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 1e9r_1_F DATA FIRST_RESID 77 DATA SEQUENCE GEFGGAPFKR FLRGTRIVSG GKLKRMTREK AKQVTVAGVP MPRDAEPRHL DATA SEQUENCE LVNGATGTGK SVLLRELAYT GLLRGDRMVI VDPNGDMLSK FGRDKDIILN DATA SEQUENCE PYDQRTKGWS FFNEIRNDYD WQRYALSVVP RGKTDEAEEW ASYGRLLLRE DATA SEQUENCE TAKKLALIGT PSMRELFHWT TIATFDDLRG FLEGTLAESL FAGSNEASKA DATA SEQUENCE LTSARFVLSD KLPEHVTMPD GDFSIRSWLE DPNGGNLFIT WREDMGPALR DATA SEQUENCE PLISAWVDVV CTSILSLPEE PKRRLWLFID ELASLEKLAS LADALTKGRK DATA SEQUENCE AGLRVVAGLQ STSQLDDVYG VKEAQTLRAS FRSLVVLGGS RTDPKTNEDM DATA SEQUENCE SLSLGEHEVE RDRXXXXXXX XXXXXXALER VRERVVMPAE IANLPDLTAY DATA SEQUENCE VGFAGNRPIA KVPLEIKQFA NRQPAFVEG 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 77 G HA2 0.000 nan 3.960 nan 0.000 0.244 77 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 77 G C 0.000 174.951 174.900 0.085 0.000 0.946 77 G CA 0.000 45.132 45.100 0.052 0.000 0.502 78 E N -0.184 120.092 120.200 0.126 0.000 2.158 78 E HA -0.002 4.348 4.350 -0.000 0.000 0.191 78 E C 0.435 177.188 176.600 0.256 0.000 0.982 78 E CA -0.048 56.445 56.400 0.156 0.000 0.823 78 E CB 0.222 30.012 29.700 0.150 0.000 0.766 78 E HN 0.417 nan 8.360 nan 0.000 0.468 79 F N 2.706 122.751 119.950 0.160 0.000 2.445 79 F HA 0.488 5.014 4.527 -0.000 0.000 0.359 79 F C 1.357 177.258 175.800 0.169 0.000 1.101 79 F CA -0.773 57.357 58.000 0.217 0.000 1.177 79 F CB 1.431 40.657 39.000 0.378 0.000 1.110 79 F HN -0.087 nan 8.300 nan 0.000 0.522 80 G N 4.489 113.084 108.800 -0.342 0.000 2.559 80 G HA2 0.073 4.033 3.960 -0.000 0.000 0.216 80 G HA3 0.073 4.033 3.960 -0.000 0.000 0.216 80 G C 0.859 175.352 174.900 -0.677 0.000 1.126 80 G CA 0.425 45.290 45.100 -0.392 0.000 0.778 80 G HN 0.974 nan 8.290 nan 0.000 0.543 81 G N -0.210 107.594 108.800 -1.660 0.000 2.494 81 G HA2 0.509 4.469 3.960 -0.000 0.000 0.270 81 G HA3 0.509 4.469 3.960 -0.000 0.000 0.270 81 G C 0.214 174.903 174.900 -0.351 0.000 1.423 81 G CA 0.047 44.551 45.100 -0.993 0.000 1.055 81 G HN 0.524 nan 8.290 nan 0.000 0.536 82 A N 0.183 123.060 122.820 0.094 0.000 2.440 82 A HA 0.586 4.906 4.320 -0.000 0.000 0.251 82 A C -2.037 175.799 177.584 0.420 0.000 1.089 82 A CA -0.834 51.326 52.037 0.204 0.000 0.779 82 A CB -0.052 19.062 19.000 0.190 0.000 1.022 82 A HN 0.402 nan 8.150 nan 0.000 0.492 83 P HA 0.321 nan 4.420 nan 0.000 0.268 83 P C -0.693 176.763 177.300 0.260 0.000 1.208 83 P CA 0.418 63.639 63.100 0.201 0.000 0.777 83 P CB 0.217 31.946 31.700 0.049 0.000 0.875 84 F N -0.861 119.167 119.950 0.130 0.000 2.620 84 F HA 0.639 5.166 4.527 -0.000 0.000 0.320 84 F C 1.137 176.962 175.800 0.041 0.000 1.069 84 F CA -1.231 56.808 58.000 0.065 0.000 0.953 84 F CB 1.126 40.133 39.000 0.010 0.000 1.322 84 F HN 0.098 nan 8.300 nan 0.000 0.479 85 K N -0.011 120.526 120.400 0.228 0.000 1.995 85 K HA 0.170 4.490 4.320 -0.000 0.000 0.207 85 K C 0.173 176.879 176.600 0.176 0.000 1.041 85 K CA 0.753 57.115 56.287 0.125 0.000 0.942 85 K CB 0.194 32.752 32.500 0.096 0.000 0.731 85 K HN 0.717 nan 8.250 nan 0.000 0.439 86 R N 0.127 120.778 120.500 0.251 0.000 2.628 86 R HA 0.159 4.499 4.340 -0.000 0.000 0.288 86 R C -1.649 174.791 176.300 0.234 0.000 0.980 86 R CA -0.640 55.601 56.100 0.235 0.000 0.891 86 R CB 1.095 31.460 30.300 0.108 0.000 1.188 86 R HN 0.014 nan 8.270 nan 0.000 0.450 87 F N 5.054 125.089 119.950 0.142 0.000 2.427 87 F HA 0.237 4.764 4.527 -0.000 0.000 0.352 87 F C 0.008 175.758 175.800 -0.084 0.000 1.100 87 F CA -0.131 57.835 58.000 -0.057 0.000 1.191 87 F CB 0.736 39.775 39.000 0.065 0.000 1.128 87 F HN 0.514 nan 8.300 nan 0.000 0.533 88 L N 4.190 124.913 121.223 -0.834 0.000 2.416 88 L HA 0.350 4.690 4.340 -0.000 0.000 0.188 88 L C 0.110 176.636 176.870 -0.573 0.000 1.145 88 L CA -0.084 54.457 54.840 -0.499 0.000 0.826 88 L CB -0.062 41.775 42.059 -0.370 0.000 1.064 88 L HN 0.571 nan 8.230 nan 0.000 0.490 89 R N -1.383 118.617 120.500 -0.833 0.000 2.795 89 R HA 0.734 5.074 4.340 -0.000 0.000 0.268 89 R C -0.431 175.652 176.300 -0.363 0.000 1.041 89 R CA -0.311 55.560 56.100 -0.382 0.000 0.927 89 R CB 0.895 31.095 30.300 -0.168 0.000 1.235 89 R HN 0.199 nan 8.270 nan 0.000 0.463 90 G N -0.111 108.718 108.800 0.049 0.000 2.472 90 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.205 90 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.205 90 G C -0.982 174.114 174.900 0.327 0.000 1.270 90 G CA -0.454 44.723 45.100 0.129 0.000 0.974 90 G HN 0.675 nan 8.290 nan 0.000 0.542 91 T N 1.974 116.673 114.554 0.241 0.000 2.814 91 T HA 0.523 4.873 4.350 -0.000 0.000 0.297 91 T C 0.765 175.635 174.700 0.284 0.000 0.956 91 T CA 0.177 62.399 62.100 0.202 0.000 1.123 91 T CB 0.527 69.448 68.868 0.088 0.000 0.902 91 T HN 0.590 nan 8.240 nan 0.000 0.528 92 R N 2.588 123.151 120.500 0.104 0.000 2.312 92 R HA 0.578 4.918 4.340 -0.000 0.000 0.311 92 R C -0.335 175.993 176.300 0.046 0.000 1.004 92 R CA -0.579 55.481 56.100 -0.066 0.000 0.902 92 R CB 1.316 31.430 30.300 -0.309 0.000 1.073 92 R HN 0.591 nan 8.270 nan 0.000 0.457 93 I N 3.010 123.647 120.570 0.111 0.000 2.493 93 I HA 0.451 4.621 4.170 -0.000 0.000 0.298 93 I C -0.949 175.245 176.117 0.128 0.000 0.998 93 I CA -0.846 60.548 61.300 0.157 0.000 1.137 93 I CB 1.552 39.703 38.000 0.252 0.000 1.310 93 I HN 0.308 nan 8.210 nan 0.000 0.445 94 V N 5.176 125.157 119.914 0.111 0.000 3.167 94 V HA 0.480 4.600 4.120 -0.000 0.000 0.310 94 V C -0.229 175.914 176.094 0.082 0.000 1.207 94 V CA -0.430 61.918 62.300 0.079 0.000 1.059 94 V CB 2.708 34.561 31.823 0.050 0.000 1.079 94 V HN 0.869 nan 8.190 nan 0.000 0.446 95 S N 0.879 116.614 115.700 0.059 0.000 2.603 95 S HA 0.350 4.820 4.470 -0.000 0.000 0.268 95 S C 1.305 175.931 174.600 0.043 0.000 1.317 95 S CA 0.289 58.517 58.200 0.047 0.000 1.012 95 S CB 1.236 64.456 63.200 0.034 0.000 0.926 95 S HN 1.283 nan 8.310 nan 0.000 0.539 96 G N 1.345 110.163 108.800 0.030 0.000 2.446 96 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.217 96 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.217 96 G C 1.373 176.298 174.900 0.041 0.000 1.168 96 G CA 0.665 45.784 45.100 0.033 0.000 0.771 96 G HN 1.042 nan 8.290 nan 0.000 0.551 97 G N 0.572 109.390 108.800 0.031 0.000 2.446 97 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 97 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 97 G C 1.711 176.631 174.900 0.033 0.000 1.168 97 G CA 1.370 46.487 45.100 0.030 0.000 0.771 97 G HN 0.546 nan 8.290 nan 0.000 0.551 98 K N -0.367 120.053 120.400 0.033 0.000 2.057 98 K HA -0.025 4.295 4.320 -0.000 0.000 0.207 98 K C 2.388 179.013 176.600 0.043 0.000 1.049 98 K CA 1.123 57.428 56.287 0.032 0.000 0.931 98 K CB -0.273 32.244 32.500 0.027 0.000 0.714 98 K HN 0.249 nan 8.250 nan 0.000 0.440 99 L N 1.648 122.908 121.223 0.061 0.000 2.056 99 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 99 L C 1.703 178.627 176.870 0.090 0.000 1.078 99 L CA 1.799 56.693 54.840 0.090 0.000 0.749 99 L CB -0.269 41.864 42.059 0.122 0.000 0.901 99 L HN 0.085 nan 8.230 nan 0.000 0.433 100 K N -0.917 119.531 120.400 0.079 0.000 2.147 100 K HA -0.159 4.161 4.320 -0.000 0.000 0.205 100 K C 2.191 178.815 176.600 0.041 0.000 1.049 100 K CA 1.296 57.623 56.287 0.068 0.000 0.936 100 K CB -0.218 32.316 32.500 0.058 0.000 0.722 100 K HN 0.347 nan 8.250 nan 0.000 0.446 101 R N 0.570 121.091 120.500 0.034 0.000 2.066 101 R HA -0.006 4.334 4.340 -0.000 0.000 0.232 101 R C 2.384 178.693 176.300 0.015 0.000 1.131 101 R CA 1.548 57.660 56.100 0.021 0.000 0.955 101 R CB -0.233 30.078 30.300 0.018 0.000 0.851 101 R HN 0.209 nan 8.270 nan 0.000 0.432 102 M N -0.073 119.540 119.600 0.022 0.000 2.175 102 M HA -0.101 4.379 4.480 -0.000 0.000 0.264 102 M C 2.196 178.495 176.300 -0.001 0.000 1.063 102 M CA 1.951 57.260 55.300 0.015 0.000 1.119 102 M CB -0.316 32.301 32.600 0.028 0.000 1.377 102 M HN 0.231 nan 8.290 nan 0.000 0.415 103 T N -2.295 112.258 114.554 -0.001 0.000 3.057 103 T HA 0.086 4.436 4.350 -0.000 0.000 0.254 103 T C 0.941 175.604 174.700 -0.061 0.000 1.094 103 T CA -0.277 61.787 62.100 -0.060 0.000 1.088 103 T CB -0.108 68.695 68.868 -0.108 0.000 0.934 103 T HN 0.251 nan 8.240 nan 0.000 0.497 104 R N 1.584 122.070 120.500 -0.024 0.000 2.522 104 R HA 0.190 4.530 4.340 -0.000 0.000 0.284 104 R C -0.381 175.903 176.300 -0.026 0.000 1.032 104 R CA 0.458 56.547 56.100 -0.019 0.000 1.049 104 R CB 0.310 30.609 30.300 -0.003 0.000 0.956 104 R HN 0.504 nan 8.270 nan 0.000 0.422 105 E N 2.310 122.494 120.200 -0.028 0.000 2.393 105 E HA 0.155 4.505 4.350 -0.000 0.000 0.265 105 E C 0.110 176.699 176.600 -0.018 0.000 0.941 105 E CA -0.957 55.427 56.400 -0.027 0.000 0.801 105 E CB 1.551 31.229 29.700 -0.037 0.000 1.313 105 E HN 0.418 nan 8.360 nan 0.000 0.435 106 K N 0.381 120.771 120.400 -0.016 0.000 2.001 106 K HA 0.027 4.347 4.320 -0.000 0.000 0.208 106 K C 0.857 177.451 176.600 -0.011 0.000 1.048 106 K CA 1.051 57.331 56.287 -0.012 0.000 0.932 106 K CB -0.390 32.103 32.500 -0.012 0.000 0.715 106 K HN 0.439 nan 8.250 nan 0.000 0.437 107 A N 1.629 124.441 122.820 -0.012 0.000 2.429 107 A HA 0.088 4.408 4.320 -0.000 0.000 0.242 107 A C -0.442 177.139 177.584 -0.006 0.000 1.088 107 A CA -0.212 51.819 52.037 -0.009 0.000 0.784 107 A CB -0.027 18.967 19.000 -0.010 0.000 1.038 107 A HN 0.228 nan 8.150 nan 0.000 0.501 108 K N 0.954 121.353 120.400 -0.001 0.000 2.412 108 K HA 0.205 4.525 4.320 -0.000 0.000 0.281 108 K C 0.002 176.608 176.600 0.010 0.000 1.027 108 K CA 0.608 56.895 56.287 0.000 0.000 0.989 108 K CB 0.338 32.837 32.500 -0.000 0.000 0.935 108 K HN 0.715 nan 8.250 nan 0.000 0.475 109 Q N 0.825 120.628 119.800 0.007 0.000 2.416 109 Q HA 0.504 4.844 4.340 -0.000 0.000 0.279 109 Q C -0.740 175.272 176.000 0.021 0.000 1.101 109 Q CA -1.218 54.597 55.803 0.020 0.000 0.830 109 Q CB 2.142 30.881 28.738 0.002 0.000 1.402 109 Q HN 0.471 nan 8.270 nan 0.000 0.445 110 V N -2.035 117.909 119.914 0.050 0.000 2.834 110 V HA 0.799 4.919 4.120 -0.000 0.000 0.313 110 V C -0.162 175.965 176.094 0.055 0.000 1.060 110 V CA -0.667 61.644 62.300 0.018 0.000 0.989 110 V CB 1.453 33.272 31.823 -0.007 0.000 1.041 110 V HN 0.917 nan 8.190 nan 0.000 0.459 111 T N -0.330 114.257 114.554 0.054 0.000 2.888 111 T HA 0.750 5.100 4.350 -0.000 0.000 0.284 111 T C -0.630 174.158 174.700 0.147 0.000 1.017 111 T CA -0.703 61.464 62.100 0.111 0.000 1.022 111 T CB 1.590 70.516 68.868 0.097 0.000 1.013 111 T HN 0.811 nan 8.240 nan 0.000 0.465 112 V N 2.414 122.452 119.914 0.207 0.000 2.284 112 V HA 0.631 4.751 4.120 -0.000 0.000 0.274 112 V C 0.813 176.985 176.094 0.130 0.000 1.023 112 V CA -0.199 62.214 62.300 0.188 0.000 0.808 112 V CB -0.160 31.815 31.823 0.254 0.000 1.035 112 V HN 1.558 nan 8.190 nan 0.000 0.445 113 A N 3.893 126.773 122.820 0.100 0.000 2.822 113 A HA 0.016 4.336 4.320 -0.000 0.000 0.287 113 A C 1.806 179.435 177.584 0.075 0.000 1.479 113 A CA 1.316 53.396 52.037 0.071 0.000 0.779 113 A CB -1.517 17.507 19.000 0.038 0.000 1.022 113 A HN 2.462 nan 8.150 nan 0.000 0.532 114 G N -3.683 105.173 108.800 0.094 0.000 2.253 114 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.251 114 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.251 114 G C 0.469 175.430 174.900 0.101 0.000 0.998 114 G CA 0.395 45.547 45.100 0.086 0.000 0.621 114 G HN 1.870 nan 8.290 nan 0.000 0.524 115 V N 4.077 124.075 119.914 0.140 0.000 2.432 115 V HA 0.424 4.544 4.120 -0.000 0.000 0.271 115 V C -1.291 174.930 176.094 0.212 0.000 1.046 115 V CA -1.273 61.142 62.300 0.191 0.000 0.945 115 V CB 1.282 33.271 31.823 0.277 0.000 0.992 115 V HN 0.280 nan 8.190 nan 0.000 0.471 116 P HA 0.058 nan 4.420 nan 0.000 0.267 116 P C -0.445 176.818 177.300 -0.063 0.000 1.205 116 P CA -0.178 62.949 63.100 0.045 0.000 0.765 116 P CB 0.682 32.386 31.700 0.007 0.000 0.828 117 M N 6.042 125.598 119.600 -0.074 0.000 2.120 117 M HA 0.323 4.803 4.480 -0.000 0.000 0.354 117 M C -2.393 173.696 176.300 -0.352 0.000 1.287 117 M CA -2.297 52.798 55.300 -0.343 0.000 1.103 117 M CB 0.769 33.400 32.600 0.052 0.000 1.623 117 M HN 0.084 nan 8.290 nan 0.000 0.471 118 P HA -0.017 nan 4.420 nan 0.000 0.261 118 P C -0.036 177.164 177.300 -0.167 0.000 1.183 118 P CA 0.073 62.988 63.100 -0.308 0.000 0.761 118 P CB 0.391 31.893 31.700 -0.330 0.000 0.785 119 R N 3.138 123.579 120.500 -0.098 0.000 2.117 119 R HA -0.190 4.150 4.340 -0.000 0.000 0.243 119 R C 1.131 177.389 176.300 -0.071 0.000 1.143 119 R CA 2.241 58.307 56.100 -0.056 0.000 0.968 119 R CB -0.892 29.383 30.300 -0.043 0.000 0.863 119 R HN 0.667 nan 8.270 nan 0.000 0.444 120 D N -0.898 119.453 120.400 -0.080 0.000 2.363 120 D HA -0.016 4.624 4.640 -0.000 0.000 0.220 120 D C 1.324 177.573 176.300 -0.086 0.000 0.994 120 D CA 0.812 54.764 54.000 -0.081 0.000 0.890 120 D CB 0.079 40.840 40.800 -0.065 0.000 0.906 120 D HN 0.127 nan 8.370 nan 0.000 0.530 121 A N 0.458 123.232 122.820 -0.076 0.000 2.030 121 A HA -0.002 4.318 4.320 -0.000 0.000 0.215 121 A C 1.986 179.541 177.584 -0.048 0.000 1.164 121 A CA 0.346 52.362 52.037 -0.034 0.000 0.697 121 A CB -0.316 18.695 19.000 0.019 0.000 0.827 121 A HN 0.150 nan 8.150 nan 0.000 0.457 122 E N 0.259 120.421 120.200 -0.064 0.000 2.049 122 E HA -0.165 4.184 4.350 -0.000 0.000 0.198 122 E C -0.809 175.591 176.600 -0.333 0.000 1.007 122 E CA 1.632 57.958 56.400 -0.123 0.000 0.809 122 E CB -0.799 28.816 29.700 -0.142 0.000 0.749 122 E HN 0.527 nan 8.360 nan 0.000 0.450 123 P HA -0.027 nan 4.420 nan 0.000 0.249 123 P C 0.194 177.064 177.300 -0.717 0.000 1.241 123 P CA 0.774 63.598 63.100 -0.460 0.000 0.781 123 P CB 0.113 31.635 31.700 -0.296 0.000 1.088 124 R N -1.021 119.117 120.500 -0.604 0.000 2.432 124 R HA 0.122 4.462 4.340 -0.000 0.000 