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 2vc2_1_B DATA FIRST_RESID 1 DATA SEQUENCE GPNIcTTRGV SScQQcLAVS PMcAWcSDEA LPLGSPRcDL KENLLKDNcA DATA SEQUENCE PESIEFPVSE ARVLEDRPLS DKXXXXSSQV TQVSPQRIAL RLRPDDSKNF DATA SEQUENCE SIQVRQVEDY PVDIYYLMDL SYSMKDDLWS IQNLGTKLAT QMRKLTSNLR DATA SEQUENCE IGFGAFVDKP VSPYMYISPP EALENPcYDM KTTcLPMFGY KHVLTLTDQV DATA SEQUENCE TRFNEEVKKQ SVSRNRDAPE GGFDAIMQAT VcDEKIGWRN DASHLLVFTT DATA SEQUENCE DAKTHIALDG RLAGIVQPND GQcHVGSDNH YSASTTMDYP SLGLMTEKLS DATA SEQUENCE QKNINLIFAV TENVVNLYQN YSELIPGTTV GVLSMDSSNV LQLIVDAYGK DATA SEQUENCE IRSKVELEVR DLPEELSLSF NATcLNNEVI PGLKScMGLK IGDTVSFSIE DATA SEQUENCE AKVRGcPQEK EKSFTIKPVG FKDSLIVQVT FDcDcAcQAQ AEPNSHRcNN DATA SEQUENCE GNGTFEcGVc R 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1 G C 0.000 174.897 174.900 -0.005 0.000 0.946 1 G CA 0.000 45.097 45.100 -0.004 0.000 0.502 2 P HA 0.582 nan 4.420 nan 0.000 0.281 2 P C -1.131 176.168 177.300 -0.002 0.000 1.264 2 P CA -0.528 62.569 63.100 -0.005 0.000 0.824 2 P CB 1.484 33.182 31.700 -0.004 0.000 1.092 3 N N -0.479 118.220 118.700 -0.002 0.000 2.476 3 N HA 0.146 4.886 4.740 0.000 0.000 0.276 3 N C 0.799 176.315 175.510 0.011 0.000 1.204 3 N CA -0.790 52.262 53.050 0.004 0.000 0.974 3 N CB 0.629 39.116 38.487 0.001 0.000 1.204 3 N HN 0.424 nan 8.380 nan 0.000 0.543 4 I N -0.402 120.178 120.570 0.018 0.000 2.493 4 I HA -0.201 3.969 4.170 0.000 0.000 0.254 4 I C 1.004 177.141 176.117 0.033 0.000 1.160 4 I CA 0.735 62.049 61.300 0.024 0.000 1.445 4 I CB -0.069 37.947 38.000 0.027 0.000 1.086 4 I HN 0.665 nan 8.210 nan 0.000 0.433 5 c N 0.413 119.035 118.600 0.037 0.000 2.462 5 c HA -0.165 4.405 4.570 0.000 0.000 0.278 5 c C 2.967 177.086 174.090 0.049 0.000 1.253 5 c CA 1.573 57.934 56.329 0.054 0.000 1.713 5 c CB -1.571 40.972 42.510 0.054 0.000 2.049 5 c HN 0.630 nan 8.230 nan 0.000 0.477 6 T N -0.143 114.425 114.554 0.023 0.000 2.777 6 T HA -0.154 4.196 4.350 0.000 0.000 0.266 6 T C 1.271 175.983 174.700 0.020 0.000 1.040 6 T CA 2.027 64.134 62.100 0.012 0.000 1.141 6 T CB -1.032 67.831 68.868 -0.008 0.000 0.868 6 T HN 0.634 nan 8.240 nan 0.000 0.444 7 T N 0.051 114.617 114.554 0.020 0.000 3.332 7 T HA 0.399 4.749 4.350 0.000 0.000 0.246 7 T C 0.330 175.045 174.700 0.025 0.000 0.943 7 T CA -0.782 61.329 62.100 0.018 0.000 0.922 7 T CB -0.522 68.353 68.868 0.013 0.000 1.086 7 T HN 0.381 nan 8.240 nan 0.000 0.590 8 R N 0.277 120.798 120.500 0.035 0.000 2.837 8 R HA 0.407 4.747 4.340 0.000 0.000 0.245 8 R C 1.278 177.606 176.300 0.047 0.000 1.712 8 R CA -0.126 55.996 56.100 0.037 0.000 1.539 8 R CB 0.569 30.891 30.300 0.037 0.000 1.490 8 R HN 0.428 nan 8.270 nan 0.000 0.667 9 G N 1.470 110.297 108.800 0.044 0.000 5.186 9 G HA2 -0.488 3.472 3.960 0.000 0.000 0.291 9 G HA3 -0.488 3.472 3.960 0.000 0.000 0.291 9 G C 0.478 175.426 174.900 0.080 0.000 1.394 9 G CA 1.247 46.378 45.100 0.051 0.000 1.121 9 G HN 1.260 nan 8.290 nan 0.000 0.802 10 V N -2.686 117.288 119.914 0.099 0.000 5.889 10 V HA -0.185 3.935 4.120 0.000 0.000 0.209 10 V C 1.216 177.440 176.094 0.217 0.000 0.681 10 V CA 1.956 64.361 62.300 0.176 0.000 0.547 10 V CB -2.472 29.497 31.823 0.243 0.000 0.309 10 V HN 1.600 nan 8.190 nan 0.000 0.471 11 S N 0.591 116.368 115.700 0.127 0.000 2.414 11 S HA 0.138 4.608 4.470 0.000 0.000 0.227 11 S C 0.958 175.614 174.600 0.094 0.000 1.022 11 S CA 0.963 59.233 58.200 0.117 0.000 0.958 11 S CB 0.050 63.282 63.200 0.053 0.000 0.797 11 S HN 1.841 nan 8.310 nan 0.000 0.493 12 S N -1.063 114.593 115.700 -0.073 0.000 2.667 12 S HA 0.373 4.843 4.470 0.000 0.000 0.292 12 S C 0.698 174.744 174.600 -0.923 0.000 1.126 12 S CA -0.643 57.310 58.200 -0.410 0.000 0.881 12 S CB 1.000 64.036 63.200 -0.274 0.000 1.132 12 S HN 0.189 nan 8.310 nan 0.000 0.492 13 c N 0.488 118.234 118.600 -1.423 0.000 2.422 13 c HA -0.049 4.521 4.570 0.000 0.000 0.279 13 c C 2.645 176.420 174.090 -0.526 0.000 1.305 13 c CA 1.743 57.246 56.329 -1.377 0.000 1.757 13 c CB -1.583 40.197 42.510 -1.216 0.000 1.962 13 c HN 1.041 nan 8.230 nan 0.000 0.499 14 Q N -0.332 119.241 119.800 -0.377 0.000 2.083 14 Q HA -0.184 4.156 4.340 0.000 0.000 0.198 14 Q C 2.279 178.205 176.000 -0.123 0.000 0.969 14 Q CA 1.585 57.271 55.803 -0.195 0.000 0.838 14 Q CB -0.104 28.540 28.738 -0.156 0.000 0.900 14 Q HN 0.739 nan 8.270 nan 0.000 0.436 15 Q N -0.791 118.935 119.800 -0.123 0.000 2.224 15 Q HA -0.152 4.188 4.340 0.000 0.000 0.203 15 Q C 2.305 178.307 176.000 0.003 0.000 0.970 15 Q CA 1.165 56.940 55.803 -0.047 0.000 0.865 15 Q CB -0.179 28.543 28.738 -0.027 0.000 0.922 15 Q HN 0.452 nan 8.270 nan 0.000 0.445 16 c N 0.390 118.996 118.600 0.011 0.000 2.453 16 c HA -0.077 4.493 4.570 0.000 0.000 0.277 16 c C 2.340 176.489 174.090 0.098 0.000 1.262 16 c CA 0.610 57.016 56.329 0.128 0.000 1.718 16 c CB -0.868 41.824 42.510 0.304 0.000 2.031 16 c HN 0.505 nan 8.230 nan 0.000 0.480 17 L N 1.093 122.344 121.223 0.046 0.000 2.201 17 L HA -0.045 4.295 4.340 0.000 0.000 0.212 17 L C 2.866 179.752 176.870 0.026 0.000 1.105 17 L CA 1.331 56.196 54.840 0.042 0.000 0.775 17 L CB -0.682 41.380 42.059 0.005 0.000 0.913 17 L HN 0.431 nan 8.230 nan 0.000 0.440 18 A N -0.447 122.379 122.820 0.010 0.000 2.067 18 A HA -0.058 4.262 4.320 0.000 0.000 0.219 18 A C 2.268 179.862 177.584 0.017 0.000 1.158 18 A CA 1.067 53.106 52.037 0.003 0.000 0.661 18 A CB -0.408 18.585 19.000 -0.011 0.000 0.801 18 A HN 0.195 nan 8.150 nan 0.000 0.452 19 V N -0.936 118.999 119.914 0.035 0.000 2.239 19 V HA 0.036 4.156 4.120 0.000 0.000 0.242 19 V C 1.268 177.387 176.094 0.041 0.000 1.038 19 V CA 1.781 64.105 62.300 0.040 0.000 1.002 19 V CB -0.332 31.525 31.823 0.056 0.000 0.641 19 V HN 0.587 nan 8.190 nan 0.000 0.449 20 S N -2.066 113.668 115.700 0.058 0.000 2.537 20 S HA 0.422 4.892 4.470 0.000 0.000 0.271 20 S C -2.549 172.101 174.600 0.083 0.000 1.148 20 S CA -0.834 57.403 58.200 0.061 0.000 0.868 20 S CB 1.824 65.061 63.200 0.062 0.000 1.115 20 S HN 0.054 nan 8.310 nan 0.000 0.461 21 P HA -0.073 nan 4.420 nan 0.000 0.220 21 P C 1.262 178.672 177.300 0.183 0.000 1.144 21 P CA 1.236 64.381 63.100 0.075 0.000 0.800 21 P CB -0.163 31.565 31.700 0.047 0.000 0.772 22 M N -3.814 115.914 119.600 0.213 0.000 2.495 22 M HA 0.169 4.649 4.480 0.000 0.000 0.237 22 M C -0.156 176.316 176.300 0.286 0.000 1.131 22 M CA 0.358 55.839 55.300 0.302 0.000 1.032 22 M CB -0.641 32.049 32.600 0.151 0.000 1.513 22 M HN -0.272 nan 8.290 nan 0.000 0.488 23 c N 2.814 121.577 118.600 0.272 0.000 2.536 23 c HA 0.824 5.394 4.570 0.000 0.000 0.396 23 c C 0.889 175.176 174.090 0.327 0.000 1.279 23 c CA -0.621 55.834 56.329 0.211 0.000 2.148 23 c CB 0.415 43.027 42.510 0.170 0.000 2.584 23 c HN 0.626 nan 8.230 nan 0.000 0.579 24 A N 3.265 126.201 122.820 0.194 0.000 2.423 24 A HA 0.857 5.177 4.320 0.000 0.000 0.304 24 A C -1.284 176.442 177.584 0.237 0.000 1.104 24 A CA -0.425 51.755 52.037 0.238 0.000 0.757 24 A CB 1.249 20.250 19.000 0.001 0.000 1.313 24 A HN 0.961 nan 8.150 nan 0.000 0.423 25 W N 1.291 122.627 121.300 0.060 0.000 2.736 25 W HA 0.515 5.175 4.660 0.000 0.000 0.335 25 W C -1.367 175.159 176.519 0.012 0.000 1.059 25 W CA -0.792 56.568 57.345 0.025 0.000 1.226 25 W CB 1.833 31.306 29.460 0.022 0.000 1.416 25 W HN 0.806 nan 8.180 nan 0.000 0.505 26 c N 4.808 123.129 118.600 -0.466 0.000 2.223 26 c HA 0.377 4.947 4.570 0.000 0.000 0.324 26 c C 1.197 175.158 174.090 -0.214 0.000 1.196 26 c CA -0.090 56.080 56.329 -0.265 0.000 1.628 26 c CB -0.009 42.327 42.510 -0.289 0.000 2.229 26 c HN 0.676 nan 8.230 nan 0.000 0.486 27 S N 2.395 118.140 115.700 0.075 0.000 2.461 27 S HA -0.044 4.426 4.470 0.000 0.000 0.228 27 S C 0.514 175.148 174.600 0.056 0.000 1.005 27 S CA 0.372 58.661 58.200 0.148 0.000 0.942 27 S CB -0.318 62.978 63.200 0.161 0.000 0.776 27 S HN 0.948 nan 8.310 nan 0.000 0.514 28 D N 2.212 122.621 120.400 0.015 0.000 2.520 28 D HA -0.044 4.596 4.640 0.000 0.000 0.243 28 D C 0.883 177.193 176.300 0.016 0.000 1.160 28 D CA 0.340 54.349 54.000 0.014 0.000 0.877 28 D CB 0.498 41.295 40.800 -0.006 0.000 1.150 28 D HN 0.289 nan 8.370 nan 0.000 0.494 29 E N 2.810 123.039 120.200 0.050 0.000 2.285 29 E HA -0.079 4.271 4.350 0.000 0.000 0.194 29 E C 1.619 178.242 176.600 0.039 0.000 0.997 29 E CA 0.549 56.990 56.400 0.069 0.000 0.845 29 E CB 0.076 29.847 29.700 0.119 0.000 0.782 29 E HN 0.585 nan 8.360 nan 0.000 0.491 30 A N 0.813 123.647 122.820 0.024 0.000 2.125 30 A HA -0.063 4.257 4.320 0.000 0.000 0.219 30 A C 1.069 178.652 177.584 -0.003 0.000 1.156 30 A CA 0.192 52.236 52.037 0.011 0.000 0.671 30 A CB -0.347 18.658 19.000 0.008 0.000 0.794 30 A HN 0.306 nan 8.150 nan 0.000 0.459 31 L N 1.679 122.893 121.223 -0.014 0.000 2.490 31 L HA 0.225 4.565 4.340 0.000 0.000 0.274 31 L C -1.894 174.960 176.870 -0.026 0.000 1.201 31 L CA -1.411 53.409 54.840 -0.033 0.000 0.869 31 L CB 0.138 42.158 42.059 -0.065 0.000 1.123 31 L HN 0.113 nan 8.230 nan 0.000 0.484 32 P HA 0.047 nan 4.420 nan 0.000 0.271 32 P C 0.753 178.036 177.300 -0.027 0.000 1.218 32 P CA -0.215 62.872 63.100 -0.021 0.000 0.780 32 P CB 0.768 32.455 31.700 -0.021 0.000 0.901 33 L N 1.425 122.639 121.223 -0.015 0.000 2.275 33 L HA -0.079 4.261 4.340 0.000 0.000 0.215 33 L C 2.604 179.460 176.870 -0.023 0.000 1.119 33 L CA 1.617 56.448 54.840 -0.014 0.000 0.790 33 L CB -0.987 41.073 42.059 0.003 0.000 0.919 33 L HN 0.568 nan 8.230 nan 0.000 0.443 34 G N -0.981 107.806 108.800 -0.023 0.000 2.448 34 G HA2 -0.145 3.815 3.960 0.000 0.000 0.219 34 G HA3 -0.145 3.815 3.960 0.000 0.000 0.219 34 G C 0.816 175.692 174.900 -0.039 0.000 1.127 34 G CA 0.121 45.206 45.100 -0.026 0.000 0.766 34 G HN 0.303 nan 8.290 nan 0.000 0.552 35 S N 1.508 117.176 115.700 -0.052 0.000 2.580 35 S HA 0.438 4.908 4.470 0.000 0.000 0.274 35 S C -2.170 172.369 174.600 -0.101 0.000 1.329 35 S CA -0.811 57.346 58.200 -0.073 0.000 1.036 35 S CB 1.683 64.834 63.200 -0.082 0.000 0.919 35 S HN 0.167 nan 8.310 nan 0.000 0.515 36 P HA 0.393 nan 4.420 nan 0.000 0.285 36 P C -0.115 177.033 177.300 -0.253 0.000 1.259 36 P CA -0.572 62.439 63.100 -0.149 0.000 0.794 36 P CB 1.086 32.726 31.700 -0.100 0.000 0.940 37 R N 1.047 121.291 120.500 -0.426 0.000 2.100 37 R HA 0.066 4.406 4.340 0.000 0.000 0.220 37 R C 0.681 176.554 176.300 -0.712 0.000 1.091 37 R CA 0.687 56.316 56.100 -0.785 0.000 0.986 37 R CB -0.275 29.157 30.300 -1.446 0.000 0.888 37 R HN 0.465 nan 8.270 nan 0.000 0.444 38 c N 2.061 120.415 118.600 -0.410 0.000 2.256 38 c HA 0.325 4.895 4.570 0.000 0.000 0.333 38 c C -0.640 173.440 174.090 -0.016 0.000 1.183 38 c CA -0.476 55.843 56.329 -0.017 0.000 1.692 38 c CB -0.908 41.750 42.510 0.246 0.000 2.274 38 c HN 0.331 nan 8.230 nan 0.000 0.509 39 D N 2.646 123.036 120.400 -0.017 0.000 2.759 39 D HA 0.372 5.012 4.640 0.000 0.000 0.321 39 D C -0.881 175.399 176.300 -0.034 0.000 1.267 39 D CA -0.390 53.590 54.000 -0.033 0.000 0.933 39 D CB 1.363 42.119 40.800 -0.074 0.000 1.431 39 D HN 0.450 nan 8.370 nan 0.000 0.504 40 L N 1.629 122.818 121.223 -0.056 0.000 2.467 40 L HA 0.194 4.534 4.340 0.000 0.000 0.270 40 L C 1.931 178.700 176.870 -0.167 0.000 1.205 40 L CA 0.030 54.809 54.840 -0.102 0.000 0.828 40 L CB 0.554 42.565 42.059 -0.081 0.000 1.101 40 L HN 0.444 nan 8.230 nan 0.000 0.479 41 K N 1.081 121.301 120.400 -0.300 0.000 2.283 41 K HA -0.141 4.179 4.320 0.000 0.000 0.202 41 K C 1.508 177.989 176.600 -0.198 0.000 1.048 41 K CA 1.169 57.259 56.287 -0.328 0.000 0.948 41 K CB 0.277 32.408 32.500 -0.615 0.000 0.742 41 K HN 0.590 nan 8.250 nan 0.000 0.458 42 E N 0.493 120.597 120.200 -0.161 0.000 2.051 42 E HA -0.168 4.182 4.350 0.000 0.000 0.192 42 E C 1.687 178.237 176.600 -0.084 0.000 0.991 42 E CA 1.417 57.756 56.400 -0.102 0.000 0.799 42 E CB -0.089 29.564 29.700 -0.078 0.000 0.748 42 E HN 0.256 nan 8.360 nan 0.000 0.449 43 N N 0.349 118.998 118.700 -0.085 0.000 2.188 43 N HA -0.096 4.644 4.740 0.000 0.000 0.184 43 N C 1.791 177.254 175.510 -0.078 0.000 1.018 43 N CA 0.807 53.814 53.050 -0.072 0.000 0.858 43 N CB -0.218 38.229 38.487 -0.067 0.000 0.989 43 N HN 0.132 nan 8.380 nan 0.000 0.426 44 L N 0.493 121.660 121.223 -0.094 0.000 1.994 44 L HA -0.108 4.232 4.340 0.000 0.000 0.208 44 L C 2.176 179.001 176.870 -0.075 0.000 1.071 44 L CA 0.972 55.755 54.840 -0.094 0.000 0.745 44 L CB -0.571 41.426 42.059 -0.103 0.000 0.892 44 L HN 0.125 nan 8.230 nan 0.000 0.431 45 L N -0.238 120.942 121.223 -0.071 0.000 2.127 45 L HA -0.244 4.097 4.340 0.000 0.000 0.211 45 L C 2.647 179.489 176.870 -0.046 0.000 1.089 45 L CA 1.284 56.092 54.840 -0.054 0.000 0.757 45 L CB -0.487 41.541 42.059 -0.052 0.000 0.899 45 L HN 0.289 nan 8.230 nan 0.000 0.434 46 K N 0.111 120.481 120.400 -0.050 0.000 2.148 46 K HA -0.137 4.183 4.320 0.000 0.000 0.204 46 K C 0.178 176.754 176.600 -0.040 0.000 1.050 46 K CA 1.134 57.397 56.287 -0.041 0.000 0.942 46 K CB 0.158 32.633 32.500 -0.042 0.000 0.724 46 K HN 0.214 nan 8.250 nan 0.000 0.446 47 D N 1.232 121.603 120.400 -0.048 0.000 2.889 47 D HA 0.074 4.714 4.640 0.000 0.000 0.243 47 D C -0.624 175.649 176.300 -0.045 0.000 1.270 47 D CA 0.018 53.989 54.000 -0.048 0.000 0.838 47 D CB 0.063 40.828 40.800 -0.059 0.000 1.040 47 D HN 0.141 nan 8.370 nan 0.000 0.480 48 N N -0.742 117.936 118.700 -0.037 0.000 2.713 48 N HA -0.222 4.518 4.740 0.000 0.000 0.251 48 N C -0.191 175.299 175.510 -0.032 0.000 1.117 48 N CA 0.425 53.456 53.050 -0.030 0.000 0.770 48 N CB -2.052 36.420 38.487 -0.026 0.000 1.137 48 N HN 0.399 nan 8.380 nan 0.000 0.566 49 c N 1.555 120.129 118.600 -0.043 0.000 2.566 49 c HA 0.610 5.180 4.570 0.000 0.000 0.393 49 c C 1.330 175.404 174.090 -0.028 0.000 1.309 49 c CA -0.420 55.883 56.329 -0.044 0.000 1.801 49 c CB -1.094 41.376 42.510 -0.067 0.000 2.493 49 c HN 0.478 nan 8.230 nan 0.000 0.575 50 A N 8.512 131.322 122.820 -0.016 0.000 2.522 50 A HA 0.317 4.637 4.320 0.000 0.000 0.256 50 A C -1.075 176.509 177.584 0.001 0.000 1.086 50 A CA -0.624 51.410 52.037 -0.005 0.000 0.763 50 A CB -0.071 18.931 19.000 0.003 0.000 1.024 50 A HN 0.810 nan 8.150 nan 0.000 0.502 51 P HA -0.182 nan 4.420 nan 0.000 0.218 51 P C 0.788 178.102 177.300 0.024 0.000 1.146 51 P CA 1.573 64.679 63.100 0.009 0.000 0.813 51 P CB 0.185 31.889 31.700 0.007 0.000 0.778 52 E N -1.083 119.131 120.200 0.023 0.000 2.208 52 E HA -0.053 4.297 4.350 0.000 0.000 0.193 52 E C 1.595 178.218 176.600 0.040 0.000 0.988 52 E CA 1.064 57.482 56.400 0.030 0.000 0.828 52 E CB -0.382 29.332 29.700 0.024 0.000 0.763 52 E HN 0.237 nan 8.360 nan 0.000 0.478 53 S N 0.247 115.970 115.700 0.037 0.000 2.548 53 S HA 0.162 4.632 4.470 0.000 0.000 0.215 53 S C 0.726 175.370 174.600 0.072 0.000 0.976 53 S CA -0.091 58.139 58.200 0.050 0.000 0.908 53 S CB 0.219 63.440 63.200 0.034 0.000 0.781 53 S HN 0.123 nan 8.310 nan 0.000 0.519 54 I N 2.946 123.556 120.570 0.066 0.000 2.471 54 I HA 0.109 4.279 4.170 0.000 0.000 0.286 54 I C 0.076 176.280 176.117 0.146 0.000 1.079 54 I CA 0.027 61.381 61.300 0.090 0.000 1.398 54 I CB 0.598 38.631 38.000 0.054 0.000 1.403 54 I HN 0.017 nan 8.210 nan 0.000 0.530 55 E N 6.991 127.315 120.200 0.206 0.000 2.081 55 E HA 0.264 4.615 4.350 0.000 0.000 0.276 55 E C -1.140 175.641 176.600 0.302 0.000 0.950 55 E CA -0.345 56.184 56.400 0.214 0.000 0.776 55 E CB 1.891 31.712 29.700 0.201 0.000 1.094 55 E HN 0.355 nan 8.360 nan 0.000 0.402 56 F N 4.922 124.908 119.950 0.060 0.000 3.065 56 F HA 0.289 4.816 4.527 0.000 0.000 0.383 56 F C -2.567 173.254 175.800 0.035 0.000 1.259 56 F CA -2.215 55.815 58.000 0.051 0.000 1.217 56 F CB 0.864 39.891 39.000 0.045 0.000 2.042 56 F HN 0.140 nan 8.300 nan 0.000 0.641 57 P HA 0.346 nan 4.420 nan 0.000 0.271 57 P C -1.030 176.020 177.300 -0.416 0.000 1.216 57 P CA -0.111 62.847 63.100 -0.236 0.000 0.771 57 P CB 1.354 32.976 31.700 -0.130 0.000 0.864 58 V