 121.223 -0.015 0.000 2.653 160 L HA 0.752 5.096 4.340 0.007 0.000 0.257 160 L C -3.204 173.648 176.870 -0.029 0.000 0.969 160 L CA -2.287 52.539 54.840 -0.023 0.000 0.869 160 L CB 2.307 44.343 42.059 -0.037 0.000 1.439 160 L HN 0.330 nan 8.230 nan 0.000 0.414 161 P HA 0.348 nan 4.420 nan 0.000 0.282 161 P C -0.887 176.394 177.300 -0.032 0.000 1.249 161 P CA -0.402 62.689 63.100 -0.015 0.000 0.806 161 P CB 1.724 33.424 31.700 -0.001 0.000 0.984 162 L N 2.681 123.887 121.223 -0.028 0.000 2.397 162 L HA 0.309 4.653 4.340 0.007 0.000 0.271 162 L C 0.667 177.537 176.870 -0.000 0.000 1.148 162 L CA -0.536 54.284 54.840 -0.033 0.000 0.825 162 L CB 0.086 42.135 42.059 -0.015 0.000 1.117 162 L HN 0.240 nan 8.230 nan 0.000 0.456 163 L N 1.810 123.038 121.223 0.009 0.000 2.334 163 L HA 0.419 4.763 4.340 0.007 0.000 0.272 163 L C 0.431 177.324 176.870 0.039 0.000 1.020 163 L CA -0.610 54.247 54.840 0.028 0.000 0.812 163 L CB 1.931 44.013 42.059 0.039 0.000 1.264 163 L HN 0.672 nan 8.230 nan 0.000 0.439 164 S N 0.065 115.790 115.700 0.042 0.000 2.592 164 S HA 0.155 4.629 4.470 0.007 0.000 0.271 164 S C 0.753 175.388 174.600 0.059 0.000 1.326 164 S CA -0.757 57.471 58.200 0.047 0.000 1.024 164 S CB 0.881 64.106 63.200 0.040 0.000 0.921 164 S HN 0.606 nan 8.310 nan 0.000 0.527 165 N N 1.937 120.674 118.700 0.062 0.000 2.149 165 N HA -0.108 4.636 4.740 0.007 0.000 0.188 165 N C 1.604 177.162 175.510 0.080 0.000 1.019 165 N CA 1.749 54.844 53.050 0.075 0.000 0.857 165 N CB -0.981 37.548 38.487 0.069 0.000 0.997 165 N HN 0.748 nan 8.380 nan 0.000 0.426 166 T N 1.235 115.827 114.554 0.064 0.000 2.746 166 T HA -0.124 4.230 4.350 0.007 0.000 0.267 166 T C 1.694 176.432 174.700 0.065 0.000 1.039 166 T CA 0.916 63.052 62.100 0.059 0.000 1.142 166 T CB -0.260 68.635 68.868 0.044 0.000 0.866 166 T HN 0.413 nan 8.240 nan 0.000 0.444 167 N N 0.098 118.835 118.700 0.061 0.000 2.188 167 N HA -0.126 4.618 4.740 0.007 0.000 0.184 167 N C 2.265 177.826 175.510 0.086 0.000 1.018 167 N CA 1.141 54.226 53.050 0.059 0.000 0.858 167 N CB -0.309 38.205 38.487 0.046 0.000 0.989 167 N HN 0.364 nan 8.380 nan 0.000 0.426 168 c N 1.560 120.226 118.600 0.111 0.000 2.432 168 c HA 0.025 4.599 4.570 0.007 0.000 0.277 168 c C 2.435 176.664 174.090 0.231 0.000 1.249 168 c CA 0.786 57.222 56.329 0.179 0.000 1.725 168 c CB -0.891 41.729 42.510 0.183 0.000 2.028 168 c HN 0.435 nan 8.230 nan 0.000 0.477 169 K N 0.343 120.854 120.400 0.185 0.000 2.360 169 K HA -0.126 4.198 4.320 0.007 0.000 0.201 169 K C 1.937 178.614 176.600 0.127 0.000 1.046 169 K CA 1.020 57.415 56.287 0.181 0.000 0.945 169 K CB -0.152 32.427 32.500 0.132 0.000 0.750 169 K HN 0.575 nan 8.250 nan 0.000 0.464 170 K N -0.408 120.053 120.400 0.102 0.000 2.280 170 K HA -0.190 4.134 4.320 0.007 0.000 0.202 170 K C 1.527 178.156 176.600 0.048 0.000 1.047 170 K CA 1.303 57.627 56.287 0.062 0.000 0.942 170 K CB -0.009 32.525 32.500 0.056 0.000 0.739 170 K HN 0.249 nan 8.250 nan 0.000 0.457 171 Y N -1.463 118.785 120.300 -0.088 0.000 2.569 171 Y HA 0.001 4.555 4.550 0.005 0.000 0.278 171 Y C 1.185 176.938 175.900 -0.244 0.000 1.130 171 Y CA 0.340 58.284 58.100 -0.260 0.000 1.280 171 Y CB 0.063 38.240 38.460 -0.472 0.000 1.379 171 Y HN -0.027 nan 8.280 nan 0.000 0.508 172 W N 1.498 122.941 121.300 0.238 0.000 3.047 172 W HA 0.277 4.941 4.660 0.006 0.000 0.250 172 W C 1.717 178.302 176.519 0.110 0.000 1.314 172 W CA 0.778 58.241 57.345 0.197 0.000 1.540 172 W CB -0.387 29.255 29.460 0.302 0.000 1.127 172 W HN 0.459 nan 8.180 nan 0.000 0.679 173 G N 1.409 110.354 108.800 0.242 0.000 2.634 173 G HA2 -0.498 3.466 3.960 0.007 0.000 0.309 173 G HA3 -0.498 3.466 3.960 0.007 0.000 0.309 173 G C 0.996 176.001 174.900 0.176 0.000 1.265 173 G CA 1.843 47.037 45.100 0.157 0.000 0.998 173 G HN 0.305 nan 8.290 nan 0.000 0.551 174 T N -0.866 113.764 114.554 0.127 0.000 3.163 174 T HA 0.191 4.545 4.350 0.007 0.000 0.260 174 T C 1.769 176.540 174.700 0.118 0.000 1.156 174 T CA 1.593 63.755 62.100 0.104 0.000 1.072 174 T CB 0.058 68.962 68.868 0.061 0.000 0.937 174 T HN 0.466 nan 8.240 nan 0.000 0.528 175 K N 0.851 121.361 120.400 0.183 0.000 2.365 175 K HA 0.181 4.505 4.320 0.007 0.000 0.199 175 K C 0.630 177.370 176.600 0.234 0.000 1.045 175 K CA 0.114 56.502 56.287 0.167 0.000 0.962 175 K CB -0.070 32.569 32.500 0.232 0.000 0.759 175 K HN 0.430 nan 8.250 nan 0.000 0.469 176 I N 3.063 123.784 120.570 0.251 0.000 2.379 176 I HA 0.041 4.215 4.170 0.007 0.000 0.290 176 I C 0.585 176.788 176.117 0.144 0.000 1.063 176 I CA -0.241 61.188 61.300 0.216 0.000 1.351 176 I CB 0.401 38.517 38.000 0.193 0.000 1.410 176 I HN -0.175 nan 8.210 nan 0.000 0.505 177 K N 4.590 125.069 120.400 0.133 0.000 2.210 177 K HA 0.237 4.561 4.320 0.007 0.000 0.236 177 K C 0.847 177.495 176.600 0.079 0.000 1.016 177 K CA -0.568 55.771 56.287 0.087 0.000 0.913 177 K CB 0.769 33.309 32.500 0.067 0.000 1.141 177 K HN 0.444 nan 8.250 nan 0.000 0.462 178 D N -0.257 120.179 120.400 0.060 0.000 2.218 178 D HA -0.124 4.520 4.640 0.007 0.000 0.204 178 D C 0.826 177.162 176.300 0.060 0.000 0.976 178 D CA 1.079 55.112 54.000 0.056 0.000 0.853 178 D CB -0.127 40.700 40.800 0.044 0.000 0.939 178 D HN 0.404 nan 8.370 nan 0.000 0.481 179 A N -0.498 122.360 122.820 0.063 0.000 2.532 179 A HA 0.416 4.740 4.320 0.007 0.000 0.273 179 A C 0.378 178.011 177.584 0.083 0.000 1.342 179 A CA -0.410 51.666 52.037 0.066 0.000 0.929 179 A CB -0.547 18.485 19.000 0.053 0.000 1.051 179 A HN 0.184 nan 8.150 nan 0.000 0.521 180 M N -0.209 119.442 119.600 0.085 0.000 2.535 180 M HA 0.608 5.092 4.480 0.007 0.000 0.314 180 M C -0.881 175.456 176.300 0.062 0.000 1.153 180 M CA -0.375 54.973 55.300 0.080 0.000 0.924 180 M CB 2.495 35.151 32.600 0.094 0.000 1.710 180 M HN 0.245 nan 8.290 nan 0.000 0.451 181 I N 1.048 121.652 120.570 0.057 0.000 2.619 181 I HA 0.551 4.725 4.170 0.007 0.000 0.292 181 I C -1.388 174.771 176.117 0.070 0.000 1.100 181 I CA -0.483 60.848 61.300 0.053 0.000 