0.260 124 R C -0.097 175.904 176.300 -0.498 0.000 0.935 124 R CA -0.334 55.437 56.100 -0.548 0.000 1.080 124 R CB -0.121 30.059 30.300 -0.199 0.000 1.155 124 R HN 0.308 nan 8.270 nan 0.000 0.531 125 H N -0.642 118.394 119.070 -0.057 0.000 4.618 125 H HA -0.198 4.358 4.556 -0.000 0.000 0.257 125 H C -0.981 174.486 175.328 0.232 0.000 0.545 125 H CA 0.469 56.520 56.048 0.005 0.000 0.688 125 H CB -0.561 29.026 29.762 -0.291 0.000 0.965 125 H HN 0.063 nan 8.280 nan 0.000 0.303 126 L N 1.675 123.205 121.223 0.512 0.000 2.409 126 L HA 0.522 4.862 4.340 -0.000 0.000 0.272 126 L C -1.278 175.812 176.870 0.366 0.000 0.980 126 L CA -0.756 54.333 54.840 0.414 0.000 0.826 126 L CB 1.561 43.806 42.059 0.309 0.000 1.268 126 L HN 0.500 nan 8.230 nan 0.000 0.407 127 L N 6.209 127.502 121.223 0.118 0.000 2.287 127 L HA 0.616 4.956 4.340 -0.000 0.000 0.287 127 L C -1.084 175.725 176.870 -0.103 0.000 1.022 127 L CA -0.238 54.449 54.840 -0.256 0.000 0.814 127 L CB 1.691 43.447 42.059 -0.504 0.000 1.217 127 L HN 0.410 nan 8.230 nan 0.000 0.420 128 V N 5.809 125.675 119.914 -0.080 0.000 2.304 128 V HA 0.333 4.453 4.120 -0.000 0.000 0.269 128 V C 0.189 176.260 176.094 -0.039 0.000 1.036 128 V CA -0.534 61.753 62.300 -0.022 0.000 0.840 128 V CB 0.636 32.479 31.823 0.032 0.000 1.036 128 V HN 0.818 nan 8.190 nan 0.000 0.466 129 N N 3.673 122.351 118.700 -0.037 0.000 2.422 129 N HA 0.673 5.413 4.740 -0.000 0.000 0.266 129 N C -0.089 175.420 175.510 -0.002 0.000 1.007 129 N CA -0.035 52.996 53.050 -0.032 0.000 0.941 129 N CB 1.319 39.780 38.487 -0.043 0.000 1.115 129 N HN 0.844 nan 8.380 nan 0.000 0.492 130 G N 1.192 109.995 108.800 0.004 0.000 2.596 130 G HA2 0.494 4.454 3.960 -0.000 0.000 0.296 130 G HA3 0.494 4.454 3.960 -0.000 0.000 0.296 130 G C -1.093 173.818 174.900 0.017 0.000 1.513 130 G CA -0.535 44.575 45.100 0.017 0.000 0.851 130 G HN 0.725 nan 8.290 nan 0.000 0.548 131 A N 0.680 123.511 122.820 0.019 0.000 2.387 131 A HA 0.677 4.997 4.320 -0.000 0.000 0.251 131 A C 1.089 178.685 177.584 0.021 0.000 1.113 131 A CA 0.459 52.508 52.037 0.018 0.000 0.794 131 A CB -0.187 18.823 19.000 0.017 0.000 1.069 131 A HN 1.233 nan 8.150 nan 0.000 0.506 132 T N 0.272 114.838 114.554 0.020 0.000 2.928 132 T HA 0.424 4.774 4.350 -0.000 0.000 0.305 132 T C 1.443 176.154 174.700 0.018 0.000 1.035 132 T CA 1.184 63.296 62.100 0.021 0.000 1.145 132 T CB 0.538 69.417 68.868 0.020 0.000 0.963 132 T HN 2.079 nan 8.240 nan 0.000 0.545 133 G N 2.295 111.106 108.800 0.018 0.000 2.179 133 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.260 133 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.260 133 G C 1.059 175.969 174.900 0.017 0.000 0.977 133 G CA 0.838 45.947 45.100 0.015 0.000 0.641 133 G HN 1.049 nan 8.290 nan 0.000 0.533 134 T N -2.013 112.553 114.554 0.020 0.000 3.072 134 T HA 0.397 4.747 4.350 -0.000 0.000 0.266 134 T C 2.255 176.969 174.700 0.023 0.000 1.127 134 T CA 1.718 63.831 62.100 0.022 0.000 1.107 134 T CB 0.148 69.031 68.868 0.026 0.000 0.910 134 T HN 2.246 nan 8.240 nan 0.000 0.513 135 G N 1.140 109.956 108.800 0.026 0.000 2.148 135 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.157 135 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.157 135 G C 0.717 175.642 174.900 0.042 0.000 1.012 135 G CA 0.155 45.273 45.100 0.031 0.000 0.677 135 G HN 0.486 nan 8.290 nan 0.000 0.506 136 K N 0.998 121.424 120.400 0.043 0.000 2.032 136 K HA -0.133 4.187 4.320 -0.000 0.000 0.209 136 K C 2.904 179.545 176.600 0.068 0.000 1.048 136 K CA 2.028 58.348 56.287 0.055 0.000 0.927 136 K CB -0.282 32.249 32.500 0.053 0.000 0.712 136 K HN 0.619 nan 8.250 nan 0.000 0.441 137 S N 0.958 116.691 115.700 0.055 0.000 2.368 137 S HA -0.122 4.348 4.470 -0.000 0.000 0.225 137 S C 2.228 176.860 174.600 0.054 0.000 1.030 137 S CA 1.312 59.542 58.200 0.050 0.000 0.999 137 S CB -0.783 62.433 63.200 0.026 0.000 0.844 137 S HN 0.036 nan 8.310 nan 0.000 0.459 138 V N 2.292 122.241 119.914 0.057 0.000 2.287 138 V HA -0.143 3.977 4.120 -0.000 0.000 0.248 138 V C 2.511 178.660 176.094 0.092 0.000 1.053 138 V CA 2.016 64.362 62.300 0.077 0.000 1.027 138 V CB -0.888 30.975 31.823 0.066 0.000 0.646 138 V HN 0.518 nan 8.190 nan 0.000 0.447 139 L N -0.958 120.315 121.223 0.084 0.000 2.046 139 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 139 L C 2.326 179.265 176.870 0.115 0.000 1.077 139 L CA 1.640 56.538 54.840 0.097 0.000 0.747 139 L CB -0.158 41.953 42.059 0.086 0.000 0.896 139 L HN 0.228 nan 8.230 nan 0.000 0.432 140 L N -0.242 121.054 121.223 0.122 0.000 2.093 140 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 140 L C 2.705 179.572 176.870 -0.006 0.000 1.085 140 L CA 1.609 56.541 54.840 0.153 0.000 0.755 140 L CB -0.719 41.459 42.059 0.198 0.000 0.904 140 L HN 0.223 nan 8.230 nan 0.000 0.435 141 R N -0.322 120.180 120.500 0.004 0.000 2.081 141 R HA -0.217 4.123 4.340 -0.000 0.000 0.235 141 R C 2.289 178.588 176.300 -0.000 0.000 1.131 141 R CA 1.722 57.812 56.100 -0.017 0.000 0.960 141 R CB -0.128 30.184 30.300 0.021 0.000 0.856 141 R HN 0.518 nan 8.270 nan 0.000 0.436 142 E N 0.431 120.696 120.200 0.108 0.000 2.051 142 E HA -0.217 4.133 4.350 -0.000 0.000 0.192 142 E C 2.085 178.734 176.600 0.080 0.000 0.991 142 E CA 1.058 57.573 56.400 0.192 0.000 0.799 142 E CB -0.169 29.645 29.700 0.191 0.000 0.748 142 E HN 0.385 nan 8.360 nan 0.000 0.449 143 L N 0.490 121.731 121.223 0.030 0.000 2.012 143 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 143 L C 2.653 179.386 176.870 -0.228 0.000 1.073 143 L CA 1.440 56.262 54.840 -0.030 0.000 0.748 143 L CB -0.431 41.706 42.059 0.129 0.000 0.891 143 L HN 0.315 nan 8.230 nan 0.000 0.431 144 A N -0.981 121.590 122.820 -0.415 0.000 1.877 144 A HA -0.321 3.999 4.320 -0.000 0.000 0.216 144 A C 2.123 179.359 177.584 -0.580 0.000 1.186 144 A CA 1.858 53.455 52.037 -0.733 0.000 0.620 144 A CB -1.066 17.327 19.000 -1.011 0.000 0.822 144 A HN 0.558 nan 8.150 nan 0.000 0.443 145 Y N 1.973 121.849 120.300 -0.707 0.000 2.081 145 Y HA -0.269 4.281 4.550 -0.000 0.000 0.280 145 Y C 2.856 178.535 175.900 -0.367 0.000 1.163 145 Y CA 2.681 60.337 58.100 -0.740 0.000 1.135 145 Y CB -1.052 37.142 38.460 -0.444 0.000 0.970 145 Y HN 0.432 nan 8.280 nan 0.000 0.498 146 T N -2.616 111.687 114.554 -0.418 0.000 3.007 146 T HA -0.008 4.342 4.350 -0.000 0.000 0.270 146 T C 2.071 176.574 174.700 -0.328 0.000 1.107 146 T CA 1.003 62.854 62.100 -0.414 0.000 1.118 146 T CB -1.000 67.763 68.868 -0.174 0.000 0.889 146 T HN 0.413 nan 8.240 nan 0.000 0.506 147 G N 0.994 109.575 108.800 -0.364 0.000 2.453 147 G HA2 0.156 4.116 3.960 -0.000 0.000 0.215 147 G HA3 0.156 4.116 3.960 -0.000 0.000 0.215 147 G C 1.447 176.223 174.900 -0.206 0.000 1.147 147 G CA 0.132 45.046 45.100 -0.310 0.000 0.802 147 G HN 0.508 nan 8.290 nan 0.000 0.535 148 L N 0.119 121.167 121.223 -0.292 0.000 2.072 148 L HA 0.096 4.436 4.340 -0.000 0.000 0.205 148 L C 2.758 179.517 176.870 -0.185 0.000 1.079 148 L CA 0.430 55.146 54.840 -0.207 0.000 0.752 148 L CB -0.329 41.570 42.059 -0.267 0.000 0.906 148 L HN 0.149 nan 8.230 nan 0.000 0.436 149 L N -0.376 120.661 121.223 -0.310 0.000 2.187 149 L HA -0.211 4.129 4.340 -0.000 0.000 0.213 149 L C 2.559 179.348 176.870 -0.135 0.000 1.100 149 L CA 1.111 55.798 54.840 -0.255 0.000 0.765 149 L CB -0.455 41.368 42.059 -0.393 0.000 0.904 149 L HN 0.270 nan 8.230 nan 0.000 0.437 150 R N 0.146 120.581 120.500 -0.110 0.000 2.310 150 R HA 0.042 4.382 4.340 -0.000 0.000 0.202 150 R C 1.112 177.411 176.300 -0.003 0.000 0.933 150 R CA 0.632 56.709 56.100 -0.037 0.000 1.054 150 R CB 0.221 30.521 30.300 -0.000 0.000 0.985 150 R HN 0.353 nan 8.270 nan 0.000 0.489 151 G N 1.383 110.176 108.800 -0.011 0.000 2.137 151 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.237 151 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.237 151 G C -0.811 174.122 174.900 0.055 0.000 1.002 151 G CA 0.303 45.413 45.100 0.017 0.000 0.702 151 G HN 0.423 nan 8.290 nan 0.000 0.515 152 D N -0.038 120.419 120.400 0.094 0.000 2.302 152 D HA 0.526 5.166 4.640 -0.000 0.000 0.248 152 D C 1.100 177.517 176.300 0.196 0.000 1.094 152 D CA -0.035 54.083 54.000 0.196 0.000 0.897 152 D CB 0.580 41.629 40.800 0.416 0.000 1.200 152 D HN 0.361 nan 8.370 nan 0.000 0.429 153 R N 1.748 122.362 120.500 0.190 0.000 2.500 153 R HA 0.703 5.043 4.340 -0.000 0.000 0.275 153 R C 0.006 176.484 176.300 0.297 0.000 1.051 153 R CA -0.509 55.694 56.100 0.171 0.000 1.088 153 R CB 0.878 31.203 30.300 0.042 0.000 1.063 153 R HN 0.551 nan 8.270 nan 0.000 0.511 154 M N -1.370 118.413 119.600 0.304 0.000 2.643 154 M HA 0.391 4.871 4.480 -0.000 0.000 0.276 154 M C -1.608 174.870 176.300 0.295 0.000 1.200 154 M CA -1.152 54.374 55.300 0.377 0.000 0.863 154 M CB 1.815 34.694 32.600 0.466 0.000 1.711 154 M HN 0.181 nan 8.290 nan 0.000 0.492 155 V N 2.724 122.818 119.914 0.299 0.000 2.459 155 V HA 0.618 4.738 4.120 -0.000 0.000 0.295 155 V C -0.527 175.656 176.094 0.148 0.000 1.029 155 V CA -0.436 61.951 62.300 0.145 0.000 0.874 155 V CB 1.793 33.722 31.823 0.176 0.000 0.985 155 V HN 0.724 nan 8.190 nan 0.000 0.438 156 I N 4.607 125.152 120.570 -0.041 0.000 2.418 156 I HA 0.351 4.521 4.170 -0.000 0.000 0.287 156 I C -0.350 175.836 176.117 0.116 0.000 1.008 156 I CA -0.870 60.459 61.300 0.048 0.000 1.104 156 I CB 2.196 40.090 38.000 -0.177 0.000 1.264 156 I HN 0.262 nan 8.210 nan 0.000 0.438 157 V N 4.627 124.682 119.914 0.234 0.000 2.326 157 V HA 0.046 4.165 4.120 -0.000 0.000 0.249 157 V C -0.140 176.119 176.094 0.275 0.000 1.114 157 V CA 0.092 62.598 62.300 0.344 0.000 1.028 157 V CB 0.199 32.247 31.823 0.374 0.000 1.170 157 V HN 0.630 nan 8.190 nan 0.000 0.494 158 D N 7.091 127.595 120.400 0.172 0.000 2.473 158 D HA 0.355 4.994 4.640 -0.000 0.000 0.226 158 D C -2.688 173.343 176.300 -0.448 0.000 1.089 158 D CA -2.178 51.803 54.000 -0.032 0.000 0.883 158 D CB 1.645 42.525 40.800 0.133 0.000 1.029 158 D HN 0.253 nan 8.370 nan 0.000 0.517 159 P HA 0.154 nan 4.420 nan 0.000 0.271 159 P C -0.338 176.552 177.300 -0.684 0.000 1.226 159 P CA -0.081 62.301 63.100 -1.198 0.000 0.765 159 P CB 0.440 31.751 31.700 -0.648 0.000 0.835 160 N N 2.656 120.923 118.700 -0.723 0.000 2.741 160 N HA -0.183 4.557 4.740 -0.000 0.000 0.251 160 N C 0.821 176.176 175.510 -0.258 0.000 1.112 160 N CA 1.506 54.316 53.050 -0.400 0.000 0.750 160 N CB -1.914 36.398 38.487 -0.292 0.000 1.119 160 N HN 0.844 nan 8.380 nan 0.000 0.561 161 G N 0.622 109.274 108.800 -0.246 0.000 2.361 161 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.294 161 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.294 161 G C 0.684 175.487 174.900 -0.160 0.000 1.004 161 G CA 1.375 46.391 45.100 -0.141 0.000 0.870 161 G HN 0.670 nan 8.290 nan 0.000 0.510 162 D N -0.489 119.807 120.400 -0.173 0.000 2.097 162 D HA -0.080 4.560 4.640 -0.000 0.000 0.195 162 D C 2.498 178.660 176.300 -0.229 0.000 0.989 162 D CA 1.590 55.480 54.000 -0.183 0.000 0.827 162 D CB -0.123 40.579 40.800 -0.163 0.000 0.966 162 D HN 0.434 nan 8.370 nan 0.000 0.456 163 M N -0.386 119.132 119.600 -0.138 0.000 2.394 163 M HA -0.014 4.466 4.480 -0.000 0.000 0.264 163 M C 1.927 178.165 176.300 -0.103 0.000 1.073 163 M CA 0.368 55.612 55.300 -0.092 0.000 1.111 163 M CB -0.138 32.575 32.600 0.188 0.000 1.401 163 M HN 0.220 nan 8.290 nan 0.000 0.448 164 L N 0.631 121.697 121.223 -0.262 0.000 2.027 164 L HA -0.139 4.201 4.340 -0.000 0.000 0.206 164 L C 2.637 179.191 176.870 -0.528 0.000 1.074 164 L CA 2.340 56.694 54.840 -0.810 0.000 0.745 164 L CB -0.857 40.844 42.059 -0.596 0.000 0.898 164 L HN 0.331 nan 8.230 nan 0.000 0.433 165 S N -1.113 114.376 115.700 -0.352 0.000 2.400 165 S HA -0.172 4.298 4.470 -0.000 0.000 0.232 165 S C 1.910 176.327 174.600 -0.304 0.000 1.025 165 S CA 1.060 59.095 58.200 -0.275 0.000 0.993 165 S CB -0.498 62.579 63.200 -0.206 0.000 0.808 165 S HN 0.478 nan 8.310 nan 0.000 0.478 166 K N 0.370 120.486 120.400 -0.472 0.000 2.128 166 K HA 0.206 4.526 4.320 -0.000 0.000 0.202 166 K C 0.987 177.277 176.600 -0.517 0.000 1.050 166 K CA 0.785 56.684 56.287 -0.647 0.000 0.966 166 K CB -0.353 31.392 32.500 -1.258 0.000 0.759 166 K HN 0.573 nan 8.250 nan 0.000 0.454 167 F N 0.546 120.435 119.950 -0.101 0.000 2.682 167 F HA 0.310 4.837 4.527 -0.000 0.000 0.308 167 F C 1.147 176.948 175.800 0.002 0.000 1.093 167 F CA -1.168 56.833 58.000 0.001 0.000 1.244 167 F CB -0.376 38.669 39.000 0.076 0.000 1.052 167 F HN -0.176 nan 8.300 nan 0.000 0.573 168 G N 1.824 110.544 108.800 -0.133 0.000 2.346 168 G HA2 0.366 4.326 3.960 -0.000 0.000 0.275 168 G HA3 0.366 4.326 3.960 -0.000 0.000 0.275 168 G C 0.204 175.071 174.900 -0.054 0.000 1.190 168 G CA -0.324 44.609 45.100 -0.277 0.000 1.015 168 G HN 0.149 nan 8.290 nan 0.000 0.441 169 R N 1.706 122.245 120.500 0.064 0.000 2.541 169 R HA 0.273 4.613 4.340 -0.000 0.000 0.254 169 R C 1.235 177.559 176.300 0.039 0.000 1.130 169 R CA -0.811 55.330 56.100 0.068 0.000 1.152 169 R CB 0.793 31.160 30.300 0.112 0.000 1.222 169 R HN 0.469 nan 8.270 nan 0.000 0.579 170 D N 0.987 121.410 120.400 0.038 0.000 2.149 170 D HA -0.127 4.513 4.640 -0.000 0.000 0.201 170 D C 0.881 177.208 176.300 0.046 0.000 0.972 170 D CA 1.178 55.194 54.000 0.026 0.000 0.835 170 D CB 0.354 41.168 40.800 0.023 0.000 0.966 170 D HN 0.472 nan 8.370 nan 0.000 0.476 171 K N 0.274 120.720 120.400 0.076 0.000 2.525 171 K HA 0.026 4.346 4.320 -0.000 0.000 0.192 171 K C 0.085 176.772 176.600 0.145 0.000 1.029 171 K CA 0.059 56.407 56.287 0.102 0.000 1.029 171 K CB 0.330 32.895 32.500 0.108 0.000 0.814 171 K HN -0.097 nan 8.250 nan 0.000 0.503 172 D N 1.397 121.883 120.400 0.143 0.000 2.329 172 D HA 0.172 4.812 4.640 -0.000 0.000 