N 2.133 121.874 119.914 -0.288 0.000 2.495 58 V HA 0.285 4.405 4.120 0.000 0.000 0.298 58 V C 0.339 176.352 176.094 -0.134 0.000 1.031 58 V CA -0.646 61.501 62.300 -0.254 0.000 0.871 58 V CB 1.744 33.458 31.823 -0.182 0.000 0.988 58 V HN 0.505 nan 8.190 nan 0.000 0.432 59 S N 3.728 119.365 115.700 -0.105 0.000 2.576 59 S HA 0.453 4.923 4.470 0.000 0.000 0.276 59 S C -0.099 174.478 174.600 -0.039 0.000 1.339 59 S CA -0.498 57.667 58.200 -0.059 0.000 1.039 59 S CB 0.462 63.643 63.200 -0.033 0.000 0.902 59 S HN 0.975 nan 8.310 nan 0.000 0.516 60 E N 0.195 120.373 120.200 -0.036 0.000 2.390 60 E HA 0.763 5.113 4.350 0.000 0.000 0.277 60 E C -1.023 175.557 176.600 -0.034 0.000 0.939 60 E CA -1.255 55.130 56.400 -0.025 0.000 0.769 60 E CB 1.376 31.057 29.700 -0.031 0.000 1.251 60 E HN 0.529 nan 8.360 nan 0.000 0.450 61 A N 1.865 124.673 122.820 -0.020 0.000 2.248 61 A HA 0.824 5.144 4.320 0.000 0.000 0.316 61 A C -0.451 177.096 177.584 -0.061 0.000 1.101 61 A CA -0.784 51.220 52.037 -0.055 0.000 0.875 61 A CB 0.931 19.924 19.000 -0.010 0.000 1.207 61 A HN 0.553 nan 8.150 nan 0.000 0.504 62 R N 0.235 120.681 120.500 -0.090 0.000 2.585 62 R HA 0.276 4.616 4.340 0.000 0.000 0.288 62 R C -1.289 174.963 176.300 -0.081 0.000 1.194 62 R CA -0.445 55.612 56.100 -0.072 0.000 1.006 62 R CB 1.589 31.845 30.300 -0.073 0.000 1.229 62 R HN 0.766 nan 8.270 nan 0.000 0.412 63 V N 3.324 123.206 119.914 -0.053 0.000 2.416 63 V HA 0.062 4.182 4.120 0.000 0.000 0.260 63 V C 1.307 177.371 176.094 -0.049 0.000 1.018 63 V CA 0.256 62.528 62.300 -0.048 0.000 1.120 63 V CB -0.431 31.379 31.823 -0.022 0.000 1.081 63 V HN 0.729 nan 8.190 nan 0.000 0.474 64 L N 2.173 123.357 121.223 -0.065 0.000 2.084 64 L HA 0.279 4.619 4.340 0.000 0.000 0.202 64 L C 1.277 178.120 176.870 -0.046 0.000 1.074 64 L CA 0.951 55.756 54.840 -0.058 0.000 0.757 64 L CB -0.028 41.987 42.059 -0.073 0.000 0.918 64 L HN 0.605 nan 8.230 nan 0.000 0.444 65 E N 0.509 120.680 120.200 -0.048 0.000 2.129 65 E HA 0.162 4.512 4.350 0.000 0.000 0.268 65 E C -1.041 175.543 176.600 -0.027 0.000 0.900 65 E CA -0.083 56.297 56.400 -0.035 0.000 0.755 65 E CB 1.637 31.314 29.700 -0.037 0.000 1.117 65 E HN -0.013 nan 8.360 nan 0.000 0.410 66 D N 3.283 123.673 120.400 -0.016 0.000 2.945 66 D HA 0.120 4.760 4.640 0.000 0.000 0.340 66 D C -0.713 175.586 176.300 -0.002 0.000 1.240 66 D CA -0.414 53.581 54.000 -0.008 0.000 0.749 66 D CB 0.176 40.971 40.800 -0.007 0.000 1.217 66 D HN 0.157 nan 8.370 nan 0.000 0.514 67 R N 1.455 121.955 120.500 -0.001 0.000 2.490 67 R HA 0.382 4.722 4.340 0.000 0.000 0.280 67 R C -1.955 174.350 176.300 0.009 0.000 1.077 67 R CA -1.122 54.980 56.100 0.003 0.000 1.065 67 R CB 0.512 30.814 30.300 0.004 0.000 1.003 67 R HN 0.244 nan 8.270 nan 0.000 0.470 68 P HA 0.025 nan 4.420 nan 0.000 0.274 68 P C -0.508 176.803 177.300 0.018 0.000 1.246 68 P CA -0.185 62.922 63.100 0.013 0.000 0.795 68 P CB 0.621 32.327 31.700 0.010 0.000 1.006 69 L N 0.521 121.757 121.223 0.021 0.000 2.439 69 L HA 0.151 4.491 4.340 0.000 0.000 0.269 69 L C 1.240 178.125 176.870 0.024 0.000 1.179 69 L CA -0.185 54.672 54.840 0.028 0.000 0.828 69 L CB 0.020 42.098 42.059 0.031 0.000 1.106 69 L HN 0.382 nan 8.230 nan 0.000 0.467 70 S N 0.585 116.302 115.700 0.029 0.000 2.614 70 S HA 0.293 4.763 4.470 0.000 0.000 0.265 70 S C -0.497 174.113 174.600 0.017 0.000 1.303 70 S CA -0.751 57.462 58.200 0.021 0.000 1.000 70 S CB 1.006 64.218 63.200 0.021 0.000 0.935 70 S HN 0.542 nan 8.310 nan 0.000 0.551 71 D N 0.105 120.511 120.400 0.011 0.000 2.801 71 D HA 0.600 5.240 4.640 0.000 0.000 0.277 71 D C -0.478 175.823 176.300 0.003 0.000 1.125 71 D CA -0.573 53.431 54.000 0.008 0.000 1.102 71 D CB 1.073 41.877 40.800 0.007 0.000 1.400 71 D HN 0.347 nan 8.370 nan 0.000 0.601 78 S N 1.197 116.895 115.700 -0.004 0.000 4.772 78 S HA 0.245 4.715 4.470 0.000 0.000 0.177 78 S C 1.241 175.842 174.600 0.001 0.000 1.117 78 S CA 0.268 58.467 58.200 -0.002 0.000 1.250 78 S CB 0.116 63.315 63.200 -0.001 0.000 1.749 78 S HN 0.538 nan 8.310 nan 0.000 0.589 79 Q N 0.930 120.732 119.800 0.004 0.000 2.581 79 Q HA 0.337 4.677 4.340 0.000 0.000 0.222 79 Q C -0.846 175.161 176.000 0.013 0.000 0.904 79 Q CA 0.757 56.565 55.803 0.007 0.000 0.923 79 Q CB 0.840 29.582 28.738 0.008 0.000 1.117 79 Q HN 0.248 nan 8.270 nan 0.000 0.618 80 V N 2.316 122.238 119.914 0.014 0.000 4.190 80 V HA -0.184 3.936 4.120 0.000 0.000 0.437 80 V C -0.874 175.243 176.094 0.038 0.000 0.680 80 V CA 1.101 63.414 62.300 0.022 0.000 1.799 80 V CB -1.622 30.210 31.823 0.016 0.000 2.188 80 V HN 0.409 nan 8.190 nan 0.000 0.488 81 T N 6.427 121.005 114.554 0.040 0.000 2.743 81 T HA 0.434 4.784 4.350 0.000 0.000 0.292 81 T C 0.790 175.532 174.700 0.070 0.000 0.972 81 T CA -0.230 61.899 62.100 0.049 0.000 0.967 81 T CB 1.842 70.730 68.868 0.033 0.000 0.926 81 T HN 0.754 nan 8.240 nan 0.000 0.459 82 Q N 1.613 121.475 119.800 0.103 0.000 2.431 82 Q HA 0.222 4.562 4.340 0.000 0.000 0.244 82 Q C 0.306 176.349 176.000 0.072 0.000 0.880 82 Q CA 0.168 56.058 55.803 0.145 0.000 0.954 82 Q CB 0.823 29.758 28.738 0.328 0.000 1.105 82 Q HN 0.423 nan 8.270 nan 0.000 0.558 83 V N 0.630 120.573 119.914 0.048 0.000 2.617 83 V HA 0.509 4.629 4.120 0.000 0.000 0.298 83 V C -0.269 175.840 176.094 0.026 0.000 1.048 83 V CA -0.407 61.899 62.300 0.010 0.000 0.964 83 V CB 1.689 33.507 31.823 -0.007 0.000 1.004 83 V HN 0.049 nan 8.190 nan 0.000 0.466 84 S N 4.844 120.563 115.700 0.030 0.000 2.563 84 S HA 0.545 5.015 4.470 0.000 0.000 0.279 84 S C -3.024 171.603 174.600 0.045 0.000 1.155 84 S CA -0.848 57.370 58.200 0.030 0.000 0.928 84 S CB 2.325 65.542 63.200 0.028 0.000 1.107 84 S HN 0.565 nan 8.310 nan 0.000 0.462 85 P HA 0.345 nan 4.420 nan 0.000 0.274 85 P C -0.218 177.079 177.300 -0.004 0.000 1.256 85 P CA -0.153 62.954 63.100 0.011 0.000 0.795 85 P CB 0.679 32.379 31.700 0.000 0.000 1.038 86 Q N -0.674 119.114 119.800 -0.021 0.000 2.297 86 Q HA 0.145 4.485 4.340 0.000 0.000 0.203 86 Q C 0.894 176.854 176.000 -0.067 0.000 0.931 86 Q CA 1.018 56.802 55.803 -0.032 0.000 0.885 86 Q CB 0.308 29.032 28.738 -0.022 0.000 0.991 86 Q HN 0.347 nan 8.270 nan 0.000 0.498 87 R N 0.530 120.981 120.500 -0.080 0.000 2.502 87 R HA 0.493 4.833 4.340 0.000 0.000 0.298 87 R C -1.539 174.676 176.300 -0.143 0.000 1.018 87 R CA -0.189 55.839 56.100 -0.120 0.000 0.899 87 R CB 0.812 31.053 30.300 -0.098 0.000 1.181 87 R HN 0.053 nan 8.270 nan 0.000 0.444 88 I N 2.810 123.250 120.570 -0.218 0.000 2.530 88 I HA 0.468 4.638 4.170 0.000 0.000 0.297 88 I C -0.181 175.772 176.117 -0.273 0.000 1.011 88 I CA -1.058 60.089 61.300 -0.256 0.000 1.107 88 I CB 2.166 39.931 38.000 -0.392 0.000 1.285 88 I HN 0.667 nan 8.210 nan 0.000 0.436 89 A N 7.592 130.283 122.820 -0.214 0.000 2.280 89 A HA 0.620 4.940 4.320 0.000 0.000 0.320 89 A C -0.602 176.862 177.584 -0.201 0.000 1.366 89 A CA -0.409 51.511 52.037 -0.196 0.000 0.938 89 A CB 0.256 19.172 19.000 -0.140 0.000 1.157 89 A HN 0.659 nan 8.150 nan 0.000 0.536 90 L N 2.492 123.577 121.223 -0.230 0.000 2.326 90 L HA 0.514 4.854 4.340 0.000 0.000 0.278 90 L C 0.678 177.444 176.870 -0.173 0.000 1.092 90 L CA -0.323 54.407 54.840 -0.184 0.000 0.810 90 L CB 1.196 43.157 42.059 -0.164 0.000 1.153 90 L HN 0.770 nan 8.230 nan 0.000 0.439 91 R N 4.456 124.878 120.500 -0.131 0.000 2.435 91 R HA 0.596 4.936 4.340 0.000 0.000 0.308 91 R C -1.538 174.709 176.300 -0.088 0.000 0.975 91 R CA -0.504 55.517 56.100 -0.132 0.000 0.867 91 R CB 1.070 31.309 30.300 -0.101 0.000 1.171 91 R HN 0.580 nan 8.270 nan 0.000 0.470 92 L N 3.965 125.138 121.223 -0.083 0.000 2.303 92 L HA 0.672 5.012 4.340 0.000 0.000 0.266 92 L C 0.065 176.969 176.870 0.057 0.000 1.011 92 L CA -1.191 53.653 54.840 0.007 0.000 0.818 92 L CB 2.015 44.117 42.059 0.071 0.000 1.326 92 L HN 0.619 nan 8.230 nan 0.000 0.435 93 R N 0.272 120.800 120.500 0.046 0.000 2.873 93 R HA 0.654 4.994 4.340 0.000 0.000 0.264 93 R C -2.826 173.508 176.300 0.056 0.000 1.026 93 R CA -2.159 53.966 56.100 0.041 0.000 1.002 93 R CB 0.512 30.799 30.300 -0.022 0.000 1.174 93 R HN 0.146 nan 8.270 nan 0.000 0.488 94 P HA -0.076 nan 4.420 nan 0.000 0.261 94 P C -0.653 176.660 177.300 0.020 0.000 1.173 94 P CA 0.836 63.948 63.100 0.021 0.000 0.760 94 P CB 0.232 31.935 31.700 0.004 0.000 0.783 95 D N -0.835 119.574 120.400 0.015 0.000 2.462 95 D HA -0.205 4.435 4.640 0.000 0.000 0.172 95 D C 0.403 176.718 176.300 0.025 0.000 1.218 95 D CA 1.623 55.632 54.000 0.014 0.000 1.131 95 D CB -1.349 39.458 40.800 0.011 0.000 1.155 95 D HN 0.462 nan 8.370 nan 0.000 0.443 96 D N 0.177 120.596 120.400 0.032 0.000 2.368 96 D HA 0.391 5.031 4.640 0.000 0.000 0.240 96 D C 0.277 176.599 176.300 0.038 0.000 1.169 96 D CA 0.409 54.426 54.000 0.028 0.000 0.906 96 D CB 0.806 41.613 40.800 0.013 0.000 1.187 96 D HN 0.220 nan 8.370 nan 0.000 0.435 97 S N 0.770 116.488 115.700 0.030 0.000 2.715 97 S HA 0.811 5.281 4.470 0.000 0.000 0.307 97 S C -0.754 173.871 174.600 0.041 0.000 1.119 97 S CA -0.843 57.378 58.200 0.036 0.000 0.937 97 S CB 2.383 65.593 63.200 0.017 0.000 1.150 97 S HN 0.389 nan 8.310 nan 0.000 0.521 98 K N 0.701 121.140 120.400 0.066 0.000 2.542 98 K HA 0.458 4.778 4.320 0.000 0.000 0.259 98 K C -1.791 174.893 176.600 0.140 0.000 0.932 98 K CA -0.405 55.937 56.287 0.092 0.000 0.820 98 K CB 1.394 33.954 32.500 0.099 0.000 1.345 98 K HN 0.910 nan 8.250 nan 0.000 0.432 99 N N 2.292 121.054 118.700 0.103 0.000 2.404 99 N HA 0.683 5.423 4.740 0.000 0.000 0.297 99 N C -0.787 174.822 175.510 0.165 0.000 1.163 99 N CA -0.420 52.636 53.050 0.010 0.000 0.864 99 N CB 1.014 39.454 38.487 -0.078 0.000 1.247 99 N HN 0.461 nan 8.380 nan 0.000 0.510 100 F N -3.309 116.639 119.950 -0.003 0.000 2.773 100 F HA 0.616 5.143 4.527 0.000 0.000 0.314 100 F C -0.504 175.310 175.800 0.024 0.000 1.160 100 F CA -1.197 56.806 58.000 0.006 0.000 0.920 100 F CB 1.089 40.088 39.000 -0.001 0.000 1.323 100 F HN 0.474 nan 8.300 nan 0.000 0.457 101 S N 0.937 116.774 115.700 0.228 0.000 2.722 101 S HA 0.860 5.330 4.470 0.000 0.000 0.292 101 S C -1.086 173.645 174.600 0.217 0.000 1.135 101 S CA -0.598 57.684 58.200 0.138 0.000 1.003 101 S CB 1.267 64.526 63.200 0.099 0.000 1.067 101 S HN 0.887 nan 8.310 nan 0.000 0.546 102 I N 1.286 121.961 120.570 0.176 0.000 2.753 102 I HA 0.337 4.507 4.170 0.000 0.000 0.291 102 I C -1.881 174.345 176.117 0.181 0.000 1.425 102 I CA -0.308 61.107 61.300 0.192 0.000 1.039 102 I CB 1.931 40.070 38.000 0.232 0.000 1.349 102 I HN 0.665 nan 8.210 nan 0.000 0.430 103 Q N 5.682 125.557 119.800 0.126 0.000 2.310 103 Q HA 0.582 4.922 4.340 0.000 0.000 0.270 103 Q C -1.497 174.547 176.000 0.073 0.000 1.025 103 Q CA -0.730 55.127 55.803 0.090 0.000 0.772 103 Q CB 3.025 31.790 28.738 0.046 0.000 1.253 103 Q HN 0.467 nan 8.270 nan 0.000 0.450 104 V N 2.596 122.558 119.914 0.080 0.000 2.612 104 V HA 0.626 4.746 4.120 0.000 0.000 0.301 104 V C -0.247 175.850 176.094 0.006 0.000 1.046 104 V CA -0.733 61.558 62.300 -0.014 0.000 0.946 104 V CB 1.778 33.548 31.823 -0.088 0.000 1.003 104 V HN 0.683 nan 8.190 nan 0.000 0.459 105 R N 2.505 123.025 120.500 0.032 0.000 2.604 105 R HA 0.445 4.785 4.340 0.000 0.000 0.281 105 R C -1.105 175.337 176.300 0.236 0.000 1.020 105 R CA -0.781 55.380 56.100 0.102 0.000 0.899 105 R CB 1.813 32.157 30.300 0.074 0.000 1.205 105 R HN 0.685 nan 8.270 nan 0.000 0.450 106 Q N 3.423 123.361 119.800 0.231 0.000 2.402 106 Q HA 0.172 4.513 4.340 0.000 0.000 0.238 106 Q C -0.526 175.509 176.000 0.058 0.000 1.126 106 Q CA 0.081 56.018 55.803 0.223 0.000 0.904 106 Q CB 1.106 29.948 28.738 0.173 0.000 1.357 106 Q HN 0.610 nan 8.270 nan 0.000 0.491 107 V N 2.775 122.722 119.914 0.055 0.000 2.581 107 V HA 0.050 4.170 4.120 0.000 0.000 0.240 107 V C 0.811 176.857 176.094 -0.080 0.000 1.054 107 V CA 0.558 62.854 62.300 -0.006 0.000 1.076 107 V CB -0.314 31.527 31.823 0.030 0.000 0.748 107 V HN 0.751 nan 8.190 nan 0.000 0.474 108 E N 1.231 121.366 120.200 -0.109 0.000 2.415 108 E HA -0.032 4.318 4.350 0.000 0.000 0.262 108 E C -0.530 175.936 176.600 -0.223 0.000 1.038 108 E CA -0.236 56.079 56.400 -0.143 0.000 0.921 108 E CB 0.376 29.980 29.700 -0.159 0.000 0.950 108 E HN 0.395 nan 8.360 nan 0.000 0.438 109 D N 2.072 122.385 120.400 -0.146 0.000 2.362 109 D HA 0.015 4.655 4.640 0.000 0.000 0.242 109 D C -0.518 175.738 176.300 -0.073 0.000 1.132 109 D CA 0.295 54.227 54.000 -0.113 0.000 0.907 109 D CB 0.354 41.152 40.800 -0.003 0.000 1.195 109 D HN 0.332 nan 8.370 nan 0.000 0.429 110 Y N 0.982 121.378 120.300 0.160 0.000 2.346 110 Y HA 0.181 4.731 4.550 0.000 0.000 0.330 110 Y C -1.536 174.445 175.900 0.134 0.000 1.178 110 Y CA -2.348 55.799 58.100 0.078 0.000 1.331 110 Y CB 0.053 38.476 38.460 -0.062 0.000 1.253 110 Y HN 0.059 nan 8.280 nan 0.000 0.529 111 P HA 0.141 nan 4.420 nan 0.000 0.276 111 P C -1.035 176.362 177.300 0.163 0.000 1.253 111 P CA 0.101 63.292 63.100 0.152 0.000 0.766 111 P CB 1.031 32.790 31.700 0.097 0.000 0.845 112 V N 4.030 124.041 119.914 0.162 0.000 2.577 112 V HA 0.279 4.399 4.120 0.000 0.000 0.303 112 V C -0.159 176.029 176.094 0.156 0.000 1.042 112 V CA -0.575 61.826 62.300 0.169 0.000 0.872 112 V CB 2.215 34.151 31.823 0.188 0.000 0.998 112 V HN 0.443 nan 8.190 nan 0.000 0.423 113 D N 4.539 125.087 120.400 0.247 0.000 2.177 113 D HA 0.586 5.226 4.640 0.000 0.000 0.247 113 D C -0.522 175.942 176.300 0.273 0.000 1.063 113 D CA -0.025 54.130 54.000 0.258 0.000 0.867 113 D CB 2.588 43.659 40.800 0.451 0.000 1.168 113 D HN 0.361 nan 8.370 nan 0.000 0.445 114 I N 2.872 123.527 120.570 0.141 0.000 2.476 114 I HA 0.121 4.291 4.170 0.000 0.000 0.281 114 I C -0.986 175.234 176.117 0.170 0.000 1.040 114 I CA -0.875 60.524 61.300 0.165 0.000 1.094 114 I CB 1.193 39.216 38.000 0.038 0.000 1.219 114 I HN 0.230 nan 8.210 nan 0.000 0.450 115 Y N 6.755 127.137 120.300 0.136 0.000 2.310 115 Y HA 0.384 4.934 4.550 0.000 0.000 0.326 115 Y C -1.184 174.948 175.900 0.387 0.000 1.151 115 Y CA -0.353 57.847 58.100 0.166 0.000 1.195 115 Y CB 1.082 39.551 38.460 0.015 0.000 1.210 115 Y HN 0.419 nan 8.280 nan 0.000 0.483 116 Y N 6.563 126.724 120.300 -0.231 0.000 2.332 116 Y HA 0.465 5.015 4.550 0.000 0.000 0.326 116 Y C -1.657 174.244 175.900 0.001 0.000 0.978 116 Y CA -1.489 56.619 58.100 0.013 0.000 1.205 116 Y CB 0.645 39.202 38.460 0.162 0.000 1.131 116 Y HN 0.569 nan 8.280 nan 0.000 0.462 117 L N 7.117 128.304 121.223 -0.059 0.000 2.265 117 L HA 0.455 4.795 4.340 0.000 0.000 0.288 117 L C -0.389 176.354 176.870 -0.212 0.000 1.058 117 L CA -0.218 54.665 54.840 0.073 0.000 0.809 117 L CB 0.795 43.072 42.059 0.362 0.000 1.179 117 L HN 0.586 nan 8.230 nan 0.000 0.429 118 M N 3.267 122.785 119.600 -0.137 0.000 2.088 118 M HA 0.193 4.673 4.480 0.000 0.000 0.346 118 M C -0.442 175.569 176.300 -0.482 0.000 1.111 118 M CA -0.636 54.479 55.300 -0.309 0.000 1.017 118 M CB 1.287 33.780 32.600 -0.178 0.000 1.568 118 M HN 0.376 nan 8.290 nan 0.000 0.445 119 D N 4.716 124.668 120.400 -0.746 0.000 2.342 119 D HA 0.111 4.751 4.640 0.000 0.000 0.260 119 D C -0.270 175.715 176.300 -0.525 0.000 1.278 119 D CA 0.236 53.572 54.000 -1.106 0.000 0.910 119 D CB 0.539 40.925 40.800 -0.691 0.000 1.079 119 D HN 0.630 nan 8.370 nan 0.000 0.496 120 L N 3.412 124.383 121.223 -0.421 0.000 3.034 120 L HA 0.120 4.460 4.340 0.000 0.000 0.245 120 L C 0.929 177.710 176.870 -0.149 0.000 1.295 120 L CA -0.485 54.254 54.840 -0.168 0.000 1.068 120 L CB -0.152 41.923 42.059 0.026 0.000 1.426 120 L HN 0.275 nan 8.230 nan 0.000 0.531 121 S N -2.018 113.572 115.700 -0.183 0.000 2.614 121 S HA 0.037 4.507 4.470 0.000 0.000 0.265 121 S C 0.956 175.573 174.600 0.028 0.000 1.303 121 S CA -0.312 57.850 58.200 -0.063 0.000 1.000 121 S CB 0.839 64.011 63.200 -0.047 0.000 0.935 121 S HN 0.283 nan 8.310 nan 0.000 0.551 