1.043 181 I CB 1.467 39.487 38.000 0.035 0.000 1.239 181 I HN 0.790 nan 8.210 nan 0.000 0.420 182 c N 5.805 124.437 118.600 0.054 0.000 2.358 182 c HA 1.016 5.590 4.570 0.007 0.000 0.354 182 c C 0.259 174.380 174.090 0.052 0.000 1.183 182 c CA -0.254 56.123 56.329 0.079 0.000 2.150 182 c CB 0.751 43.301 42.510 0.066 0.000 2.361 182 c HN 0.877 nan 8.230 nan 0.000 0.535 183 A N 0.855 123.731 122.820 0.093 0.000 2.608 183 A HA 0.909 5.234 4.320 0.007 0.000 0.292 183 A C -0.142 177.482 177.584 0.067 0.000 1.066 183 A CA 0.441 52.476 52.037 -0.004 0.000 0.676 183 A CB 0.733 19.594 19.000 -0.231 0.000 1.277 183 A HN 2.614 nan 8.150 nan 0.000 0.413 184 G N -0.084 108.726 108.800 0.016 0.000 2.516 184 G HA2 0.495 4.459 3.960 0.007 0.000 0.220 184 G HA3 0.495 4.459 3.960 0.007 0.000 0.220 184 G C 0.873 175.773 174.900 0.000 0.000 1.165 184 G CA 1.658 46.771 45.100 0.022 0.000 1.013 184 G HN 2.704 nan 8.290 nan 0.000 0.590 185 A N -1.928 120.882 122.820 -0.016 0.000 2.826 185 A HA 0.097 4.421 4.320 0.007 0.000 0.274 185 A C 1.622 179.184 177.584 -0.037 0.000 1.443 185 A CA 2.726 54.731 52.037 -0.053 0.000 0.833 185 A CB -2.146 16.811 19.000 -0.072 0.000 1.023 185 A HN 2.638 nan 8.150 nan 0.000 0.600 186 S N -2.492 113.196 115.700 -0.021 0.000 2.663 186 S HA 0.516 4.990 4.470 0.007 0.000 0.243 186 S C 1.615 176.209 174.600 -0.010 0.000 1.009 186 S CA 0.998 59.190 58.200 -0.013 0.000 0.988 186 S CB 0.393 63.588 63.200 -0.007 0.000 0.896 186 S HN 2.442 nan 8.310 nan 0.000 0.502 187 G N 0.409 109.201 108.800 -0.014 0.000 2.184 187 G HA2 -0.156 3.808 3.960 0.007 0.000 0.206 187 G HA3 -0.156 3.808 3.960 0.007 0.000 0.206 187 G C -0.014 174.883 174.900 -0.004 0.000 0.995 187 G CA 0.002 45.097 45.100 -0.008 0.000 0.651 187 G HN 1.612 nan 8.290 nan 0.000 0.511 188 V N -2.757 117.155 119.914 -0.004 0.000 3.130 188 V HA 0.986 5.110 4.120 0.007 0.000 0.310 188 V C -0.328 175.769 176.094 0.006 0.000 1.158 188 V CA -0.184 62.117 62.300 0.001 0.000 1.029 188 V CB 1.874 33.696 31.823 -0.002 0.000 1.057 188 V HN 1.549 nan 8.190 nan 0.000 0.436 189 S N 0.743 116.450 115.700 0.011 0.000 2.548 189 S HA 0.606 5.080 4.470 0.007 0.000 0.278 189 S C -0.536 174.076 174.600 0.020 0.000 1.150 189 S CA -0.270 57.940 58.200 0.017 0.000 0.907 189 S CB 1.916 65.119 63.200 0.005 0.000 1.108 189 S HN 1.267 nan 8.310 nan 0.000 0.459 190 S N 2.133 117.845 115.700 0.021 0.000 2.585 190 S HA 0.608 5.082 4.470 0.007 0.000 0.273 190 S C -0.097 174.513 174.600 0.017 0.000 1.339 190 S CA -0.323 57.885 58.200 0.013 0.000 1.028 190 S CB 0.848 64.034 63.200 -0.024 0.000 0.906 190 S HN 0.838 nan 8.310 nan 0.000 0.528 191 c N 2.596 121.224 118.600 0.047 0.000 3.340 191 c HA 0.475 5.049 4.570 0.007 0.000 0.333 191 c C -1.005 173.158 174.090 0.121 0.000 1.464 191 c CA -1.055 55.328 56.329 0.090 0.000 1.337 191 c CB 1.048 43.627 42.510 0.115 0.000 1.740 191 c HN 0.809 nan 8.230 nan 0.000 0.450 192 M N 2.443 122.142 119.600 0.166 0.000 2.394 192 M HA 0.198 4.682 4.480 