0.246 172 D C 0.155 176.514 176.300 0.099 0.000 1.111 172 D CA -0.322 53.800 54.000 0.203 0.000 0.941 172 D CB 0.961 41.942 40.800 0.303 0.000 1.169 172 D HN -0.032 nan 8.370 nan 0.000 0.441 173 I N 1.533 122.140 120.570 0.061 0.000 2.428 173 I HA 0.362 4.532 4.170 -0.000 0.000 0.296 173 I C 0.436 176.451 176.117 -0.171 0.000 0.985 173 I CA -0.462 60.715 61.300 -0.205 0.000 1.260 173 I CB 0.904 38.567 38.000 -0.561 0.000 1.389 173 I HN 0.173 nan 8.210 nan 0.000 0.484 174 I N 6.194 126.604 120.570 -0.267 0.000 2.466 174 I HA 0.373 4.543 4.170 -0.000 0.000 0.289 174 I C -0.769 175.152 176.117 -0.327 0.000 1.026 174 I CA -0.531 60.655 61.300 -0.191 0.000 1.078 174 I CB 2.328 40.259 38.000 -0.114 0.000 1.249 174 I HN 0.229 nan 8.210 nan 0.000 0.429 175 L N 6.625 127.630 121.223 -0.363 0.000 2.318 175 L HA 0.527 4.867 4.340 -0.000 0.000 0.277 175 L C -0.727 176.030 176.870 -0.188 0.000 1.008 175 L CA -0.327 54.162 54.840 -0.584 0.000 0.846 175 L CB 1.224 42.475 42.059 -1.347 0.000 1.220 175 L HN 0.561 nan 8.230 nan 0.000 0.423 176 N N 5.445 124.184 118.700 0.065 0.000 2.839 176 N HA 0.170 4.910 4.740 -0.000 0.000 0.258 176 N C -2.374 173.303 175.510 0.279 0.000 1.150 176 N CA -1.044 52.197 53.050 0.317 0.000 0.957 176 N CB 2.497 41.170 38.487 0.311 0.000 1.560 176 N HN 0.095 nan 8.380 nan 0.000 0.588 177 P HA -0.093 nan 4.420 nan 0.000 0.223 177 P C 0.255 177.416 177.300 -0.231 0.000 1.144 177 P CA 1.269 64.360 63.100 -0.016 0.000 0.783 177 P CB 0.115 31.716 31.700 -0.164 0.000 0.771 178 Y N -1.269 119.178 120.300 0.244 0.000 2.467 178 Y HA 0.274 4.824 4.550 -0.000 0.000 0.250 178 Y C 0.973 177.069 175.900 0.327 0.000 1.155 178 Y CA -0.642 57.629 58.100 0.284 0.000 1.249 178 Y CB 0.130 38.782 38.460 0.321 0.000 1.146 178 Y HN -0.071 nan 8.280 nan 0.000 0.524 179 D N 0.855 121.467 120.400 0.352 0.000 2.198 179 D HA 0.029 4.669 4.640 -0.000 0.000 0.245 179 D C 0.686 176.972 176.300 -0.023 0.000 1.079 179 D CA -0.056 54.000 54.000 0.094 0.000 0.854 179 D CB 1.676 42.582 40.800 0.176 0.000 1.148 179 D HN 0.226 nan 8.370 nan 0.000 0.456 180 Q N 2.866 122.591 119.800 -0.125 0.000 2.291 180 Q HA -0.107 4.233 4.340 -0.000 0.000 0.205 180 Q C 1.196 177.153 176.000 -0.073 0.000 0.970 180 Q CA 1.081 56.831 55.803 -0.088 0.000 0.876 180 Q CB 0.309 28.980 28.738 -0.111 0.000 0.935 180 Q HN 0.400 nan 8.270 nan 0.000 0.455 181 R N -0.284 120.163 120.500 -0.087 0.000 2.313 181 R HA 0.061 4.401 4.340 -0.000 0.000 0.199 181 R C 0.759 177.006 176.300 -0.088 0.000 0.958 181 R CA 0.237 56.287 56.100 -0.083 0.000 1.047 181 R CB 0.081 30.323 30.300 -0.095 0.000 0.955 181 R HN 0.032 nan 8.270 nan 0.000 0.481 182 T N 1.137 115.650 114.554 -0.069 0.000 2.900 182 T HA 0.035 4.385 4.350 -0.000 0.000 0.307 182 T C 0.250 174.882 174.700 -0.113 0.000 1.065 182 T CA -0.190 61.852 62.100 -0.096 0.000 1.105 182 T CB 0.535 69.386 68.868 -0.028 0.000 0.979 182 T HN -0.082 nan 8.240 nan 0.000 0.544 183 K N 2.378 122.651 120.400 -0.212 0.000 2.107 183 K HA 0.423 4.743 4.320 -0.000 0.000 0.251 183 K C 0.638 177.245 176.600 0.013 0.000 1.012 183 K CA -0.450 55.733 56.287 -0.174 0.000 0.920 183 K CB 0.730 32.923 32.500 -0.511 0.000 1.033 183 K HN 0.779 nan 8.250 nan 0.000 0.478 184 G N 0.127 109.004 108.800 0.128 0.000 2.420 184 G HA2 0.385 4.345 3.960 -0.000 0.000 0.284 184 G HA3 0.385 4.345 3.960 -0.000 0.000 0.284 184 G C -1.407 173.737 174.900 0.407 0.000 1.177 184 G CA -0.371 44.858 45.100 0.216 0.000 0.841 184 G HN 0.629 nan 8.290 nan 0.000 0.527 185 W N 1.075 122.498 121.300 0.205 0.000 3.275 185 W HA 0.539 5.199 4.660 -0.000 0.000 0.306 185 W C -0.769 175.935 176.519 0.307 0.000 1.259 185 W CA -0.516 56.995 57.345 0.275 0.000 1.194 185 W CB 1.562 31.235 29.460 0.354 0.000 1.375 185 W HN 1.024 nan 8.180 nan 0.000 0.564 186 S N 3.248 118.556 115.700 -0.654 0.000 2.537 186 S HA 0.320 4.790 4.470 -0.000 0.000 0.271 186 S C -0.021 173.740 174.600 -1.399 0.000 1.148 186 S CA -0.337 57.440 58.200 -0.706 0.000 0.868 186 S CB 0.356 63.516 63.200 -0.067 0.000 1.115 186 S HN 1.145 nan 8.310 nan 0.000 0.461 187 F N 1.403 120.601 119.950 -1.255 0.000 2.449 187 F HA 0.188 4.715 4.527 -0.000 0.000 0.299 187 F C 1.079 176.562 175.800 -0.528 0.000 1.092 187 F CA 0.313 57.839 58.000 -0.790 0.000 1.446 187 F CB -0.964 37.836 39.000 -0.334 0.000 1.084 187 F HN 0.504 nan 8.300 nan 0.000 0.567 188 F N 1.731 120.984 119.950 -1.163 0.000 2.202 188 F HA -0.174 4.353 4.527 -0.000 0.000 0.301 188 F C 1.938 177.396 175.800 -0.571 0.000 1.082 188 F CA 1.492 58.967 58.000 -0.875 0.000 1.313 188 F CB -0.934 37.734 39.000 -0.554 0.000 1.024 188 F HN 0.047 nan 8.300 nan 0.000 0.495 189 N N 0.125 118.624 118.700 -0.335 0.000 2.573 189 N HA -0.107 4.633 4.740 -0.000 0.000 0.187 189 N C 1.192 176.548 175.510 -0.256 0.000 1.107 189 N CA 0.720 53.625 53.050 -0.242 0.000 0.918 189 N CB -0.269 38.102 38.487 -0.194 0.000 0.966 189 N HN 0.352 nan 8.380 nan 0.000 0.448 190 E N 0.002 119.974 120.200 -0.380 0.000 2.476 190 E HA 0.133 4.483 4.350 -0.000 0.000 0.199 190 E C 0.280 176.594 176.600 -0.478 0.000 1.021 190 E CA -0.147 55.969 56.400 -0.473 0.000 0.907 190 E CB 0.712 29.902 29.700 -0.850 0.000 0.974 190 E HN 0.201 nan 8.360 nan 0.000 0.489 191 I N 2.467 122.758 120.570 -0.465 0.000 2.436 191 I HA 0.074 4.244 4.170 -0.000 0.000 0.289 191 I C 1.394 177.328 176.117 -0.306 0.000 1.083 191 I CA 0.252 61.252 61.300 -0.499 0.000 1.372 191 I CB 0.519 37.983 38.000 -0.893 0.000 1.408 191 I HN -0.112 nan 8.210 nan 0.000 0.516 192 R N 4.107 124.481 120.500 -0.209 0.000 2.107 192 R HA 0.264 4.604 4.340 -0.000 0.000 0.195 192 R C 0.412 176.670 176.300 -0.070 0.000 1.214 192 R CA 0.300 56.339 56.100 -0.101 0.000 1.129 192 R CB -0.023 30.258 30.300 -0.031 0.000 1.045 192 R HN 0.557 nan 8.270 nan 0.000 0.489 193 N N 1.016 119.687 118.700 -0.049 0.000 2.502 193 N HA 0.024 4.764 4.740 -0.000 0.000 0.280 193 N C 0.287 175.793 175.510 -0.008 0.000 1.223 193 N CA -0.218 52.851 53.050 0.033 0.000 0.966 193 N CB 1.011 39.599 38.487 0.169 0.000 1.203 193 N HN 0.002 nan 8.380 nan 0.000 0.565 194 D N -0.508 119.968 120.400 0.126 0.000 2.219 194 D HA -0.168 4.472 4.640 -0.000 0.000 0.205 194 D C 1.659 178.106 176.300 0.245 0.000 0.970 194 D CA 1.041 55.178 54.000 0.228 0.000 0.851 194 D CB -0.008 40.946 40.800 0.256 0.000 0.943 194 D HN 0.636 nan 8.370 nan 0.000 0.488 195 Y N -0.312 120.047 120.300 0.098 0.000 2.561 195 Y HA 0.070 4.620 4.550 -0.000 0.000 0.291 195 Y C 1.187 177.125 175.900 0.064 0.000 1.141 195 Y CA 0.617 58.771 58.100 0.091 0.000 1.303 195 Y CB -0.221 38.269 38.460 0.049 0.000 1.015 195 Y HN -0.149 nan 8.280 nan 0.000 0.547 196 D N 0.329 120.359 120.400 -0.616 0.000 2.310 196 D HA -0.168 4.472 4.640 -0.000 0.000 0.212 196 D C 1.223 177.400 176.300 -0.205 0.000 0.965 196 D CA 1.106 54.774 54.000 -0.554 0.000 0.879 196 D CB -0.460 40.148 40.800 -0.319 0.000 0.921 196 D HN 0.595 nan 8.370 nan 0.000 0.510 197 W N 1.059 122.359 121.300 0.000 0.000 2.378 197 W HA -0.171 4.489 4.660 -0.000 0.000 0.313 197 W C 2.717 179.270 176.519 0.057 0.000 1.197 197 W CA 0.387 57.785 57.345 0.088 0.000 1.304 197 W CB -0.332 29.178 29.460 0.083 0.000 1.148 197 W HN -0.051 nan 8.180 nan 0.000 0.494 198 Q N 1.178 121.124 119.800 0.242 0.000 2.079 198 Q HA -0.172 4.168 4.340 -0.000 0.000 0.200 198 Q C 2.166 178.178 176.000 0.021 0.000 0.974 198 Q CA 1.808 57.690 55.803 0.132 0.000 0.840 198 Q CB -0.528 28.282 28.738 0.122 0.000 0.898 198 Q HN 0.198 nan 8.270 nan 0.000 0.430 199 R N -1.172 119.260 120.500 -0.113 0.000 2.112 199 R HA -0.214 4.126 4.340 -0.000 0.000 0.242 199 R C 1.467 177.521 176.300 -0.410 0.000 1.137 199 R CA 2.057 57.955 56.100 -0.336 0.000 0.944 199 R CB -0.374 29.503 30.300 -0.704 0.000 0.857 199 R HN 0.410 nan 8.270 nan 0.000 0.435 200 Y N -0.747 119.564 120.300 0.018 0.000 2.523 200 Y HA 0.232 4.782 4.550 -0.000 0.000 0.279 200 Y C 2.015 177.929 175.900 0.024 0.000 1.139 200 Y CA 0.392 58.539 58.100 0.078 0.000 1.296 200 Y CB 0.060 38.615 38.460 0.157 0.000 1.045 200 Y HN 0.222 nan 8.280 nan 0.000 0.538 201 A N -0.376 122.503 122.820 0.098 0.000 1.968 201 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 201 A C 1.971 179.542 177.584 -0.022 0.000 1.169 201 A CA 1.084 53.112 52.037 -0.015 0.000 0.638 201 A CB -0.649 18.380 19.000 0.050 0.000 0.812 201 A HN 0.329 nan 8.150 nan 0.000 0.446 202 L N 0.011 121.234 121.223 -0.000 0.000 2.201 202 L HA -0.051 4.289 4.340 -0.000 0.000 0.212 202 L C 2.520 179.399 176.870 0.014 0.000 1.105 202 L CA 1.904 56.742 54.840 -0.004 0.000 0.775 202 L CB -0.738 41.310 42.059 -0.018 0.000 0.913 202 L HN 0.339 nan 8.230 nan 0.000 0.440 203 S N -1.675 114.057 115.700 0.053 0.000 2.388 203 S HA -0.058 4.412 4.470 -0.000 0.000 0.223 203 S C 2.001 176.652 174.600 0.086 0.000 1.034 203 S CA 0.951 59.222 58.200 0.119 0.000 0.963 203 S CB -0.095 63.274 63.200 0.281 0.000 0.827 203 S HN 0.221 nan 8.310 nan 0.000 0.481 204 V N 1.498 121.419 119.914 0.013 0.000 2.358 204 V HA -0.000 4.120 4.120 -0.000 0.000 0.246 204 V C 0.758 176.811 176.094 -0.069 0.000 1.047 204 V CA 1.000 63.243 62.300 -0.095 0.000 1.035 204 V CB -0.356 31.209 31.823 -0.428 0.000 0.658 204 V HN 0.274 nan 8.190 nan 0.000 0.452 205 V N 3.374 123.252 119.914 -0.060 0.000 2.257 205 V HA 0.311 4.431 4.120 -0.000 0.000 0.269 205 V C -2.096 173.989 176.094 -0.014 0.000 1.040 205 V CA -1.718 60.566 62.300 -0.027 0.000 0.813 205 V CB 0.779 32.591 31.823 -0.020 0.000 1.065 205 V HN 0.320 nan 8.190 nan 0.000 0.457 206 P HA 0.142 nan 4.420 nan 0.000 0.271 206 P C -0.152 177.120 177.300 -0.046 0.000 1.244 206 P CA -0.528 62.556 63.100 -0.028 0.000 0.793 206 P CB 0.739 32.415 31.700 -0.039 0.000 0.984 207 R N 0.075 120.534 120.500 -0.069 0.000 2.585 207 R HA 0.157 4.497 4.340 -0.000 0.000 0.275 207 R C 1.078 177.316 176.300 -0.105 0.000 1.018 207 R CA 0.410 56.459 56.100 -0.085 0.000 1.072 207 R CB -0.926 29.314 30.300 -0.099 0.000 0.953 207 R HN 0.630 nan 8.270 nan 0.000 0.419 208 G N 1.550 110.292 108.800 -0.098 0.000 2.491 208 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.242 208 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.242 208 G C 0.917 175.741 174.900 -0.128 0.000 1.266 208 G CA -0.378 44.658 45.100 -0.107 0.000 0.844 208 G HN 0.655 nan 8.290 nan 0.000 0.571 209 K N -0.031 120.299 120.400 -0.116 0.000 2.032 209 K HA -0.086 4.234 4.320 -0.000 0.000 0.209 209 K C 1.448 177.981 176.600 -0.112 0.000 1.048 209 K CA 1.641 57.861 56.287 -0.112 0.000 0.927 209 K CB -0.190 32.261 32.500 -0.081 0.000 0.712 209 K HN 0.646 nan 8.250 nan 0.000 0.441 210 T N -1.997 112.472 114.554 -0.142 0.000 2.950 210 T HA 0.175 4.525 4.350 -0.000 0.000 0.288 210 T C 0.472 175.050 174.700 -0.203 0.000 1.035 210 T CA -0.934 61.072 62.100 -0.157 0.000 1.028 210 T CB 1.489 70.252 68.868 -0.174 0.000 1.109 210 T HN -0.058 nan 8.240 nan 0.000 0.514 211 D N 0.174 120.467 120.400 -0.178 0.000 2.158 211 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 211 D C 1.707 177.833 176.300 -0.290 0.000 0.995 211 D CA 1.467 55.355 54.000 -0.186 0.000 0.846 211 D CB 0.021 40.739 40.800 -0.135 0.000 0.941 211 D HN 0.866 nan 8.370 nan 0.000 0.456 212 E N 0.030 119.998 120.200 -0.386 0.000 2.072 212 E HA -0.064 4.286 4.350 -0.000 0.000 0.190 212 E C 1.997 177.926 176.600 -1.117 0.000 0.982 212 E CA 0.759 56.761 56.400 -0.663 0.000 0.803 212 E CB 0.048 29.377 29.700 -0.618 0.000 0.755 212 E HN 0.151 nan 8.360 nan 0.000 0.453 213 A N 1.037 123.349 122.820 -0.846 0.000 1.972 213 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 213 A C 2.006 179.384 177.584 -0.343 0.000 1.169 213 A CA 1.816 53.473 52.037 -0.633 0.000 0.635 213 A CB -0.488 18.347 19.000 -0.276 0.000 0.810 213 A HN 0.300 nan 8.150 nan 0.000 0.446 214 E N 0.319 120.331 120.200 -0.313 0.000 2.152 214 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 214 E C 1.883 178.340 176.600 -0.238 0.000 0.983 214 E CA 1.441 57.718 56.400 -0.204 0.000 0.818 214 E CB -0.306 29.292 29.700 -0.170 0.000 0.758 214 E HN 0.700 nan 8.360 nan 0.000 0.467 215 E N -0.613 119.371 120.200 -0.360 0.000 2.077 215 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 215 E C 1.389 177.728 176.600 -0.435 0.000 0.989 215 E CA 1.393 57.544 56.400 -0.415 0.000 0.800 215 E CB -0.225 29.252 29.700 -0.371 0.000 0.746 215 E HN 0.393 nan 8.360 nan 0.000 0.452 216 W N 0.332 121.514 121.300 -0.196 0.000 2.388 216 W HA 0.041 4.701 4.660 -0.000 0.000 0.294 216 W C 2.399 178.911 176.519 -0.011 0.000 1.212 216 W CA 0.757 58.093 57.345 -0.015 0.000 1.271 216 W CB -1.195 28.321 29.460 0.093 0.000 1.126 216 W HN 0.202 nan 8.180 nan 0.000 0.535 217 A N 0.083 122.992 122.820 0.148 0.000 1.933 217 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 217 A C 2.290 179.901 177.584 0.045 0.000 1.175 217 A CA 2.296 54.387 52.037 0.091 0.000 0.628 217 A CB -1.117 17.896 19.000 0.023 0.000 0.814 217 A HN 0.182 nan 8.150 nan 0.000 0.444 218 S N -1.368 114.294 115.700 -0.064 0.000 2.359 218 S HA -0.197 4.273 4.470 -0.000 0.000 0.224 218 S C 1.956 176.598 174.600 0.070 0.000 1.035 218 S CA 1.811 59.965 58.200 -0.076 0.000 1.018 218 S CB -0.563 62.502 63.200 -0.226 0.000 0.876 218 S HN 0.588 nan 8.310 nan 0.000 0.448 219 Y N 1.705 122.123 120.300 0.197 0.000 2.224 219 Y HA 0.092 4.642 4.550 -0.000 0.000 0.289 219 Y C 2.858 178.924 175.900 0.277 0.000 1.146 219 Y CA 0.375 58.651 58.100 0.294 0.000 1.182 219 Y CB -1.473 37.207 38.460 0.366 0.000 0.983 219 Y HN 0.382 nan 8.280 nan 0.000 0.524 220 G N -0.072 108.926 108.800 0.329 0.000 2.422 220 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.218 220 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.218 220 G C 1.829 176.814 174.900 