122 Y N 1.949 122.238 120.300 -0.017 0.000 2.333 122 Y HA -0.112 4.438 4.550 0.000 0.000 0.290 122 Y C 2.706 178.609 175.900 0.006 0.000 1.144 122 Y CA 1.779 59.883 58.100 0.007 0.000 1.228 122 Y CB -0.695 37.787 38.460 0.037 0.000 0.985 122 Y HN 0.878 nan 8.280 nan 0.000 0.542 123 S N -1.050 114.682 115.700 0.053 0.000 2.419 123 S HA -0.182 4.288 4.470 0.000 0.000 0.233 123 S C 1.704 176.260 174.600 -0.072 0.000 1.016 123 S CA 1.209 59.406 58.200 -0.005 0.000 0.974 123 S CB -0.401 62.818 63.200 0.033 0.000 0.786 123 S HN 0.358 nan 8.310 nan 0.000 0.492 124 M N 1.285 120.830 119.600 -0.091 0.000 2.618 124 M HA 0.214 4.694 4.480 0.000 0.000 0.240 124 M C 1.862 178.088 176.300 -0.124 0.000 1.123 124 M CA 0.473 55.713 55.300 -0.100 0.000 1.060 124 M CB -0.877 31.653 32.600 -0.117 0.000 1.535 124 M HN 0.478 nan 8.290 nan 0.000 0.507 125 K N 1.786 122.054 120.400 -0.219 0.000 2.020 125 K HA -0.223 4.097 4.320 0.000 0.000 0.212 125 K C 1.511 178.029 176.600 -0.137 0.000 1.050 125 K CA 2.232 58.364 56.287 -0.259 0.000 0.929 125 K CB -0.067 32.105 32.500 -0.546 0.000 0.714 125 K HN 0.414 nan 8.250 nan 0.000 0.443 126 D N -0.078 120.250 120.400 -0.120 0.000 2.269 126 D HA -0.170 4.470 4.640 0.000 0.000 0.208 126 D C 0.618 176.917 176.300 -0.002 0.000 0.963 126 D CA 0.981 54.949 54.000 -0.054 0.000 0.864 126 D CB -0.207 40.562 40.800 -0.050 0.000 0.936 126 D HN 0.307 nan 8.370 nan 0.000 0.505 127 D N 0.170 120.564 120.400 -0.009 0.000 2.339 127 D HA 0.005 4.645 4.640 0.000 0.000 0.217 127 D C 1.983 178.307 176.300 0.039 0.000 1.050 127 D CA -0.217 53.799 54.000 0.027 0.000 0.856 127 D CB 0.523 41.322 40.800 -0.003 0.000 0.922 127 D HN 0.162 nan 8.370 nan 0.000 0.518 128 L N -0.027 121.213 121.223 0.029 0.000 1.994 128 L HA -0.091 4.249 4.340 0.000 0.000 0.208 128 L C 2.118 179.022 176.870 0.058 0.000 1.071 128 L CA 1.650 56.500 54.840 0.016 0.000 0.745 128 L CB -0.703 41.358 42.059 0.004 0.000 0.892 128 L HN 0.119 nan 8.230 nan 0.000 0.431 129 W N -0.019 121.253 121.300 -0.046 0.000 2.325 129 W HA -0.266 4.394 4.660 0.000 0.000 0.299 129 W C 2.578 179.082 176.519 -0.025 0.000 1.215 129 W CA 2.226 59.549 57.345 -0.036 0.000 1.244 129 W CB -0.260 29.180 29.460 -0.033 0.000 1.140 129 W HN 0.162 nan 8.180 nan 0.000 0.523 130 S N 0.693 116.520 115.700 0.212 0.000 2.355 130 S HA -0.223 4.247 4.470 0.000 0.000 0.222 130 S C 1.862 176.417 174.600 -0.075 0.000 1.031 130 S CA 1.828 60.081 58.200 0.090 0.000 0.993 130 S CB -0.824 62.476 63.200 0.168 0.000 0.859 130 S HN 0.526 nan 8.310 nan 0.000 0.453 131 I N 0.141 120.689 120.570 -0.037 0.000 2.439 131 I HA -0.139 4.032 4.170 0.000 0.000 0.251 131 I C 2.182 178.284 176.117 -0.025 0.000 1.139 131 I CA 1.221 62.530 61.300 0.016 0.000 1.438 131 I CB -0.627 37.363 38.000 -0.017 0.000 1.085 131 I HN 0.193 nan 8.210 nan 0.000 0.427 132 Q N 1.554 121.245 119.800 -0.181 0.000 2.046 132 Q HA -0.214 4.126 4.340 0.000 0.000 0.200 132 Q C 2.084 177.850 176.000 -0.390 0.000 0.975 132 Q CA 2.169 57.802 55.803 -0.284 0.000 0.836 132 Q CB -0.348 28.197 28.738 -0.321 0.000 0.896 132 Q HN 0.619 nan 8.270 nan 0.000 0.428 133 N N 0.573 118.911 118.700 -0.603 0.000 2.084 133 N HA -0.192 4.548 4.740 0.000 0.000 0.190 133 N C 1.606 176.912 175.510 -0.340 0.000 1.030 133 N CA 0.850 53.513 53.050 -0.645 0.000 0.849 133 N CB -0.175 37.631 38.487 -1.135 0.000 1.012 133 N HN 0.155 nan 8.380 nan 0.000 0.423 134 L N 0.241 121.324 121.223 -0.233 0.000 2.017 134 L HA 0.106 4.446 4.340 0.000 0.000 0.208 134 L C 2.131 178.850 176.870 -0.252 0.000 1.073 134 L CA 2.219 56.971 54.840 -0.146 0.000 0.745 134 L CB -1.299 40.753 42.059 -0.012 0.000 0.894 134 L HN 0.282 nan 8.230 nan 0.000 0.432 135 G N -1.508 107.091 108.800 -0.335 0.000 2.459 135 G HA2 -0.323 3.637 3.960 0.000 0.000 0.217 135 G HA3 -0.323 3.637 3.960 0.000 0.000 0.217 135 G C 1.459 176.254 174.900 -0.176 0.000 1.183 135 G CA 1.469 46.250 45.100 -0.531 0.000 0.776 135 G HN 0.529 nan 8.290 nan 0.000 0.552 136 T N -1.072 113.382 114.554 -0.167 0.000 2.995 136 T HA 0.090 4.440 4.350 0.000 0.000 0.269 136 T C 2.123 176.764 174.700 -0.098 0.000 1.091 136 T CA 1.143 63.187 62.100 -0.093 0.000 1.128 136 T CB 0.019 68.796 68.868 -0.152 0.000 0.891 136 T HN 0.130 nan 8.240 nan 0.000 0.492 137 K N 1.059 121.377 120.400 -0.136 0.000 2.098 137 K HA 0.267 4.587 4.320 0.000 0.000 0.203 137 K C 2.336 178.866 176.600 -0.116 0.000 1.051 137 K CA 0.431 56.651 56.287 -0.111 0.000 0.957 137 K CB -0.629 31.808 32.500 -0.104 0.000 0.738 137 K HN 0.361 nan 8.250 nan 0.000 0.447 138 L N 0.958 122.088 121.223 -0.153 0.000 1.990 138 L HA -0.247 4.093 4.340 0.000 0.000 0.213 138 L C 2.608 179.368 176.870 -0.183 0.000 1.072 138 L CA 1.559 56.296 54.840 -0.171 0.000 0.755 138 L CB -0.663 41.248 42.059 -0.248 0.000 0.889 138 L HN 0.145 nan 8.230 nan 0.000 0.432 139 A N -0.724 121.979 122.820 -0.195 0.000 1.883 139 A HA -0.226 4.094 4.320 0.000 0.000 0.217 139 A C 2.333 179.832 177.584 -0.141 0.000 1.186 139 A CA 2.536 54.437 52.037 -0.227 0.000 0.624 139 A CB -0.975 17.941 19.000 -0.140 0.000 0.822 139 A HN 0.423 nan 8.150 nan 0.000 0.444 140 T N -0.263 114.234 114.554 -0.094 0.000 2.732 140 T HA -0.108 4.242 4.350 0.000 0.000 0.261 140 T C 2.128 176.779 174.700 -0.082 0.000 1.040 140 T CA 1.504 63.560 62.100 -0.074 0.000 1.145 140 T CB -0.235 68.600 68.868 -0.056 0.000 0.866 140 T HN 0.444 nan 8.240 nan 0.000 0.427 141 Q N 0.507 120.256 119.800 -0.086 0.000 2.119 141 Q HA 0.128 4.468 4.340 0.000 0.000 0.201 141 Q C 2.312 178.246 176.000 -0.110 0.000 0.972 141 Q CA 0.905 56.657 55.803 -0.084 0.000 0.847 141 Q CB -0.442 28.253 28.738 -0.072 0.000 0.903 141 Q HN 0.414 nan 8.270 nan 0.000 0.433 142 M N 0.297 119.820 119.600 -0.129 0.000 2.229 142 M HA -0.091 4.389 4.480 0.000 0.000 0.264 142 M C 2.034 178.236 176.300 -0.163 0.000 1.063 142 M CA 1.113 56.315 55.300 -0.162 0.000 1.114 142 M CB -0.759 31.750 32.600 -0.152 0.000 1.387 142 M HN 0.074 nan 8.290 nan 0.000 0.420 143 R N 1.054 121.476 120.500 -0.130 0.000 2.081 143 R HA -0.092 4.248 4.340 0.000 0.000 0.235 143 R C 1.938 178.178 176.300 -0.099 0.000 1.131 143 R CA 1.712 57.748 56.100 -0.107 0.000 0.960 143 R CB -0.334 29.914 30.300 -0.087 0.000 0.856 143 R HN 0.281 nan 8.270 nan 0.000 0.436 144 K N -0.367 119.976 120.400 -0.094 0.000 2.103 144 K HA -0.139 4.181 4.320 0.000 0.000 0.207 144 K C 1.849 178.385 176.600 -0.108 0.000 1.048 144 K CA 1.476 57.713 56.287 -0.083 0.000 0.930 144 K CB -0.283 32.176 32.500 -0.068 0.000 0.716 144 K HN 0.097 nan 8.250 nan 0.000 0.444 145 L N 0.200 121.326 121.223 -0.162 0.000 2.109 145 L HA -0.012 4.328 4.340 0.000 0.000 0.207 145 L C 0.541 177.227 176.870 -0.307 0.000 1.086 145 L CA 1.445 56.135 54.840 -0.250 0.000 0.760 145 L CB 0.303 42.144 42.059 -0.363 0.000 0.910 145 L HN 0.005 nan 8.230 nan 0.000 0.437 146 T N -2.357 112.044 114.554 -0.256 0.000 3.109 146 T HA 0.240 4.590 4.350 0.000 0.000 0.311 146 T C 0.869 175.519 174.700 -0.084 0.000 1.011 146 T CA 0.036 62.041 62.100 -0.157 0.000 1.026 146 T CB 1.026 69.801 68.868 -0.156 0.000 1.047 146 T HN 0.282 nan 8.240 nan 0.000 0.448 147 S N 3.855 119.525 115.700 -0.051 0.000 2.453 147 S HA 0.006 4.476 4.470 0.000 0.000 0.231 147 S C 1.012 175.597 174.600 -0.023 0.000 1.005 147 S CA 0.415 58.591 58.200 -0.039 0.000 0.949 147 S CB -0.167 63.013 63.200 -0.033 0.000 0.774 147 S HN 0.719 nan 8.310 nan 0.000 0.510 148 N N 1.841 120.538 118.700 -0.004 0.000 2.575 148 N HA 0.259 4.999 4.740 0.000 0.000 0.275 148 N C -0.489 175.038 175.510 0.028 0.000 1.202 148 N CA -0.129 52.930 53.050 0.016 0.000 0.945 148 N CB 0.336 38.842 38.487 0.033 0.000 1.247 148 N HN 0.408 nan 8.380 nan 0.000 0.510 149 L N 0.793 122.013 121.223 -0.005 0.000 2.395 149 L HA 0.319 4.659 4.340 0.000 0.000 0.269 149 L C -0.005 176.852 176.870 -0.021 0.000 1.133 149 L CA -0.014 54.816 54.840 -0.017 0.000 0.812 149 L CB 0.617 42.634 42.059 -0.070 0.000 1.125 149 L HN 0.001 nan 8.230 nan 0.000 0.452 150 R N 5.118 125.609 120.500 -0.015 0.000 2.686 150 R HA 0.645 4.985 4.340 0.000 0.000 0.283 150 R C -1.464 174.787 176.300 -0.081 0.000 0.978 150 R CA -0.818 55.259 56.100 -0.038 0.000 0.897 150 R CB 2.160 32.458 30.300 -0.002 0.000 1.192 150 R HN 0.740 nan 8.270 nan 0.000 0.457 151 I N 0.718 121.198 120.570 -0.151 0.000 2.686 151 I HA 0.704 4.874 4.170 0.000 0.000 0.295 151 I C -0.805 175.232 176.117 -0.134 0.000 1.114 151 I CA -0.348 60.783 61.300 -0.282 0.000 1.038 151 I CB 2.359 39.945 38.000 -0.690 0.000 1.238 151 I HN 0.770 nan 8.210 nan 0.000 0.420 152 G N 5.012 113.853 108.800 0.068 0.000 2.682 152 G HA2 0.721 4.681 3.960 0.000 0.000 0.290 152 G HA3 0.721 4.681 3.960 0.000 0.000 0.290 152 G C -1.824 173.354 174.900 0.463 0.000 1.425 152 G CA -0.592 44.757 45.100 0.414 0.000 0.807 152 G HN 0.727 nan 8.290 nan 0.000 0.482 153 F N -1.683 118.313 119.950 0.077 0.000 2.713 153 F HA 0.884 5.411 4.527 0.000 0.000 0.311 153 F C -0.161 175.533 175.800 -0.178 0.000 1.141 153 F CA -0.602 57.224 58.000 -0.289 0.000 0.939 153 F CB 1.617 40.676 39.000 0.098 0.000 1.325 153 F HN 1.046 nan 8.300 nan 0.000 0.453 154 G N 0.134 108.823 108.800 -0.184 0.000 2.695 154 G HA2 0.828 4.788 3.960 0.000 0.000 0.290 154 G HA3 0.828 4.788 3.960 0.000 0.000 0.290 154 G C -2.289 172.790 174.900 0.299 0.000 1.410 154 G CA -0.589 44.569 45.100 0.098 0.000 0.844 154 G HN 1.264 nan 8.290 nan 0.000 0.478 155 A N -0.615 122.401 122.820 0.327 0.000 2.423 155 A HA 0.982 5.302 4.320 0.000 0.000 0.304 155 A C -1.081 176.944 177.584 0.734 0.000 1.104 155 A CA -0.757 51.522 52.037 0.403 0.000 0.757 155 A CB 1.404 20.591 19.000 0.312 0.000 1.313 155 A HN 1.902 nan 8.150 nan 0.000 0.423 156 F N -0.633 119.625 119.950 0.514 0.000 2.645 156 F HA 0.766 5.293 4.527 0.000 0.000 0.310 156 F C -0.519 175.341 175.800 0.099 0.000 1.102 156 F CA -0.773 57.504 58.000 0.462 0.000 0.952 156 F CB 0.846 40.087 39.000 0.401 0.000 1.326 156 F HN 0.351 nan 8.300 nan 0.000 0.456 157 V N -0.691 119.258 119.914 0.057 0.000 4.213 157 V HA 0.456 4.576 4.120 0.000 0.000 0.179 157 V C -0.949 175.265 176.094 0.200 0.000 1.148 157 V CA 0.482 62.717 62.300 -0.107 0.000 1.346 157 V CB 0.551 32.102 31.823 -0.452 0.000 1.703 157 V HN 0.884 nan 8.190 nan 0.000 0.525 158 D N -1.191 119.297 120.400 0.146 0.000 2.725 158 D HA 0.257 4.897 4.640 0.000 0.000 0.292 158 D C -1.462 174.941 176.300 0.172 0.000 1.288 158 D CA -0.626 53.489 54.000 0.192 0.000 0.784 158 D CB 1.612 42.477 40.800 0.108 0.000 1.308 158 D HN 0.098 nan 8.370 nan 0.000 0.429 159 K N 1.821 122.305 120.400 0.140 0.000 2.419 159 K HA 0.168 4.488 4.320 0.000 0.000 0.282 159 K C -1.916 174.806 176.600 0.204 0.000 1.056 159 K CA -0.876 55.495 56.287 0.141 0.000 1.035 159 K CB 0.334 32.869 32.500 0.059 0.000 0.921 159 K HN 0.107 nan 8.250 nan 0.000 0.472 160 P HA 0.005 nan 4.420 nan 0.000 0.241 160 P C -0.809 176.562 177.300 0.119 0.000 1.760 160 P CA 0.120 63.308 63.100 0.146 0.000 1.081 160 P CB 0.209 31.997 31.700 0.148 0.000 1.975 161 V N 1.209 121.206 119.914 0.140 0.000 3.048 161 V HA 0.373 4.493 4.120 0.000 0.000 0.303 161 V C -0.394 175.690 176.094 -0.016 0.000 1.214 161 V CA -0.787 61.550 62.300 0.061 0.000 0.984 161 V CB 2.401 34.256 31.823 0.052 0.000 1.054 161 V HN 0.261 nan 8.190 nan 0.000 0.430 162 S N 5.898 121.554 115.700 -0.074 0.000 2.560 162 S HA 0.335 4.805 4.470 0.000 0.000 0.284 162 S C -1.416 173.000 174.600 -0.306 0.000 1.327 162 S CA -0.038 58.073 58.200 -0.149 0.000 1.055 162 S CB 1.149 64.292 63.200 -0.095 0.000 0.868 162 S HN 0.824 nan 8.310 nan 0.000 0.506 163 P HA 0.082 nan 4.420 nan 0.000 0.255 163 P C 0.467 177.610 177.300 -0.262 0.000 1.248 163 P CA 0.475 63.393 63.100 -0.303 0.000 0.807 163 P CB -0.101 31.444 31.700 -0.257 0.000 1.150 164 Y N -0.288 119.974 120.300 -0.063 0.000 2.181 164 Y HA -0.026 4.524 4.550 0.000 0.000 0.288 164 Y C 1.917 177.728 175.900 -0.148 0.000 1.146 164 Y CA 0.175 58.240 58.100 -0.058 0.000 1.164 164 Y CB -0.431 38.045 38.460 0.028 0.000 0.982 164 Y HN -0.060 nan 8.280 nan 0.000 0.515 165 M N 0.417 120.030 119.600 0.021 0.000 2.188 165 M HA 0.212 4.692 4.480 0.000 0.000 0.357 165 M C -1.383 174.860 176.300 -0.096 0.000 1.204 165 M CA -0.642 54.650 55.300 -0.014 0.000 1.095 165 M CB 0.587 33.226 32.600 0.065 0.000 1.604 165 M HN 0.065 nan 8.290 nan 0.000 0.464 166 Y N 5.435 125.765 120.300 0.051 0.000 2.569 166 Y HA 0.076 4.626 4.550 0.000 0.000 0.332 166 Y C 1.125 177.039 175.900 0.023 0.000 1.120 166 Y CA 0.006 58.125 58.100 0.032 0.000 1.416 166 Y CB 0.042 38.519 38.460 0.029 0.000 1.210 166 Y HN 0.646 nan 8.280 nan 0.000 0.528 167 I N -0.274 120.383 120.570 0.145 0.000 3.974 167 I HA 0.386 4.556 4.170 0.000 0.000 0.334 167 I C -0.099 176.056 176.117 0.063 0.000 1.437 167 I CA -0.152 61.195 61.300 0.078 0.000 1.113 167 I CB 0.195 38.217 38.000 0.036 0.000 1.063 167 I HN 0.394 nan 8.210 nan 0.000 0.400 168 S N 0.714 116.468 115.700 0.089 0.000 2.547 168 S HA 0.670 5.140 4.470 0.000 0.000 0.270 168 S C -2.993 171.643 174.600 0.060 0.000 1.150 168 S CA -0.867 57.364 58.200 0.051 0.000 0.850 168 S CB 1.551 64.780 63.200 0.048 0.000 1.118 168 S HN 0.056 nan 8.310 nan 0.000 0.461 169 P HA 0.368 nan 4.420 nan 0.000 0.274 169 P C -2.115 175.124 177.300 -0.101 0.000 1.260 169 P CA -1.180 61.902 63.100 -0.031 0.000 0.793 169 P CB -0.647 31.038 31.700 -0.026 0.000 1.048 170 P HA -0.177 nan 4.420 nan 0.000 0.217 170 P C 1.128 178.333 177.300 -0.158 0.000 1.148 170 P CA 1.610 64.650 63.100 -0.100 0.000 0.828 170 P CB -0.073 31.577 31.700 -0.083 0.000 0.783 171 E N -0.462 119.553 120.200 -0.309 0.000 2.268 171 E HA -0.059 4.291 4.350 0.000 0.000 0.195 171 E C 2.030 178.425 176.600 -0.343 0.000 0.995 171 E CA 1.078 57.226 56.400 -0.420 0.000 0.836 171 E CB -0.916 28.288 29.700 -0.826 0.000 0.763 171 E HN 0.184 nan 8.360 nan 0.000 0.491 172 A N 0.321 122.976 122.820 -0.275 0.000 2.172 172 A HA -0.083 4.237 4.320 0.000 0.000 0.216 172 A C 1.908 179.496 177.584 0.008 0.000 1.154 172 A CA 0.722 52.720 52.037 -0.065 0.000 0.701 172 A CB -0.421 18.589 19.000 0.016 0.000 0.789 172 A HN 0.182 nan 8.150 nan 0.000 0.465 173 L N -1.048 120.168 121.223 -0.012 0.000 2.023 173 L HA -0.085 4.255 4.340 0.000 0.000 0.205 173 L C 2.511 179.404 176.870 0.038 0.000 1.073 173 L CA 1.169 56.026 54.840 0.028 0.000 0.745 173 L CB -0.411 41.656 42.059 0.014 0.000 0.900 173 L HN 0.276 nan 8.230 nan 0.000 0.435 174 E N -0.098 120.109 120.200 0.012 0.000 2.274 174 E HA -0.115 4.235 4.350 0.000 0.000 0.194 174 E C 0.213 176.840 176.600 0.045 0.000 0.996 174 E CA 0.545 56.961 56.400 0.028 0.000 0.840 174 E CB -0.053 29.651 29.700 0.007 0.000 0.772 174 E HN 0.222 nan 8.360 nan 0.000 0.491 175 N N -0.267 118.456 118.700 0.038 0.000 2.690 175 N HA 0.135 4.875 4.740 0.000 0.000 0.255 175 N C -2.438 173.115 175.510 0.072 0.000 1.195 175 N CA -1.882 51.208 53.050 0.067 0.000 0.790 175 N CB 1.321 39.862 38.487 0.090 0.000 1.216 175 N HN -0.292 nan 8.380 nan 0.000 0.528 176 P HA -0.045 nan 4.420 nan 0.000 0.220 176 P C 0.550 177.807 177.300 -0.071 0.000 1.144 176 P CA 0.960 64.088 63.100 0.048 0.000 0.800 176 P CB 0.215 31.976 31.700 0.101 0.000 0.772 177 c N -3.264 115.299 118.600 -0.062 0.000 2.626 177 c HA 0.076 4.646 4.570 0.000 0.000 0.266 177 c C 2.275 176.317 174.090 -0.081 0.000 1.317 177 c CA -0.559 55.680 56.329 -0.151 0.000 1.716 177 c CB -2.413 40.026 42.510 -0.118 0.000 1.819 177 c HN 0.256 nan 8.230 nan 0.000 0.578 178 Y N 3.458 123.683 120.300 -0.126 0.000 2.151 178 Y HA -0.230 4.320 4.550 0.000 0.000 0.284 178 Y C 2.154 177.990 175.900 -0.106 0.000 1.166 178 Y CA 2.299 60.344 58.100 -0.091 0.000 1.163 178 Y CB -0.357 38.062 38.460 -0.068 0.000 0.974 178 Y HN 0.513 nan 8.280 nan 0.000 0.511 179 D N -0.674 119.610 120.400 -0.192 0.000 2.338 179 D HA -0.106 4.534 4.640 0.000 0.000 