0.007 0.000 0.394 192 M C 1.327 177.734 176.300 0.178 0.000 1.611 192 M CA 1.556 56.965 55.300 0.182 0.000 0.941 192 M CB -1.639 31.081 32.600 0.201 0.000 2.094 192 M HN 1.266 nan 8.290 nan 0.000 0.485 193 G N 2.897 111.818 108.800 0.202 0.000 2.253 193 G HA2 -0.184 3.780 3.960 0.007 0.000 0.209 193 G HA3 -0.184 3.780 3.960 0.007 0.000 0.209 193 G C 0.591 175.660 174.900 0.283 0.000 0.997 193 G CA 0.076 45.334 45.100 0.262 0.000 0.640 193 G HN 0.579 nan 8.290 nan 0.000 0.496 194 D N 0.971 121.476 120.400 0.176 0.000 2.305 194 D HA 0.180 4.824 4.640 0.007 0.000 0.206 194 D C 1.463 177.826 176.300 0.105 0.000 0.974 194 D CA 0.742 54.817 54.000 0.125 0.000 0.871 194 D CB 0.066 40.905 40.800 0.064 0.000 0.947 194 D HN 0.337 nan 8.370 nan 0.000 0.516 195 S N -0.651 115.123 115.700 0.123 0.000 2.561 195 S HA 0.237 4.711 4.470 0.007 0.000 0.294 195 S C 1.550 176.166 174.600 0.026 0.000 1.294 195 S CA 0.980 59.252 58.200 0.120 0.000 1.055 195 S CB 0.789 64.155 63.200 0.277 0.000 0.819 195 S HN 0.491 nan 8.310 nan 0.000 0.503 196 G N 2.034 110.837 108.800 0.006 0.000 2.253 196 G HA2 -0.214 3.750 3.960 0.007 0.000 0.251 196 G HA3 -0.214 3.750 3.960 0.007 0.000 0.251 196 G C 0.490 175.413 174.900 0.037 0.000 0.998 196 G CA 0.167 45.257 45.100 -0.017 0.000 0.621 196 G HN 1.146 nan 8.290 nan 0.000 0.524 197 G N 0.914 109.747 108.800 0.056 0.000 2.653 197 G HA2 0.569 4.533 3.960 0.007 0.000 0.265 197 G HA3 0.569 4.533 3.960 0.007 0.000 0.265 197 G C -1.865 173.075 174.900 0.067 0.000 1.237 197 G CA -0.059 45.078 45.100 0.062 0.000 0.946 197 G HN 0.433 nan 8.290 nan 0.000 0.522 198 P HA 0.373 nan 4.420 nan 0.000 0.285 198 P C -1.235 176.034 177.300 -0.051 0.000 1.269 198 P CA -0.626 62.486 63.100 0.020 0.000 0.844 198 P CB 2.120 33.868 31.700 0.080 0.000 1.094 199 L N 3.632 124.798 121.223 -0.096 0.000 2.388 199 L HA 0.394 4.738 4.340 0.007 0.000 0.267 199 L C -0.846 175.910 176.870 -0.190 0.000 0.995 199 L CA -0.824 53.879 54.840 -0.228 0.000 0.864 199 L CB 0.996 42.797 42.059 -0.430 0.000 1.216 199 L HN 0.200 nan 8.230 nan 0.000 0.430 200 V N 1.425 121.265 119.914 -0.122 0.000 2.715 200 V HA 0.874 4.998 4.120 0.007 0.000 0.310 200 V C -0.271 175.946 176.094 0.205 0.000 1.054 200 V CA -0.594 61.722 62.300 0.027 0.000 0.928 200 V CB 1.317 33.246 31.823 0.177 0.000 1.007 200 V HN 0.816 nan 8.190 nan 0.000 0.437 201 c N 2.480 121.172 118.600 0.153 0.000 2.898 201 c HA 0.607 5.181 4.570 0.007 0.000 0.304 201 c C -0.044 174.065 174.090 0.033 0.000 1.237 201 c CA -1.061 55.343 56.329 0.126 0.000 1.529 201 c CB 1.762 44.250 42.510 -0.037 0.000 2.021 201 c HN 1.002 nan 8.230 nan 0.000 0.474 202 K N 1.350 121.628 120.400 -0.204 0.000 2.249 202 K HA 0.321 4.645 4.320 0.007 0.000 0.280 202 K C -0.249 176.305 176.600 -0.076 0.000 1.033 202 K CA 0.027 56.106 56.287 -0.346 0.000 0.946 202 K CB 0.706 32.859 32.500 -0.578 0.000 1.005 202 K HN 0.581 nan 8.250 nan 0.000 0.469 203 K N 3.631 123.999 120.400 -0.053 0.000 2.626 203 K HA 0.086 