0.141 0.000 1.146 220 G CA 0.745 45.961 45.100 0.194 0.000 0.769 220 G HN 0.313 nan 8.290 nan 0.000 0.547 221 R N -0.541 120.032 120.500 0.123 0.000 2.092 221 R HA 0.047 4.387 4.340 -0.000 0.000 0.231 221 R C 2.465 178.833 176.300 0.113 0.000 1.119 221 R CA 1.007 57.155 56.100 0.080 0.000 0.970 221 R CB -0.548 29.786 30.300 0.056 0.000 0.864 221 R HN 0.389 nan 8.270 nan 0.000 0.440 222 L N 1.224 122.546 121.223 0.166 0.000 2.017 222 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 222 L C 2.112 179.102 176.870 0.201 0.000 1.073 222 L CA 1.543 56.475 54.840 0.155 0.000 0.745 222 L CB -0.574 41.572 42.059 0.144 0.000 0.894 222 L HN 0.111 nan 8.230 nan 0.000 0.432 223 L N -1.062 120.353 121.223 0.321 0.000 2.083 223 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 223 L C 2.248 179.194 176.870 0.127 0.000 1.083 223 L CA 1.798 56.795 54.840 0.262 0.000 0.752 223 L CB -0.716 41.419 42.059 0.127 0.000 0.899 223 L HN 0.429 nan 8.230 nan 0.000 0.433 224 L N 0.151 121.430 121.223 0.093 0.000 2.023 224 L HA -0.149 4.191 4.340 -0.000 0.000 0.205 224 L C 2.855 179.764 176.870 0.066 0.000 1.073 224 L CA 2.161 57.030 54.840 0.048 0.000 0.745 224 L CB -0.766 41.276 42.059 -0.028 0.000 0.900 224 L HN 0.488 nan 8.230 nan 0.000 0.435 225 R N -1.187 119.355 120.500 0.069 0.000 2.092 225 R HA -0.107 4.233 4.340 -0.000 0.000 0.231 225 R C 1.754 177.961 176.300 -0.154 0.000 1.119 225 R CA 1.408 57.538 56.100 0.050 0.000 0.970 225 R CB -0.694 29.682 30.300 0.126 0.000 0.864 225 R HN 0.323 nan 8.270 nan 0.000 0.440 226 E N 0.681 120.833 120.200 -0.079 0.000 2.107 226 E HA -0.056 4.294 4.350 -0.000 0.000 0.191 226 E C 1.986 178.520 176.600 -0.110 0.000 0.982 226 E CA 1.623 57.945 56.400 -0.130 0.000 0.809 226 E CB -0.279 29.386 29.700 -0.058 0.000 0.756 226 E HN 0.393 nan 8.360 nan 0.000 0.459 227 T N 1.239 115.804 114.554 0.019 0.000 2.737 227 T HA -0.061 4.289 4.350 -0.000 0.000 0.265 227 T C 1.937 176.729 174.700 0.154 0.000 1.038 227 T CA 1.446 63.643 62.100 0.162 0.000 1.144 227 T CB -0.162 68.826 68.868 0.199 0.000 0.866 227 T HN 0.243 nan 8.240 nan 0.000 0.434 228 A N 1.619 124.496 122.820 0.096 0.000 1.898 228 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 228 A C 2.233 179.723 177.584 -0.155 0.000 1.181 228 A CA 1.659 53.810 52.037 0.190 0.000 0.620 228 A CB -0.528 18.626 19.000 0.256 0.000 0.819 228 A HN 0.406 nan 8.150 nan 0.000 0.442 229 K N -0.073 119.878 120.400 -0.747 0.000 2.044 229 K HA -0.244 4.076 4.320 -0.000 0.000 0.210 229 K C 2.203 178.592 176.600 -0.353 0.000 1.049 229 K CA 2.065 57.722 56.287 -1.050 0.000 0.927 229 K CB -0.201 31.699 32.500 -1.000 0.000 0.713 229 K HN 0.484 nan 8.250 nan 0.000 0.443 230 K N 0.674 120.940 120.400 -0.224 0.000 2.057 230 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 230 K C 2.217 178.819 176.600 0.003 0.000 1.050 230 K CA 1.000 57.195 56.287 -0.153 0.000 0.935 230 K CB -0.054 32.251 32.500 -0.324 0.000 0.715 230 K HN 0.130 nan 8.250 nan 0.000 0.439 231 L N 0.494 121.801 121.223 0.140 0.000 2.131 231 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 231 L C 2.574 179.476 176.870 0.053 0.000 1.092 231 L CA 1.166 56.105 54.840 0.164 0.000 0.759 231 L CB -0.485 41.709 42.059 0.225 0.000 0.903 231 L HN 0.309 nan 8.230 nan 0.000 0.435 232 A N -0.109 122.761 122.820 0.083 0.000 1.898 232 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 232 A C 2.267 179.883 177.584 0.054 0.000 1.181 232 A CA 1.151 53.234 52.037 0.077 0.000 0.620 232 A CB -0.583 18.632 19.000 0.358 0.000 0.819 232 A HN 0.309 nan 8.150 nan 0.000 0.442 233 L N 0.069 121.318 121.223 0.043 0.000 1.989 233 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 233 L C 2.470 179.343 176.870 0.005 0.000 1.071 233 L CA 2.003 56.854 54.840 0.018 0.000 0.749 233 L CB -0.525 41.520 42.059 -0.023 0.000 0.890 233 L HN 0.693 nan 8.230 nan 0.000 0.431 234 I N -2.689 117.883 120.570 0.003 0.000 3.241 234 I HA 0.078 4.248 4.170 -0.000 0.000 0.280 234 I C 1.338 177.463 176.117 0.013 0.000 1.320 234 I CA 0.819 62.126 61.300 0.012 0.000 1.413 234 I CB -0.712 37.310 38.000 0.037 0.000 1.060 234 I HN 0.407 nan 8.210 nan 0.000 0.500 235 G N 1.857 110.656 108.800 -0.001 0.000 2.179 235 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.260 235 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.260 235 G C 0.483 175.355 174.900 -0.047 0.000 0.977 235 G CA 0.463 45.551 45.100 -0.021 0.000 0.641 235 G HN 0.711 nan 8.290 nan 0.000 0.533 236 T N -0.345 114.187 114.554 -0.037 0.000 3.368 236 T HA 0.605 4.955 4.350 -0.000 0.000 0.321 236 T C -2.101 172.509 174.700 -0.149 0.000 1.830 236 T CA -1.256 60.810 62.100 -0.056 0.000 1.494 236 T CB 1.844 70.724 68.868 0.020 0.000 1.045 236 T HN 0.245 nan 8.240 nan 0.000 0.729 237 P HA 0.236 nan 4.420 nan 0.000 0.237 237 P C -0.307 176.575 177.300 -0.697 0.000 1.788 237 P CA -0.024 62.501 63.100 -0.959 0.000 1.061 237 P CB 0.059 30.996 31.700 -1.271 0.000 1.967 238 S N 2.391 117.959 115.700 -0.220 0.000 2.451 238 S HA 0.369 4.839 4.470 -0.000 0.000 0.301 238 S C 1.398 176.126 174.600 0.214 0.000 1.116 238 S CA -0.682 57.518 58.200 -0.000 0.000 1.093 238 S CB 0.568 63.786 63.200 0.030 0.000 1.017 238 S HN -0.007 nan 8.310 nan 0.000 0.482 239 M N 3.797 123.554 119.600 0.261 0.000 2.229 239 M HA 0.027 4.507 4.480 -0.000 0.000 0.264 239 M C 2.159 178.622 176.300 0.273 0.000 1.063 239 M CA 1.171 56.675 55.300 0.339 0.000 1.114 239 M CB -1.161 31.612 32.600 0.288 0.000 1.387 239 M HN 0.721 nan 8.290 nan 0.000 0.420 240 R N 0.398 121.007 120.500 0.183 0.000 2.092 240 R HA -0.176 4.164 4.340 -0.000 0.000 0.231 240 R C 1.813 178.242 176.300 0.215 0.000 1.119 240 R CA 1.559 57.756 56.100 0.161 0.000 0.970 240 R CB -0.071 30.277 30.300 0.080 0.000 0.864 240 R HN 0.247 nan 8.270 nan 0.000 0.440 241 E N 0.556 120.871 120.200 0.191 0.000 2.072 241 E HA -0.121 4.229 4.350 -0.000 0.000 0.190 241 E C 1.883 178.671 176.600 0.314 0.000 0.982 241 E CA 0.649 57.169 56.400 0.201 0.000 0.803 241 E CB -0.331 29.483 29.700 0.190 0.000 0.755 241 E HN 0.210 nan 8.360 nan 0.000 0.453 242 L N -0.092 121.343 121.223 0.353 0.000 2.012 242 L HA -0.106 4.234 4.340 -0.000 0.000 0.210 242 L C 2.098 179.147 176.870 0.299 0.000 1.073 242 L CA 1.824 56.883 54.840 0.365 0.000 0.748 242 L CB -0.849 41.470 42.059 0.435 0.000 0.891 242 L HN 0.268 nan 8.230 nan 0.000 0.431 243 F N -0.500 119.539 119.950 0.148 0.000 2.134 243 F HA -0.230 4.297 4.527 -0.000 0.000 0.299 243 F C 2.606 178.420 175.800 0.023 0.000 1.097 243 F CA 1.998 60.046 58.000 0.081 0.000 1.264 243 F CB -0.422 38.630 39.000 0.086 0.000 1.001 243 F HN 0.442 nan 8.300 nan 0.000 0.479 244 H N -1.302 117.789 119.070 0.034 0.000 2.293 244 H HA -0.225 4.331 4.556 -0.000 0.000 0.300 244 H C 2.086 177.203 175.328 -0.352 0.000 1.082 244 H CA 2.609 58.526 56.048 -0.219 0.000 1.308 244 H CB -0.907 28.663 29.762 -0.320 0.000 1.375 244 H HN 0.387 nan 8.280 nan 0.000 0.495 245 W N 0.465 121.603 121.300 -0.271 0.000 2.355 245 W HA -0.180 4.480 4.660 -0.000 0.000 0.309 245 W C 2.920 179.235 176.519 -0.339 0.000 1.206 245 W CA 1.982 59.099 57.345 -0.379 0.000 1.284 245 W CB -0.572 28.623 29.460 -0.441 0.000 1.145 245 W HN 0.403 nan 8.180 nan 0.000 0.502 246 T N -3.975 110.552 114.554 -0.045 0.000 2.995 246 T HA -0.110 4.240 4.350 -0.000 0.000 0.269 246 T C 1.418 175.944 174.700 -0.291 0.000 1.091 246 T CA 1.684 63.705 62.100 -0.132 0.000 1.128 246 T CB -0.535 68.287 68.868 -0.078 0.000 0.891 246 T HN 0.211 nan 8.240 nan 0.000 0.492 247 T N -2.245 112.032 114.554 -0.462 0.000 3.009 247 T HA 0.401 4.751 4.350 -0.000 0.000 0.267 247 T C 1.433 175.844 174.700 -0.483 0.000 0.942 247 T CA -0.398 61.388 62.100 -0.523 0.000 0.883 247 T CB 0.148 68.571 68.868 -0.742 0.000 1.192 247 T HN 0.240 nan 8.240 nan 0.000 0.524 248 I N 1.847 122.086 120.570 -0.551 0.000 3.300 248 I HA 0.472 4.642 4.170 -0.000 0.000 0.279 248 I C 1.767 177.549 176.117 -0.558 0.000 1.172 248 I CA 0.027 61.035 61.300 -0.487 0.000 1.431 248 I CB -1.313 36.451 38.000 -0.393 0.000 1.240 248 I HN 0.337 nan 8.210 nan 0.000 0.453 249 A N 2.106 124.398 122.820 -0.881 0.000 2.547 249 A HA 0.207 4.527 4.320 -0.000 0.000 0.233 249 A C 0.907 178.345 177.584 -0.244 0.000 1.067 249 A CA 0.451 52.118 52.037 -0.617 0.000 0.763 249 A CB -0.405 18.248 19.000 -0.578 0.000 1.007 249 A HN 0.521 nan 8.150 nan 0.000 0.506 250 T N -0.856 113.632 114.554 -0.109 0.000 2.860 250 T HA 0.276 4.626 4.350 -0.000 0.000 0.299 250 T C 0.851 175.591 174.700 0.067 0.000 1.045 250 T CA 0.159 62.253 62.100 -0.010 0.000 1.071 250 T CB 0.192 69.073 68.868 0.022 0.000 0.985 250 T HN 0.477 nan 8.240 nan 0.000 0.537 251 F N 1.616 121.512 119.950 -0.089 0.000 2.063 251 F HA -0.174 4.353 4.527 -0.000 0.000 0.298 251 F C 1.937 177.723 175.800 -0.024 0.000 1.105 251 F CA 2.361 60.312 58.000 -0.081 0.000 1.215 251 F CB -0.563 38.383 39.000 -0.091 0.000 0.972 251 F HN 0.655 nan 8.300 nan 0.000 0.483 252 D N -0.169 120.324 120.400 0.156 0.000 2.117 252 D HA -0.159 4.481 4.640 -0.000 0.000 0.197 252 D C 1.955 178.303 176.300 0.080 0.000 0.987 252 D CA 1.533 55.585 54.000 0.087 0.000 0.829 252 D CB -0.602 40.256 40.800 0.096 0.000 0.961 252 D HN 0.307 nan 8.370 nan 0.000 0.460 253 D N 0.358 120.832 120.400 0.122 0.000 2.117 253 D HA -0.098 4.542 4.640 -0.000 0.000 0.197 253 D C 2.243 178.745 176.300 0.337 0.000 0.987 253 D CA 0.191 54.331 54.000 0.233 0.000 0.829 253 D CB -0.310 40.629 40.800 0.233 0.000 0.961 253 D HN 0.185 nan 8.370 nan 0.000 0.460 254 L N 0.709 122.071 121.223 0.232 0.000 2.017 254 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 254 L C 2.541 179.443 176.870 0.054 0.000 1.073 254 L CA 1.240 56.200 54.840 0.200 0.000 0.745 254 L CB -0.024 42.028 42.059 -0.012 0.000 0.894 254 L HN -0.043 nan 8.230 nan 0.000 0.432 255 R N -0.169 120.294 120.500 -0.061 0.000 2.096 255 R HA -0.188 4.152 4.340 -0.000 0.000 0.240 255 R C 2.101 178.384 176.300 -0.027 0.000 1.139 255 R CA 1.614 57.666 56.100 -0.080 0.000 0.952 255 R CB -1.284 28.958 30.300 -0.097 0.000 0.854 255 R HN 0.536 nan 8.270 nan 0.000 0.436 256 G N 0.058 108.870 108.800 0.019 0.000 2.418 256 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.217 256 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.217 256 G C 1.359 176.232 174.900 -0.046 0.000 1.158 256 G CA 0.421 45.527 45.100 0.010 0.000 0.771 256 G HN 0.320 nan 8.290 nan 0.000 0.545 257 F N 1.157 120.968 119.950 -0.233 0.000 2.171 257 F HA 0.079 4.606 4.527 -0.000 0.000 0.300 257 F C 2.302 177.897 175.800 -0.342 0.000 1.090 257 F CA 0.982 58.694 58.000 -0.479 0.000 1.293 257 F CB -0.051 38.294 39.000 -1.092 0.000 1.013 257 F HN 0.036 nan 8.300 nan 0.000 0.486 258 L N -0.112 120.978 121.223 -0.222 0.000 2.291 258 L HA -0.062 4.278 4.340 -0.000 0.000 0.214 258 L C 0.695 177.429 176.870 -0.226 0.000 1.120 258 L CA 0.338 55.043 54.840 -0.225 0.000 0.799 258 L CB -0.755 41.273 42.059 -0.052 0.000 0.925 258 L HN -0.001 nan 8.230 nan 0.000 0.446 259 E N 0.389 120.476 120.200 -0.188 0.000 2.529 259 E HA 0.057 4.407 4.350 -0.000 0.000 0.259 259 E C 1.041 177.523 176.600 -0.195 0.000 0.966 259 E CA 0.723 57.033 56.400 -0.151 0.000 0.937 259 E CB 0.230 29.861 29.700 -0.114 0.000 0.923 259 E HN 0.364 nan 8.360 nan 0.000 0.468 260 G N 2.672 111.379 108.800 -0.155 0.000 2.176 260 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.232 260 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.232 260 G C 0.360 175.158 174.900 -0.169 0.000 0.986 260 G CA 0.249 45.254 45.100 -0.158 0.000 0.643 260 G HN 0.689 nan 8.290 nan 0.000 0.522 261 T N -1.769 112.678 114.554 -0.177 0.000 2.942 261 T HA 0.710 5.060 4.350 -0.000 0.000 0.289 261 T C 1.558 176.184 174.700 -0.123 0.000 1.044 261 T CA -0.252 61.749 62.100 -0.165 0.000 1.023 261 T CB 1.712 70.461 68.868 -0.198 0.000 1.123 261 T HN 0.246 nan 8.240 nan 0.000 0.512 262 L N 0.614 121.770 121.223 -0.110 0.000 2.261 262 L HA -0.010 4.330 4.340 -0.000 0.000 0.216 262 L C 2.883 179.681 176.870 -0.121 0.000 1.114 262 L CA 1.474 56.255 54.840 -0.098 0.000 0.777 262 L CB -0.734 41.276 42.059 -0.081 0.000 0.910 262 L HN 0.928 nan 8.230 nan 0.000 0.440 263 A N -0.728 122.021 122.820 -0.119 0.000 2.208 263 A HA -0.120 4.200 4.320 -0.000 0.000 0.209 263 A C 2.167 179.696 177.584 -0.091 0.000 1.161 263 A CA 0.640 52.593 52.037 -0.141 0.000 0.782 263 A CB -0.277 18.716 19.000 -0.012 0.000 0.816 263 A HN 0.460 nan 8.150 nan 0.000 0.477 264 E N 0.425 120.575 120.200 -0.084 0.000 2.021 264 E HA -0.206 4.144 4.350 -0.000 0.000 0.200 264 E C 1.836 178.406 176.600 -0.051 0.000 1.015 264 E CA 1.902 58.264 56.400 -0.063 0.000 0.824 264 E CB -0.149 29.503 29.700 -0.080 0.000 0.762 264 E HN 0.514 nan 8.360 nan 0.000 0.454 265 S N 0.330 115.986 115.700 -0.073 0.000 2.436 265 S HA 0.022 4.492 4.470 -0.000 0.000 0.228 265 S C 1.943 176.488 174.600 -0.092 0.000 1.014 265 S CA 0.317 58.479 58.200 -0.064 0.000 0.950 265 S CB -0.070 63.095 63.200 -0.059 0.000 0.784 265 S HN 0.260 nan 8.310 nan 0.000 0.504 266 L N -0.187 120.931 121.223 -0.176 0.000 2.131 266 L HA -0.035 4.305 4.340 -0.000 0.000 0.210 266 L C 1.074 177.763 176.870 -0.301 0.000 1.092 266 L CA 1.089 55.758 54.840 -0.285 0.000 0.759 266 L CB -0.325 41.464 42.059 -0.451 0.000 0.903 266 L HN 0.289 nan 8.230 nan 0.000 0.435 267 F N -0.139 119.756 119.950 -0.091 0.000 2.660 267 F HA 0.391 4.918 4.527 -0.000 0.000 0.297 267 F C 0.777 176.519 175.800 -0.097 0.000 1.132 267 F CA -0.508 57.420 58.000 -0.120 0.000 1.372 267 F CB -0.379 38.523 39.000 -0.162 0.000 1.003 267 F HN -0.106 nan 8.300 nan 0.000 0.524 268 A N -1.648 121.213 122.820 0.070 0.000 2.566 268 A HA 0.732 5.052 4.320 -0.000 0.000 0.292 268 A C 0.869 178.470 