0.239 179 D C 1.037 177.189 176.300 -0.248 0.000 1.095 179 D CA 0.657 54.495 54.000 -0.269 0.000 0.888 179 D CB -0.379 40.323 40.800 -0.164 0.000 0.899 179 D HN 0.528 nan 8.370 nan 0.000 0.525 180 M N -0.141 119.318 119.600 -0.235 0.000 2.313 180 M HA 0.142 4.622 4.480 0.000 0.000 0.273 180 M C -0.029 176.180 176.300 -0.153 0.000 1.049 180 M CA -0.247 54.949 55.300 -0.174 0.000 1.004 180 M CB 0.366 32.868 32.600 -0.163 0.000 1.461 180 M HN -0.206 nan 8.290 nan 0.000 0.514 181 K N 1.574 121.845 120.400 -0.215 0.000 3.071 181 K HA -0.151 4.169 4.320 0.000 0.000 0.265 181 K C -0.328 176.219 176.600 -0.088 0.000 1.060 181 K CA 1.065 57.247 56.287 -0.175 0.000 0.767 181 K CB -2.449 29.966 32.500 -0.141 0.000 1.241 181 K HN 0.608 nan 8.250 nan 0.000 0.486 182 T N -3.292 111.221 114.554 -0.068 0.000 2.883 182 T HA 0.544 4.894 4.350 0.000 0.000 0.296 182 T C -0.135 174.572 174.700 0.012 0.000 1.117 182 T CA -0.857 61.236 62.100 -0.011 0.000 1.006 182 T CB 2.386 71.265 68.868 0.019 0.000 1.191 182 T HN -0.001 nan 8.240 nan 0.000 0.508 183 T N 1.182 115.762 114.554 0.042 0.000 2.855 183 T HA 0.744 5.094 4.350 0.000 0.000 0.281 183 T C 0.085 174.832 174.700 0.078 0.000 1.007 183 T CA -0.657 61.479 62.100 0.060 0.000 1.009 183 T CB 0.450 69.354 68.868 0.061 0.000 0.983 183 T HN 1.229 nan 8.240 nan 0.000 0.455 184 c N 1.419 120.069 118.600 0.084 0.000 3.340 184 c HA 0.782 5.352 4.570 0.000 0.000 0.333 184 c C -0.460 173.696 174.090 0.109 0.000 1.464 184 c CA -1.433 54.962 56.329 0.111 0.000 1.337 184 c CB -0.238 42.362 42.510 0.149 0.000 1.740 184 c HN 0.866 nan 8.230 nan 0.000 0.450 185 L N 1.877 123.180 121.223 0.134 0.000 2.464 185 L HA 0.392 4.732 4.340 0.000 0.000 0.264 185 L C -1.984 174.984 176.870 0.163 0.000 1.199 185 L CA -1.079 53.853 54.840 0.152 0.000 0.818 185 L CB 0.332 42.515 42.059 0.207 0.000 1.102 185 L HN 0.502 nan 8.230 nan 0.000 0.473 186 P HA 0.037 nan 4.420 nan 0.000 0.271 186 P C -0.419 177.027 177.300 0.242 0.000 1.218 186 P CA -0.256 62.946 63.100 0.170 0.000 0.780 186 P CB 0.519 32.307 31.700 0.147 0.000 0.901 187 M N 3.599 123.298 119.600 0.165 0.000 2.232 187 M HA 0.389 4.869 4.480 0.000 0.000 0.321 187 M C -0.789 175.641 176.300 0.216 0.000 1.101 187 M CA 0.562 55.908 55.300 0.077 0.000 1.181 187 M CB -0.131 32.509 32.600 0.067 0.000 1.432 187 M HN 0.345 nan 8.290 nan 0.000 0.457 188 F N 0.527 120.570 119.950 0.155 0.000 2.668 188 F HA 0.677 5.204 4.527 0.000 0.000 0.309 188 F C 0.141 176.083 175.800 0.236 0.000 1.117 188 F CA -0.676 57.433 58.000 0.181 0.000 0.951 188 F CB 0.401 39.501 39.000 0.167 0.000 1.323 188 F HN 0.561 nan 8.300 nan 0.000 0.451 189 G N 0.267 109.351 108.800 0.472 0.000 2.607 189 G HA2 0.106 4.066 3.960 0.000 0.000 0.215 189 G HA3 0.106 4.066 3.960 0.000 0.000 0.215 189 G C -1.179 174.132 174.900 0.686 0.000 1.275 189 G CA 1.085 46.465 45.100 0.466 0.000 0.842 189 G HN 0.810 nan 8.290 nan 0.000 0.555 190 Y N 0.279 120.907 120.300 0.548 0.000 2.421 190 Y HA 0.666 5.216 4.550 0.000 0.000 0.339 190 Y C -0.924 175.213 175.900 0.394 0.000 0.996 190 Y CA -1.693 56.713 58.100 0.509 0.000 1.046 190 Y CB 1.691 40.362 38.460 0.351 0.000 1.226 190 Y HN 0.059 nan 8.280 nan 0.000 0.445 191 K N 4.869 125.157 120.400 -0.187 0.000 2.450 191 K HA 0.230 4.550 4.320 0.000 0.000 0.257 191 K C -1.557 174.707 176.600 -0.559 0.000 0.953 191 K CA -0.905 55.122 56.287 -0.434 0.000 0.844 191 K CB 0.556 32.735 32.500 -0.536 0.000 1.103 191 K HN 0.839 nan 8.250 nan 0.000 0.429 192 H N 3.034 121.694 119.070 -0.684 0.000 2.767 192 H HA 0.148 4.704 4.556 0.000 0.000 0.316 192 H C 0.168 175.325 175.328 -0.286 0.000 1.059 192 H CA 0.057 55.905 56.048 -0.332 0.000 1.461 192 H CB 0.818 30.474 29.762 -0.176 0.000 1.475 192 H HN 0.345 nan 8.280 nan 0.000 0.531 193 V N 4.529 124.017 119.914 -0.710 0.000 2.911 193 V HA 0.157 4.277 4.120 0.000 0.000 0.237 193 V C -0.204 175.403 176.094 -0.810 0.000 1.156 193 V CA 0.052 61.867 62.300 -0.807 0.000 1.180 193 V CB 0.140 31.309 31.823 -1.089 0.000 0.932 193 V HN 0.504 nan 8.190 nan 0.000 0.483 194 L N 0.684 121.412 121.223 -0.824 0.000 2.446 194 L HA 0.551 4.891 4.340 0.000 0.000 0.268 194 L C -0.086 176.791 176.870 0.012 0.000 0.975 194 L CA 0.185 54.835 54.840 -0.317 0.000 0.848 194 L CB 1.748 43.815 42.059 0.014 0.000 1.225 194 L HN 0.090 nan 8.230 nan 0.000 0.410 195 T N 4.523 119.114 114.554 0.061 0.000 2.932 195 T HA 0.229 4.579 4.350 0.000 0.000 0.312 195 T C 0.561 175.359 174.700 0.163 0.000 1.071 195 T CA -0.241 62.014 62.100 0.258 0.000 1.128 195 T CB 0.239 69.210 68.868 0.172 0.000 0.984 195 T HN 0.425 nan 8.240 nan 0.000 0.549 196 L N 2.989 124.261 121.223 0.082 0.000 2.780 196 L HA 0.062 4.402 4.340 0.000 0.000 0.275 196 L C 1.090 177.973 176.870 0.021 0.000 1.153 196 L CA 0.289 55.138 54.840 0.015 0.000 0.993 196 L CB -0.444 41.538 42.059 -0.128 0.000 1.319 196 L HN 0.687 nan 8.230 nan 0.000 0.479 197 T N 0.377 114.954 114.554 0.038 0.000 2.930 197 T HA 0.249 4.599 4.350 0.000 0.000 0.290 197 T C 0.504 175.203 174.700 -0.001 0.000 1.052 197 T CA -0.745 61.374 62.100 0.033 0.000 1.017 197 T CB 1.447 70.357 68.868 0.070 0.000 1.137 197 T HN 0.692 nan 8.240 nan 0.000 0.511 198 D N 1.510 121.912 120.400 0.002 0.000 2.340 198 D HA 0.027 4.667 4.640 0.000 0.000 0.217 198 D C 0.115 176.412 176.300 -0.005 0.000 1.081 198 D CA -0.013 53.979 54.000 -0.013 0.000 0.842 198 D CB 0.120 40.916 40.800 -0.007 0.000 0.934 198 D HN 0.542 nan 8.370 nan 0.000 0.511 199 Q N 0.922 120.734 119.800 0.020 0.000 2.490 199 Q HA 0.236 4.576 4.340 0.000 0.000 0.226 199 Q C 0.958 176.998 176.000 0.066 0.000 1.132 199 Q CA -0.381 55.445 55.803 0.038 0.000 0.928 199 Q CB 1.941 30.710 28.738 0.051 0.000 1.299 199 Q HN -0.022 nan 8.270 nan 0.000 0.528 200 V N 1.439 121.373 119.914 0.034 0.000 2.453 200 V HA -0.238 3.882 4.120 0.000 0.000 0.247 200 V C 1.908 178.059 176.094 0.095 0.000 1.048 200 V CA 2.081 64.412 62.300 0.052 0.000 1.049 200 V CB -0.315 31.500 31.823 -0.013 0.000 0.672 200 V HN 0.752 nan 8.190 nan 0.000 0.457 201 T N 0.157 114.742 114.554 0.052 0.000 2.635 201 T HA -0.317 4.033 4.350 0.000 0.000 0.267 201 T C 2.021 176.750 174.700 0.049 0.000 1.040 201 T CA 2.279 64.402 62.100 0.037 0.000 1.156 201 T CB -0.307 68.573 68.868 0.021 0.000 0.863 201 T HN 0.477 nan 8.240 nan 0.000 0.430 202 R N -0.103 120.439 120.500 0.069 0.000 2.066 202 R HA -0.061 4.279 4.340 0.000 0.000 0.232 202 R C 2.287 178.646 176.300 0.098 0.000 1.131 202 R CA 1.369 57.511 56.100 0.071 0.000 0.955 202 R CB -0.570 29.776 30.300 0.077 0.000 0.851 202 R HN 0.419 nan 8.270 nan 0.000 0.432 203 F N 2.186 122.140 119.950 0.005 0.000 2.095 203 F HA -0.243 4.284 4.527 0.000 0.000 0.298 203 F C 1.714 177.457 175.800 -0.095 0.000 1.104 203 F CA 1.957 59.959 58.000 0.004 0.000 1.232 203 F CB -0.353 38.645 39.000 -0.004 0.000 0.987 203 F HN 0.109 nan 8.300 nan 0.000 0.475 204 N N 0.680 119.379 118.700 -0.001 0.000 2.223 204 N HA -0.161 4.579 4.740 0.000 0.000 0.185 204 N C 1.728 177.110 175.510 -0.214 0.000 1.016 204 N CA 1.602 54.561 53.050 -0.152 0.000 0.863 204 N CB -0.457 38.019 38.487 -0.019 0.000 0.983 204 N HN 0.549 nan 8.380 nan 0.000 0.429 205 E N 0.657 120.781 120.200 -0.127 0.000 2.047 205 E HA -0.106 4.244 4.350 0.000 0.000 0.191 205 E C 1.524 178.042 176.600 -0.137 0.000 0.987 205 E CA 0.737 57.074 56.400 -0.104 0.000 0.799 205 E CB 0.078 29.751 29.700 -0.046 0.000 0.752 205 E HN 0.281 nan 8.360 nan 0.000 0.449 206 E N 0.420 120.533 120.200 -0.145 0.000 2.150 206 E HA -0.116 4.234 4.350 0.000 0.000 0.193 206 E C 2.267 178.708 176.600 -0.264 0.000 0.985 206 E CA 0.551 56.899 56.400 -0.086 0.000 0.814 206 E CB -0.114 29.652 29.700 0.111 0.000 0.752 206 E HN 0.125 nan 8.360 nan 0.000 0.466 207 V N 1.415 120.927 119.914 -0.670 0.000 2.358 207 V HA -0.210 3.910 4.120 0.000 0.000 0.246 207 V C 2.157 177.999 176.094 -0.420 0.000 1.047 207 V CA 1.601 63.379 62.300 -0.869 0.000 1.035 207 V CB -0.315 30.868 31.823 -1.067 0.000 0.658 207 V HN 0.191 nan 8.190 nan 0.000 0.452 208 K N -0.291 119.926 120.400 -0.304 0.000 2.365 208 K HA -0.063 4.257 4.320 0.000 0.000 0.199 208 K C 2.100 178.632 176.600 -0.114 0.000 1.045 208 K CA 0.643 56.817 56.287 -0.188 0.000 0.962 208 K CB -0.071 32.338 32.500 -0.151 0.000 0.759 208 K HN 0.399 nan 8.250 nan 0.000 0.469 209 K N 0.587 120.926 120.400 -0.102 0.000 2.217 209 K HA -0.032 4.288 4.320 0.000 0.000 0.202 209 K C 0.413 177.000 176.600 -0.021 0.000 1.051 209 K CA 0.567 56.828 56.287 -0.045 0.000 0.952 209 K CB 0.199 32.684 32.500 -0.025 0.000 0.736 209 K HN 0.102 nan 8.250 nan 0.000 0.453 210 Q N 1.266 121.047 119.800 -0.032 0.000 2.361 210 Q HA 0.020 4.360 4.340 0.000 0.000 0.276 210 Q C 0.173 176.182 176.000 0.015 0.000 1.022 210 Q CA 0.342 56.153 55.803 0.014 0.000 0.898 210 Q CB 1.304 30.054 28.738 0.019 0.000 1.246 210 Q HN 0.166 nan 8.270 nan 0.000 0.410 211 S N -0.477 115.253 115.700 0.050 0.000 2.634 211 S HA 0.706 5.176 4.470 0.000 0.000 0.296 211 S C -0.027 174.623 174.600 0.084 0.000 1.104 211 S CA -0.840 57.393 58.200 0.055 0.000 0.920 211 S CB 1.331 64.568 63.200 0.062 0.000 1.111 211 S HN 0.418 nan 8.310 nan 0.000 0.493 212 V N -0.132 119.824 119.914 0.071 0.000 2.953 212 V HA 0.736 4.856 4.120 0.000 0.000 0.304 212 V C 0.599 176.785 176.094 0.153 0.000 1.073 212 V CA -0.340 62.010 62.300 0.083 0.000 1.064 212 V CB 0.868 32.706 31.823 0.026 0.000 1.047 212 V HN 1.007 nan 8.190 nan 0.000 0.478 213 S N 1.203 116.984 115.700 0.134 0.000 2.702 213 S HA 0.752 5.222 4.470 0.000 0.000 0.272 213 S C -0.249 174.456 174.600 0.174 0.000 1.068 213 S CA -0.873 57.406 58.200 0.132 0.000 0.964 213 S CB 1.288 64.504 63.200 0.027 0.000 1.307 213 S HN 1.050 nan 8.310 nan 0.000 0.567 214 R N 0.219 120.785 120.500 0.110 0.000 2.629 214 R HA 0.416 4.756 4.340 0.000 0.000 0.266 214 R C -1.869 174.527 176.300 0.160 0.000 1.051 214 R CA -0.391 55.794 56.100 0.142 0.000 0.895 214 R CB 1.080 31.387 30.300 0.011 0.000 1.246 214 R HN 0.985 nan 8.270 nan 0.000 0.459 215 N N 0.196 119.009 118.700 0.188 0.000 3.039 215 N HA 0.279 5.019 4.740 0.000 0.000 0.257 215 N C -0.169 175.385 175.510 0.073 0.000 1.497 215 N CA -1.050 52.073 53.050 0.121 0.000 0.861 215 N CB 1.672 40.202 38.487 0.072 0.000 1.479 215 N HN 0.525 nan 8.380 nan 0.000 0.547 216 R N -0.557 119.821 120.500 -0.203 0.000 2.066 216 R HA 0.003 4.343 4.340 0.000 0.000 0.224 216 R C -0.525 175.781 176.300 0.010 0.000 1.122 216 R CA 1.262 57.206 56.100 -0.259 0.000 0.974 216 R CB -0.313 29.672 30.300 -0.524 0.000 0.871 216 R HN 0.825 nan 8.270 nan 0.000 0.435 217 D N -0.673 119.771 120.400 0.073 0.000 2.193 217 D HA 0.176 4.816 4.640 0.000 0.000 0.249 217 D C 0.430 176.771 176.300 0.068 0.000 1.034 217 D CA -0.017 54.046 54.000 0.106 0.000 0.902 217 D CB 1.730 42.652 40.800 0.202 0.000 1.182 217 D HN 0.158 nan 8.370 nan 0.000 0.436 218 A N 2.292 125.130 122.820 0.031 0.000 1.883 218 A HA 0.028 4.348 4.320 0.000 0.000 0.217 218 A C -1.390 176.156 177.584 -0.062 0.000 1.186 218 A CA 0.769 52.808 52.037 0.003 0.000 0.624 218 A CB -1.728 17.272 19.000 0.000 0.000 0.822 218 A HN 0.583 nan 8.150 nan 0.000 0.444 219 P HA 0.233 nan 4.420 nan 0.000 0.267 219 P C -0.246 176.810 177.300 -0.408 0.000 1.205 219 P CA 0.315 63.152 63.100 -0.438 0.000 0.765 219 P CB 0.677 31.853 31.700 -0.873 0.000 0.828 220 E N 1.332 121.415 120.200 -0.196 0.000 2.281 220 E HA 0.429 4.779 4.350 0.000 0.000 0.257 220 E C 0.816 177.472 176.600 0.093 0.000 0.971 220 E CA -0.913 55.529 56.400 0.070 0.000 0.839 220 E CB 0.927 30.791 29.700 0.275 0.000 1.238 220 E HN 0.408 nan 8.360 nan 0.000 0.412 221 G N -0.072 108.892 108.800 0.273 0.000 3.882 221 G HA2 0.234 4.194 3.960 0.000 0.000 0.283 221 G HA3 0.234 4.194 3.960 0.000 0.000 0.283 221 G C 0.885 175.855 174.900 0.117 0.000 1.283 221 G CA 0.157 45.436 45.100 0.298 0.000 1.402 221 G HN 0.453 nan 8.290 nan 0.000 0.618 222 G N 0.467 109.193 108.800 -0.123 0.000 2.448 222 G HA2 -0.128 3.832 3.960 0.000 0.000 0.218 222 G HA3 -0.128 3.832 3.960 0.000 0.000 0.218 222 G C 1.293 176.141 174.900 -0.088 0.000 1.135 222 G CA 0.335 45.016 45.100 -0.697 0.000 0.784 222 G HN 0.373 nan 8.290 nan 0.000 0.543 223 F N 1.651 121.469 119.950 -0.220 0.000 2.293 223 F HA 0.062 4.589 4.527 0.000 0.000 0.300 223 F C 2.172 177.880 175.800 -0.153 0.000 1.086 223 F CA 0.100 57.975 58.000 -0.209 0.000 1.375 223 F CB -0.337 38.569 39.000 -0.157 0.000 1.045 223 F HN 0.090 nan 8.300 nan 0.000 0.516 224 D N 0.121 120.592 120.400 0.118 0.000 2.104 224 D HA -0.158 4.482 4.640 0.000 0.000 0.194 224 D C 2.413 178.524 176.300 -0.316 0.000 0.994 224 D CA 1.566 55.528 54.000 -0.064 0.000 0.830 224 D CB -0.527 40.337 40.800 0.107 0.000 0.959 224 D HN 0.188 nan 8.370 nan 0.000 0.452 225 A N 0.651 123.287 122.820 -0.306 0.000 1.902 225 A HA -0.150 4.170 4.320 0.000 0.000 0.217 225 A C 2.414 179.711 177.584 -0.478 0.000 1.181 225 A CA 0.960 52.625 52.037 -0.619 0.000 0.623 225 A CB -0.715 18.078 19.000 -0.344 0.000 0.818 225 A HN 0.218 nan 8.150 nan 0.000 0.443 226 I N -1.446 118.964 120.570 -0.268 0.000 2.179 226 I HA -0.286 3.884 4.170 0.000 0.000 0.242 226 I C 2.664 178.629 176.117 -0.253 0.000 1.088 226 I CA 2.009 63.173 61.300 -0.227 0.000 1.357 226 I CB -0.302 37.489 38.000 -0.349 0.000 1.051 226 I HN 0.423 nan 8.210 nan 0.000 0.409 227 M N 0.469 119.904 119.600 -0.275 0.000 2.117 227 M HA -0.210 4.270 4.480 0.000 0.000 0.262 227 M C 2.199 178.350 176.300 -0.248 0.000 1.065 227 M CA 1.845 57.000 55.300 -0.240 0.000 1.114 227 M CB -0.407 32.073 32.600 -0.201 0.000 1.361 227 M HN 0.087 nan 8.290 nan 0.000 0.408 228 Q N -0.294 119.300 119.800 -0.343 0.000 2.137 228 Q HA 0.118 4.458 4.340 0.000 0.000 0.198 228 Q C 2.227 178.115 176.000 -0.187 0.000 0.960 228 Q CA 1.677 57.315 55.803 -0.275 0.000 0.847 228 Q CB -0.955 27.596 28.738 -0.312 0.000 0.915 228 Q HN 0.662 nan 8.270 nan 0.000 0.448 229 A N 0.376 123.038 122.820 -0.263 0.000 2.070 229 A HA -0.125 4.195 4.320 0.000 0.000 0.220 229 A C 2.109 179.708 177.584 0.025 0.000 1.159 229 A CA 1.787 53.744 52.037 -0.134 0.000 0.656 229 A CB -0.385 18.613 19.000 -0.003 0.000 0.800 229 A HN 0.346 nan 8.150 nan 0.000 0.453 230 T N -0.866 113.643 114.554 -0.075 0.000 2.866 230 T HA -0.013 4.337 4.350 0.000 0.000 0.250 230 T C 1.981 176.599 174.700 -0.136 0.000 1.033 230 T CA 1.518 63.532 62.100 -0.143 0.000 1.145 230 T CB -0.452 68.291 68.868 -0.209 0.000 0.866 230 T HN 0.571 nan 8.240 nan 0.000 0.434 231 V N -0.448 119.390 119.914 -0.126 0.000 2.719 231 V HA 0.131 4.251 4.120 0.000 0.000 0.252 231 V C 1.260 177.306 176.094 -0.080 0.000 1.065 231 V CA 0.167 62.398 62.300 -0.115 0.000 1.086 231 V CB -1.254 30.493 31.823 -0.126 0.000 0.700 231 V HN 0.391 nan 8.190 nan 0.000 0.467 232 c N 2.824 121.387 118.600 -0.061 0.000 2.365 232 c HA 0.286 4.856 4.570 0.000 0.000 0.412 232 c C 1.544 175.620 174.090 -0.023 0.000 1.023 232 c CA -0.387 55.911 56.329 -0.052 0.000 1.287 232 c CB -1.913 40.561 42.510 -0.060 0.000 1.675 232 c HN 0.564 nan 8.230 nan 0.000 0.520 233 D N 1.083 121.487 120.400 0.006 0.000 2.078 233 D HA -0.147 4.493 4.640 0.000 0.000 0.193 233 D C 2.022 178.329 176.300 0.012 0.000 0.990 233 D CA 1.311 55.352 54.000 0.068 0.000 0.827 233 D CB -0.121 40.696 40.800 0.030 0.000 0.975 233 D HN 0.685 nan 8.370 nan 0.000 0.451 234 E N 0.210 120.401 120.200 -0.016 0.000 2.077 234 E HA -0.172 4.178 4.350 0.000 0.000 0.193 234 E C 1.838 178.403 176.600 -0.058 0.000 0.989 234 E CA 0.815 57.200 56.400 -0.025 0.000 0.800 234 E CB 0.259 29.953 29.700 -0.011 0.000 0.746 234 E HN 0.001 nan 8.360 nan 0.000 0.452 235 K N 0.619 120.967 120.400 -0.087 0.000 1.991 235 K HA -0.148 4.172 4.320 0.000 0.000 0.212 235 K C 2.115 178.545 176.600 -0.283 0.000 1.049 235 K CA 0.969 57.176 56.287 -0.134 0.000 0.932 235 K CB -0.416 31.988 32.500 -0.161 