4.410 4.320 0.007 0.000 0.223 203 K C -0.985 175.589 176.600 -0.044 0.000 0.992 203 K CA -0.276 56.021 56.287 0.016 0.000 1.024 203 K CB 0.181 32.745 32.500 0.107 0.000 1.225 203 K HN 0.613 nan 8.250 nan 0.000 0.498 204 N N 2.658 121.318 118.700 -0.066 0.000 2.780 204 N HA -0.177 4.567 4.740 0.007 0.000 0.247 204 N C 0.499 175.960 175.510 -0.081 0.000 1.076 204 N CA 1.327 54.338 53.050 -0.065 0.000 0.688 204 N CB -1.257 37.204 38.487 -0.044 0.000 0.957 204 N HN 1.058 nan 8.380 nan 0.000 0.551 205 G N -1.768 106.953 108.800 -0.132 0.000 2.284 205 G HA2 -0.189 3.775 3.960 0.007 0.000 0.247 205 G HA3 -0.189 3.775 3.960 0.007 0.000 0.247 205 G C 0.204 174.982 174.900 -0.202 0.000 1.012 205 G CA 0.794 45.799 45.100 -0.157 0.000 0.618 205 G HN 1.266 nan 8.290 nan 0.000 0.521 206 A N -0.322 122.407 122.820 -0.151 0.000 2.306 206 A HA 0.635 4.959 4.320 0.007 0.000 0.314 206 A C -0.220 177.278 177.584 -0.144 0.000 1.164 206 A CA -0.441 51.540 52.037 -0.093 0.000 0.822 206 A CB 0.475 19.470 19.000 -0.008 0.000 1.130 206 A HN 0.594 nan 8.150 nan 0.000 0.496 207 W N 1.459 122.781 121.300 0.037 0.000 2.304 207 W HA 0.442 5.106 4.660 0.007 0.000 0.313 207 W C 0.067 176.469 176.519 -0.194 0.000 1.323 207 W CA 0.484 57.823 57.345 -0.010 0.000 1.223 207 W CB 1.243 30.787 29.460 0.140 0.000 1.237 207 W HN 0.573 nan 8.180 nan 0.000 0.535 208 T N 4.501 119.093 114.554 0.063 0.000 2.824 208 T HA 0.269 4.623 4.350 0.007 0.000 0.282 208 T C -0.878 173.734 174.700 -0.146 0.000 0.993 208 T CA -0.851 61.213 62.100 -0.059 0.000 0.967 208 T CB 1.250 70.138 68.868 0.034 0.000 0.960 208 T HN 0.152 nan 8.240 nan 0.000 0.441 209 L N 4.791 125.902 121.223 -0.188 0.000 2.565 209 L HA 0.200 4.544 4.340 0.007 0.000 0.275 209 L C 0.830 177.572 176.870 -0.214 0.000 1.137 209 L CA 0.590 55.318 54.840 -0.187 0.000 0.915 209 L CB 0.023 41.994 42.059 -0.146 0.000 1.232 209 L HN 0.609 nan 8.230 nan 0.000 0.473 210 V N 4.196 123.924 119.914 -0.310 0.000 3.125 210 V HA 0.423 4.547 4.120 0.007 0.000 0.249 210 V C 1.045 177.010 176.094 -0.215 0.000 1.113 210 V CA 0.820 62.868 62.300 -0.420 0.000 1.106 210 V CB 0.033 31.436 31.823 -0.700 0.000 0.768 210 V HN 0.852 nan 8.190 nan 0.000 0.468 211 G N -0.661 108.043 108.800 -0.161 0.000 2.695 211 G HA2 0.706 4.670 3.960 0.007 0.000 0.290 211 G HA3 0.706 4.670 3.960 0.007 0.000 0.290 211 G C -1.664 173.271 174.900 0.059 0.000 1.410 211 G CA -0.558 44.520 45.100 -0.037 0.000 0.844 211 G HN 0.021 nan 8.290 nan 0.000 0.478 212 I N 0.899 121.568 120.570 0.165 0.000 2.466 212 I HA 0.249 4.423 4.170 0.007 0.000 0.289 212 I C 0.096 176.339 176.117 0.210 0.000 1.026 212 I CA -1.054 60.340 61.300 0.156 0.000 1.078 212 I CB 2.230 40.289 38.000 0.099 0.000 1.249 212 I HN 0.150 nan 8.210 nan 0.000 0.429 213 V N 5.192 125.222 119.914 0.192 0.000 2.584 213 V HA -0.065 4.059 4.120 0.007 0.000 0.303 213 V C 0.838 176.927 176.094 -0.010 0.000 1.035 213 V CA 0.852 63.144 62.300 -0.013 0.000 1.172 213 V CB 0.693 32.534 31.823 