177.584 0.028 0.000 1.112 268 A CA -0.078 51.988 52.037 0.049 0.000 0.707 268 A CB 1.095 20.111 19.000 0.026 0.000 1.302 268 A HN 0.515 nan 8.150 nan 0.000 0.409 269 G N -0.761 108.058 108.800 0.032 0.000 2.278 269 G HA2 0.182 4.142 3.960 -0.000 0.000 0.210 269 G HA3 0.182 4.142 3.960 -0.000 0.000 0.210 269 G C 0.351 175.266 174.900 0.026 0.000 1.000 269 G CA 0.699 45.812 45.100 0.021 0.000 0.635 269 G HN 2.544 nan 8.290 nan 0.000 0.495 270 S N -1.230 114.491 115.700 0.036 0.000 2.611 270 S HA 0.590 5.060 4.470 -0.000 0.000 0.268 270 S C 0.524 175.151 174.600 0.044 0.000 1.156 270 S CA 0.146 58.366 58.200 0.034 0.000 0.817 270 S CB 0.959 64.175 63.200 0.027 0.000 1.122 270 S HN 0.012 nan 8.310 nan 0.000 0.466 271 N N 1.026 119.747 118.700 0.036 0.000 2.166 271 N HA -0.125 4.615 4.740 -0.000 0.000 0.186 271 N C 1.480 177.014 175.510 0.041 0.000 1.019 271 N CA 1.756 54.827 53.050 0.034 0.000 0.856 271 N CB -0.544 37.956 38.487 0.022 0.000 0.993 271 N HN 0.817 nan 8.380 nan 0.000 0.426 272 E N 1.326 121.550 120.200 0.041 0.000 2.085 272 E HA -0.065 4.285 4.350 -0.000 0.000 0.194 272 E C 1.771 178.389 176.600 0.031 0.000 0.994 272 E CA 1.392 57.819 56.400 0.044 0.000 0.801 272 E CB -0.313 29.415 29.700 0.048 0.000 0.743 272 E HN 0.319 nan 8.360 nan 0.000 0.453 273 A N -0.281 122.563 122.820 0.039 0.000 1.898 273 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 273 A C 2.417 180.069 177.584 0.112 0.000 1.181 273 A CA 1.729 53.799 52.037 0.055 0.000 0.620 273 A CB -0.603 18.431 19.000 0.057 0.000 0.819 273 A HN 0.285 nan 8.150 nan 0.000 0.442 274 S N -0.520 115.256 115.700 0.127 0.000 2.402 274 S HA -0.124 4.346 4.470 -0.000 0.000 0.229 274 S C 1.961 176.660 174.600 0.165 0.000 1.021 274 S CA 1.458 59.796 58.200 0.231 0.000 0.974 274 S CB -0.184 63.142 63.200 0.210 0.000 0.800 274 S HN 0.695 nan 8.310 nan 0.000 0.484 275 K N 1.684 122.124 120.400 0.066 0.000 2.026 275 K HA -0.055 4.265 4.320 -0.000 0.000 0.208 275 K C 2.241 178.844 176.600 0.005 0.000 1.048 275 K CA 1.201 57.506 56.287 0.030 0.000 0.929 275 K CB -0.383 32.140 32.500 0.039 0.000 0.713 275 K HN 0.276 nan 8.250 nan 0.000 0.439 276 A N 1.857 124.638 122.820 -0.065 0.000 1.908 276 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 276 A C 2.168 179.655 177.584 -0.162 0.000 1.181 276 A CA 1.382 53.239 52.037 -0.301 0.000 0.627 276 A CB -0.720 17.847 19.000 -0.722 0.000 0.818 276 A HN 0.443 nan 8.150 nan 0.000 0.445 277 L N -0.563 120.528 121.223 -0.220 0.000 2.017 277 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 277 L C 2.631 179.334 176.870 -0.279 0.000 1.073 277 L CA 2.303 56.724 54.840 -0.698 0.000 0.745 277 L CB -0.764 40.883 42.059 -0.686 0.000 0.894 277 L HN 0.416 nan 8.230 nan 0.000 0.432 278 T N -0.713 113.843 114.554 0.005 0.000 2.759 278 T HA -0.167 4.183 4.350 -0.000 0.000 0.269 278 T C 2.029 176.699 174.700 -0.049 0.000 1.042 278 T CA 1.615 63.702 62.100 -0.022 0.000 1.140 278 T CB -0.104 68.747 68.868 -0.028 0.000 0.864 278 T HN 0.360 nan 8.240 nan 0.000 0.455 279 S N 1.241 116.946 115.700 0.008 0.000 2.356 279 S HA -0.040 4.430 4.470 -0.000 0.000 0.223 279 S C 2.603 177.273 174.600 0.117 0.000 1.032 279 S CA 0.971 59.194 58.200 0.038 0.000 1.005 279 S CB -0.580 62.665 63.200 0.075 0.000 0.867 279 S HN 0.606 nan 8.310 nan 0.000 0.449 280 A N 2.308 125.182 122.820 0.090 0.000 1.908 280 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 280 A C 2.166 179.731 177.584 -0.032 0.000 1.181 280 A CA 1.227 53.308 52.037 0.074 0.000 0.627 280 A CB -0.460 18.523 19.000 -0.028 0.000 0.818 280 A HN 0.334 nan 8.150 nan 0.000 0.445 281 R N -1.539 118.867 120.500 -0.157 0.000 2.081 281 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 281 R C 1.877 178.061 176.300 -0.193 0.000 1.131 281 R CA 1.463 57.419 56.100 -0.240 0.000 0.960 281 R CB -0.843 29.236 30.300 -0.368 0.000 0.856 281 R HN 0.560 nan 8.270 nan 0.000 0.436 282 F N 0.784 120.686 119.950 -0.081 0.000 2.134 282 F HA -0.161 4.366 4.527 -0.000 0.000 0.299 282 F C 2.582 178.368 175.800 -0.023 0.000 1.097 282 F CA 0.836 58.794 58.000 -0.071 0.000 1.264 282 F CB -0.867 38.062 39.000 -0.118 0.000 1.001 282 F HN -0.257 nan 8.300 nan 0.000 0.479 283 V N -0.363 119.669 119.914 0.197 0.000 2.255 283 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 283 V C 2.390 178.546 176.094 0.103 0.000 1.051 283 V CA 1.400 63.794 62.300 0.156 0.000 1.018 283 V CB -0.762 31.160 31.823 0.165 0.000 0.641 283 V HN 0.174 nan 8.190 nan 0.000 0.445 284 L N 0.556 121.814 121.223 0.059 0.000 2.131 284 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 284 L C 2.739 179.653 176.870 0.073 0.000 1.092 284 L CA 2.214 57.074 54.840 0.033 0.000 0.759 284 L CB -1.340 40.706 42.059 -0.021 0.000 0.903 284 L HN 0.508 nan 8.230 nan 0.000 0.435 285 S N -1.060 114.669 115.700 0.048 0.000 2.399 285 S HA -0.180 4.290 4.470 -0.000 0.000 0.231 285 S C 1.675 176.386 174.600 0.184 0.000 1.022 285 S CA 1.556 59.810 58.200 0.091 0.000 0.983 285 S CB -0.154 63.086 63.200 0.067 0.000 0.803 285 S HN 0.475 nan 8.310 nan 0.000 0.480 286 D N 0.696 121.187 120.400 0.152 0.000 2.162 286 D HA 0.044 4.684 4.640 -0.000 0.000 0.205 286 D C 2.056 178.429 176.300 0.122 0.000 0.964 286 D CA 0.800 54.878 54.000 0.131 0.000 0.847 286 D CB -0.068 40.796 40.800 0.107 0.000 0.988 286 D HN 0.347 nan 8.370 nan 0.000 0.480 287 K N 0.800 121.268 120.400 0.114 0.000 2.076 287 K HA 0.091 4.411 4.320 -0.000 0.000 0.204 287 K C 2.410 179.118 176.600 0.180 0.000 1.051 287 K CA 0.184 56.535 56.287 0.106 0.000 0.949 287 K CB -0.519 32.007 32.500 0.043 0.000 0.726 287 K HN 0.203 nan 8.250 nan 0.000 0.443 288 L N 1.032 122.363 121.223 0.180 0.000 2.093 288 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 288 L C -0.700 176.317 176.870 0.244 0.000 1.085 288 L CA 0.847 55.827 54.840 0.234 0.000 0.755 288 L CB -1.722 40.524 42.059 0.312 0.000 0.904 288 L HN 0.049 nan 8.230 nan 0.000 0.435 289 P HA -0.257 nan 4.420 nan 0.000 0.221 289 P C 1.264 178.542 177.300 -0.036 0.000 1.160 289 P CA 1.592 64.662 63.100 -0.050 0.000 0.933 289 P CB -0.007 31.724 31.700 0.051 0.000 0.793 290 E N -2.059 118.156 120.200 0.026 0.000 2.268 290 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 290 E C 2.009 178.580 176.600 -0.049 0.000 0.995 290 E CA 0.904 57.287 56.400 -0.028 0.000 0.836 290 E CB -0.814 28.834 29.700 -0.086 0.000 0.763 290 E HN 0.549 nan 8.360 nan 0.000 0.491 291 H N -0.243 118.840 119.070 0.021 0.000 2.428 291 H HA -0.011 4.545 4.556 -0.000 0.000 0.296 291 H C 2.146 177.533 175.328 0.098 0.000 1.062 291 H CA 1.029 57.145 56.048 0.115 0.000 1.350 291 H CB 0.357 30.197 29.762 0.130 0.000 1.403 291 H HN 0.005 nan 8.280 nan 0.000 0.533 292 V N 0.930 120.914 119.914 0.116 0.000 2.323 292 V HA -0.187 3.933 4.120 -0.000 0.000 0.244 292 V C 2.749 178.837 176.094 -0.011 0.000 1.041 292 V CA 2.124 64.429 62.300 0.009 0.000 1.025 292 V CB -0.741 30.945 31.823 -0.229 0.000 0.656 292 V HN 0.577 nan 8.190 nan 0.000 0.451 293 T N -2.849 111.675 114.554 -0.050 0.000 3.007 293 T HA -0.021 4.329 4.350 -0.000 0.000 0.270 293 T C 0.977 175.636 174.700 -0.068 0.000 1.107 293 T CA 0.372 62.433 62.100 -0.066 0.000 1.118 293 T CB -0.280 68.542 68.868 -0.078 0.000 0.889 293 T HN 0.140 nan 8.240 nan 0.000 0.506 294 M N 2.981 122.585 119.600 0.006 0.000 2.269 294 M HA 0.231 4.711 4.480 -0.000 0.000 0.350 294 M C -2.416 173.945 176.300 0.102 0.000 1.429 294 M CA -2.222 53.124 55.300 0.078 0.000 1.063 294 M CB 0.414 33.160 32.600 0.243 0.000 1.841 294 M HN -0.011 nan 8.290 nan 0.000 0.455 295 P HA -0.034 nan 4.420 nan 0.000 0.261 295 P C -0.562 176.819 177.300 0.134 0.000 1.183 295 P CA 0.235 63.379 63.100 0.074 0.000 0.761 295 P CB 0.366 32.096 31.700 0.051 0.000 0.785 296 D N 1.589 122.054 120.400 0.108 0.000 2.329 296 D HA 0.538 5.178 4.640 -0.000 0.000 0.246 296 D C 0.580 176.950 176.300 0.118 0.000 1.111 296 D CA 0.431 54.505 54.000 0.123 0.000 0.941 296 D CB 1.261 42.111 40.800 0.084 0.000 1.169 296 D HN 0.467 nan 8.370 nan 0.000 0.441 297 G N 0.427 109.307 108.800 0.133 0.000 2.427 297 G HA2 0.186 4.146 3.960 -0.000 0.000 0.306 297 G HA3 0.186 4.146 3.960 -0.000 0.000 0.306 297 G C -0.963 174.015 174.900 0.131 0.000 1.280 297 G CA -0.380 44.798 45.100 0.131 0.000 0.837 297 G HN 0.446 nan 8.290 nan 0.000 0.482 298 D N -1.101 119.387 120.400 0.146 0.000 2.479 298 D HA 0.220 4.860 4.640 -0.000 0.000 0.218 298 D C 0.253 176.653 176.300 0.167 0.000 1.177 298 D CA -0.625 53.442 54.000 0.112 0.000 0.830 298 D CB 0.067 40.909 40.800 0.070 0.000 1.014 298 D HN 0.191 nan 8.370 nan 0.000 0.503 299 F N 2.292 122.324 119.950 0.136 0.000 2.578 299 F HA 0.300 4.827 4.527 -0.000 0.000 0.376 299 F C 0.178 176.135 175.800 0.261 0.000 1.085 299 F CA -0.256 57.845 58.000 0.169 0.000 1.260 299 F CB 0.925 40.010 39.000 0.141 0.000 1.095 299 F HN -0.113 nan 8.300 nan 0.000 0.573 300 S N 6.702 121.980 115.700 -0.704 0.000 2.519 300 S HA 0.445 4.915 4.470 -0.000 0.000 0.309 300 S C 0.985 175.144 174.600 -0.736 0.000 1.100 300 S CA -0.864 57.062 58.200 -0.456 0.000 1.059 300 S CB 0.720 63.794 63.200 -0.209 0.000 1.008 300 S HN 0.717 nan 8.310 nan 0.000 0.478 301 I N 4.443 124.801 120.570 -0.353 0.000 2.394 301 I HA -0.116 4.054 4.170 -0.000 0.000 0.251 301 I C 2.556 178.726 176.117 0.088 0.000 1.136 301 I CA 0.836 62.069 61.300 -0.112 0.000 1.425 301 I CB -0.131 37.899 38.000 0.051 0.000 1.079 301 I HN 0.660 nan 8.210 nan 0.000 0.425 302 R N 0.263 120.778 120.500 0.024 0.000 2.066 302 R HA -0.099 4.241 4.340 -0.000 0.000 0.232 302 R C 2.510 178.831 176.300 0.035 0.000 1.131 302 R CA 1.672 57.806 56.100 0.056 0.000 0.955 302 R CB -0.409 29.902 30.300 0.018 0.000 0.851 302 R HN 0.239 nan 8.270 nan 0.000 0.432 303 S N 0.294 115.982 115.700 -0.020 0.000 2.368 303 S HA -0.181 4.289 4.470 -0.000 0.000 0.225 303 S C 1.371 175.994 174.600 0.039 0.000 1.030 303 S CA 1.144 59.337 58.200 -0.012 0.000 0.999 303 S CB -0.345 62.829 63.200 -0.042 0.000 0.844 303 S HN 0.479 nan 8.310 nan 0.000 0.459 304 W N 2.503 123.724 121.300 -0.133 0.000 2.338 304 W HA -0.122 4.538 4.660 -0.000 0.000 0.304 304 W C 1.626 178.167 176.519 0.036 0.000 1.212 304 W CA 1.163 58.509 57.345 0.002 0.000 1.264 304 W CB -0.552 28.958 29.460 0.085 0.000 1.142 304 W HN 0.194 nan 8.180 nan 0.000 0.512 305 L N 0.354 121.583 121.223 0.009 0.000 2.046 305 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 305 L C 2.394 179.131 176.870 -0.222 0.000 1.077 305 L CA 1.944 56.667 54.840 -0.195 0.000 0.747 305 L CB -0.830 41.262 42.059 0.055 0.000 0.896 305 L HN 0.058 nan 8.230 nan 0.000 0.432 306 E N -0.779 119.352 120.200 -0.116 0.000 2.208 306 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 306 E C 0.561 177.090 176.600 -0.118 0.000 0.988 306 E CA 0.180 56.525 56.400 -0.091 0.000 0.828 306 E CB -0.062 29.613 29.700 -0.040 0.000 0.763 306 E HN 0.269 nan 8.360 nan 0.000 0.478 307 D N 1.179 121.489 120.400 -0.150 0.000 2.346 307 D HA -0.009 4.631 4.640 -0.000 0.000 0.267 307 D C -1.803 174.390 176.300 -0.179 0.000 1.320 307 D CA -1.974 51.947 54.000 -0.132 0.000 0.951 307 D CB 1.043 41.787 40.800 -0.093 0.000 1.079 307 D HN -0.144 nan 8.370 nan 0.000 0.509 308 P HA -0.128 nan 4.420 nan 0.000 0.216 308 P C 0.711 177.958 177.300 -0.088 0.000 1.153 308 P CA 0.946 63.985 63.100 -0.102 0.000 0.858 308 P CB 0.209 31.874 31.700 -0.059 0.000 0.789 309 N N -0.607 118.060 118.700 -0.055 0.000 2.521 309 N HA -0.001 4.738 4.740 -0.000 0.000 0.188 309 N C 1.196 176.702 175.510 -0.007 0.000 1.146 309 N CA 0.522 53.562 53.050 -0.017 0.000 0.893 309 N CB -0.463 38.029 38.487 0.008 0.000 0.975 309 N HN 0.143 nan 8.380 nan 0.000 0.451 310 G N -0.246 108.505 108.800 -0.082 0.000 2.614 310 G HA2 0.362 4.322 3.960 -0.000 0.000 0.239 310 G HA3 0.362 4.322 3.960 -0.000 0.000 0.239 310 G C 0.764 175.685 174.900 0.034 0.000 1.240 310 G CA -0.025 45.033 45.100 -0.070 0.000 0.842 310 G HN 0.173 nan 8.290 nan 0.000 0.584 311 G N 0.291 109.275 108.800 0.308 0.000 3.286 311 G HA2 0.371 4.331 3.960 -0.000 0.000 0.173 311 G HA3 0.371 4.331 3.960 -0.000 0.000 0.173 311 G C 0.035 175.215 174.900 0.468 0.000 1.704 311 G CA -0.583 44.706 45.100 0.315 0.000 1.041 311 G HN 0.605 nan 8.290 nan 0.000 0.561 312 N N -0.602 118.390 118.700 0.486 0.000 2.335 312 N HA 0.426 5.166 4.740 -0.000 0.000 0.304 312 N C -1.396 174.268 175.510 0.256 0.000 1.135 312 N CA -0.492 52.823 53.050 0.441 0.000 0.817 312 N CB 2.570 41.153 38.487 0.161 0.000 1.294 312 N HN 0.235 nan 8.380 nan 0.000 0.497 313 L N 1.466 122.654 121.223 -0.058 0.000 2.296 313 L HA 0.512 4.852 4.340 -0.000 0.000 0.286 313 L C -1.257 175.382 176.870 -0.384 0.000 1.023 313 L CA -0.662 53.937 54.840 -0.402 0.000 0.812 313 L CB 0.447 42.005 42.059 -0.834 0.000 1.223 313 L HN 0.392 nan 8.230 nan 0.000 0.421 314 F N 5.534 125.383 119.950 -0.169 0.000 2.375 314 F HA 0.423 4.950 4.527 -0.000 0.000 0.361 314 F C 0.217 175.954 175.800 -0.104 0.000 1.117 314 F CA -0.420 57.529 58.000 -0.084 0.000 1.037 314 F CB 1.290 40.254 39.000 -0.061 0.000 1.192 314 F HN 0.217 nan 8.300 nan 0.000 0.452 315 I N 4.127 124.766 120.570 0.116 0.000 2.287 315 I HA 0.222 4.392 4.170 -0.000 0.000 0.290 315 I C 0.281 176.618 176.117 0.366 0.000 1.069 315 I CA -0.215 61.197 61.300 0.186 0.000 1.237 315 I CB 0.508 38.663 38.000 0.259 0.000 1.418 315 I HN 0.607 nan 8.210 nan 0.000 0.481 316 T N 2.089 116.834 114.554 0.318 0.000 2.938 316 T HA 0.787 5.137 4.350 -0.000 0.000 0.285 316 T C -0.986 173.979 174.700 0.442 0.000 1.028 316 T CA -0.684 61.546 62.100 0.217 0.000 1.005 316 T CB 2.091 71.013 68.868 0.089 0.000 1.157 316 T HN 0.660 nan 8.240 nan 0.000 0.550 317 W N -1.036 120.291 121.300 0.046 0.000 3.524 317 W HA 