0.000 0.717 235 K HN 0.260 nan 8.250 nan 0.000 0.441 236 I N -0.140 120.157 120.570 -0.454 0.000 2.439 236 I HA -0.058 4.112 4.170 0.000 0.000 0.251 236 I C 1.173 176.978 176.117 -0.520 0.000 1.139 236 I CA 1.212 62.102 61.300 -0.683 0.000 1.438 236 I CB -1.424 35.994 38.000 -0.969 0.000 1.085 236 I HN 0.420 nan 8.210 nan 0.000 0.427 237 G N 0.945 109.538 108.800 -0.346 0.000 2.248 237 G HA2 -0.246 3.714 3.960 0.000 0.000 0.263 237 G HA3 -0.246 3.714 3.960 0.000 0.000 0.263 237 G C -0.355 174.426 174.900 -0.198 0.000 1.082 237 G CA -0.351 44.633 45.100 -0.193 0.000 0.863 237 G HN 0.303 nan 8.290 nan 0.000 0.495 238 W N -0.131 121.088 121.300 -0.135 0.000 2.193 238 W HA 0.557 5.217 4.660 -0.000 0.000 0.338 238 W C 1.247 177.733 176.519 -0.056 0.000 1.310 238 W CA -0.497 56.744 57.345 -0.174 0.000 1.243 238 W CB 0.482 29.652 29.460 -0.483 0.000 1.165 238 W HN 0.216 nan 8.180 nan 0.000 0.566 239 R N 2.405 123.094 120.500 0.316 0.000 2.404 239 R HA 0.138 4.478 4.340 0.000 0.000 0.291 239 R C 0.948 177.446 176.300 0.331 0.000 1.025 239 R CA -0.826 55.425 56.100 0.252 0.000 0.991 239 R CB 0.721 31.136 30.300 0.192 0.000 1.053 239 R HN 0.472 nan 8.270 nan 0.000 0.479 240 N N 1.333 120.147 118.700 0.189 0.000 2.013 240 N HA -0.137 4.603 4.740 0.000 0.000 0.195 240 N C -0.179 175.396 175.510 0.108 0.000 1.051 240 N CA 1.421 54.560 53.050 0.149 0.000 0.851 240 N CB -0.016 38.520 38.487 0.080 0.000 1.044 240 N HN 0.512 nan 8.380 nan 0.000 0.422 241 D N 0.841 121.283 120.400 0.069 0.000 2.619 241 D HA 0.502 5.142 4.640 0.000 0.000 0.224 241 D C -0.631 175.681 176.300 0.021 0.000 1.133 241 D CA 0.157 54.170 54.000 0.021 0.000 1.017 241 D CB -0.138 40.672 40.800 0.017 0.000 1.077 241 D HN 0.269 nan 8.370 nan 0.000 0.503 242 A N 0.207 123.013 122.820 -0.023 0.000 2.599 242 A HA 0.514 4.834 4.320 0.000 0.000 0.294 242 A C -0.555 176.867 177.584 -0.270 0.000 1.055 242 A CA -0.729 51.292 52.037 -0.026 0.000 0.683 242 A CB 1.478 20.559 19.000 0.136 0.000 1.278 242 A HN 0.063 nan 8.150 nan 0.000 0.412 243 S N 0.049 115.667 115.700 -0.137 0.000 2.499 243 S HA 0.478 4.948 4.470 0.000 0.000 0.275 243 S C -0.570 174.022 174.600 -0.013 0.000 1.257 243 S CA -0.114 57.977 58.200 -0.181 0.000 1.050 243 S CB -0.217 62.955 63.200 -0.047 0.000 0.937 243 S HN 0.590 nan 8.310 nan 0.000 0.490 244 H N 3.910 123.016 119.070 0.061 0.000 2.541 244 H HA 0.500 5.056 4.556 0.000 0.000 0.316 244 H C -0.663 174.710 175.328 0.075 0.000 1.043 244 H CA -0.713 55.393 56.048 0.096 0.000 1.232 244 H CB 0.878 30.477 29.762 -0.271 0.000 1.406 244 H HN 0.335 nan 8.280 nan 0.000 0.469 245 L N 4.211 125.671 121.223 0.395 0.000 2.376 245 L HA 0.277 4.617 4.340 0.000 0.000 0.275 245 L C -1.177 175.935 176.870 0.403 0.000 0.987 245 L CA -0.911 54.093 54.840 0.273 0.000 0.828 245 L CB 1.944 44.127 42.059 0.207 0.000 1.249 245 L HN 0.378 nan 8.230 nan 0.000 0.409 246 L N 5.285 126.683 121.223 0.291 0.000 2.295 246 L HA 0.519 4.859 4.340 0.000 0.000 0.281 246 L C -0.692 176.336 176.870 0.264 0.000 1.018 246 L CA -0.308 54.753 54.840 0.368 0.000 0.841 246 L CB 1.569 43.791 42.059 0.271 0.000 1.218 246 L HN 0.242 nan 8.230 nan 0.000 0.424 247 V N 5.871 125.990 119.914 0.341 0.000 2.383 247 V HA 0.360 4.480 4.120 0.000 0.000 0.275 247 V C -0.434 175.876 176.094 0.359 0.000 1.036 247 V CA -0.400 62.101 62.300 0.336 0.000 0.889 247 V CB 1.025 33.091 31.823 0.405 0.000 0.985 247 V HN 0.622 nan 8.190 nan 0.000 0.459 248 F N 4.935 124.978 119.950 0.155 0.000 2.449 248 F HA 0.665 5.192 4.527 0.000 0.000 0.342 248 F C 0.419 176.317 175.800 0.163 0.000 1.127 248 F CA -0.281 57.821 58.000 0.169 0.000 0.975 248 F CB 1.660 40.785 39.000 0.208 0.000 1.146 248 F HN 0.578 nan 8.300 nan 0.000 0.444 249 T N 2.184 116.484 114.554 -0.424 0.000 2.823 249 T HA 0.728 5.078 4.350 0.000 0.000 0.279 249 T C -0.422 174.004 174.700 -0.456 0.000 0.998 249 T CA -0.643 61.268 62.100 -0.315 0.000 0.994 249 T CB 1.719 70.433 68.868 -0.257 0.000 0.960 249 T HN 0.794 nan 8.240 nan 0.000 0.448 250 T N 0.588 114.995 114.554 -0.245 0.000 2.827 250 T HA 0.363 4.713 4.350 0.000 0.000 0.328 250 T C -0.994 173.679 174.700 -0.045 0.000 1.598 250 T CA -0.389 61.630 62.100 -0.135 0.000 1.043 250 T CB 1.630 70.497 68.868 -0.000 0.000 1.447 250 T HN 0.777 nan 8.240 nan 0.000 0.491 251 D N 0.886 121.285 120.400 -0.003 0.000 2.433 251 D HA 0.465 5.105 4.640 0.000 0.000 0.211 251 D C 0.473 176.817 176.300 0.075 0.000 1.114 251 D CA -0.007 54.011 54.000 0.030 0.000 0.837 251 D CB 0.469 41.273 40.800 0.008 0.000 0.984 251 D HN 0.652 nan 8.370 nan 0.000 0.505 252 A N 0.491 123.379 122.820 0.112 0.000 2.486 252 A HA 0.571 4.891 4.320 0.000 0.000 0.289 252 A C 0.053 177.758 177.584 0.203 0.000 1.176 252 A CA -0.883 51.223 52.037 0.116 0.000 0.757 252 A CB 1.630 20.665 19.000 0.059 0.000 1.337 252 A HN 0.107 nan 8.150 nan 0.000 0.423 253 K N -0.432 120.017 120.400 0.083 0.000 2.156 253 K HA 0.429 4.749 4.320 0.000 0.000 0.242 253 K C -0.373 176.182 176.600 -0.074 0.000 1.033 253 K CA 0.103 56.386 56.287 -0.006 0.000 0.878 253 K CB 0.328 32.761 32.500 -0.112 0.000 1.057 253 K HN 0.507 nan 8.250 nan 0.000 0.505 254 T N -0.198 114.203 114.554 -0.255 0.000 2.893 254 T HA 0.189 4.539 4.350 0.000 0.000 0.291 254 T C -0.887 173.410 174.700 -0.671 0.000 1.028 254 T CA -0.726 61.096 62.100 -0.463 0.000 0.995 254 T CB 0.667 69.118 68.868 -0.694 0.000 1.051 254 T HN 0.504 nan 8.240 nan 0.000 0.470 255 H N 3.297 121.972 119.070 -0.658 0.000 2.790 255 H HA 0.408 4.964 4.556 0.000 0.000 0.358 255 H C 0.500 175.324 175.328 -0.841 0.000 1.103 255 H CA 0.340 55.876 56.048 -0.854 0.000 1.426 255 H CB 0.459 29.268 29.762 -1.589 0.000 1.424 255 H HN 0.624 nan 8.280 nan 0.000 0.599 256 I N -1.253 119.094 120.570 -0.373 0.000 3.145 256 I HA 0.653 4.823 4.170 0.000 0.000 0.313 256 I C 0.004 176.152 176.117 0.052 0.000 1.122 256 I CA -1.609 59.595 61.300 -0.160 0.000 0.987 256 I CB 1.647 39.565 38.000 -0.136 0.000 1.236 256 I HN 0.470 nan 8.210 nan 0.000 0.453 257 A N 3.151 126.050 122.820 0.132 0.000 2.565 257 A HA 0.376 4.696 4.320 0.000 0.000 0.237 257 A C 0.820 178.479 177.584 0.126 0.000 1.053 257 A CA 0.418 52.552 52.037 0.162 0.000 0.755 257 A CB -0.404 18.666 19.000 0.117 0.000 0.980 257 A HN 1.112 nan 8.150 nan 0.000 0.506 258 L N 0.022 121.329 121.223 0.140 0.000 4.383 258 L HA -0.252 4.088 4.340 0.000 0.000 0.402 258 L C 0.778 177.727 176.870 0.131 0.000 0.803 258 L CA 0.952 55.858 54.840 0.109 0.000 2.175 258 L CB -1.541 40.563 42.059 0.075 0.000 1.434 258 L HN 0.721 nan 8.230 nan 0.000 0.591 259 D N 0.597 121.108 120.400 0.185 0.000 2.224 259 D HA -0.016 4.625 4.640 0.000 0.000 0.205 259 D C 1.977 178.434 176.300 0.261 0.000 0.965 259 D CA 1.425 55.544 54.000 0.198 0.000 0.852 259 D CB -0.143 40.741 40.800 0.141 0.000 0.947 259 D HN 0.535 nan 8.370 nan 0.000 0.494 260 G N 0.562 109.543 108.800 0.301 0.000 2.479 260 G HA2 -0.321 3.639 3.960 0.000 0.000 0.220 260 G HA3 -0.321 3.639 3.960 0.000 0.000 0.220 260 G C 1.614 176.578 174.900 0.107 0.000 1.115 260 G CA 0.414 45.624 45.100 0.184 0.000 0.757 260 G HN 0.236 nan 8.290 nan 0.000 0.560 261 R N -0.567 119.985 120.500 0.085 0.000 2.159 261 R HA 0.013 4.353 4.340 0.000 0.000 0.237 261 R C 2.074 178.384 176.300 0.017 0.000 1.131 261 R CA 0.673 56.797 56.100 0.040 0.000 0.982 261 R CB -0.229 30.094 30.300 0.039 0.000 0.868 261 R HN 0.356 nan 8.270 nan 0.000 0.453 262 L N -0.307 120.936 121.223 0.033 0.000 2.376 262 L HA -0.016 4.324 4.340 0.000 0.000 0.219 262 L C 1.815 178.591 176.870 -0.157 0.000 1.133 262 L CA 1.289 56.107 54.840 -0.037 0.000 0.816 262 L CB -0.012 42.045 42.059 -0.004 0.000 0.933 262 L HN 0.169 nan 8.230 nan 0.000 0.449 263 A N -1.153 121.583 122.820 -0.140 0.000 2.423 263 A HA 0.500 4.820 4.320 0.000 0.000 0.246 263 A C 1.628 179.160 177.584 -0.085 0.000 1.278 263 A CA 0.411 52.334 52.037 -0.191 0.000 0.903 263 A CB -0.459 18.457 19.000 -0.140 0.000 0.997 263 A HN 0.386 nan 8.150 nan 0.000 0.510 264 G N -0.141 108.627 108.800 -0.054 0.000 2.160 264 G HA2 -0.228 3.732 3.960 0.000 0.000 0.251 264 G HA3 -0.228 3.732 3.960 0.000 0.000 0.251 264 G C 0.014 174.898 174.900 -0.027 0.000 1.008 264 G CA 0.458 45.537 45.100 -0.036 0.000 0.724 264 G HN 0.545 nan 8.290 nan 0.000 0.514 265 I N 0.931 121.489 120.570 -0.019 0.000 2.307 265 I HA 0.362 4.532 4.170 0.000 0.000 0.289 265 I C 1.477 177.586 176.117 -0.013 0.000 1.021 265 I CA -0.419 60.864 61.300 -0.029 0.000 1.224 265 I CB 1.411 39.378 38.000 -0.055 0.000 1.376 265 I HN 0.102 nan 8.210 nan 0.000 0.470 266 V N 1.739 121.644 119.914 -0.014 0.000 3.572 266 V HA 0.138 4.258 4.120 0.000 0.000 0.260 266 V C 0.882 176.975 176.094 -0.002 0.000 1.324 266 V CA -0.052 62.247 62.300 -0.001 0.000 1.068 266 V CB -0.041 31.782 31.823 0.000 0.000 0.837 266 V HN 0.804 nan 8.190 nan 0.000 0.450 267 Q N 2.710 122.502 119.800 -0.013 0.000 2.247 267 Q HA 0.186 4.526 4.340 0.000 0.000 0.288 267 Q C -2.311 173.689 176.000 -0.000 0.000 1.079 267 Q CA -1.318 54.478 55.803 -0.011 0.000 0.932 267 Q CB 0.768 29.490 28.738 -0.026 0.000 1.133 267 Q HN 0.389 nan 8.270 nan 0.000 0.377 268 P HA -0.035 nan 4.420 nan 0.000 0.272 268 P C -0.711 176.611 177.300 0.036 0.000 1.223 268 P CA -0.272 62.845 63.100 0.027 0.000 0.784 268 P CB 0.470 32.187 31.700 0.028 0.000 0.923 269 N N 2.332 121.063 118.700 0.052 0.000 2.452 269 N HA -0.053 4.687 4.740 0.000 0.000 0.266 269 N C 0.383 175.936 175.510 0.072 0.000 1.209 269 N CA 0.061 53.157 53.050 0.076 0.000 0.929 269 N CB 0.402 38.938 38.487 0.082 0.000 1.063 269 N HN 0.357 nan 8.380 nan 0.000 0.472 270 D N 2.664 123.127 120.400 0.105 0.000 2.363 270 D HA 0.030 4.670 4.640 0.000 0.000 0.226 270 D C 1.122 177.460 176.300 0.063 0.000 1.020 270 D CA 0.483 54.539 54.000 0.095 0.000 0.892 270 D CB -0.465 40.422 40.800 0.144 0.000 0.900 270 D HN 0.686 nan 8.370 nan 0.000 0.531 271 G N 0.001 108.832 108.800 0.052 0.000 2.225 271 G HA2 -0.329 3.631 3.960 0.000 0.000 0.267 271 G HA3 -0.329 3.631 3.960 0.000 0.000 0.267 271 G C -0.072 174.800 174.900 -0.047 0.000 1.024 271 G CA 0.439 45.533 45.100 -0.009 0.000 0.784 271 G HN 0.501 nan 8.290 nan 0.000 0.507 272 Q N -1.648 118.120 119.800 -0.055 0.000 2.306 272 Q HA 0.550 4.890 4.340 0.000 0.000 0.269 272 Q C 0.189 175.957 176.000 -0.386 0.000 1.053 272 Q CA -0.755 54.925 55.803 -0.204 0.000 0.879 272 Q CB 2.196 30.807 28.738 -0.211 0.000 1.344 272 Q HN 0.403 nan 8.270 nan 0.000 0.464 273 c N 2.240 120.615 118.600 -0.375 0.000 2.464 273 c HA 0.217 4.787 4.570 0.000 0.000 0.370 273 c C -0.006 173.834 174.090 -0.417 0.000 1.267 273 c CA -0.086 56.074 56.329 -0.281 0.000 1.781 273 c CB -1.061 41.367 42.510 -0.137 0.000 2.431 273 c HN 0.720 nan 8.230 nan 0.000 0.556 274 H N 4.102 123.276 119.070 0.173 0.000 2.562 274 H HA 0.237 4.793 4.556 0.000 0.000 0.249 274 H C -0.400 175.064 175.328 0.227 0.000 1.195 274 H CA -0.055 56.110 56.048 0.196 0.000 0.938 274 H CB 0.287 30.185 29.762 0.226 0.000 1.891 274 H HN 0.452 nan 8.280 nan 0.000 0.595 275 V N 1.607 121.665 119.914 0.240 0.000 2.259 275 V HA 0.322 4.442 4.120 0.000 0.000 0.267 275 V C 1.224 177.402 176.094 0.141 0.000 1.051 275 V CA -0.468 61.955 62.300 0.206 0.000 0.830 275 V CB 0.905 32.842 31.823 0.189 0.000 1.080 275 V HN 0.527 nan 8.190 nan 0.000 0.467 276 G N 3.196 112.090 108.800 0.157 0.000 2.529 276 G HA2 0.131 4.091 3.960 0.000 0.000 0.234 276 G HA3 0.131 4.091 3.960 0.000 0.000 0.234 276 G C 1.311 176.269 174.900 0.097 0.000 1.527 276 G CA 0.475 45.647 45.100 0.120 0.000 1.062 276 G HN 0.731 nan 8.290 nan 0.000 0.558 277 S N -0.295 115.450 115.700 0.075 0.000 2.481 277 S HA -0.086 4.384 4.470 0.000 0.000 0.231 277 S C 1.379 176.002 174.600 0.040 0.000 0.996 277 S CA 1.496 59.726 58.200 0.050 0.000 0.942 277 S CB -0.047 63.172 63.200 0.032 0.000 0.768 277 S HN 0.676 nan 8.310 nan 0.000 0.520 278 D N 0.993 121.424 120.400 0.052 0.000 2.340 278 D HA 0.036 4.676 4.640 0.000 0.000 0.217 278 D C -0.045 176.273 176.300 0.031 0.000 1.081 278 D CA -0.126 53.881 54.000 0.013 0.000 0.842 278 D CB -0.708 40.065 40.800 -0.045 0.000 0.934 278 D HN 0.222 nan 8.370 nan 0.000 0.511 279 N N 0.536 119.282 118.700 0.077 0.000 2.753 279 N HA -0.222 4.518 4.740 0.000 0.000 0.251 279 N C -0.364 175.175 175.510 0.049 0.000 1.097 279 N CA 1.161 54.245 53.050 0.057 0.000 0.786 279 N CB -2.329 36.145 38.487 -0.022 0.000 1.137 279 N HN 0.805 nan 8.380 nan 0.000 0.566 280 H N -2.489 116.573 119.070 -0.014 0.000 2.499 280 H HA 0.412 4.968 4.556 0.000 0.000 0.340 280 H C -0.394 175.034 175.328 0.166 0.000 1.148 280 H CA -1.057 55.008 56.048 0.028 0.000 1.215 280 H CB 0.855 30.635 29.762 0.030 0.000 1.529 280 H HN 0.059 nan 8.280 nan 0.000 0.510 281 Y N 4.410 124.629 120.300 -0.135 0.000 2.640 281 Y HA 0.096 4.646 4.550 0.000 0.000 0.355 281 Y C 0.940 176.604 175.900 -0.393 0.000 1.088 281 Y CA -0.343 57.712 58.100 -0.075 0.000 1.443 281 Y CB 0.116 38.703 38.460 0.212 0.000 1.224 281 Y HN 0.817 nan 8.280 nan 0.000 0.516 282 S N 3.127 118.494 115.700 -0.556 0.000 2.447 282 S HA -0.078 4.392 4.470 0.000 0.000 0.233 282 S C 1.701 175.980 174.600 -0.534 0.000 1.006 282 S CA 0.584 58.430 58.200 -0.589 0.000 0.957 282 S CB -0.235 62.886 63.200 -0.133 0.000 0.773 282 S HN 0.703 nan 8.310 nan 0.000 0.507 283 A N 1.044 123.363 122.820 -0.836 0.000 2.302 283 A HA 0.426 4.746 4.320 0.000 0.000 0.219 283 A C 1.984 179.036 177.584 -0.887 0.000 1.243 283 A CA 0.530 52.093 52.037 -0.789 0.000 0.856 283 A CB -0.710 17.921 19.000 -0.615 0.000 0.893 283 A HN 0.455 nan 8.150 nan 0.000 0.491 284 S N 0.458 115.567 115.700 -0.984 0.000 2.370 284 S HA -0.158 4.312 4.470 0.000 0.000 0.226 284 S C 2.052 176.521 174.600 -0.218 0.000 1.033 284 S CA 2.400 60.324 58.200 -0.459 0.000 1.011 284 S CB -0.319 62.792 63.200 -0.150 0.000 0.852 284 S HN 0.796 nan 8.310 nan 0.000 0.457 285 T N -1.705 112.739 114.554 -0.183 0.000 3.107 285 T HA 0.141 4.491 4.350 0.000 0.000 0.249 285 T C 1.298 175.931 174.700 -0.112 0.000 1.096 285 T CA 0.949 62.991 62.100 -0.098 0.000 1.012 285 T CB 0.086 68.927 68.868 -0.046 0.000 0.977 285 T HN 0.504 nan 8.240 nan 0.000 0.527 286 T N -1.869 112.588 114.554 -0.160 0.000 3.004 286 T HA 0.484 4.834 4.350 0.000 0.000 0.266 286 T C 0.066 174.690 174.700 -0.127 0.000 0.986 286 T CA -0.599 61.421 62.100 -0.134 0.000 0.902 286 T CB 0.001 68.782 68.868 -0.145 0.000 1.118 286 T HN 0.372 nan 8.240 nan 0.000 0.522 287 M N 1.904 121.418 119.600 -0.143 0.000 2.457 287 M HA 0.507 4.987 4.480 0.000 0.000 0.300 287 M C -1.562 174.673 176.300 -0.109 0.000 1.141 287 M CA -0.730 54.515 55.300 -0.091 0.000 0.901 287 M CB 2.229 34.798 32.600 -0.053 0.000 1.687 287 M HN -0.084 nan 8.290 nan 0.000 0.449 288 D N 1.709 122.066 120.400 -0.072 0.000 2.361 288 D HA 0.118 4.758 4.640 0.000 0.000 0.239 288 D C -1.090 175.161 176.300 -0.082 0.000 1.200 288 D CA 0.501 54.443 54.000 -0.097 0.000 0.915 288 D CB 0.525 41.333 40.800 0.013 0.000 1.170 288 D HN 0.390 nan 8.370 nan 0.000 0.444 289 Y N 0.704 121.041 120.300 0.063 0.000 2.550 289 Y HA 0.171 4.721 4.550 0.000 0.000 0.343 289 Y C -1.286 174.659 175.900 0.075 0.000 1.245 289 Y CA -1.204 56.941 58.100 0.075 0.000 1.462 289 Y CB -0.234 38.258 38.460 0.053 0.000 1.340 289 Y HN 0.227 nan 8.280 nan 0.000 0.604 290 P HA 0.078 nan 4.420 nan 0.000 0.275 290 P C -0.706 176.674 177.300 0.133 0.000 1.228 290 P CA -0.491 62.685 63.100 0.127 0.000 0.786 290 P CB 1.178 32.909 31.700 0.051 0.000 0.927 291 S N 1.905 117.650 115.700 0.075 0.000 2.632 291 S HA 0.212 4.682 4.470 0.000 0.000 0.267 291 S C 1.627 176.236 174.600 0.015 0.000 1.276 291 S CA -0.735 57.502 58.200 0.061 0.000 0.998 291 S CB 0.121 63.347 63.200 0.043 0.000 0.953 291 S HN 0.351 nan 8.310 nan 0.000 0.547 292 L N 1.369 122.601 121.223 0.016 0.000 2.079 292 L HA -0.053 4.287 4.340 