0.029 0.000 0.896 213 V HN 0.988 nan 8.190 nan 0.000 0.486 214 S N 4.808 120.408 115.700 -0.166 0.000 3.393 214 S HA 0.384 4.858 4.470 0.007 0.000 0.209 214 S C -0.133 174.499 174.600 0.054 0.000 0.897 214 S CA 0.046 58.303 58.200 0.096 0.000 0.825 214 S CB 0.598 63.862 63.200 0.107 0.000 0.898 214 S HN 0.891 nan 8.310 nan 0.000 0.615 215 W N -0.055 121.066 121.300 -0.299 0.000 2.988 215 W HA 0.641 5.305 4.660 0.005 0.000 0.355 215 W C -0.204 176.112 176.519 -0.339 0.000 1.233 215 W CA -0.392 56.765 57.345 -0.313 0.000 1.176 215 W CB 0.274 29.533 29.460 -0.335 0.000 1.477 215 W HN 0.641 nan 8.180 nan 0.000 0.582 216 G N 0.331 109.148 108.800 0.028 0.000 2.435 216 G HA2 0.287 4.251 3.960 0.007 0.000 0.228 216 G HA3 0.287 4.251 3.960 0.007 0.000 0.228 216 G C -1.042 174.036 174.900 0.297 0.000 1.198 216 G CA -0.168 44.886 45.100 -0.077 0.000 0.948 216 G HN 0.826 nan 8.290 nan 0.000 0.487 217 S N -0.057 115.866 115.700 0.372 0.000 2.563 217 S HA 0.258 4.732 4.470 0.007 0.000 0.294 217 S C 1.536 176.204 174.600 0.113 0.000 1.279 217 S CA 0.816 59.204 58.200 0.312 0.000 1.069 217 S CB 0.591 63.854 63.200 0.105 0.000 0.828 217 S HN 0.855 nan 8.310 nan 0.000 0.497 218 S N 2.830 118.589 115.700 0.097 0.000 2.547 218 S HA -0.025 4.449 4.470 0.007 0.000 0.235 218 S C 1.524 175.885 174.600 -0.397 0.000 0.980 218 S CA 1.080 59.253 58.200 -0.044 0.000 0.941 218 S CB -0.194 63.026 63.200 0.033 0.000 0.763 218 S HN 0.977 nan 8.310 nan 0.000 0.532 219 T N -2.975 111.301 114.554 -0.462 0.000 3.145 219 T HA 0.209 4.563 4.350 0.007 0.000 0.281 219 T C 0.538 174.902 174.700 -0.559 0.000 1.003 219 T CA -0.152 61.380 62.100 -0.946 0.000 0.901 219 T CB -0.869 67.760 68.868 -0.399 0.000 1.112 219 T HN 0.214 nan 8.240 nan 0.000 0.535 220 c N 1.918 120.339 118.600 -0.298 0.000 4.350 220 c HA -0.147 4.427 4.570 0.007 0.000 0.302 220 c C 1.030 175.089 174.090 -0.051 0.000 1.390 220 c CA 0.368 56.639 56.329 -0.096 0.000 2.016 220 c CB -3.290 39.217 42.510 -0.005 0.000 1.271 220 c HN 0.915 nan 8.230 nan 0.000 0.760 221 S N 0.794 116.457 115.700 -0.063 0.000 2.549 221 S HA 0.318 4.792 4.470 0.007 0.000 0.286 221 S C 1.472 176.043 174.600 -0.047 0.000 1.314 221 S CA 0.660 58.830 58.200 -0.051 0.000 1.062 221 S CB 0.844 64.001 63.200 -0.071 0.000 0.865 221 S HN 0.954 nan 8.310 nan 0.000 0.498 222 T N 0.967 115.501 114.554 -0.034 0.000 3.148 222 T HA 0.036 4.390 4.350 0.007 0.000 0.253 222 T C 1.221 175.890 174.700 -0.051 0.000 1.134 222 T CA 0.608 62.690 62.100 -0.030 0.000 1.051 222 T CB -0.342 68.518 68.868 -0.013 0.000 0.959 222 T HN 0.626 nan 8.240 nan 0.000 0.525 223 S N -0.262 115.390 115.700 -0.081 0.000 2.554 223 S HA 0.277 4.751 4.470 0.007 0.000 0.226 223 S C 0.345 174.825 174.600 -0.200 0.000 0.980 223 S CA -0.650 57.486 58.200 -0.106 0.000 0.939 223 S CB 0.035 63.184 63.200 -0.085 0.000 0.832 223 S HN 0.353 nan 8.310 nan 0.000 0.486 224 T N 4.282 118.692 114.554 -0.239 0.000 2.855 224 T HA 0.549 4.903 4.350 0.007 0.000 0.281 224 