0.543 5.203 4.660 -0.000 0.000 0.287 317 W C -1.751 174.689 176.519 -0.132 0.000 1.247 317 W CA -1.166 56.172 57.345 -0.012 0.000 1.197 317 W CB 0.711 30.194 29.460 0.039 0.000 1.323 317 W HN 0.775 nan 8.180 nan 0.000 0.567 318 R N 2.478 122.896 120.500 -0.137 0.000 2.298 318 R HA 0.131 4.471 4.340 -0.000 0.000 0.310 318 R C 0.933 177.228 176.300 -0.007 0.000 1.068 318 R CA -0.342 55.598 56.100 -0.267 0.000 0.957 318 R CB 1.230 31.274 30.300 -0.427 0.000 1.003 318 R HN 0.758 nan 8.270 nan 0.000 0.454 319 E N 1.480 121.647 120.200 -0.056 0.000 2.219 319 E HA -0.220 4.130 4.350 -0.000 0.000 0.198 319 E C 0.847 177.496 176.600 0.081 0.000 0.998 319 E CA 1.452 57.912 56.400 0.100 0.000 0.818 319 E CB 0.114 29.827 29.700 0.022 0.000 0.741 319 E HN 0.605 nan 8.360 nan 0.000 0.477 320 D N -0.462 119.938 120.400 -0.001 0.000 2.378 320 D HA -0.146 4.494 4.640 -0.000 0.000 0.227 320 D C 1.146 177.433 176.300 -0.022 0.000 1.012 320 D CA 0.659 54.649 54.000 -0.017 0.000 0.905 320 D CB 0.002 40.773 40.800 -0.049 0.000 0.895 320 D HN 0.224 nan 8.370 nan 0.000 0.532 321 M N -0.396 119.210 119.600 0.010 0.000 2.504 321 M HA 0.305 4.785 4.480 -0.000 0.000 0.370 321 M C 1.608 177.917 176.300 0.014 0.000 1.110 321 M CA -0.133 55.154 55.300 -0.022 0.000 0.938 321 M CB 1.666 34.204 32.600 -0.104 0.000 1.460 321 M HN 0.052 nan 8.290 nan 0.000 0.535 322 G N 2.874 111.721 108.800 0.077 0.000 2.459 322 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.217 322 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.217 322 G C -0.522 174.296 174.900 -0.136 0.000 1.183 322 G CA 0.829 45.909 45.100 -0.034 0.000 0.776 322 G HN 0.310 nan 8.290 nan 0.000 0.552 323 P HA -0.122 nan 4.420 nan 0.000 0.216 323 P C 2.086 179.341 177.300 -0.074 0.000 1.153 323 P CA 2.175 65.237 63.100 -0.063 0.000 0.858 323 P CB -0.253 31.430 31.700 -0.028 0.000 0.789 324 A N 0.218 123.001 122.820 -0.061 0.000 1.902 324 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 324 A C 2.382 179.921 177.584 -0.074 0.000 1.181 324 A CA 1.518 53.529 52.037 -0.044 0.000 0.623 324 A CB -1.552 17.433 19.000 -0.025 0.000 0.818 324 A HN 0.174 nan 8.150 nan 0.000 0.443 325 L N -1.256 119.890 121.223 -0.128 0.000 2.554 325 L HA 0.036 4.376 4.340 -0.000 0.000 0.226 325 L C 2.434 179.126 176.870 -0.297 0.000 1.137 325 L CA 0.338 55.057 54.840 -0.201 0.000 0.863 325 L CB -0.401 41.537 42.059 -0.202 0.000 0.985 325 L HN 0.439 nan 8.230 nan 0.000 0.451 326 R N 1.369 121.712 120.500 -0.261 0.000 2.112 326 R HA -0.192 4.148 4.340 -0.000 0.000 0.242 326 R C -0.428 175.751 176.300 -0.201 0.000 1.137 326 R CA 2.255 58.206 56.100 -0.249 0.000 0.944 326 R CB -1.126 29.078 30.300 -0.161 0.000 0.857 326 R HN 0.251 nan 8.270 nan 0.000 0.435 327 P HA -0.168 nan 4.420 nan 0.000 0.219 327 P C 1.631 178.837 177.300 -0.156 0.000 1.150 327 P CA 1.130 64.173 63.100 -0.095 0.000 0.814 327 P CB -0.159 31.530 31.700 -0.018 0.000 0.787 328 L N -0.437 120.591 121.223 -0.324 0.000 2.005 328 L HA -0.114 4.226 4.340 -0.000 0.000 0.207 328 L C 2.670 179.050 176.870 -0.817 0.000 1.072 328 L CA 1.550 55.969 54.840 -0.702 0.000 0.744 328 L CB -0.689 40.852 42.059 -0.864 0.000 0.895 328 L HN -0.161 nan 8.230 nan 0.000 0.433 329 I N -0.592 119.635 120.570 -0.571 0.000 2.208 329 I HA -0.335 3.835 4.170 -0.000 0.000 0.245 329 I C 2.553 178.596 176.117 -0.124 0.000 1.097 329 I CA 1.428 62.559 61.300 -0.282 0.000 1.363 329 I CB -0.303 37.496 38.000 -0.336 0.000 1.051 329 I HN 0.234 nan 8.210 nan 0.000 0.413 330 S N 0.659 116.273 115.700 -0.144 0.000 2.382 330 S HA -0.160 4.310 4.470 -0.000 0.000 0.228 330 S C 2.250 176.858 174.600 0.013 0.000 1.027 330 S CA 1.245 59.422 58.200 -0.039 0.000 0.991 330 S CB -0.353 62.818 63.200 -0.047 0.000 0.823 330 S HN 0.558 nan 8.310 nan 0.000 0.469 331 A N 1.443 124.236 122.820 -0.044 0.000 1.877 331 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 331 A C 1.889 179.574 177.584 0.168 0.000 1.186 331 A CA 1.338 53.413 52.037 0.064 0.000 0.620 331 A CB -0.910 18.143 19.000 0.088 0.000 0.822 331 A HN 0.621 nan 8.150 nan 0.000 0.443 332 W N -0.035 121.255 121.300 -0.016 0.000 2.358 332 W HA -0.100 4.560 4.660 -0.000 0.000 0.303 332 W C 2.367 178.888 176.519 0.004 0.000 1.208 332 W CA 1.088 58.370 57.345 -0.106 0.000 1.274 332 W CB -1.398 27.916 29.460 -0.243 0.000 1.138 332 W HN 0.187 nan 8.180 nan 0.000 0.515 333 V N 0.371 120.440 119.914 0.258 0.000 2.343 333 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 333 V C 1.823 178.025 176.094 0.180 0.000 1.051 333 V CA 2.466 64.882 62.300 0.193 0.000 1.036 333 V CB -1.022 30.895 31.823 0.158 0.000 0.654 333 V HN 0.020 nan 8.190 nan 0.000 0.451 334 D N -0.525 119.982 120.400 0.178 0.000 2.149 334 D HA -0.127 4.513 4.640 -0.000 0.000 0.201 334 D C 2.039 178.472 176.300 0.223 0.000 0.972 334 D CA 0.948 55.049 54.000 0.167 0.000 0.835 334 D CB 0.048 40.931 40.800 0.139 0.000 0.966 334 D HN 0.182 nan 8.370 nan 0.000 0.476 335 V N -0.151 119.950 119.914 0.312 0.000 2.287 335 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 335 V C 2.494 178.790 176.094 0.337 0.000 1.053 335 V CA 1.355 63.916 62.300 0.436 0.000 1.027 335 V CB -0.422 31.678 31.823 0.462 0.000 0.646 335 V HN 0.177 nan 8.190 nan 0.000 0.447 336 V N -0.969 119.095 119.914 0.251 0.000 2.255 336 V HA -0.319 3.801 4.120 -0.000 0.000 0.247 336 V C 2.536 178.734 176.094 0.173 0.000 1.051 336 V CA 2.381 64.808 62.300 0.212 0.000 1.018 336 V CB -0.815 31.120 31.823 0.187 0.000 0.641 336 V HN 0.667 nan 8.190 nan 0.000 0.445 337 C N 0.084 119.471 119.300 0.144 0.000 2.413 337 C HA -0.169 4.291 4.460 -0.000 0.000 0.276 337 C C 2.950 177.992 174.990 0.088 0.000 1.248 337 C CA 1.748 60.822 59.018 0.093 0.000 1.742 337 C CB -1.416 26.368 27.740 0.074 0.000 2.017 337 C HN 0.702 nan 8.230 nan 0.000 0.481 338 T N 0.399 115.018 114.554 0.109 0.000 2.770 338 T HA -0.108 4.242 4.350 -0.000 0.000 0.263 338 T C 1.951 176.721 174.700 0.117 0.000 1.039 338 T CA 1.680 63.823 62.100 0.072 0.000 1.142 338 T CB -0.435 68.419 68.868 -0.024 0.000 0.868 338 T HN 0.519 nan 8.240 nan 0.000 0.435 339 S N 2.132 117.954 115.700 0.203 0.000 2.400 339 S HA -0.085 4.385 4.470 -0.000 0.000 0.232 339 S C 2.161 176.846 174.600 0.141 0.000 1.025 339 S CA 1.349 59.680 58.200 0.218 0.000 0.993 339 S CB -0.688 62.671 63.200 0.265 0.000 0.808 339 S HN 0.745 nan 8.310 nan 0.000 0.478 340 I N -1.165 119.473 120.570 0.114 0.000 2.756 340 I HA -0.026 4.144 4.170 -0.000 0.000 0.262 340 I C 1.384 177.532 176.117 0.053 0.000 1.225 340 I CA 1.018 62.362 61.300 0.073 0.000 1.472 340 I CB -0.309 37.724 38.000 0.055 0.000 1.094 340 I HN 0.070 nan 8.210 nan 0.000 0.454 341 L N 0.592 121.851 121.223 0.061 0.000 2.552 341 L HA 0.075 4.415 4.340 -0.000 0.000 0.227 341 L C 2.000 178.904 176.870 0.056 0.000 1.146 341 L CA 1.170 56.039 54.840 0.047 0.000 0.858 341 L CB -0.592 41.495 42.059 0.046 0.000 0.969 341 L HN 0.233 nan 8.230 nan 0.000 0.451 342 S N -1.460 114.286 115.700 0.077 0.000 2.559 342 S HA 0.306 4.776 4.470 -0.000 0.000 0.226 342 S C 0.728 175.362 174.600 0.057 0.000 1.000 342 S CA -0.428 57.821 58.200 0.082 0.000 0.948 342 S CB 0.263 63.539 63.200 0.127 0.000 0.870 342 S HN 0.117 nan 8.310 nan 0.000 0.497 343 L N 3.864 125.113 121.223 0.043 0.000 2.483 343 L HA 0.179 4.519 4.340 -0.000 0.000 0.276 343 L C -1.850 175.026 176.870 0.010 0.000 1.213 343 L CA -1.327 53.526 54.840 0.022 0.000 0.843 343 L CB -0.078 41.986 42.059 0.009 0.000 1.107 343 L HN 0.069 nan 8.230 nan 0.000 0.487 344 P HA 0.036 nan 4.420 nan 0.000 0.271 344 P C -0.950 176.343 177.300 -0.011 0.000 1.216 344 P CA -0.565 62.533 63.100 -0.003 0.000 0.776 344 P CB 0.476 32.173 31.700 -0.006 0.000 0.881 345 E N 2.187 122.380 120.200 -0.012 0.000 2.491 345 E HA -0.073 4.277 4.350 -0.000 0.000 0.250 345 E C -0.229 176.358 176.600 -0.022 0.000 1.061 345 E CA 0.494 56.883 56.400 -0.017 0.000 0.942 345 E CB 0.103 29.793 29.700 -0.016 0.000 0.957 345 E HN 0.584 nan 8.360 nan 0.000 0.480 346 E N 4.693 124.876 120.200 -0.027 0.000 2.460 346 E HA 0.228 4.578 4.350 -0.000 0.000 0.249 346 E C -2.203 174.376 176.600 -0.036 0.000 0.962 346 E CA -2.139 54.243 56.400 -0.031 0.000 0.787 346 E CB 1.245 30.924 29.700 -0.035 0.000 1.341 346 E HN 0.053 nan 8.360 nan 0.000 0.407 347 P HA -0.178 nan 4.420 nan 0.000 0.218 347 P C 0.384 177.660 177.300 -0.041 0.000 1.146 347 P CA 1.219 64.296 63.100 -0.037 0.000 0.813 347 P CB 0.238 31.919 31.700 -0.031 0.000 0.778 348 K N -1.310 119.068 120.400 -0.037 0.000 2.426 348 K HA 0.046 4.366 4.320 -0.000 0.000 0.193 348 K C 1.001 177.576 176.600 -0.042 0.000 1.028 348 K CA -0.198 56.067 56.287 -0.036 0.000 1.047 348 K CB 0.105 32.588 32.500 -0.028 0.000 0.821 348 K HN 0.078 nan 8.250 nan 0.000 0.513 349 R N 1.932 122.402 120.500 -0.051 0.000 2.491 349 R HA 0.086 4.426 4.340 -0.000 0.000 0.283 349 R C -0.667 175.586 176.300 -0.078 0.000 1.072 349 R CA 0.173 56.237 56.100 -0.060 0.000 1.048 349 R CB 0.499 30.761 30.300 -0.063 0.000 0.983 349 R HN -0.044 nan 8.270 nan 0.000 0.450 350 R N 5.246 125.702 120.500 -0.073 0.000 2.473 350 R HA 0.341 4.681 4.340 -0.000 0.000 0.303 350 R C -1.275 174.965 176.300 -0.099 0.000 1.002 350 R CA -0.704 55.325 56.100 -0.119 0.000 0.884 350 R CB 1.562 31.826 30.300 -0.060 0.000 1.173 350 R HN 0.483 nan 8.270 nan 0.000 0.464 351 L N 3.958 125.076 121.223 -0.175 0.000 2.372 351 L HA 0.484 4.824 4.340 -0.000 0.000 0.274 351 L C -1.311 175.481 176.870 -0.130 0.000 0.988 351 L CA -0.728 54.075 54.840 -0.062 0.000 0.833 351 L CB 1.299 43.346 42.059 -0.019 0.000 1.236 351 L HN 0.597 nan 8.230 nan 0.000 0.410 352 W N 5.512 126.854 121.300 0.070 0.000 2.376 352 W HA 0.504 5.164 4.660 -0.000 0.000 0.322 352 W C -0.319 176.220 176.519 0.035 0.000 1.160 352 W CA -0.326 57.030 57.345 0.018 0.000 1.218 352 W CB 1.275 30.809 29.460 0.124 0.000 1.205 352 W HN 0.226 nan 8.180 nan 0.000 0.559 353 L N 4.245 125.550 121.223 0.137 0.000 2.372 353 L HA 0.480 4.820 4.340 -0.000 0.000 0.273 353 L C -1.639 175.234 176.870 0.004 0.000 0.989 353 L CA -0.774 54.143 54.840 0.129 0.000 0.841 353 L CB 0.487 42.596 42.059 0.084 0.000 1.225 353 L HN 0.310 nan 8.230 nan 0.000 0.414 354 F N 5.501 125.571 119.950 0.201 0.000 2.404 354 F HA 0.474 5.001 4.527 -0.000 0.000 0.354 354 F C 0.298 176.197 175.800 0.165 0.000 1.122 354 F CA -0.356 57.751 58.000 0.178 0.000 1.080 354 F CB 1.434 40.504 39.000 0.117 0.000 1.131 354 F HN 0.224 nan 8.300 nan 0.000 0.471 355 I N 4.509 125.256 120.570 0.295 0.000 2.382 355 I HA 0.145 4.315 4.170 -0.000 0.000 0.285 355 I C 0.581 176.842 176.117 0.239 0.000 1.007 355 I CA -0.595 60.857 61.300 0.253 0.000 1.142 355 I CB 1.468 39.591 38.000 0.206 0.000 1.289 355 I HN 0.610 nan 8.210 nan 0.000 0.453 356 D N 4.701 125.250 120.400 0.247 0.000 2.104 356 D HA -0.206 4.434 4.640 -0.000 0.000 0.194 356 D C 0.588 176.985 176.300 0.161 0.000 0.994 356 D CA 1.528 55.648 54.000 0.200 0.000 0.830 356 D CB 0.306 41.225 40.800 0.198 0.000 0.959 356 D HN 0.478 nan 8.370 nan 0.000 0.452 357 E N -0.769 119.534 120.200 0.172 0.000 2.343 357 E HA 0.223 4.572 4.350 -0.000 0.000 0.260 357 E C 0.161 176.835 176.600 0.124 0.000 0.908 357 E CA -0.585 55.892 56.400 0.128 0.000 0.814 357 E CB 1.205 30.983 29.700 0.129 0.000 1.302 357 E HN -0.034 nan 8.360 nan 0.000 0.408 358 L N 4.138 125.417 121.223 0.093 0.000 2.042 358 L HA 0.062 4.402 4.340 -0.000 0.000 0.210 358 L C 1.742 178.693 176.870 0.136 0.000 1.076 358 L CA 2.680 57.583 54.840 0.104 0.000 0.749 358 L CB -0.419 41.660 42.059 0.034 0.000 0.893 358 L HN 0.694 nan 8.230 nan 0.000 0.432 359 A N -2.453 120.432 122.820 0.108 0.000 2.235 359 A HA 0.014 4.334 4.320 -0.000 0.000 0.208 359 A C 2.261 179.901 177.584 0.092 0.000 1.172 359 A CA 1.125 53.237 52.037 0.125 0.000 0.786 359 A CB -0.456 18.598 19.000 0.091 0.000 0.804 359 A HN 0.460 nan 8.150 nan 0.000 0.479 360 S N -0.431 115.319 115.700 0.082 0.000 2.458 360 S HA 0.217 4.687 4.470 -0.000 0.000 0.223 360 S C 0.843 175.449 174.600 0.010 0.000 1.019 360 S CA -0.019 58.211 58.200 0.049 0.000 0.937 360 S CB -0.224 63.020 63.200 0.073 0.000 0.788 360 S HN 0.519 nan 8.310 nan 0.000 0.511 361 L N 1.479 122.723 121.223 0.034 0.000 2.479 361 L HA 0.256 4.596 4.340 -0.000 0.000 0.248 361 L C 1.008 177.874 176.870 -0.006 0.000 1.205 361 L CA -0.411 54.431 54.840 0.003 0.000 0.817 361 L CB 0.257 42.349 42.059 0.056 0.000 1.162 361 L HN 0.168 nan 8.230 nan 0.000 0.486 362 E N 0.164 120.339 120.200 -0.042 0.000 2.622 362 E HA 0.075 4.425 4.350 -0.000 0.000 0.255 362 E C -0.465 176.023 176.600 -0.186 0.000 1.313 362 E CA -0.645 55.698 56.400 -0.096 0.000 1.011 362 E CB 0.492 30.142 29.700 -0.084 0.000 1.173 362 E HN 0.280 nan 8.360 nan 0.000 0.601 363 K N 1.943 122.137 120.400 -0.343 0.000 2.167 363 K HA 0.116 4.436 4.320 -0.000 0.000 0.275 363 K C -0.450 175.976 176.600 -0.289 0.000 1.103 363 K CA -0.120 55.746 56.287 -0.702 0.000 0.963 363 K CB -0.501 31.616 32.500 -0.638 0.000 1.243 363 K HN 0.298 nan 8.250 nan 0.000 0.407 364 L N 3.564 124.752 121.223 -0.058 0.000 2.499 364 L HA 0.007 4.347 4.340 -0.000 0.000 0.273 364 L C 1.443 178.377 176.870 0.106 0.000 1.195 364 L CA -0.288 54.603 54.840 0.085 0.000 0.882 364 L CB 0.910 43.074 42.059 0.174 0.000 1.133 364 L HN 0.735 nan 8.230 nan 0.000 0.483 365 A N 2.063 124.919 122.820 0.060 0.000 2.016 365 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 365 A C 1.948 179.566 177.584 0.057 0.000 1.162 365 A CA 1.111 53.178 52.037 0.050 0.000 0.662 365 A CB -0.057 18.955 19.000 0.020 0.000 0.812 365 A HN 0.757 nan 8.150 nan 0.000 0.450 366 S N -0.659 115.077 115.700 0.061 0.000 2.523 366 S HA 0.223 4.693 4.470 -0.000 0.000 0.217 366 S C 1.506 176.131 