0.000 0.000 0.210 292 L C 2.825 179.667 176.870 -0.046 0.000 1.081 292 L CA 1.622 56.442 54.840 -0.032 0.000 0.752 292 L CB -1.352 40.716 42.059 0.015 0.000 0.896 292 L HN 0.995 nan 8.230 nan 0.000 0.433 293 G N 0.008 108.797 108.800 -0.019 0.000 2.418 293 G HA2 -0.268 3.692 3.960 0.000 0.000 0.217 293 G HA3 -0.268 3.692 3.960 0.000 0.000 0.217 293 G C 1.571 176.446 174.900 -0.042 0.000 1.158 293 G CA 0.598 45.683 45.100 -0.024 0.000 0.771 293 G HN 0.202 nan 8.290 nan 0.000 0.545 294 L N 0.370 121.570 121.223 -0.039 0.000 2.056 294 L HA 0.110 4.450 4.340 0.000 0.000 0.207 294 L C 2.902 179.720 176.870 -0.086 0.000 1.078 294 L CA 1.537 56.347 54.840 -0.049 0.000 0.749 294 L CB -0.338 41.703 42.059 -0.029 0.000 0.901 294 L HN 0.244 nan 8.230 nan 0.000 0.433 295 M N -1.693 117.835 119.600 -0.119 0.000 2.067 295 M HA -0.212 4.268 4.480 0.000 0.000 0.260 295 M C 2.093 178.296 176.300 -0.162 0.000 1.069 295 M CA 2.291 57.482 55.300 -0.182 0.000 1.117 295 M CB -0.853 31.575 32.600 -0.286 0.000 1.334 295 M HN 0.188 nan 8.290 nan 0.000 0.407 296 T N 0.094 114.571 114.554 -0.129 0.000 2.699 296 T HA -0.222 4.128 4.350 0.000 0.000 0.268 296 T C 1.692 176.334 174.700 -0.096 0.000 1.036 296 T CA 1.726 63.764 62.100 -0.103 0.000 1.147 296 T CB -0.325 68.503 68.868 -0.067 0.000 0.862 296 T HN 0.470 nan 8.240 nan 0.000 0.446 297 E N 0.376 120.525 120.200 -0.085 0.000 2.047 297 E HA -0.162 4.188 4.350 0.000 0.000 0.191 297 E C 2.113 178.656 176.600 -0.095 0.000 0.987 297 E CA 0.915 57.269 56.400 -0.077 0.000 0.799 297 E CB 0.109 29.773 29.700 -0.060 0.000 0.752 297 E HN 0.204 nan 8.360 nan 0.000 0.449 298 K N 0.505 120.837 120.400 -0.112 0.000 2.116 298 K HA -0.029 4.291 4.320 0.000 0.000 0.203 298 K C 2.345 178.846 176.600 -0.166 0.000 1.052 298 K CA 0.393 56.601 56.287 -0.131 0.000 0.952 298 K CB -0.417 32.002 32.500 -0.135 0.000 0.729 298 K HN 0.240 nan 8.250 nan 0.000 0.446 299 L N 0.876 121.993 121.223 -0.178 0.000 2.012 299 L HA -0.216 4.124 4.340 0.000 0.000 0.210 299 L C 2.688 179.454 176.870 -0.174 0.000 1.073 299 L CA 1.404 56.123 54.840 -0.202 0.000 0.748 299 L CB -0.551 41.389 42.059 -0.198 0.000 0.891 299 L HN 0.181 nan 8.230 nan 0.000 0.431 300 S N -0.786 114.833 115.700 -0.135 0.000 2.356 300 S HA -0.285 4.185 4.470 0.000 0.000 0.223 300 S C 1.998 176.534 174.600 -0.106 0.000 1.032 300 S CA 1.723 59.857 58.200 -0.109 0.000 1.005 300 S CB -0.150 62.999 63.200 -0.086 0.000 0.867 300 S HN 0.432 nan 8.310 nan 0.000 0.449 301 Q N 0.002 119.738 119.800 -0.106 0.000 2.096 301 Q HA -0.100 4.240 4.340 0.000 0.000 0.204 301 Q C 1.370 177.303 176.000 -0.112 0.000 0.982 301 Q CA 1.308 57.053 55.803 -0.096 0.000 0.850 301 Q CB -0.020 28.663 28.738 -0.091 0.000 0.901 301 Q HN 0.290 nan 8.270 nan 0.000 0.422 302 K N 0.494 120.799 120.400 -0.160 0.000 2.444 302 K HA 0.015 4.335 4.320 0.000 0.000 0.193 302 K C 0.210 176.690 176.600 -0.201 0.000 1.024 302 K CA 0.061 56.219 56.287 -0.215 0.000 1.077 302 K CB 0.056 32.359 32.500 -0.330 0.000 0.833 302 K HN 0.232 nan 8.250 nan 0.000 0.517 303 N N 1.021 119.635 118.700 -0.144 0.000 2.699 303 N HA -0.183 4.557 4.740 0.000 0.000 0.257 303 N C -1.326 174.140 175.510 -0.073 0.000 1.077 303 N CA 0.483 53.481 53.050 -0.086 0.000 0.702 303 N CB -1.368 37.096 38.487 -0.038 0.000 0.886 303 N HN 0.244 nan 8.380 nan 0.000 0.549 304 I N 0.854 121.306 120.570 -0.197 0.000 2.498 304 I HA 0.287 4.457 4.170 0.000 0.000 0.290 304 I C -0.232 175.778 176.117 -0.177 0.000 1.032 304 I CA -0.919 60.224 61.300 -0.262 0.000 1.073 304 I CB 1.662 39.349 38.000 -0.523 0.000 1.251 304 I HN -0.011 nan 8.210 nan 0.000 0.426 305 N N 5.692 124.327 118.700 -0.110 0.000 2.444 305 N HA 0.361 5.101 4.740 0.000 0.000 0.271 305 N C -0.816 174.636 175.510 -0.097 0.000 1.069 305 N CA -0.479 52.517 53.050 -0.090 0.000 0.965 305 N CB 1.687 40.147 38.487 -0.045 0.000 1.092 305 N HN 0.359 nan 8.380 nan 0.000 0.476 306 L N 3.195 124.317 121.223 -0.168 0.000 2.292 306 L HA 0.519 4.859 4.340 0.000 0.000 0.284 306 L C -0.598 176.109 176.870 -0.272 0.000 1.065 306 L CA -0.178 54.503 54.840 -0.264 0.000 0.806 306 L CB 0.439 42.223 42.059 -0.458 0.000 1.175 306 L HN 0.465 nan 8.230 nan 0.000 0.431 307 I N 5.417 125.869 120.570 -0.196 0.000 2.410 307 I HA 0.249 4.419 4.170 0.000 0.000 0.286 307 I C -1.020 175.064 176.117 -0.056 0.000 1.009 307 I CA -0.506 60.735 61.300 -0.098 0.000 1.111 307 I CB 1.169 39.197 38.000 0.047 0.000 1.262 307 I HN 0.381 nan 8.210 nan 0.000 0.443 308 F N 4.959 125.004 119.950 0.158 0.000 2.421 308 F HA 0.381 4.908 4.527 0.000 0.000 0.358 308 F C 0.865 176.745 175.800 0.132 0.000 1.115 308 F CA -0.599 57.508 58.000 0.178 0.000 1.160 308 F CB 1.057 40.150 39.000 0.154 0.000 1.123 308 F HN 0.455 nan 8.300 nan 0.000 0.508 309 A N 4.728 127.732 122.820 0.305 0.000 2.969 309 A HA 0.593 4.913 4.320 0.000 0.000 0.328 309 A C -0.368 177.280 177.584 0.107 0.000 1.355 309 A CA -0.533 51.616 52.037 0.186 0.000 1.018 309 A CB -0.533 18.577 19.000 0.183 0.000 1.159 309 A HN 0.601 nan 8.150 nan 0.000 0.505 310 V N -0.025 119.935 119.914 0.076 0.000 2.834 310 V HA 0.810 4.930 4.120 0.000 0.000 0.313 310 V C 0.488 176.610 176.094 0.047 0.000 1.060 310 V CA -0.133 62.161 62.300 -0.009 0.000 0.989 310 V CB 0.908 32.640 31.823 -0.152 0.000 1.041 310 V HN 0.737 nan 8.190 nan 0.000 0.459 311 T N 0.352 114.932 114.554 0.042 0.000 2.802 311 T HA 0.208 4.558 4.350 0.000 0.000 0.305 311 T C 1.010 175.752 174.700 0.071 0.000 1.053 311 T CA 0.558 62.691 62.100 0.055 0.000 1.058 311 T CB 0.759 69.654 68.868 0.045 0.000 0.988 311 T HN 1.116 nan 8.240 nan 0.000 0.539 312 E N 1.877 122.114 120.200 0.063 0.000 2.097 312 E HA -0.336 4.014 4.350 0.000 0.000 0.196 312 E C 1.767 178.405 176.600 0.063 0.000 1.000 312 E CA 1.949 58.386 56.400 0.062 0.000 0.804 312 E CB -0.658 29.071 29.700 0.049 0.000 0.740 312 E HN 0.774 nan 8.360 nan 0.000 0.454 313 N N 1.363 120.097 118.700 0.057 0.000 2.348 313 N HA -0.151 4.589 4.740 0.000 0.000 0.185 313 N C 1.441 176.990 175.510 0.065 0.000 1.019 313 N CA 1.997 55.077 53.050 0.050 0.000 0.880 313 N CB -0.062 38.450 38.487 0.042 0.000 0.965 313 N HN 0.442 nan 8.380 nan 0.000 0.437 314 V N -4.038 115.941 119.914 0.108 0.000 3.253 314 V HA 0.286 4.406 4.120 0.000 0.000 0.320 314 V C 1.794 178.026 176.094 0.230 0.000 1.442 314 V CA -0.418 61.981 62.300 0.165 0.000 1.097 314 V CB -0.075 31.919 31.823 0.284 0.000 1.008 314 V HN -0.085 nan 8.190 nan 0.000 0.463 315 V N 2.084 122.093 119.914 0.157 0.000 2.287 315 V HA -0.299 3.821 4.120 0.000 0.000 0.248 315 V C 2.462 178.628 176.094 0.120 0.000 1.053 315 V CA 3.175 65.570 62.300 0.157 0.000 1.027 315 V CB -1.047 30.842 31.823 0.110 0.000 0.646 315 V HN 0.719 nan 8.190 nan 0.000 0.447 316 N N -0.214 118.518 118.700 0.054 0.000 2.244 316 N HA -0.160 4.580 4.740 0.000 0.000 0.183 316 N C 1.684 177.144 175.510 -0.084 0.000 1.016 316 N CA 1.020 54.068 53.050 -0.004 0.000 0.866 316 N CB -0.182 38.294 38.487 -0.019 0.000 0.980 316 N HN 0.364 nan 8.380 nan 0.000 0.430 317 L N 0.132 121.279 121.223 -0.126 0.000 1.976 317 L HA -0.145 4.195 4.340 0.000 0.000 0.209 317 L C 1.445 178.026 176.870 -0.481 0.000 1.071 317 L CA 1.734 56.350 54.840 -0.373 0.000 0.746 317 L CB -0.734 41.084 42.059 -0.401 0.000 0.890 317 L HN 0.165 nan 8.230 nan 0.000 0.432 318 Y N -0.378 119.836 120.300 -0.142 0.000 2.373 318 Y HA -0.136 4.414 4.550 0.000 0.000 0.293 318 Y C 2.687 178.588 175.900 0.001 0.000 1.129 318 Y CA 1.231 59.249 58.100 -0.138 0.000 1.226 318 Y CB -0.387 37.911 38.460 -0.270 0.000 1.000 318 Y HN 0.353 nan 8.280 nan 0.000 0.549 319 Q N 0.072 119.957 119.800 0.143 0.000 2.030 319 Q HA -0.223 4.117 4.340 0.000 0.000 0.204 319 Q C 1.851 177.891 176.000 0.068 0.000 0.986 319 Q CA 1.643 57.522 55.803 0.127 0.000 0.843 319 Q CB -0.196 28.590 28.738 0.080 0.000 0.904 319 Q HN 0.469 nan 8.270 nan 0.000 0.420 320 N N -0.333 118.333 118.700 -0.057 0.000 2.120 320 N HA -0.162 4.578 4.740 0.000 0.000 0.188 320 N C 1.546 177.034 175.510 -0.036 0.000 1.024 320 N CA 1.217 54.205 53.050 -0.104 0.000 0.852 320 N CB -0.413 37.930 38.487 -0.239 0.000 1.003 320 N HN 0.293 nan 8.380 nan 0.000 0.424 321 Y N 1.080 121.368 120.300 -0.020 0.000 2.224 321 Y HA -0.078 4.472 4.550 0.000 0.000 0.289 321 Y C 2.768 178.756 175.900 0.146 0.000 1.146 321 Y CA 0.610 58.726 58.100 0.027 0.000 1.182 321 Y CB -0.992 37.441 38.460 -0.046 0.000 0.983 321 Y HN 0.037 nan 8.280 nan 0.000 0.524 322 S N -0.085 115.846 115.700 0.384 0.000 2.383 322 S HA -0.218 4.252 4.470 0.000 0.000 0.229 322 S C 1.787 176.502 174.600 0.192 0.000 1.030 322 S CA 1.603 60.018 58.200 0.359 0.000 1.002 322 S CB -0.245 63.168 63.200 0.355 0.000 0.829 322 S HN 0.592 nan 8.310 nan 0.000 0.467 323 E N 0.091 120.377 120.200 0.143 0.000 2.347 323 E HA 0.010 4.360 4.350 0.000 0.000 0.196 323 E C 1.524 178.172 176.600 0.080 0.000 1.008 323 E CA 0.659 57.111 56.400 0.088 0.000 0.852 323 E CB -0.072 29.664 29.700 0.059 0.000 0.783 323 E HN 0.521 nan 8.360 nan 0.000 0.505 324 L N 0.466 121.756 121.223 0.110 0.000 2.607 324 L HA 0.193 4.533 4.340 0.000 0.000 0.228 324 L C 0.670 177.581 176.870 0.069 0.000 1.123 324 L CA 0.117 55.012 54.840 0.091 0.000 0.890 324 L CB 0.424 42.557 42.059 0.123 0.000 1.103 324 L HN 0.032 nan 8.230 nan 0.000 0.468 325 I N 0.751 121.367 120.570 0.076 0.000 2.750 325 I HA 0.265 4.435 4.170 0.000 0.000 0.279 325 I C -2.359 173.764 176.117 0.011 0.000 1.206 325 I CA -1.813 59.502 61.300 0.025 0.000 1.101 325 I CB 0.864 38.870 38.000 0.010 0.000 1.431 325 I HN -0.212 nan 8.210 nan 0.000 0.551 326 P HA 0.027 nan 4.420 nan 0.000 0.263 326 P C 1.096 178.385 177.300 -0.018 0.000 1.175 326 P CA 0.999 64.099 63.100 0.000 0.000 0.761 326 P CB 0.642 32.337 31.700 -0.008 0.000 0.794 327 G N 1.319 110.112 108.800 -0.011 0.000 2.217 327 G HA2 -0.217 3.743 3.960 0.000 0.000 0.246 327 G HA3 -0.217 3.743 3.960 0.000 0.000 0.246 327 G C 0.392 175.272 174.900 -0.033 0.000 0.990 327 G CA 0.109 45.194 45.100 -0.025 0.000 0.627 327 G HN 0.616 nan 8.290 nan 0.000 0.522 328 T N 1.976 116.512 114.554 -0.029 0.000 2.898 328 T HA 0.549 4.899 4.350 0.000 0.000 0.301 328 T C 0.705 175.415 174.700 0.016 0.000 1.049 328 T CA 0.978 63.047 62.100 -0.052 0.000 1.095 328 T CB 1.322 70.160 68.868 -0.051 0.000 0.976 328 T HN 0.915 nan 8.240 nan 0.000 0.539 329 T N -1.184 113.376 114.554 0.010 0.000 2.887 329 T HA 0.754 5.104 4.350 0.000 0.000 0.292 329 T C -0.945 173.845 174.700 0.151 0.000 1.087 329 T CA -0.835 61.313 62.100 0.079 0.000 1.009 329 T CB 1.423 70.324 68.868 0.055 0.000 1.203 329 T HN 0.334 nan 8.240 nan 0.000 0.518 330 V N 0.364 120.391 119.914 0.189 0.000 2.623 330 V HA 0.796 4.916 4.120 0.000 0.000 0.304 330 V C 0.430 176.630 176.094 0.177 0.000 1.054 330 V CA -0.514 61.939 62.300 0.256 0.000 0.882 330 V CB 1.610 33.621 31.823 0.313 0.000 1.002 330 V HN 1.355 nan 8.190 nan 0.000 0.424 331 G N 2.380 111.283 108.800 0.171 0.000 2.644 331 G HA2 0.682 4.642 3.960 0.000 0.000 0.307 331 G HA3 0.682 4.642 3.960 0.000 0.000 0.307 331 G C -1.269 173.706 174.900 0.126 0.000 1.250 331 G CA -0.743 44.434 45.100 0.128 0.000 0.996 331 G HN 0.530 nan 8.290 nan 0.000 0.489 332 V N 0.959 120.933 119.914 0.100 0.000 2.370 332 V HA 0.288 4.408 4.120 0.000 0.000 0.279 332 V C -0.045 176.099 176.094 0.083 0.000 1.029 332 V CA -0.637 61.716 62.300 0.089 0.000 0.870 332 V CB 1.115 32.984 31.823 0.076 0.000 0.984 332 V HN 0.615 nan 8.190 nan 0.000 0.451 333 L N 6.569 127.840 121.223 0.081 0.000 2.360 333 L HA 0.644 4.984 4.340 0.000 0.000 0.276 333 L C 0.352 177.266 176.870 0.073 0.000 1.121 333 L CA 1.177 56.062 54.840 0.075 0.000 0.845 333 L CB 0.763 42.858 42.059 0.061 0.000 1.143 333 L HN 0.977 nan 8.230 nan 0.000 0.452 334 S N 3.453 119.202 115.700 0.082 0.000 2.703 334 S HA 0.334 4.804 4.470 0.000 0.000 0.273 334 S C 0.591 175.277 174.600 0.143 0.000 1.178 334 S CA -0.646 57.612 58.200 0.097 0.000 0.838 334 S CB 0.502 63.750 63.200 0.081 0.000 1.178 334 S HN 0.567 nan 8.310 nan 0.000 0.494 335 M N 1.293 121.002 119.600 0.182 0.000 2.358 335 M HA 0.047 4.527 4.480 0.000 0.000 0.264 335 M C 0.416 176.874 176.300 0.263 0.000 1.064 335 M CA 1.321 56.813 55.300 0.319 0.000 1.093 335 M CB -0.246 32.479 32.600 0.209 0.000 1.401 335 M HN 0.616 nan 8.290 nan 0.000 0.440 336 D N -0.030 120.458 120.400 0.147 0.000 2.233 336 D HA 0.135 4.775 4.640 0.000 0.000 0.240 336 D C 0.090 176.434 176.300 0.073 0.000 1.074 336 D CA 0.008 54.070 54.000 0.103 0.000 0.838 336 D CB 1.271 42.117 40.800 0.076 0.000 1.124 336 D HN 0.097 nan 8.370 nan 0.000 0.475 337 S N 1.561 117.290 115.700 0.049 0.000 2.614 337 S HA 0.051 4.521 4.470 0.000 0.000 0.230 337 S C 1.360 175.974 174.600 0.023 0.000 0.952 337 S CA -0.308 57.907 58.200 0.025 0.000 0.949 337 S CB 0.314 63.506 63.200 -0.015 0.000 0.786 337 S HN 0.279 nan 8.310 nan 0.000 0.478 338 S N 3.199 118.918 115.700 0.031 0.000 2.345 338 S HA -0.124 4.346 4.470 0.000 0.000 0.220 338 S C 1.970 176.590 174.600 0.033 0.000 1.031 338 S CA 1.191 59.408 58.200 0.028 0.000 0.996 338 S CB -0.664 62.554 63.200 0.030 0.000 0.882 338 S HN 0.679 nan 8.310 nan 0.000 0.445 339 N N 1.679 120.404 118.700 0.043 0.000 2.037 339 N HA -0.135 4.605 4.740 0.000 0.000 0.196 339 N C 1.674 177.217 175.510 0.054 0.000 1.034 339 N CA 1.800 54.880 53.050 0.050 0.000 0.861 339 N CB -0.604 37.919 38.487 0.059 0.000 1.039 339 N HN 0.263 nan 8.380 nan 0.000 0.427 340 V N 0.985 120.933 119.914 0.056 0.000 2.427 340 V HA -0.161 3.959 4.120 0.000 0.000 0.248 340 V C 2.474 178.594 176.094 0.044 0.000 1.051 340 V CA 0.882 63.219 62.300 0.063 0.000 1.048 340 V CB -0.450 31.417 31.823 0.073 0.000 0.666 340 V HN 0.181 nan 8.190 nan 0.000 0.456 341 L N -0.291 120.947 121.223 0.025 0.000 2.046 341 L HA -0.165 4.175 4.340 0.000 0.000 0.208 341 L C 2.602 179.485 176.870 0.020 0.000 1.077 341 L CA 1.769 56.614 54.840 0.009 0.000 0.747 341 L CB -0.873 41.182 42.059 -0.006 0.000 0.896 341 L HN 0.282 nan 8.230 nan 0.000 0.432 342 Q N -0.608 119.209 119.800 0.030 0.000 2.096 342 Q HA -0.174 4.166 4.340 0.000 0.000 0.204 342 Q C 2.387 178.414 176.000 0.045 0.000 0.982 342 Q CA 1.484 57.308 55.803 0.036 0.000 0.850 342 Q CB -0.437 28.324 28.738 0.037 0.000 0.901 342 Q HN 0.491 nan 8.270 nan 0.000 0.422 343 L N 0.172 121.425 121.223 0.050 0.000 2.043 343 L HA -0.222 4.119 4.340 0.000 0.000 0.212 343 L C 2.257 179.163 176.870 0.059 0.000 1.075 343 L CA 0.864 55.738 54.840 0.056 0.000 0.752 343 L CB -0.532 41.565 42.059 0.063 0.000 0.891 343 L HN 0.227 nan 8.230 nan 0.000 0.432 344 I N -1.114 119.489 120.570 0.056 0.000 2.333 344 I HA -0.162 4.008 4.170 0.000 0.000 0.246 344 I C 2.617 178.785 176.117 0.086 0.000 1.106 344 I CA 0.975 62.313 61.300 0.064 0.000 1.411 344 I CB -0.951 37.071 38.000 0.038 0.000 1.082 344 I HN 0.043 nan 8.210 nan 0.000 0.420 345 V N 1.719 121.671 119.914 0.064 0.000 2.282 345 V HA -0.299 3.821 4.120 0.000 0.000 0.249 345 V C 2.233 178.406 176.094 0.132 0.000 1.057 345 V CA 2.135 64.488 62.300 0.089 0.000 1.032 345 V CB -0.724 31.129 31.823 0.050 0.000 0.645 345 V HN 0.338 nan 8.190 nan 0.000 0.447 346 D N 0.249 120.703 120.400 0.089 0.000 2.144 346 D HA -0.118 4.522 4.640 0.000 0.000 0.199 346 D C 2.187 178.530 176.300 0.071 0.000 0.984 346 D CA 1.579 55.623 54.000 0.073 0.000 0.834 346 D CB -0.386 40.446 40.800 0.052 0.000 0.955 346 D HN 0.467 nan 8.370 nan 0.000 0.465 347 A N -0.031 122.838 122.820 0.081 0.000 1.898 347 A HA -0.207 4.113 4.320 0.000 0.000 0.216 347 A C 2.170 179.804 177.584 0.084 0.000 1.181 347 A CA 1.093 53.169 52.037 0.065 0.000 0.620 347 A CB -0.962 18.080 19.000 0.070 0.000 0.819 347 A HN 0.315 nan 8.150 nan 0.000 0.442 348 Y N 0.773 121.083 120.300 0.017 0.000 2.242 348 Y HA 0.015 4.565 4.550 0.000 0.000 0.291 348 Y C 2.420 178.348 175.900 0.046 0.000 1.137 