T C -3.031 171.549 174.700 -0.200 0.000 1.007 224 T CA -1.648 60.191 62.100 -0.435 0.000 1.009 224 T CB 1.595 70.149 68.868 -0.524 0.000 0.983 224 T HN -0.018 nan 8.240 nan 0.000 0.455 225 P HA 0.279 nan 4.420 nan 0.000 0.267 225 P C -0.023 177.371 177.300 0.157 0.000 1.205 225 P CA -0.125 63.018 63.100 0.072 0.000 0.765 225 P CB 0.377 32.176 31.700 0.165 0.000 0.828 226 G N 2.115 110.952 108.800 0.061 0.000 2.400 226 G HA2 0.483 4.447 3.960 0.007 0.000 0.301 226 G HA3 0.483 4.447 3.960 0.007 0.000 0.301 226 G C -0.883 173.867 174.900 -0.250 0.000 1.154 226 G CA -0.381 44.662 45.100 -0.096 0.000 0.852 226 G HN 0.338 nan 8.290 nan 0.000 0.511 227 V N 1.818 121.268 119.914 -0.774 0.000 2.459 227 V HA 0.486 4.610 4.120 0.007 0.000 0.295 227 V C -1.002 174.616 176.094 -0.794 0.000 1.029 227 V CA -0.700 61.088 62.300 -0.853 0.000 0.874 227 V CB 0.832 31.567 31.823 -1.813 0.000 0.985 227 V HN 0.628 nan 8.190 nan 0.000 0.438 228 Y N 1.496 121.629 120.300 -0.278 0.000 2.536 228 Y HA 0.734 5.289 4.550 0.007 0.000 0.347 228 Y C 0.495 176.361 175.900 -0.057 0.000 1.000 228 Y CA -1.060 56.961 58.100 -0.132 0.000 1.051 228 Y CB 1.741 40.139 38.460 -0.103 0.000 1.259 228 Y HN 0.720 nan 8.280 nan 0.000 0.468 229 A N 2.559 125.462 122.820 0.139 0.000 2.492 229 A HA 0.279 4.603 4.320 0.007 0.000 0.254 229 A C 0.325 177.968 177.584 0.099 0.000 1.091 229 A CA -0.488 51.618 52.037 0.116 0.000 0.768 229 A CB -0.070 18.994 19.000 0.108 0.000 1.028 229 A HN 0.794 nan 8.150 nan 0.000 0.498 230 R N 3.580 124.129 120.500 0.081 0.000 2.309 230 R HA 0.245 4.589 4.340 0.007 0.000 0.331 230 R C 0.441 176.779 176.300 0.063 0.000 1.116 230 R CA -0.302 55.835 56.100 0.063 0.000 0.970 230 R CB 0.146 30.486 30.300 0.067 0.000 1.024 230 R HN 0.570 nan 8.270 nan 0.000 0.472 231 V N 3.285 123.226 119.914 0.044 0.000 2.392 231 V HA -0.281 3.843 4.120 0.007 0.000 0.249 231 V C 2.402 178.544 176.094 0.081 0.000 1.059 231 V CA 2.380 64.714 62.300 0.057 0.000 1.051 231 V CB -0.713 31.121 31.823 0.019 0.000 0.658 231 V HN 0.929 nan 8.190 nan 0.000 0.455 232 T N -0.847 113.763 114.554 0.095 0.000 2.803 232 T HA -0.140 4.215 4.350 0.007 0.000 0.269 232 T C 1.751 176.509 174.700 0.096 0.000 1.052 232 T CA 1.459 63.630 62.100 0.118 0.000 1.136 232 T CB -0.412 68.551 68.868 0.159 0.000 0.864 232 T HN 0.503 nan 8.240 nan 0.000 0.467 233 A N 0.493 123.366 122.820 0.088 0.000 2.169 233 A HA 0.504 4.829 4.320 0.007 0.000 0.212 233 A C 2.010 179.647 177.584 0.089 0.000 1.153 233 A CA 0.349 52.433 52.037 0.079 0.000 0.756 233 A CB -0.370 18.670 19.000 0.068 0.000 0.813 233 A HN 0.575 nan 8.150 nan 0.000 0.471 234 L N -1.907 119.381 121.223 0.108 0.000 2.920 234 L HA 0.165 4.509 4.340 0.007 0.000 0.257 234 L C 1.858 178.867 176.870 0.232 0.000 1.150 234 L CA 0.029 54.963 54.840 0.157 0.000 0.959 234 L CB 0.544 42.674 42.059 0.118 0.000 1.321 234 L HN 0.151 nan 8.230 nan 0.000 0.555 235 V N 0.879 120.885 119.914 0.152 0.000 2.490 235 V HA -0.214 3.910 4.120 0.007 