174.600 0.042 0.000 0.996 366 S CA -0.205 58.022 58.200 0.046 0.000 0.921 366 S CB -0.015 63.210 63.200 0.041 0.000 0.829 366 S HN 0.482 nan 8.310 nan 0.000 0.495 367 L N 1.865 123.128 121.223 0.067 0.000 1.989 367 L HA -0.220 4.120 4.340 -0.000 0.000 0.211 367 L C 2.669 179.521 176.870 -0.031 0.000 1.071 367 L CA 1.785 56.646 54.840 0.034 0.000 0.749 367 L CB -0.718 41.396 42.059 0.091 0.000 0.890 367 L HN 0.411 nan 8.230 nan 0.000 0.431 368 A N -0.157 122.662 122.820 -0.001 0.000 1.859 368 A HA -0.303 4.017 4.320 -0.000 0.000 0.217 368 A C 1.898 179.452 177.584 -0.049 0.000 1.198 368 A CA 2.231 54.247 52.037 -0.034 0.000 0.629 368 A CB -0.889 18.114 19.000 0.006 0.000 0.830 368 A HN 0.529 nan 8.150 nan 0.000 0.446 369 D N -0.104 120.284 120.400 -0.021 0.000 2.123 369 D HA -0.120 4.520 4.640 -0.000 0.000 0.196 369 D C 2.251 178.528 176.300 -0.038 0.000 0.992 369 D CA 1.609 55.596 54.000 -0.020 0.000 0.833 369 D CB -0.480 40.319 40.800 -0.002 0.000 0.954 369 D HN 0.452 nan 8.370 nan 0.000 0.455 370 A N 0.805 123.596 122.820 -0.048 0.000 1.940 370 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 370 A C 2.361 179.861 177.584 -0.139 0.000 1.176 370 A CA 0.991 52.987 52.037 -0.068 0.000 0.631 370 A CB -0.731 18.232 19.000 -0.061 0.000 0.814 370 A HN 0.231 nan 8.150 nan 0.000 0.446 371 L N -1.306 119.777 121.223 -0.234 0.000 2.478 371 L HA -0.022 4.318 4.340 -0.000 0.000 0.223 371 L C 2.111 178.938 176.870 -0.073 0.000 1.140 371 L CA 1.196 55.800 54.840 -0.392 0.000 0.842 371 L CB -0.097 41.619 42.059 -0.571 0.000 0.953 371 L HN 0.321 nan 8.230 nan 0.000 0.452 372 T N -1.508 113.016 114.554 -0.050 0.000 3.000 372 T HA 0.068 4.418 4.350 -0.000 0.000 0.248 372 T C 1.309 176.006 174.700 -0.006 0.000 1.034 372 T CA 0.403 62.494 62.100 -0.014 0.000 1.060 372 T CB 0.393 69.246 68.868 -0.024 0.000 0.983 372 T HN 0.189 nan 8.240 nan 0.000 0.482 373 K N 0.764 121.158 120.400 -0.010 0.000 2.506 373 K HA 0.337 4.657 4.320 -0.000 0.000 0.204 373 K C 1.263 177.859 176.600 -0.008 0.000 1.045 373 K CA -0.178 56.103 56.287 -0.010 0.000 1.074 373 K CB 1.032 33.526 32.500 -0.010 0.000 0.842 373 K HN 0.142 nan 8.250 nan 0.000 0.514 374 G N 0.810 109.610 108.800 0.000 0.000 3.434 374 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.258 374 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.258 374 G C 1.113 176.000 174.900 -0.021 0.000 1.128 374 G CA -0.239 44.858 45.100 -0.004 0.000 0.792 374 G HN -0.000 nan 8.290 nan 0.000 0.539 375 R N 0.757 121.237 120.500 -0.033 0.000 2.066 375 R HA -0.012 4.328 4.340 -0.000 0.000 0.232 375 R C 2.019 178.279 176.300 -0.066 0.000 1.131 375 R CA 0.848 56.906 56.100 -0.069 0.000 0.955 375 R CB 0.020 30.278 30.300 -0.069 0.000 0.851 375 R HN 0.045 nan 8.270 nan 0.000 0.432 376 K N 0.190 120.562 120.400 -0.047 0.000 2.209 376 K HA -0.024 4.296 4.320 -0.000 0.000 0.204 376 K C 1.724 178.298 176.600 -0.044 0.000 1.048 376 K CA 1.276 57.538 56.287 -0.043 0.000 0.940 376 K CB -0.344 32.138 32.500 -0.030 0.000 0.729 376 K HN 0.195 nan 8.250 nan 0.000 0.451 377 A N -0.231 122.564 122.820 -0.042 0.000 2.169 377 A HA 0.257 4.577 4.320 -0.000 0.000 0.212 377 A C 1.296 178.840 177.584 -0.066 0.000 1.153 377 A CA 1.003 53.015 52.037 -0.041 0.000 0.756 377 A CB -0.249 18.738 19.000 -0.022 0.000 0.813 377 A HN 0.329 nan 8.150 nan 0.000 0.471 378 G N -1.021 107.726 108.800 -0.089 0.000 2.160 378 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.244 378 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.244 378 G C 0.064 174.853 174.900 -0.184 0.000 1.022 378 G CA 0.211 45.228 45.100 -0.138 0.000 0.741 378 G HN 0.578 nan 8.290 nan 0.000 0.508 379 L N 0.255 121.402 121.223 -0.128 0.000 2.410 379 L HA 0.487 4.827 4.340 -0.000 0.000 0.273 379 L C 0.455 177.234 176.870 -0.152 0.000 1.144 379 L CA 0.044 54.817 54.840 -0.112 0.000 0.863 379 L CB 0.356 42.400 42.059 -0.024 0.000 1.140 379 L HN 0.294 nan 8.230 nan 0.000 0.463 380 R N 4.089 124.398 120.500 -0.318 0.000 2.388 380 R HA 0.476 4.816 4.340 -0.000 0.000 0.314 380 R C -1.080 175.146 176.300 -0.124 0.000 0.959 380 R CA -0.591 55.240 56.100 -0.447 0.000 0.851 380 R CB 2.015 31.442 30.300 -1.455 0.000 1.168 380 R HN 0.371 nan 8.270 nan 0.000 0.472 381 V N 3.767 123.805 119.914 0.207 0.000 2.427 381 V HA 0.425 4.545 4.120 -0.000 0.000 0.286 381 V C -0.175 176.040 176.094 0.201 0.000 1.034 381 V CA -0.786 61.555 62.300 0.068 0.000 0.893 381 V CB 1.927 33.607 31.823 -0.238 0.000 0.982 381 V HN 0.407 nan 8.190 nan 0.000 0.452 382 V N 4.009 123.977 119.914 0.089 0.000 2.409 382 V HA 0.803 4.923 4.120 -0.000 0.000 0.290 382 V C 0.097 176.296 176.094 0.176 0.000 1.017 382 V CA -0.368 62.016 62.300 0.140 0.000 0.841 382 V CB 1.573 33.347 31.823 -0.081 0.000 1.003 382 V HN 1.019 nan 8.190 nan 0.000 0.426 383 A N 3.645 126.596 122.820 0.219 0.000 2.343 383 A HA 0.897 5.217 4.320 -0.000 0.000 0.316 383 A C 0.217 177.801 177.584 0.000 0.000 1.104 383 A CA -0.200 51.904 52.037 0.112 0.000 0.768 383 A CB 1.588 20.648 19.000 0.100 0.000 1.213 383 A HN 0.987 nan 8.150 nan 0.000 0.456 384 G N 0.045 108.877 108.800 0.054 0.000 2.420 384 G HA2 0.558 4.518 3.960 -0.000 0.000 0.284 384 G HA3 0.558 4.518 3.960 -0.000 0.000 0.284 384 G C -1.064 173.829 174.900 -0.012 0.000 1.177 384 G CA -0.235 44.882 45.100 0.028 0.000 0.841 384 G HN 1.103 nan 8.290 nan 0.000 0.527 385 L N 0.901 122.103 121.223 -0.034 0.000 2.491 385 L HA 0.368 4.708 4.340 -0.000 0.000 0.267 385 L C 0.987 177.849 176.870 -0.013 0.000 0.971 385 L CA -0.521 54.295 54.840 -0.039 0.000 0.857 385 L CB 1.832 43.830 42.059 -0.101 0.000 1.226 385 L HN 0.714 nan 8.230 nan 0.000 0.408 386 Q N 2.184 121.989 119.800 0.009 0.000 2.204 386 Q HA 0.151 4.491 4.340 -0.000 0.000 0.198 386 Q C -0.288 175.718 176.000 0.010 0.000 0.946 386 Q CA 0.678 56.490 55.803 0.015 0.000 0.859 386 Q CB 0.473 29.228 28.738 0.028 0.000 0.946 386 Q HN 0.595 nan 8.270 nan 0.000 0.474 387 S N -0.615 115.091 115.700 0.010 0.000 2.733 387 S HA 0.202 4.672 4.470 -0.000 0.000 0.294 387 S C 0.117 174.721 174.600 0.005 0.000 1.149 387 S CA -0.413 57.793 58.200 0.009 0.000 1.034 387 S CB 1.593 64.803 63.200 0.017 0.000 1.015 387 S HN 0.275 nan 8.310 nan 0.000 0.486 388 T N 2.941 117.493 114.554 -0.004 0.000 2.867 388 T HA -0.076 4.274 4.350 -0.000 0.000 0.268 388 T C 1.977 176.681 174.700 0.007 0.000 1.057 388 T CA 2.196 64.291 62.100 -0.008 0.000 1.136 388 T CB -0.276 68.583 68.868 -0.015 0.000 0.874 388 T HN 0.592 nan 8.240 nan 0.000 0.466 389 S N 0.030 115.736 115.700 0.011 0.000 2.368 389 S HA -0.128 4.342 4.470 -0.000 0.000 0.225 389 S C 2.175 176.791 174.600 0.026 0.000 1.030 389 S CA 1.721 59.931 58.200 0.016 0.000 0.999 389 S CB -0.486 62.722 63.200 0.012 0.000 0.844 389 S HN 0.696 nan 8.310 nan 0.000 0.459 390 Q N -0.357 119.460 119.800 0.029 0.000 2.167 390 Q HA -0.076 4.264 4.340 -0.000 0.000 0.202 390 Q C 2.130 178.169 176.000 0.065 0.000 0.970 390 Q CA 1.270 57.096 55.803 0.040 0.000 0.855 390 Q CB -0.178 28.582 28.738 0.038 0.000 0.911 390 Q HN 0.552 nan 8.270 nan 0.000 0.438 391 L N 1.078 122.341 121.223 0.068 0.000 2.093 391 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 391 L C 1.461 178.416 176.870 0.143 0.000 1.085 391 L CA 1.787 56.696 54.840 0.115 0.000 0.755 391 L CB -0.297 41.787 42.059 0.043 0.000 0.904 391 L HN 0.145 nan 8.230 nan 0.000 0.435 392 D N -0.580 119.868 120.400 0.081 0.000 2.144 392 D HA -0.205 4.435 4.640 -0.000 0.000 0.199 392 D C 1.739 178.082 176.300 0.072 0.000 0.984 392 D CA 1.376 55.421 54.000 0.074 0.000 0.834 392 D CB -0.098 40.726 40.800 0.040 0.000 0.955 392 D HN 0.428 nan 8.370 nan 0.000 0.465 393 D N -0.346 120.089 120.400 0.058 0.000 2.144 393 D HA -0.099 4.541 4.640 -0.000 0.000 0.200 393 D C 2.022 178.338 176.300 0.026 0.000 0.978 393 D CA 0.510 54.530 54.000 0.034 0.000 0.833 393 D CB 0.284 41.099 40.800 0.025 0.000 0.961 393 D HN -0.030 nan 8.370 nan 0.000 0.470 394 V N -0.515 119.433 119.914 0.056 0.000 2.302 394 V HA -0.167 3.953 4.120 -0.000 0.000 0.243 394 V C 1.620 177.650 176.094 -0.108 0.000 1.036 394 V CA 1.314 63.601 62.300 -0.021 0.000 1.020 394 V CB -0.582 31.248 31.823 0.012 0.000 0.657 394 V HN 0.230 nan 8.190 nan 0.000 0.453 395 Y N 0.520 120.820 120.300 0.001 0.000 2.510 395 Y HA 0.505 5.054 4.550 -0.000 0.000 0.273 395 Y C 1.336 177.233 175.900 -0.006 0.000 1.119 395 Y CA 0.465 58.566 58.100 0.000 0.000 1.286 395 Y CB 0.044 38.511 38.460 0.011 0.000 1.061 395 Y HN 0.371 nan 8.280 nan 0.000 0.542 396 G N -0.573 108.304 108.800 0.128 0.000 2.712 396 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.686 396 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.686 396 G C 0.379 175.325 174.900 0.077 0.000 1.181 396 G CA -0.502 44.640 45.100 0.069 0.000 0.762 396 G HN -0.043 nan 8.290 nan 0.000 0.641 397 V N 2.333 122.274 119.914 0.045 0.000 2.282 397 V HA -0.222 3.898 4.120 -0.000 0.000 0.249 397 V C 3.026 179.140 176.094 0.033 0.000 1.057 397 V CA 2.661 64.982 62.300 0.035 0.000 1.032 397 V CB -0.535 31.300 31.823 0.020 0.000 0.645 397 V HN 0.768 nan 8.190 nan 0.000 0.447 398 K N 0.113 120.532 120.400 0.031 0.000 1.985 398 K HA -0.222 4.098 4.320 -0.000 0.000 0.210 398 K C 2.167 178.788 176.600 0.034 0.000 1.047 398 K CA 1.963 58.266 56.287 0.026 0.000 0.932 398 K CB -0.561 31.952 32.500 0.021 0.000 0.716 398 K HN 0.617 nan 8.250 nan 0.000 0.439 399 E N 0.429 120.663 120.200 0.057 0.000 2.153 399 E HA -0.135 4.215 4.350 -0.000 0.000 0.194 399 E C 1.771 178.398 176.600 0.045 0.000 0.988 399 E CA 1.034 57.481 56.400 0.077 0.000 0.811 399 E CB 0.006 29.792 29.700 0.143 0.000 0.746 399 E HN 0.306 nan 8.360 nan 0.000 0.466 400 A N 0.640 123.493 122.820 0.054 0.000 1.969 400 A HA -0.215 4.104 4.320 -0.000 0.000 0.218 400 A C 2.117 179.679 177.584 -0.037 0.000 1.169 400 A CA 1.462 53.486 52.037 -0.022 0.000 0.635 400 A CB -0.482 18.541 19.000 0.039 0.000 0.810 400 A HN 0.388 nan 8.150 nan 0.000 0.445 401 Q N -0.641 119.157 119.800 -0.004 0.000 2.079 401 Q HA -0.147 4.193 4.340 -0.000 0.000 0.200 401 Q C 1.985 177.988 176.000 0.005 0.000 0.974 401 Q CA 1.999 57.803 55.803 0.000 0.000 0.840 401 Q CB -0.254 28.489 28.738 0.008 0.000 0.898 401 Q HN 0.583 nan 8.270 nan 0.000 0.430 402 T N 1.762 116.319 114.554 0.005 0.000 2.720 402 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 402 T C 1.738 176.442 174.700 0.007 0.000 1.037 402 T CA 1.200 63.305 62.100 0.009 0.000 1.144 402 T CB -0.309 68.564 68.868 0.009 0.000 0.864 402 T HN 0.193 nan 8.240 nan 0.000 0.444 403 L N 1.472 122.678 121.223 -0.028 0.000 1.970 403 L HA -0.079 4.261 4.340 -0.000 0.000 0.212 403 L C 2.525 179.464 176.870 0.115 0.000 1.071 403 L CA 1.785 56.603 54.840 -0.036 0.000 0.751 403 L CB -0.517 41.398 42.059 -0.239 0.000 0.889 403 L HN 0.097 nan 8.230 nan 0.000 0.432 404 R N -0.631 119.906 120.500 0.061 0.000 2.105 404 R HA -0.134 4.206 4.340 -0.000 0.000 0.239 404 R C 2.089 178.501 176.300 0.187 0.000 1.135 404 R CA 1.304 57.464 56.100 0.099 0.000 0.967 404 R CB -0.751 29.542 30.300 -0.012 0.000 0.861 404 R HN 0.525 nan 8.270 nan 0.000 0.442 405 A N 0.514 123.401 122.820 0.111 0.000 2.172 405 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 405 A C 1.900 179.552 177.584 0.114 0.000 1.154 405 A CA 1.144 53.240 52.037 0.097 0.000 0.701 405 A CB -0.132 18.899 19.000 0.052 0.000 0.789 405 A HN 0.177 nan 8.150 nan 0.000 0.465 406 S N -0.922 114.854 115.700 0.127 0.000 2.562 406 S HA 0.201 4.671 4.470 -0.000 0.000 0.221 406 S C -0.238 174.351 174.600 -0.018 0.000 0.975 406 S CA 0.067 58.281 58.200 0.023 0.000 0.918 406 S CB -0.275 62.873 63.200 -0.086 0.000 0.772 406 S HN 0.451 nan 8.310 nan 0.000 0.531 407 F N 1.739 121.729 119.950 0.066 0.000 2.404 407 F HA 0.445 4.972 4.527 -0.000 0.000 0.354 407 F C 1.265 177.114 175.800 0.081 0.000 1.122 407 F CA -0.952 57.114 58.000 0.111 0.000 1.080 407 F CB 0.957 40.001 39.000 0.073 0.000 1.131 407 F HN -0.229 nan 8.300 nan 0.000 0.471 408 R N 0.590 121.212 120.500 0.204 0.000 2.210 408 R HA 0.156 4.496 4.340 -0.000 0.000 0.203 408 R C 0.129 176.520 176.300 0.151 0.000 1.010 408 R CA 0.229 56.411 56.100 0.137 0.000 1.008 408 R CB -0.114 30.228 30.300 0.070 0.000 0.923 408 R HN 0.397 nan 8.270 nan 0.000 0.469 409 S N 0.804 116.620 115.700 0.194 0.000 2.549 409 S HA 0.552 5.022 4.470 -0.000 0.000 0.297 409 S C -0.687 173.987 174.600 0.123 0.000 1.115 409 S CA -0.652 57.651 58.200 0.173 0.000 1.059 409 S CB 1.954 65.311 63.200 0.262 0.000 1.046 409 S HN 0.081 nan 8.310 nan 0.000 0.506 410 L N 2.828 124.070 121.223 0.031 0.000 2.388 410 L HA 0.850 5.190 4.340 -0.000 0.000 0.264 410 L C -1.625 175.214 176.870 -0.053 0.000 0.998 410 L CA -0.476 54.363 54.840 -0.001 0.000 0.817 410 L CB 1.924 43.984 42.059 0.003 0.000 1.338 410 L HN 0.458 nan 8.230 nan 0.000 0.414 411 V N 4.196 124.091 119.914 -0.032 0.000 2.686 411 V HA 0.558 4.678 4.120 -0.000 0.000 0.306 411 V C -0.947 175.153 176.094 0.010 0.000 1.065 411 V CA -0.652 61.634 62.300 -0.023 0.000 0.894 411 V CB 2.116 33.928 31.823 -0.019 0.000 1.004 411 V HN 0.525 nan 8.190 nan 0.000 0.424 412 V N 6.230 126.176 119.914 0.053 0.000 2.357 412 V HA 0.352 4.472 4.120 -0.000 0.000 0.284 412 V C 0.196 176.355 176.094 0.108 0.000 1.018 412 V CA -0.176 62.167 62.300 0.072 0.000 0.841 412 V CB 1.503 33.371 31.823 0.074 0.000 0.991 412 V HN 0.711 nan 8.190 nan 0.000 0.437 413 L N 3.959 125.222 121.223 0.067 0.000 2.640 413 L HA 0.570 4.910 4.340 -0.000 0.000 0.230 413 L C 1.142 178.052 176.870 0.066 0.000 1.123 413 L CA 0.947 55.824 54.840 0.062 0.000 0.900 413 L CB -0.466 41.616 42.059 0.039 0.000 1.146 413 L HN 0.993 nan 8.230 nan 0.000 0.484 414 G N -1.138 107.703 108.800 0.070 0.000 