348 Y CA 1.141 59.263 58.100 0.037 0.000 1.181 348 Y CB -0.614 37.879 38.460 0.054 0.000 0.989 348 Y HN 0.254 nan 8.280 nan 0.000 0.527 349 G N -0.058 108.816 108.800 0.123 0.000 2.462 349 G HA2 -0.259 3.701 3.960 0.000 0.000 0.220 349 G HA3 -0.259 3.701 3.960 0.000 0.000 0.220 349 G C 1.635 176.513 174.900 -0.037 0.000 1.121 349 G CA 0.872 46.001 45.100 0.048 0.000 0.758 349 G HN 0.379 nan 8.290 nan 0.000 0.559 350 K N -0.409 119.954 120.400 -0.061 0.000 2.365 350 K HA 0.188 4.508 4.320 0.000 0.000 0.197 350 K C 0.513 177.011 176.600 -0.170 0.000 1.042 350 K CA -0.190 56.044 56.287 -0.088 0.000 0.987 350 K CB 0.173 32.634 32.500 -0.065 0.000 0.779 350 K HN 0.292 nan 8.250 nan 0.000 0.484 351 I N 3.333 123.734 120.570 -0.281 0.000 2.576 351 I HA -0.057 4.113 4.170 0.000 0.000 0.288 351 I C 0.286 176.079 176.117 -0.539 0.000 1.126 351 I CA 0.198 61.213 61.300 -0.476 0.000 1.362 351 I CB 0.063 37.622 38.000 -0.735 0.000 1.419 351 I HN -0.001 nan 8.210 nan 0.000 0.533 352 R N 4.743 125.017 120.500 -0.377 0.000 2.643 352 R HA 0.671 5.011 4.340 0.000 0.000 0.272 352 R C -0.145 175.994 176.300 -0.268 0.000 0.995 352 R CA -0.541 55.411 56.100 -0.246 0.000 1.032 352 R CB 2.027 32.255 30.300 -0.119 0.000 1.126 352 R HN 0.714 nan 8.270 nan 0.000 0.505 353 S N -0.088 115.557 115.700 -0.092 0.000 2.732 353 S HA 0.704 5.174 4.470 0.000 0.000 0.293 353 S C -1.000 173.647 174.600 0.078 0.000 1.159 353 S CA -0.990 57.208 58.200 -0.003 0.000 0.847 353 S CB 2.427 65.715 63.200 0.146 0.000 1.169 353 S HN 0.565 nan 8.310 nan 0.000 0.501 354 K N -0.391 120.081 120.400 0.121 0.000 2.469 354 K HA 0.721 5.041 4.320 0.000 0.000 0.254 354 K C -1.817 174.904 176.600 0.203 0.000 0.939 354 K CA -1.041 55.324 56.287 0.129 0.000 0.812 354 K CB 2.055 34.600 32.500 0.074 0.000 1.301 354 K HN 0.380 nan 8.250 nan 0.000 0.433 355 V N 2.111 122.127 119.914 0.170 0.000 2.318 355 V HA 0.231 4.351 4.120 0.000 0.000 0.271 355 V C -0.574 175.563 176.094 0.071 0.000 1.030 355 V CA -0.386 61.985 62.300 0.118 0.000 0.844 355 V CB 0.688 32.576 31.823 0.107 0.000 1.015 355 V HN 0.900 nan 8.190 nan 0.000 0.460 356 E N 5.475 125.674 120.200 -0.001 0.000 2.141 356 E HA 0.451 4.801 4.350 0.000 0.000 0.259 356 E C -0.867 175.626 176.600 -0.179 0.000 0.883 356 E CA -0.627 55.727 56.400 -0.077 0.000 0.744 356 E CB 1.022 30.707 29.700 -0.026 0.000 1.150 356 E HN 0.635 nan 8.360 nan 0.000 0.420 357 L N 4.512 125.519 121.223 -0.361 0.000 2.416 357 L HA 0.217 4.557 4.340 0.000 0.000 0.272 357 L C 0.274 176.964 176.870 -0.300 0.000 1.161 357 L CA 0.308 54.901 54.840 -0.412 0.000 0.845 357 L CB 0.430 42.067 42.059 -0.702 0.000 1.119 357 L HN 0.613 nan 8.230 nan 0.000 0.464 358 E N 1.982 122.081 120.200 -0.168 0.000 2.314 358 E HA 0.607 4.957 4.350 0.000 0.000 0.272 358 E C -1.574 175.028 176.600 0.005 0.000 0.884 358 E CA -0.982 55.365 56.400 -0.088 0.000 0.753 358 E CB 2.275 31.948 29.700 -0.046 0.000 1.213 358 E HN 0.170 nan 8.360 nan 0.000 0.432 359 V N 2.702 122.651 119.914 0.059 0.000 2.398 359 V HA 0.424 4.544 4.120 0.000 0.000 0.286 359 V C -0.095 176.074 176.094 0.125 0.000 1.026 359 V CA -0.682 61.712 62.300 0.157 0.000 0.868 359 V CB 1.119 33.075 31.823 0.222 0.000 0.982 359 V HN 0.607 nan 8.190 nan 0.000 0.443 360 R N 3.094 123.685 120.500 0.150 0.000 2.532 360 R HA 0.477 4.817 4.340 0.000 0.000 0.295 360 R C -0.651 175.743 176.300 0.157 0.000 0.968 360 R CA -0.701 55.470 56.100 0.117 0.000 0.916 360 R CB 1.146 31.498 30.300 0.086 0.000 1.124 360 R HN 0.792 nan 8.270 nan 0.000 0.463 361 D N 0.843 121.310 120.400 0.113 0.000 2.800 361 D HA -0.171 4.469 4.640 0.000 0.000 0.232 361 D C -0.595 175.790 176.300 0.143 0.000 1.137 361 D CA 0.627 54.697 54.000 0.116 0.000 0.718 361 D CB -1.172 39.700 40.800 0.120 0.000 1.084 361 D HN 0.215 nan 8.370 nan 0.000 0.432 362 L N 0.826 122.094 121.223 0.074 0.000 2.369 362 L HA 0.352 4.692 4.340 0.000 0.000 0.279 362 L C -1.786 175.060 176.870 -0.039 0.000 1.108 362 L CA -1.098 53.704 54.840 -0.063 0.000 0.852 362 L CB 0.242 42.213 42.059 -0.147 0.000 1.169 362 L HN -0.203 nan 8.230 nan 0.000 0.452 363 P HA 0.012 nan 4.420 nan 0.000 0.267 363 P C 0.428 177.714 177.300 -0.023 0.000 1.200 363 P CA -0.103 63.004 63.100 0.012 0.000 0.772 363 P CB 0.625 32.367 31.700 0.071 0.000 0.855 364 E N 2.462 122.652 120.200 -0.018 0.000 2.136 364 E HA -0.308 4.042 4.350 0.000 0.000 0.208 364 E C 1.164 177.738 176.600 -0.044 0.000 1.035 364 E CA 2.230 58.612 56.400 -0.030 0.000 0.838 364 E CB -0.472 29.210 29.700 -0.029 0.000 0.748 364 E HN 0.497 nan 8.360 nan 0.000 0.459 365 E N -0.196 119.971 120.200 -0.055 0.000 2.152 365 E HA 0.076 4.426 4.350 0.000 0.000 0.192 365 E C 0.365 176.936 176.600 -0.048 0.000 0.983 365 E CA 0.475 56.828 56.400 -0.077 0.000 0.818 365 E CB -0.046 29.557 29.700 -0.162 0.000 0.758 365 E HN 0.284 nan 8.360 nan 0.000 0.467 366 L N 0.620 121.824 121.223 -0.033 0.000 2.421 366 L HA 0.352 4.692 4.340 0.000 0.000 0.263 366 L C -0.181 176.628 176.870 -0.102 0.000 1.122 366 L CA -0.626 54.181 54.840 -0.055 0.000 0.804 366 L CB 1.158 43.151 42.059 -0.110 0.000 1.150 366 L HN 0.011 nan 8.230 nan 0.000 0.457 367 S N 1.662 117.295 115.700 -0.111 0.000 2.592 367 S HA 0.567 5.037 4.470 0.000 0.000 0.275 367 S C -1.012 173.512 174.600 -0.126 0.000 1.169 367 S CA -0.955 57.183 58.200 -0.103 0.000 0.958 367 S CB 0.907 64.072 63.200 -0.058 0.000 1.095 367 S HN 0.396 nan 8.310 nan 0.000 0.471 368 L N 2.391 123.526 121.223 -0.148 0.000 2.387 368 L HA 0.885 5.225 4.340 0.000 0.000 0.266 368 L C 0.214 176.913 176.870 -0.285 0.000 1.059 368 L CA -0.630 54.047 54.840 -0.272 0.000 0.801 368 L CB 1.845 43.690 42.059 -0.356 0.000 1.223 368 L HN 1.004 nan 8.230 nan 0.000 0.456 369 S N 0.071 115.458 115.700 -0.521 0.000 2.543 369 S HA 0.723 5.193 4.470 0.000 0.000 0.271 369 S C -1.204 173.093 174.600 -0.505 0.000 1.148 369 S CA -0.792 57.212 58.200 -0.326 0.000 0.914 369 S CB 1.270 64.394 63.200 -0.127 0.000 1.096 369 S HN 0.282 nan 8.310 nan 0.000 0.471 370 F N 1.196 121.128 119.950 -0.030 0.000 2.546 370 F HA 0.637 5.164 4.527 0.000 0.000 0.320 370 F C 0.033 175.848 175.800 0.025 0.000 1.076 370 F CA -0.864 57.130 58.000 -0.010 0.000 0.928 370 F CB 1.865 40.866 39.000 0.002 0.000 1.189 370 F HN 0.504 nan 8.300 nan 0.000 0.465 371 N N 1.433 120.269 118.700 0.226 0.000 2.442 371 N HA 0.594 5.334 4.740 0.000 0.000 0.274 371 N C -0.992 174.634 175.510 0.193 0.000 1.002 371 N CA -0.543 52.601 53.050 0.156 0.000 0.910 371 N CB 1.920 40.443 38.487 0.060 0.000 1.244 371 N HN 0.732 nan 8.380 nan 0.000 0.492 372 A N 1.462 124.383 122.820 0.169 0.000 2.331 372 A HA 0.653 4.973 4.320 0.000 0.000 0.283 372 A C -0.192 177.304 177.584 -0.146 0.000 1.142 372 A CA -0.186 51.858 52.037 0.012 0.000 0.812 372 A CB 0.296 19.368 19.000 0.119 0.000 1.074 372 A HN 0.470 nan 8.150 nan 0.000 0.497 373 T N 2.525 116.884 114.554 -0.326 0.000 2.991 373 T HA 0.383 4.733 4.350 0.000 0.000 0.347 373 T C -0.110 174.431 174.700 -0.265 0.000 1.122 373 T CA -0.350 61.617 62.100 -0.222 0.000 1.062 373 T CB -0.038 68.732 68.868 -0.163 0.000 1.043 373 T HN 0.724 nan 8.240 nan 0.000 0.491 374 c N 1.825 120.313 118.600 -0.186 0.000 2.551 374 c HA 0.414 4.984 4.570 0.000 0.000 0.377 374 c C 2.478 176.511 174.090 -0.096 0.000 1.622 374 c CA -0.870 55.367 56.329 -0.153 0.000 1.980 374 c CB -0.344 42.107 42.510 -0.098 0.000 1.946 374 c HN 0.887 nan 8.230 nan 0.000 0.525 375 L N 2.103 123.288 121.223 -0.064 0.000 2.089 375 L HA -0.197 4.143 4.340 0.000 0.000 0.213 375 L C 2.310 179.159 176.870 -0.035 0.000 1.079 375 L CA 1.977 56.793 54.840 -0.040 0.000 0.758 375 L CB -0.898 41.148 42.059 -0.020 0.000 0.891 375 L HN 0.818 nan 8.230 nan 0.000 0.433 376 N N 0.036 118.715 118.700 -0.035 0.000 2.550 376 N HA -0.200 4.540 4.740 0.000 0.000 0.186 376 N C -0.034 175.457 175.510 -0.031 0.000 1.110 376 N CA 0.590 53.623 53.050 -0.028 0.000 0.912 376 N CB -0.785 37.687 38.487 -0.024 0.000 0.968 376 N HN 0.272 nan 8.380 nan 0.000 0.448 377 N N 0.620 119.294 118.700 -0.043 0.000 2.681 377 N HA -0.167 4.573 4.740 0.000 0.000 0.259 377 N C -1.519 173.968 175.510 -0.038 0.000 1.066 377 N CA 0.815 53.839 53.050 -0.044 0.000 0.717 377 N CB -1.281 37.186 38.487 -0.033 0.000 0.885 377 N HN 0.589 nan 8.380 nan 0.000 0.547 378 E N -0.541 119.633 120.200 -0.044 0.000 2.274 378 E HA 0.274 4.624 4.350 0.000 0.000 0.269 378 E C -0.756 175.821 176.600 -0.038 0.000 0.891 378 E CA -0.768 55.612 56.400 -0.034 0.000 0.784 378 E CB 1.959 31.644 29.700 -0.024 0.000 1.225 378 E HN 0.008 nan 8.360 nan 0.000 0.412 379 V N 5.353 125.248 119.914 -0.031 0.000 2.364 379 V HA 0.098 4.218 4.120 0.000 0.000 0.252 379 V C 0.243 176.332 176.094 -0.008 0.000 1.075 379 V CA 0.277 62.562 62.300 -0.025 0.000 1.033 379 V CB -0.588 31.224 31.823 -0.018 0.000 1.116 379 V HN 0.550 nan 8.190 nan 0.000 0.488 380 I N 8.948 129.516 120.570 -0.003 0.000 2.308 380 I HA 0.258 4.428 4.170 0.000 0.000 0.293 380 I C -1.836 174.303 176.117 0.036 0.000 1.078 380 I CA -1.707 59.601 61.300 0.014 0.000 1.292 380 I CB 1.012 39.020 38.000 0.014 0.000 1.423 380 I HN 0.389 nan 8.210 nan 0.000 0.493 381 P HA 0.122 nan 4.420 nan 0.000 0.275 381 P C 0.846 178.183 177.300 0.062 0.000 1.228 381 P CA 0.337 63.465 63.100 0.047 0.000 0.786 381 P CB 1.318 33.035 31.700 0.028 0.000 0.927 382 G N 0.653 109.508 108.800 0.092 0.000 2.267 382 G HA2 -0.266 3.694 3.960 0.000 0.000 0.257 382 G HA3 -0.266 3.694 3.960 0.000 0.000 0.257 382 G C -0.153 174.813 174.900 0.109 0.000 0.998 382 G CA 0.216 45.379 45.100 0.104 0.000 0.620 382 G HN 0.608 nan 8.290 nan 0.000 0.529 383 L N 1.019 122.303 121.223 0.102 0.000 2.375 383 L HA 0.733 5.073 4.340 0.000 0.000 0.271 383 L C 1.115 178.052 176.870 0.111 0.000 1.107 383 L CA 0.330 55.217 54.840 0.079 0.000 0.806 383 L CB 1.150 43.252 42.059 0.072 0.000 1.146 383 L HN 0.335 nan 8.230 nan 0.000 0.447 384 K N 1.045 121.437 120.400 -0.014 0.000 2.706 384 K HA 0.379 4.699 4.320 0.000 0.000 0.203 384 K C -0.892 175.620 176.600 -0.147 0.000 1.102 384 K CA -0.211 55.952 56.287 -0.208 0.000 1.058 384 K CB 0.267 32.276 32.500 -0.817 0.000 0.779 384 K HN 0.495 nan 8.250 nan 0.000 0.483 385 S N -0.308 115.474 115.700 0.136 0.000 2.533 385 S HA 0.567 5.037 4.470 0.000 0.000 0.271 385 S C -0.744 173.972 174.600 0.194 0.000 1.143 385 S CA -0.764 57.526 58.200 0.150 0.000 0.891 385 S CB 1.324 64.533 63.200 0.015 0.000 1.105 385 S HN 0.239 nan 8.310 nan 0.000 0.468 386 c N 3.408 122.128 118.600 0.199 0.000 2.507 386 c HA 0.734 5.304 4.570 0.000 0.000 0.319 386 c C 0.090 174.223 174.090 0.071 0.000 1.208 386 c CA -0.604 55.779 56.329 0.090 0.000 1.619 386 c CB 0.918 43.444 42.510 0.027 0.000 2.230 386 c HN 0.945 nan 8.230 nan 0.000 0.492 387 M N 1.299 120.922 119.600 0.038 0.000 2.705 387 M HA 0.572 5.052 4.480 0.000 0.000 0.311 387 M C 0.884 177.196 176.300 0.020 0.000 1.214 387 M CA 0.235 55.553 55.300 0.030 0.000 0.920 387 M CB 1.696 34.304 32.600 0.013 0.000 1.687 387 M HN 0.990 nan 8.290 nan 0.000 0.481 388 G N 1.479 110.287 108.800 0.014 0.000 2.171 388 G HA2 -0.169 3.791 3.960 0.000 0.000 0.238 388 G HA3 -0.169 3.791 3.960 0.000 0.000 0.238 388 G C -1.005 173.909 174.900 0.024 0.000 1.039 388 G CA -0.496 44.607 45.100 0.004 0.000 0.759 388 G HN 0.416 nan 8.290 nan 0.000 0.501 389 L N 0.122 121.379 121.223 0.056 0.000 2.326 389 L HA 0.613 4.953 4.340 0.000 0.000 0.278 389 L C 0.779 177.733 176.870 0.139 0.000 1.092 389 L CA -0.041 54.857 54.840 0.097 0.000 0.810 389 L CB 1.168 43.312 42.059 0.143 0.000 1.153 389 L HN 0.243 nan 8.230 nan 0.000 0.439 390 K N 2.491 122.966 120.400 0.125 0.000 2.177 390 K HA 0.529 4.849 4.320 0.000 0.000 0.238 390 K C -0.450 176.230 176.600 0.132 0.000 1.015 390 K CA -0.922 55.463 56.287 0.162 0.000 0.922 390 K CB 0.826 33.379 32.500 0.087 0.000 1.127 390 K HN 0.274 nan 8.250 nan 0.000 0.469 391 I N 1.890 122.492 120.570 0.054 0.000 2.683 391 I HA -0.043 4.127 4.170 0.000 0.000 0.286 391 I C 1.415 177.530 176.117 -0.003 0.000 1.175 391 I CA 1.328 62.582 61.300 -0.078 0.000 1.429 391 I CB -0.320 37.606 38.000 -0.123 0.000 1.371 391 I HN 1.034 nan 8.210 nan 0.000 0.569 392 G N 5.360 114.160 108.800 -0.000 0.000 2.234 392 G HA2 -0.209 3.751 3.960 0.000 0.000 0.235 392 G HA3 -0.209 3.751 3.960 0.000 0.000 0.235 392 G C 0.088 175.006 174.900 0.030 0.000 0.997 392 G CA -0.282 44.828 45.100 0.017 0.000 0.623 392 G HN 0.533 nan 8.290 nan 0.000 0.514 393 D N 1.416 121.841 120.400 0.042 0.000 2.399 393 D HA 0.547 5.187 4.640 0.000 0.000 0.241 393 D C 0.414 176.740 176.300 0.044 0.000 1.133 393 D CA 0.963 54.988 54.000 0.041 0.000 0.890 393 D CB 1.005 41.835 40.800 0.051 0.000 1.201 393 D HN 0.148 nan 8.370 nan 0.000 0.432 394 T N 0.639 115.205 114.554 0.020 0.000 2.848 394 T HA 0.563 4.913 4.350 0.000 0.000 0.285 394 T C -0.210 174.471 174.700 -0.031 0.000 0.995 394 T CA -0.828 61.277 62.100 0.008 0.000 0.970 394 T CB 1.246 70.116 68.868 0.004 0.000 0.976 394 T HN 0.211 nan 8.240 nan 0.000 0.441 395 V N -0.128 119.753 119.914 -0.056 0.000 3.103 395 V HA 0.993 5.113 4.120 0.000 0.000 0.318 395 V C -0.266 175.689 176.094 -0.233 0.000 1.114 395 V CA -0.902 61.291 62.300 -0.178 0.000 1.020 395 V CB 2.027 33.708 31.823 -0.238 0.000 1.085 395 V HN 0.816 nan 8.190 nan 0.000 0.446 396 S N 0.586 116.018 115.700 -0.446 0.000 2.575 396 S HA 0.833 5.303 4.470 0.000 0.000 0.278 396 S C -1.446 172.846 174.600 -0.514 0.000 1.139 396 S CA -0.425 57.593 58.200 -0.304 0.000 0.954 396 S CB 0.837 63.952 63.200 -0.141 0.000 1.054 396 S HN 0.609 nan 8.310 nan 0.000 0.483 397 F N 1.671 121.627 119.950 0.009 0.000 2.561 397 F HA 0.636 5.163 4.527 0.000 0.000 0.321 397 F C 0.601 176.398 175.800 -0.004 0.000 1.065 397 F CA -0.910 57.106 58.000 0.026 0.000 0.934 397 F CB 2.118 41.164 39.000 0.077 0.000 1.215 397 F HN 0.450 nan 8.300 nan 0.000 0.471 398 S N 2.405 118.196 115.700 0.151 0.000 2.498 398 S HA 0.689 5.159 4.470 0.000 0.000 0.324 398 S C -0.837 173.673 174.600 -0.150 0.000 1.071 398 S CA -0.443 57.741 58.200 -0.027 0.000 1.113 398 S CB -0.116 63.059 63.200 -0.042 0.000 0.976 398 S HN 0.419 nan 8.310 nan 0.000 0.462 399 I N 3.895 124.191 120.570 -0.457 0.000 2.428 399 I HA 0.498 4.668 4.170 0.000 0.000 0.296 399 I C 0.324 175.915 176.117 -0.876 0.000 0.985 399 I CA -0.213 60.629 61.300 -0.764 0.000 1.260 399 I CB 1.491 38.974 38.000 -0.861 0.000 1.389 399 I HN 0.582 nan 8.210 nan 0.000 0.484 400 E N 4.268 124.120 120.200 -0.580 0.000 2.234 400 E HA 0.786 5.136 4.350 0.000 0.000 0.266 400 E C -1.592 174.883 176.600 -0.209 0.000 0.877 400 E CA -0.953 55.255 56.400 -0.320 0.000 0.758 400 E CB 1.646 31.226 29.700 -0.199 0.000 1.170 400 E HN 0.742 nan 8.360 nan 0.000 0.415 401 A N 4.687 127.498 122.820 -0.015 0.000 2.318 401 A HA 0.495 4.815 4.320 0.000 0.000 0.317 401 A C -0.915 176.684 177.584 0.025 0.000 1.159 401 A CA -0.709 51.338 52.037 0.016 0.000 0.799 401 A CB 1.092 20.190 19.000 0.162 0.000 1.194 401 A HN 0.542 nan 8.150 nan 0.000 0.479 402 K N 2.567 122.962 120.400 -0.009 0.000 2.358 402 K HA 0.538 4.858 4.320 0.000 0.000 0.260 402 K C -1.144 175.472 176.600 0.027 0.000 0.956 402 K CA -0.455 55.839 56.287 0.013 0.000 0.834 402 K CB 1.779 34.275 32.500 -0.008 0.000 1.102 402 K HN 0.557 nan 8.250 nan 0.000 0.431 403 V N 4.745 124.702 119.914 0.072 0.000 2.607 403 V HA 0.310 4.430 4.120 0.000 0.000 0.289 403 V C -0.268 175.833 176.094 0.010 0.000 1.053 403 V CA -0.521 61.831 62.300 0.086 0.000 0.996 403 V CB 1.158 33.123 31.823 0.235 0.000 0.995 403 V HN 0.815 nan 8.190 nan 0.000 0.476 404 R N 5.339 125.816 120.500 -0.039 0.000 2.308 404 R HA 0.517 4.857 4.340 0.000 0.000 0.325 404 R C 0.690 176.940 176.300 -0.084 0.000 1.161 404 R CA 0.827 56.894 56.100 -0.054 0.000 1.022 404 R CB -0.235 30.029 30.300 -0.059 0.000 1.091 404 R HN 1.319 nan 8.270 nan 