0.000 0.250 235 V C 2.119 178.265 176.094 0.087 0.000 1.061 235 V CA 1.935 64.303 62.300 0.114 0.000 1.064 235 V CB -0.193 31.673 31.823 0.071 0.000 0.670 235 V HN 0.529 nan 8.190 nan 0.000 0.461 236 N N -0.683 118.079 118.700 0.103 0.000 2.166 236 N HA -0.214 4.530 4.740 0.007 0.000 0.186 236 N C 1.431 176.989 175.510 0.080 0.000 1.019 236 N CA 1.934 55.025 53.050 0.068 0.000 0.856 236 N CB -0.518 38.014 38.487 0.076 0.000 0.993 236 N HN 0.823 nan 8.380 nan 0.000 0.426 237 W N 2.035 123.327 121.300 -0.013 0.000 2.363 237 W HA -0.093 4.571 4.660 0.007 0.000 0.296 237 W C 1.855 178.343 176.519 -0.050 0.000 1.212 237 W CA 0.807 58.145 57.345 -0.012 0.000 1.260 237 W CB -0.332 29.139 29.460 0.020 0.000 1.131 237 W HN -0.247 nan 8.180 nan 0.000 0.530 238 V N 1.299 121.176 119.914 -0.063 0.000 2.261 238 V HA -0.350 3.774 4.120 0.007 0.000 0.246 238 V C 2.635 178.456 176.094 -0.453 0.000 1.047 238 V CA 2.242 64.335 62.300 -0.344 0.000 1.015 238 V CB -1.116 30.672 31.823 -0.058 0.000 0.642 238 V HN 0.192 nan 8.190 nan 0.000 0.446 239 Q N -0.114 119.521 119.800 -0.274 0.000 2.096 239 Q HA -0.254 4.090 4.340 0.007 0.000 0.204 239 Q C 2.263 178.070 176.000 -0.323 0.000 0.982 239 Q CA 1.815 57.454 55.803 -0.274 0.000 0.850 239 Q CB -0.469 28.175 28.738 -0.156 0.000 0.901 239 Q HN 0.725 nan 8.270 nan 0.000 0.422 240 Q N -0.346 119.277 119.800 -0.296 0.000 2.124 240 Q HA -0.099 4.245 4.340 0.007 0.000 0.202 240 Q C 2.061 177.827 176.000 -0.390 0.000 0.977 240 Q CA 1.634 57.274 55.803 -0.272 0.000 0.850 240 Q CB -0.120 28.506 28.738 -0.186 0.000 0.901 240 Q HN 0.363 nan 8.270 nan 0.000 0.429 241 T N 1.115 115.294 114.554 -0.624 0.000 2.777 241 T HA -0.099 4.255 4.350 0.007 0.000 0.266 241 T C 1.715 175.945 174.700 -0.784 0.000 1.040 241 T CA 0.809 62.464 62.100 -0.741 0.000 1.141 241 T CB -0.095 68.112 68.868 -1.102 0.000 0.868 241 T HN 0.035 nan 8.240 nan 0.000 0.444 242 L N 1.218 121.905 121.223 -0.894 0.000 2.056 242 L HA 0.092 4.436 4.340 0.007 0.000 0.207 242 L C 2.806 179.369 176.870 -0.513 0.000 1.078 242 L CA 1.466 55.708 54.840 -0.997 0.000 0.749 242 L CB -1.186 40.307 42.059 -0.944 0.000 0.901 242 L HN 0.227 nan 8.230 nan 0.000 0.433 243 A N -0.744 121.853 122.820 -0.372 0.000 1.933 243 A HA -0.095 4.229 4.320 0.007 0.000 0.218 243 A C 2.286 179.777 177.584 -0.155 0.000 1.175 243 A CA 1.655 53.562 52.037 -0.218 0.000 0.628 243 A CB -0.766 18.128 19.000 -0.176 0.000 0.814 243 A HN 0.362 nan 8.150 nan 0.000 0.444 244 A N -1.169 121.548 122.820 -0.172 0.000 2.251 244 A HA 0.230 4.554 4.320 0.007 0.000 0.209 244 A C 0.720 178.284 177.584 -0.034 0.000 1.187 244 A CA 0.018 52.003 52.037 -0.086 0.000 0.823 244 A CB -0.146 18.811 19.000 -0.071 0.000 0.846 244 A HN 0.548 nan 8.150 nan 0.000 0.486 245 N N 0.000 118.666 118.700 -0.057 0.000 1.763 245 N HA 0.000 4.744 4.740 0.007 0.000 0.220 245 N CA 0.000 53.108 53.050 0.097 0.000 0.885 245 N CB 0.000 38.568 38.487 0.135 0.000 1.341 245 N HN 0.000 nan 8.380 nan 0.000 0.667