0.000 0.497 405 G N 2.499 111.265 108.800 -0.057 0.000 2.564 405 G HA2 -0.350 3.610 3.960 0.000 0.000 0.273 405 G HA3 -0.350 3.610 3.960 0.000 0.000 0.273 405 G C -0.727 174.110 174.900 -0.105 0.000 1.242 405 G CA 0.002 45.063 45.100 -0.065 0.000 0.951 405 G HN 0.755 nan 8.290 nan 0.000 0.564 406 c N 3.418 121.945 118.600 -0.121 0.000 2.293 406 c HA 0.784 5.354 4.570 0.000 0.000 0.323 406 c C -1.839 172.119 174.090 -0.220 0.000 1.240 406 c CA -0.855 55.383 56.329 -0.152 0.000 1.497 406 c CB 0.316 42.783 42.510 -0.072 0.000 2.171 406 c HN 0.803 nan 8.230 nan 0.000 0.465 407 P HA 0.379 nan 4.420 nan 0.000 0.287 407 P C 0.148 177.327 177.300 -0.202 0.000 1.270 407 P CA -0.252 62.641 63.100 -0.346 0.000 0.844 407 P CB 0.870 32.225 31.700 -0.574 0.000 1.068 408 Q N 0.015 119.745 119.800 -0.116 0.000 2.297 408 Q HA -0.100 4.240 4.340 0.000 0.000 0.204 408 Q C 1.502 177.496 176.000 -0.010 0.000 0.962 408 Q CA 0.806 56.579 55.803 -0.050 0.000 0.879 408 Q CB 0.157 28.872 28.738 -0.039 0.000 0.947 408 Q HN 0.513 nan 8.270 nan 0.000 0.462 409 E N 0.779 120.972 120.200 -0.011 0.000 2.085 409 E HA -0.208 4.142 4.350 0.000 0.000 0.194 409 E C 0.821 177.504 176.600 0.138 0.000 0.994 409 E CA 0.879 57.314 56.400 0.058 0.000 0.801 409 E CB 0.165 29.909 29.700 0.073 0.000 0.743 409 E HN 0.163 nan 8.360 nan 0.000 0.453 410 K N -0.916 119.641 120.400 0.261 0.000 3.495 410 K HA -0.199 4.121 4.320 0.000 0.000 0.288 410 K C -0.033 176.720 176.600 0.255 0.000 0.908 410 K CA 1.519 58.006 56.287 0.334 0.000 1.231 410 K CB -1.029 31.556 32.500 0.142 0.000 1.399 410 K HN 0.302 nan 8.250 nan 0.000 0.465 411 E N 0.571 120.881 120.200 0.183 0.000 2.432 411 E HA 0.288 4.638 4.350 0.000 0.000 0.272 411 E C -0.973 175.673 176.600 0.077 0.000 0.937 411 E CA -0.288 56.144 56.400 0.052 0.000 0.812 411 E CB 1.618 31.325 29.700 0.012 0.000 1.377 411 E HN 0.070 nan 8.360 nan 0.000 0.399 412 K N 0.721 121.168 120.400 0.077 0.000 2.352 412 K HA 0.650 4.970 4.320 0.000 0.000 0.240 412 K C -0.592 176.049 176.600 0.068 0.000 1.017 412 K CA -0.902 55.451 56.287 0.110 0.000 0.851 412 K CB 2.059 34.687 32.500 0.213 0.000 1.261 412 K HN 0.429 nan 8.250 nan 0.000 0.451 413 S N 0.513 116.270 115.700 0.094 0.000 2.541 413 S HA 0.765 5.235 4.470 0.000 0.000 0.280 413 S C -0.908 173.789 174.600 0.161 0.000 1.112 413 S CA -0.944 57.287 58.200 0.052 0.000 0.925 413 S CB 0.690 63.870 63.200 -0.034 0.000 1.067 413 S HN 0.577 nan 8.310 nan 0.000 0.479 414 F N -1.163 118.782 119.950 -0.009 0.000 2.626 414 F HA 0.876 5.403 4.527 0.000 0.000 0.311 414 F C -0.825 174.982 175.800 0.012 0.000 1.088 414 F CA -0.813 57.195 58.000 0.014 0.000 0.949 414 F CB 1.313 40.334 39.000 0.034 0.000 1.322 414 F HN 0.510 nan 8.300 nan 0.000 0.461 415 T N 2.874 117.489 114.554 0.100 0.000 2.888 415 T HA 0.644 4.994 4.350 0.000 0.000 0.284 415 T C -0.560 174.219 174.700 0.131 0.000 1.017 415 T CA -0.487 61.614 62.100 0.002 0.000 1.022 415 T CB 1.490 70.372 68.868 0.022 0.000 1.013 415 T HN 0.548 nan 8.240 nan 0.000 0.465 416 I N 2.871 123.482 120.570 0.068 0.000 2.390 416 I HA 0.407 4.577 4.170 0.000 0.000 0.283 416 I C -0.014 176.121 176.117 0.029 0.000 1.016 416 I CA -0.616 60.755 61.300 0.118 0.000 1.151 416 I CB 1.097 39.213 38.000 0.192 0.000 1.293 416 I HN 0.276 nan 8.210 nan 0.000 0.458 417 K N 8.261 128.667 120.400 0.011 0.000 2.292 417 K HA 0.570 4.890 4.320 0.000 0.000 0.257 417 K C -2.739 173.827 176.600 -0.057 0.000 0.940 417 K CA -1.818 54.464 56.287 -0.008 0.000 0.811 417 K CB 2.059 34.575 32.500 0.027 0.000 1.120 417 K HN 0.098 nan 8.250 nan 0.000 0.428 418 P HA 0.024 nan 4.420 nan 0.000 0.276 418 P C -0.721 176.629 177.300 0.083 0.000 1.235 418 P CA -0.495 62.528 63.100 -0.128 0.000 0.772 418 P CB 0.831 32.253 31.700 -0.464 0.000 0.871 419 V N 3.506 123.466 119.914 0.077 0.000 2.585 419 V HA 0.285 4.405 4.120 0.000 0.000 0.296 419 V C 1.742 177.972 176.094 0.227 0.000 1.035 419 V CA 1.730 64.100 62.300 0.116 0.000 1.084 419 V CB -0.418 31.439 31.823 0.057 0.000 0.953 419 V HN 1.034 nan 8.190 nan 0.000 0.483 420 G N 4.317 113.220 108.800 0.170 0.000 2.258 420 G HA2 -0.240 3.720 3.960 0.000 0.000 0.233 420 G HA3 -0.240 3.720 3.960 0.000 0.000 0.233 420 G C -0.101 174.831 174.900 0.053 0.000 1.006 420 G CA -0.207 44.956 45.100 0.105 0.000 0.620 420 G HN 0.506 nan 8.290 nan 0.000 0.511 421 F N 1.511 121.474 119.950 0.022 0.000 2.394 421 F HA 0.580 5.107 4.527 0.000 0.000 0.340 421 F C 1.588 177.398 175.800 0.016 0.000 1.105 421 F CA -0.419 57.594 58.000 0.022 0.000 1.124 421 F CB 1.483 40.497 39.000 0.023 0.000 1.145 421 F HN -0.083 nan 8.300 nan 0.000 0.505 422 K N 0.313 120.802 120.400 0.147 0.000 2.288 422 K HA -0.041 4.279 4.320 0.000 0.000 0.201 422 K C -0.211 176.457 176.600 0.112 0.000 1.048 422 K CA 0.613 56.959 56.287 0.098 0.000 0.956 422 K CB -0.128 32.403 32.500 0.051 0.000 0.746 422 K HN 0.597 nan 8.250 nan 0.000 0.461 423 D N 0.818 121.318 120.400 0.167 0.000 2.357 423 D HA 0.127 4.767 4.640 0.000 0.000 0.242 423 D C 0.169 176.517 176.300 0.080 0.000 1.153 423 D CA 0.204 54.276 54.000 0.120 0.000 0.918 423 D CB 1.051 41.940 40.800 0.148 0.000 1.181 423 D HN 0.101 nan 8.370 nan 0.000 0.435 424 S N -0.003 115.718 115.700 0.035 0.000 2.661 424 S HA 0.547 5.017 4.470 0.000 0.000 0.268 424 S C -1.940 172.653 174.600 -0.013 0.000 1.162 424 S CA -1.083 57.121 58.200 0.008 0.000 0.817 424 S CB 0.802 64.009 63.200 0.012 0.000 1.141 424 S HN 0.308 nan 8.310 nan 0.000 0.477 425 L N 1.465 122.671 121.223 -0.028 0.000 2.316 425 L HA 0.642 4.982 4.340 0.000 0.000 0.280 425 L C -1.187 175.602 176.870 -0.135 0.000 1.006 425 L CA -0.827 53.976 54.840 -0.062 0.000 0.836 425 L CB 0.617 42.662 42.059 -0.023 0.000 1.221 425 L HN 0.792 nan 8.230 nan 0.000 0.418 426 I N 5.824 126.300 120.570 -0.157 0.000 2.396 426 I HA 0.254 4.424 4.170 0.000 0.000 0.289 426 I C -0.505 175.404 176.117 -0.346 0.000 1.056 426 I CA -0.504 60.660 61.300 -0.227 0.000 1.365 426 I CB 1.248 39.158 38.000 -0.150 0.000 1.407 426 I HN 0.293 nan 8.210 nan 0.000 0.509 427 V N 6.971 126.530 119.914 -0.592 0.000 2.357 427 V HA 0.242 4.362 4.120 0.000 0.000 0.284 427 V C -0.115 175.672 176.094 -0.511 0.000 1.018 427 V CA -0.739 61.150 62.300 -0.686 0.000 0.841 427 V CB 1.229 32.389 31.823 -1.104 0.000 0.991 427 V HN 0.683 nan 8.190 nan 0.000 0.437 428 Q N 3.383 122.992 119.800 -0.318 0.000 2.274 428 Q HA 0.573 4.913 4.340 0.000 0.000 0.256 428 Q C -0.898 174.980 176.000 -0.203 0.000 0.927 428 Q CA -0.397 55.282 55.803 -0.206 0.000 0.939 428 Q CB 2.187 30.827 28.738 -0.163 0.000 1.201 428 Q HN 0.598 nan 8.270 nan 0.000 0.426 429 V N 3.030 122.835 119.914 -0.183 0.000 2.378 429 V HA 0.291 4.411 4.120 0.000 0.000 0.288 429 V C -0.184 175.612 176.094 -0.497 0.000 1.016 429 V CA -0.620 61.492 62.300 -0.313 0.000 0.840 429 V CB 1.727 33.386 31.823 -0.274 0.000 0.994 429 V HN 0.764 nan 8.190 nan 0.000 0.431 430 T N 5.595 119.882 114.554 -0.445 0.000 2.837 430 T HA 0.585 4.935 4.350 0.000 0.000 0.285 430 T C -0.460 173.943 174.700 -0.495 0.000 0.984 430 T CA 0.011 61.883 62.100 -0.379 0.000 1.049 430 T CB 0.575 69.336 68.868 -0.178 0.000 0.947 430 T HN 0.335 nan 8.240 nan 0.000 0.472 431 F N 2.115 122.058 119.950 -0.013 0.000 2.303 431 F HA 0.276 4.803 4.527 0.000 0.000 0.368 431 F C 0.667 176.451 175.800 -0.025 0.000 1.105 431 F CA -1.122 56.868 58.000 -0.017 0.000 1.153 431 F CB 0.567 39.559 39.000 -0.014 0.000 1.362 431 F HN 0.463 nan 8.300 nan 0.000 0.511 432 D N 2.512 122.967 120.400 0.093 0.000 2.374 432 D HA 0.216 4.856 4.640 0.000 0.000 0.240 432 D C 0.119 176.442 176.300 0.037 0.000 1.229 432 D CA 0.075 54.097 54.000 0.037 0.000 0.895 432 D CB 0.590 41.385 40.800 -0.008 0.000 1.046 432 D HN 0.574 nan 8.370 nan 0.000 0.498 433 c N 2.830 121.447 118.600 0.029 0.000 3.097 433 c HA 0.222 4.792 4.570 0.000 0.000 0.335 433 c C 0.409 174.483 174.090 -0.027 0.000 1.283 433 c CA -0.312 56.020 56.329 0.005 0.000 1.778 433 c CB -0.397 42.117 42.510 0.007 0.000 2.365 433 c HN 0.588 nan 8.230 nan 0.000 0.627 434 D N -0.047 120.334 120.400 -0.032 0.000 2.451 434 D HA 0.360 5.000 4.640 0.000 0.000 0.259 434 D C -0.243 176.021 176.300 -0.060 0.000 1.201 434 D CA -0.072 53.893 54.000 -0.057 0.000 1.028 434 D CB 0.493 41.264 40.800 -0.050 0.000 1.095 434 D HN 0.234 nan 8.370 nan 0.000 0.539 435 c N 0.069 118.619 118.600 -0.084 0.000 2.391 435 c HA 0.628 5.198 4.570 0.000 0.000 0.339 435 c C 1.817 175.877 174.090 -0.050 0.000 1.205 435 c CA -0.604 55.684 56.329 -0.068 0.000 1.937 435 c CB 0.901 43.344 42.510 -0.112 0.000 2.341 435 c HN 0.732 nan 8.230 nan 0.000 0.516 436 A N 0.766 123.572 122.820 -0.023 0.000 1.978 436 A HA -0.184 4.136 4.320 0.000 0.000 0.220 436 A C 1.975 179.548 177.584 -0.018 0.000 1.170 436 A CA 2.320 54.348 52.037 -0.015 0.000 0.636 436 A CB -0.912 18.088 19.000 0.000 0.000 0.810 436 A HN 1.169 nan 8.150 nan 0.000 0.448 437 c N -1.421 117.167 118.600 -0.021 0.000 2.456 437 c HA 0.005 4.575 4.570 0.000 0.000 0.279 437 c C 2.313 176.372 174.090 -0.052 0.000 1.427 437 c CA 0.660 56.974 56.329 -0.025 0.000 1.778 437 c CB -1.667 40.836 42.510 -0.012 0.000 1.842 437 c HN 0.638 nan 8.230 nan 0.000 0.531 438 Q N 1.522 121.279 119.800 -0.072 0.000 2.226 438 Q HA -0.069 4.271 4.340 0.000 0.000 0.204 438 Q C 2.645 178.617 176.000 -0.047 0.000 0.975 438 Q CA 1.551 57.307 55.803 -0.078 0.000 0.866 438 Q CB -0.291 28.392 28.738 -0.091 0.000 0.915 438 Q HN 0.865 nan 8.270 nan 0.000 0.440 439 A N 1.040 123.840 122.820 -0.032 0.000 1.917 439 A HA -0.205 4.115 4.320 0.000 0.000 0.219 439 A C 1.131 178.708 177.584 -0.010 0.000 1.182 439 A CA 1.207 53.233 52.037 -0.018 0.000 0.633 439 A CB -0.234 18.758 19.000 -0.013 0.000 0.819 439 A HN 0.247 nan 8.150 nan 0.000 0.448 440 Q N -0.246 119.548 119.800 -0.009 0.000 2.844 440 Q HA 0.595 4.935 4.340 0.000 0.000 0.235 440 Q C 0.974 176.976 176.000 0.004 0.000 1.336 440 Q CA 0.414 56.220 55.803 0.004 0.000 1.026 440 Q CB 0.424 29.169 28.738 0.012 0.000 1.513 440 Q HN 0.501 nan 8.270 nan 0.000 0.577 441 A N 2.058 124.882 122.820 0.006 0.000 1.897 441 A HA -0.116 4.204 4.320 0.000 0.000 0.215 441 A C 0.322 177.937 177.584 0.051 0.000 1.181 441 A CA 0.446 52.489 52.037 0.009 0.000 0.620 441 A CB -0.037 18.966 19.000 0.005 0.000 0.821 441 A HN 0.727 nan 8.150 nan 0.000 0.443 442 E N -1.527 118.709 120.200 0.060 0.000 2.393 442 E HA -0.173 4.177 4.350 0.000 0.000 0.169 442 E C -1.870 174.788 176.600 0.096 0.000 1.591 442 E CA 0.173 56.624 56.400 0.086 0.000 0.661 442 E CB -1.355 28.424 29.700 0.131 0.000 1.097 442 E HN 0.405 nan 8.360 nan 0.000 0.356 443 P HA -0.216 nan 4.420 nan 0.000 0.220 443 P C 0.262 177.606 177.300 0.075 0.000 1.155 443 P CA 1.427 64.563 63.100 0.061 0.000 0.880 443 P CB 0.144 31.870 31.700 0.043 0.000 0.790 444 N N -0.992 117.757 118.700 0.081 0.000 2.475 444 N HA 0.020 4.760 4.740 0.000 0.000 0.267 444 N C 1.344 176.925 175.510 0.118 0.000 1.169 444 N CA 0.284 53.386 53.050 0.088 0.000 0.947 444 N CB 0.269 38.812 38.487 0.092 0.000 1.061 444 N HN 0.108 nan 8.380 nan 0.000 0.466 445 S N 2.552 118.311 115.700 0.099 0.000 2.353 445 S HA -0.276 4.194 4.470 0.000 0.000 0.222 445 S C 1.025 175.684 174.600 0.098 0.000 1.035 445 S CA 1.839 60.105 58.200 0.110 0.000 1.025 445 S CB -0.453 62.791 63.200 0.074 0.000 0.902 445 S HN 0.879 nan 8.310 nan 0.000 0.440 446 H N 0.418 119.454 119.070 -0.057 0.000 4.919 446 H HA -0.241 4.315 4.556 0.000 0.000 0.068 446 H C 1.753 177.001 175.328 -0.134 0.000 0.578 446 H CA 2.148 58.134 56.048 -0.104 0.000 1.013 446 H CB -1.214 28.459 29.762 -0.149 0.000 0.454 446 H HN 0.425 nan 8.280 nan 0.000 0.774 447 R N -0.535 119.934 120.500 -0.053 0.000 2.075 447 R HA 0.140 4.480 4.340 0.000 0.000 0.220 447 R C 2.432 178.714 176.300 -0.030 0.000 1.118 447 R CA 1.282 57.327 56.100 -0.091 0.000 0.986 447 R CB -0.076 30.088 30.300 -0.226 0.000 0.884 447 R HN 0.434 nan 8.270 nan 0.000 0.439 448 c N 0.631 119.237 118.600 0.010 0.000 2.462 448 c HA 0.063 4.633 4.570 0.000 0.000 0.278 448 c C 0.660 174.757 174.090 0.011 0.000 1.253 448 c CA -0.067 56.283 56.329 0.035 0.000 1.713 448 c CB -0.843 41.709 42.510 0.070 0.000 2.049 448 c HN 0.573 nan 8.230 nan 0.000 0.477 449 N N 1.330 120.031 118.700 0.002 0.000 2.714 449 N HA -0.143 4.597 4.740 0.000 0.000 0.250 449 N C -0.557 174.950 175.510 -0.004 0.000 1.117 449 N CA 1.007 54.048 53.050 -0.014 0.000 0.719 449 N CB -1.624 36.838 38.487 -0.041 0.000 1.081 449 N HN 0.643 nan 8.380 nan 0.000 0.557 450 N N -0.174 118.532 118.700 0.009 0.000 2.416 450 N HA 0.322 5.062 4.740 0.000 0.000 0.267 450 N C 0.936 176.454 175.510 0.014 0.000 1.294 450 N CA 0.615 53.671 53.050 0.010 0.000 0.891 450 N CB 0.432 38.927 38.487 0.014 0.000 1.238 450 N HN 0.416 nan 8.380 nan 0.000 0.508 451 G N 0.891 109.700 108.800 0.014 0.000 2.221 451 G HA2 -0.349 3.611 3.960 0.000 0.000 0.265 451 G HA3 -0.349 3.611 3.960 0.000 0.000 0.265 451 G C 0.920 175.834 174.900 0.024 0.000 1.041 451 G CA 0.509 45.619 45.100 0.017 0.000 0.807 451 G HN 0.334 nan 8.290 nan 0.000 0.502 452 N N 0.605 119.325 118.700 0.033 0.000 2.173 452 N HA 0.375 5.115 4.740 0.000 0.000 0.184 452 N C 1.474 177.012 175.510 0.048 0.000 1.025 452 N CA 1.942 55.018 53.050 0.043 0.000 0.852 452 N CB -0.213 38.309 38.487 0.058 0.000 0.998 452 N HN 1.800 nan 8.380 nan 0.000 0.427 453 G N 0.804 109.638 108.800 0.056 0.000 3.153 453 G HA2 0.128 4.088 3.960 0.000 0.000 0.686 453 G HA3 0.128 4.088 3.960 0.000 0.000 0.686 453 G C -0.242 174.706 174.900 0.079 0.000 0.995 453 G CA 0.145 45.280 45.100 0.059 0.000 0.783 453 G HN 1.063 nan 8.290 nan 0.000 0.551 454 T N -1.648 112.964 114.554 0.098 0.000 0.541 454 T HA 0.217 4.567 4.350 0.000 0.000 0.774 454 T C -0.518 174.307 174.700 0.208 0.000 0.992 454 T CA 1.003 63.174 62.100 0.119 0.000 4.077 454 T CB -0.745 68.160 68.868 0.063 0.000 2.303 454 T HN 2.297 nan 8.240 nan 0.000 0.398 455 F N 2.680 122.646 119.950 0.028 0.000 2.831 455 F HA 0.542 5.069 4.527 0.000 0.000 0.346 455 F C -0.637 175.180 175.800 0.028 0.000 1.224 455 F CA -0.255 57.766 58.000 0.035 0.000 1.048 455 F CB 1.322 40.348 39.000 0.044 0.000 1.339 455 F HN 0.980 nan 8.300 nan 0.000 0.514 456 E N 3.655 123.598 120.200 -0.428 0.000 2.234 456 E HA 0.503 4.853 4.350 0.000 0.000 0.266 456 E C -0.180 176.191 176.600 -0.381 0.000 0.877 456 E CA -1.048 55.151 56.400 -0.335 0.000 0.758 456 E CB 1.345 30.941 29.700 -0.172 0.000 1.170 456 E HN 0.764 nan 8.360 nan 0.000 0.415 457 c N 2.769 121.210 118.600 -0.265 0.000 4.356 457 c HA -0.054 4.516 4.570 0.000 0.000 0.296 457 c C 1.229 175.304 174.090 -0.024 0.000 1.424 457 c CA 0.502 56.795 56.329 -0.059 0.000 2.000 457 c CB -2.509 40.022 42.510 0.036 0.000 1.262 457 c HN 1.558 nan 8.230 nan 0.000 0.789 458 G N -1.560 107.002 108.800 -0.396 0.000 2.401 458 G HA2 0.204 4.164 3.960 0.000 0.000 0.283 458 G HA3 0.204 4.164 3.960 0.000 0.000 0.283 458 G C -0.496 174.344 174.900 -0.100 0.000 1.117 458 G CA 0.446 45.409 45.100 -0.230 0.000 1.051 458 G HN 2.209 nan 8.290 nan 0.000 0.510 459 V N -0.220 119.496 119.914 -0.330 0.000 3.177 459 V HA 0.601 4.721 4.120 0.000 0.000 0.287 459 V C 0.549 176.712 176.094 0.115 0.000 1.465 459 V CA -0.214 62.111 62.300 0.042 0.000 1.020 459 V CB 1.462 33.369 31.823 0.141 0.000 1.152 459 V HN 0.814 nan 8.190 nan 0.000 0.448 460 c N 3.801 122.526 118.600 0.210 0.000 2.638 460 c HA 0.618 5.188 4.570 0.000 0.000 0.348 460 c C 1.133 175.287 174.090 0.107 0.000 1.860 460 c CA -0.643 55.802 56.329 0.193 0.000 1.955 460 c CB 0.400 43.009 42.510 0.165 0.000 1.922 460 c HN 0.944 nan 8.230 nan 0.000 0.519 461 R N 0.000 120.552 120.500 0.087 0.000 2.786 461 R HA 0.000 4.340 4.340 0.000 0.000 0.208 461 R CA 0.000 56.132 56.100 0.054 0.000 0.921 461 R CB 0.000 30.327 30.300 0.046 0.000 0.687 461 R HN 0.000 nan 8.270 nan 0.000 0.535