2.722 414 G HA2 0.093 4.053 3.960 -0.000 0.000 0.686 414 G HA3 0.093 4.053 3.960 -0.000 0.000 0.686 414 G C 0.188 175.108 174.900 0.034 0.000 1.282 414 G CA -0.603 44.532 45.100 0.058 0.000 0.817 414 G HN 0.486 nan 8.290 nan 0.000 0.605 415 G N -0.364 108.450 108.800 0.024 0.000 2.537 415 G HA2 0.771 4.731 3.960 -0.000 0.000 0.297 415 G HA3 0.771 4.731 3.960 -0.000 0.000 0.297 415 G C 0.553 175.463 174.900 0.018 0.000 1.310 415 G CA 0.805 45.914 45.100 0.016 0.000 1.027 415 G HN 1.778 nan 8.290 nan 0.000 0.505 416 S N -1.814 113.894 115.700 0.014 0.000 2.646 416 S HA 0.218 4.688 4.470 -0.000 0.000 0.276 416 S C 1.699 176.306 174.600 0.011 0.000 1.222 416 S CA -0.488 57.719 58.200 0.013 0.000 1.014 416 S CB 0.863 64.070 63.200 0.011 0.000 0.991 416 S HN 0.622 nan 8.310 nan 0.000 0.533 417 R N 0.925 121.431 120.500 0.010 0.000 2.316 417 R HA 0.008 4.348 4.340 -0.000 0.000 0.202 417 R C 1.331 177.635 176.300 0.006 0.000 1.029 417 R CA 1.348 57.452 56.100 0.008 0.000 1.018 417 R CB -1.128 29.176 30.300 0.008 0.000 0.888 417 R HN 0.661 nan 8.270 nan 0.000 0.471 418 T N -2.870 111.688 114.554 0.007 0.000 3.129 418 T HA -0.014 4.336 4.350 -0.000 0.000 0.251 418 T C 0.348 175.051 174.700 0.005 0.000 1.117 418 T CA 0.156 62.259 62.100 0.006 0.000 1.034 418 T CB 0.209 69.080 68.868 0.006 0.000 0.968 418 T HN 0.080 nan 8.240 nan 0.000 0.526 419 D N 1.935 122.338 120.400 0.005 0.000 2.749 419 D HA 0.278 4.918 4.640 -0.000 0.000 0.338 419 D C -1.579 174.722 176.300 0.002 0.000 1.236 419 D CA -2.442 51.561 54.000 0.004 0.000 0.845 419 D CB 1.216 42.019 40.800 0.005 0.000 1.080 419 D HN 0.053 nan 8.370 nan 0.000 0.497 420 P HA -0.204 nan 4.420 nan 0.000 0.218 420 P C 1.415 178.714 177.300 -0.003 0.000 1.148 420 P CA 0.833 63.933 63.100 -0.001 0.000 0.822 420 P CB 0.563 32.263 31.700 -0.000 0.000 0.784 421 K N -0.354 120.045 120.400 -0.002 0.000 2.057 421 K HA -0.094 4.226 4.320 -0.000 0.000 0.207 421 K C 2.022 178.618 176.600 -0.006 0.000 1.049 421 K CA 1.766 58.051 56.287 -0.004 0.000 0.931 421 K CB -0.432 32.067 32.500 -0.002 0.000 0.714 421 K HN 0.002 nan 8.250 nan 0.000 0.440 422 T N 1.339 115.891 114.554 -0.004 0.000 2.821 422 T HA -0.052 4.298 4.350 -0.000 0.000 0.267 422 T C 1.460 176.154 174.700 -0.009 0.000 1.046 422 T CA 1.157 63.253 62.100 -0.006 0.000 1.139 422 T CB -0.215 68.652 68.868 -0.002 0.000 0.871 422 T HN 0.298 nan 8.240 nan 0.000 0.454 423 N N 1.158 119.854 118.700 -0.007 0.000 2.223 423 N HA -0.098 4.642 4.740 -0.000 0.000 0.185 423 N C 1.918 177.416 175.510 -0.020 0.000 1.016 423 N CA 0.996 54.040 53.050 -0.011 0.000 0.863 423 N CB -0.274 38.210 38.487 -0.005 0.000 0.983 423 N HN 0.462 nan 8.380 nan 0.000 0.429 424 E N 1.319 121.509 120.200 -0.017 0.000 2.107 424 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 424 E C 1.415 178.000 176.600 -0.025 0.000 0.982 424 E CA 1.016 57.404 56.400 -0.021 0.000 0.809 424 E CB -0.279 29.412 29.700 -0.015 0.000 0.756 424 E HN 0.124 nan 8.360 nan 0.000 0.459 425 D N -0.266 120.122 120.400 -0.021 0.000 2.097 425 D HA -0.148 4.492 4.640 -0.000 0.000 0.195 425 D C 1.911 178.193 176.300 -0.030 0.000 0.989 425 D CA 1.509 55.496 54.000 -0.022 0.000 0.827 425 D CB -0.120 40.670 40.800 -0.017 0.000 0.966 425 D HN 0.292 nan 8.370 nan 0.000 0.456 426 M N -0.295 119.285 119.600 -0.034 0.000 2.132 426 M HA -0.120 4.360 4.480 -0.000 0.000 0.263 426 M C 2.454 178.710 176.300 -0.073 0.000 1.065 426 M CA 1.185 56.457 55.300 -0.046 0.000 1.122 426 M CB -0.326 32.251 32.600 -0.039 0.000 1.365 426 M HN -0.062 nan 8.290 nan 0.000 0.411 427 S N 0.895 116.551 115.700 -0.074 0.000 2.359 427 S HA -0.151 4.319 4.470 -0.000 0.000 0.224 427 S C 1.873 176.427 174.600 -0.078 0.000 1.035 427 S CA 1.171 59.316 58.200 -0.092 0.000 1.018 427 S CB -0.339 62.821 63.200 -0.068 0.000 0.876 427 S HN 0.500 nan 8.310 nan 0.000 0.448 428 L N 0.904 122.095 121.223 -0.053 0.000 2.083 428 L HA -0.079 4.261 4.340 -0.000 0.000 0.209 428 L C 2.422 179.268 176.870 -0.040 0.000 1.083 428 L CA 1.700 56.515 54.840 -0.042 0.000 0.752 428 L CB -0.750 41.291 42.059 -0.029 0.000 0.899 428 L HN 0.378 nan 8.230 nan 0.000 0.433 429 S N 0.013 115.689 115.700 -0.041 0.000 2.368 429 S HA -0.159 4.311 4.470 -0.000 0.000 0.225 429 S C 1.766 176.343 174.600 -0.038 0.000 1.030 429 S CA 0.907 59.088 58.200 -0.032 0.000 0.999 429 S CB -0.193 62.989 63.200 -0.030 0.000 0.844 429 S HN 0.233 nan 8.310 nan 0.000 0.459 430 L N 0.990 122.172 121.223 -0.069 0.000 2.131 430 L HA 0.129 4.469 4.340 -0.000 0.000 0.210 430 L C 1.470 178.306 176.870 -0.056 0.000 1.092 430 L CA 1.505 56.295 54.840 -0.083 0.000 0.759 430 L CB -1.878 40.078 42.059 -0.173 0.000 0.903 430 L HN 0.495 nan 8.230 nan 0.000 0.435 431 G N -0.657 108.108 108.800 -0.057 0.000 2.746 431 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.685 431 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.685 431 G C -0.297 174.560 174.900 -0.072 0.000 1.350 431 G CA -0.515 44.558 45.100 -0.045 0.000 0.837 431 G HN 0.216 nan 8.290 nan 0.000 0.564 432 E N -0.154 120.008 120.200 -0.064 0.000 2.254 432 E HA 0.637 4.987 4.350 -0.000 0.000 0.258 432 E C 0.339 176.906 176.600 -0.055 0.000 1.033 432 E CA -0.483 55.853 56.400 -0.106 0.000 0.893 432 E CB 1.255 30.912 29.700 -0.073 0.000 1.204 432 E HN 0.807 nan 8.360 nan 0.000 0.425 433 H N -1.535 117.441 119.070 -0.155 0.000 2.895 433 H HA 0.510 5.066 4.556 -0.000 0.000 0.373 433 H C -1.168 173.941 175.328 -0.364 0.000 1.174 433 H CA -1.008 54.884 56.048 -0.260 0.000 1.144 433 H CB 1.995 31.611 29.762 -0.244 0.000 1.793 433 H HN 0.393 nan 8.280 nan 0.000 0.551 434 E N 2.298 122.274 120.200 -0.372 0.000 2.151 434 E HA 0.475 4.825 4.350 -0.000 0.000 0.275 434 E C -1.542 174.663 176.600 -0.658 0.000 0.936 434 E CA -0.874 55.298 56.400 -0.379 0.000 0.777 434 E CB 2.120 31.645 29.700 -0.291 0.000 1.108 434 E HN 0.401 nan 8.360 nan 0.000 0.401 435 V N 3.554 123.129 119.914 -0.565 0.000 3.078 435 V HA 0.323 4.443 4.120 -0.000 0.000 0.311 435 V C -1.014 174.902 176.094 -0.297 0.000 1.138 435 V CA -0.787 61.129 62.300 -0.639 0.000 1.007 435 V CB 2.411 33.541 31.823 -1.155 0.000 1.045 435 V HN 0.714 nan 8.190 nan 0.000 0.432 436 E N 2.715 122.818 120.200 -0.161 0.000 2.158 436 E HA 0.604 4.954 4.350 -0.000 0.000 0.271 436 E C -0.854 175.777 176.600 0.053 0.000 0.911 436 E CA -0.647 55.728 56.400 -0.041 0.000 0.767 436 E CB 2.594 32.285 29.700 -0.016 0.000 1.120 436 E HN 0.385 nan 8.360 nan 0.000 0.405 437 R N 1.434 121.968 120.500 0.056 0.000 2.854 437 R HA 0.273 4.613 4.340 -0.000 0.000 0.271 437 R C -0.999 175.343 176.300 0.069 0.000 0.994 437 R CA -0.877 55.285 56.100 0.103 0.000 0.945 437 R CB 1.545 31.920 30.300 0.125 0.000 1.194 437 R HN 0.447 nan 8.270 nan 0.000 0.476 438 D N 1.454 121.897 120.400 0.072 0.000 2.304 438 D HA 0.297 4.937 4.640 -0.000 0.000 0.247 438 D C 0.051 176.379 176.300 0.046 0.000 1.089 438 D CA 0.365 54.395 54.000 0.050 0.000 0.910 438 D CB 0.813 41.640 40.800 0.045 0.000 1.199 438 D HN 0.350 nan 8.370 nan 0.000 0.426 454 L N 0.006 121.237 121.223 0.014 0.000 2.211 454 L HA 0.764 5.104 4.340 -0.000 0.000 0.259 454 L C -0.626 176.251 176.870 0.011 0.000 1.031 454 L CA -0.701 54.148 54.840 0.016 0.000 0.877 454 L CB 1.831 43.899 42.059 0.014 0.000 1.457 454 L HN 0.910 nan 8.230 nan 0.000 0.466 455 E N -0.401 119.804 120.200 0.008 0.000 2.347 455 E HA 0.492 4.842 4.350 -0.000 0.000 0.285 455 E C -1.652 174.938 176.600 -0.017 0.000 0.925 455 E CA -1.102 55.297 56.400 -0.001 0.000 0.779 455 E CB 1.534 31.239 29.700 0.009 0.000 1.233 455 E HN 0.430 nan 8.360 nan 0.000 0.414 456 R N 1.350 121.831 120.500 -0.032 0.000 2.254 456 R HA 0.659 4.999 4.340 -0.000 0.000 0.318 456 R C -0.734 175.531 176.300 -0.058 0.000 1.031 456 R CA -0.750 55.313 56.100 -0.061 0.000 0.905 456 R CB 1.440 31.700 30.300 -0.066 0.000 1.050 456 R HN 0.319 nan 8.270 nan 0.000 0.456 457 V N 3.154 123.019 119.914 -0.082 0.000 2.841 457 V HA 0.484 4.604 4.120 -0.000 0.000 0.310 457 V C -0.161 175.891 176.094 -0.071 0.000 1.090 457 V CA -0.986 61.281 62.300 -0.055 0.000 0.930 457 V CB 2.260 34.074 31.823 -0.016 0.000 1.014 457 V HN 0.697 nan 8.190 nan 0.000 0.425 458 R N 2.906 123.383 120.500 -0.038 0.000 2.460 458 R HA 0.741 5.081 4.340 -0.000 0.000 0.303 458 R C -0.770 175.532 176.300 0.004 0.000 0.968 458 R CA -0.507 55.577 56.100 -0.028 0.000 0.889 458 R CB 1.679 31.955 30.300 -0.040 0.000 1.123 458 R HN 0.947 nan 8.270 nan 0.000 0.455 459 E N 2.104 122.309 120.200 0.007 0.000 2.407 459 E HA 0.343 4.693 4.350 -0.000 0.000 0.279 459 E C -1.062 175.444 176.600 -0.157 0.000 1.012 459 E CA -1.239 55.145 56.400 -0.026 0.000 0.800 459 E CB 1.114 30.856 29.700 0.070 0.000 1.276 459 E HN 0.101 nan 8.360 nan 0.000 0.452 460 R N 1.005 121.450 120.500 -0.090 0.000 2.537 460 R HA 0.099 4.439 4.340 -0.000 0.000 0.280 460 R C 0.883 177.099 176.300 -0.139 0.000 1.058 460 R CA -0.079 55.952 56.100 -0.114 0.000 1.057 460 R CB 0.832 31.099 30.300 -0.054 0.000 0.973 460 R HN 0.522 nan 8.270 nan 0.000 0.438 461 V N 2.467 122.254 119.914 -0.212 0.000 2.548 461 V HA -0.092 4.028 4.120 -0.000 0.000 0.249 461 V C 0.891 177.062 176.094 0.127 0.000 1.055 461 V CA 1.307 63.537 62.300 -0.116 0.000 1.065 461 V CB 0.107 31.858 31.823 -0.119 0.000 0.681 461 V HN 0.391 nan 8.190 nan 0.000 0.462 462 V N 1.022 120.912 119.914 -0.039 0.000 2.409 462 V HA 0.375 4.495 4.120 -0.000 0.000 0.290 462 V C -0.182 175.864 176.094 -0.080 0.000 1.017 462 V CA -0.455 61.785 62.300 -0.099 0.000 0.841 462 V CB 1.537 33.126 31.823 -0.390 0.000 1.003 462 V HN 0.250 nan 8.190 nan 0.000 0.426 463 M N 5.631 125.212 119.600 -0.033 0.000 2.240 463 M HA 0.208 4.688 4.480 -0.000 0.000 0.333 463 M C -1.349 174.931 176.300 -0.034 0.000 1.110 463 M CA -1.152 54.132 55.300 -0.027 0.000 1.173 463 M CB 1.055 33.648 32.600 -0.012 0.000 1.458 463 M HN 0.315 nan 8.290 nan 0.000 0.458 464 P HA -0.156 nan 4.420 nan 0.000 0.216 464 P C 0.719 178.013 177.300 -0.010 0.000 1.150 464 P CA 1.551 64.637 63.100 -0.024 0.000 0.837 464 P CB 0.022 31.711 31.700 -0.018 0.000 0.786 465 A N -0.213 122.604 122.820 -0.005 0.000 1.969 465 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 465 A C 2.083 179.674 177.584 0.012 0.000 1.169 465 A CA 1.383 53.422 52.037 0.002 0.000 0.635 465 A CB -0.987 18.013 19.000 0.000 0.000 0.810 465 A HN 0.191 nan 8.150 nan 0.000 0.445 466 E N -0.274 119.934 120.200 0.013 0.000 2.150 466 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 466 E C 1.745 178.390 176.600 0.074 0.000 0.985 466 E CA 1.052 57.477 56.400 0.042 0.000 0.814 466 E CB -0.229 29.499 29.700 0.047 0.000 0.752 466 E HN 0.713 nan 8.360 nan 0.000 0.466 467 I N 0.923 121.521 120.570 0.047 0.000 2.439 467 I HA -0.163 4.007 4.170 -0.000 0.000 0.251 467 I C 2.443 178.591 176.117 0.052 0.000 1.139 467 I CA 0.609 61.947 61.300 0.064 0.000 1.438 467 I CB -0.186 37.820 38.000 0.009 0.000 1.085 467 I HN 0.039 nan 8.210 nan 0.000 0.427 468 A N 0.534 123.373 122.820 0.031 0.000 2.014 468 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 468 A C 1.831 179.431 177.584 0.027 0.000 1.163 468 A CA 1.180 53.231 52.037 0.024 0.000 0.652 468 A CB -0.355 18.653 19.000 0.014 0.000 0.808 468 A HN 0.395 nan 8.150 nan 0.000 0.449 469 N N -0.239 118.481 118.700 0.032 0.000 2.280 469 N HA 0.155 4.895 4.740 -0.000 0.000 0.192 469 N C -0.156 175.375 175.510 0.036 0.000 1.109 469 N CA -0.061 53.006 53.050 0.028 0.000 0.855 469 N CB 0.210 38.710 38.487 0.023 0.000 0.974 469 N HN 0.387 nan 8.380 nan 0.000 0.482 470 L N 3.903 125.158 121.223 0.054 0.000 2.584 470 L HA 0.072 4.412 4.340 -0.000 0.000 0.272 470 L C -1.616 175.270 176.870 0.027 0.000 1.195 470 L CA -0.847 54.026 54.840 0.055 0.000 0.920 470 L CB 0.344 42.457 42.059 0.091 0.000 1.173 470 L HN -0.097 nan 8.230 nan 0.000 0.489 471 P HA 0.049 nan 4.420 nan 0.000 0.272 471 P C -0.681 176.620 177.300 0.002 0.000 1.230 471 P CA -0.482 62.620 63.100 0.003 0.000 0.788 471 P CB 0.809 32.506 31.700 -0.005 0.000 0.949 472 D N 1.054 121.456 120.400 0.004 0.000 2.361 472 D HA 0.061 4.701 4.640 -0.000 0.000 0.239 472 D C 1.211 177.511 176.300 -0.000 0.000 1.200 472 D CA 0.096 54.099 54.000 0.006 0.000 0.915 472 D CB 0.322 41.126 40.800 0.007 0.000 1.170 472 D HN 0.444 nan 8.370 nan 0.000 0.444 473 L N -0.151 121.074 121.223 0.004 0.000 4.040 473 L HA -0.229 4.111 4.340 -0.000 0.000 0.410 473 L C -0.194 176.669 176.870 -0.013 0.000 1.187 473 L CA 0.544 55.385 54.840 0.002 0.000 0.956 473 L CB -1.922 40.138 42.059 0.002 0.000 2.022 473 L HN 0.328 nan 8.230 nan 0.000 0.897 474 T N -0.329 114.212 114.554 -0.021 0.000 2.848 474 T HA 0.809 5.159 4.350 -0.000 0.000 0.285 474 T C -0.021 174.640 174.700 -0.064 0.000 0.995 474 T CA 0.143 62.207 62.100 -0.060 0.000 0.970 474 T CB 2.156 70.979 68.868 -0.075 0.000 0.976 474 T HN 0.363 nan 8.240 nan 0.000 0.441 475 A N 2.461 125.216 122.820 -0.107 0.000 2.515 475 A HA 0.813 5.133 4.320 -0.000 0.000 0.296 475 A C -2.011 175.482 177.584 -0.152 0.000 1.094 475 A CA -0.760 51.237 52.037 -0.066 0.000 0.718 475 A CB 1.204 20.197 19.000 -0.012 0.000 1.307 475 A HN 0.774 nan 8.150 nan 0.000 0.408 476 Y N 0.418 120.707 120.300 -0.018 0.000 2.331 476 Y HA 0.495 5.045 4.550 -0.000 0.000 0.338 476 Y C 0.033 175.893 175.900 -0.066 0.000 0.992 476 Y CA -0.275 57.811 58.100 -0.024 0.000 1.121 476 Y CB 2.025 40.478 38.460 -0.011 0.000 1.184 476 Y HN 0.384 nan 8.280 nan 0.000 0.469 477 V N 3.013 122.948 119.914 0.036 0.000 2.370 477 V HA 0.668 4.788 4.120 -0.000 0.000 0.283 477 V C 0.207 176.201 176.094 -0.167 0.000 1.023 477 V CA -0.675 61.535 62.300 -0.149 0.000 0.857 477 V CB 1.466 33.140 31.823 -0.249 0.000 0.985 477 V HN 0.929 nan 8.190 nan 0.000 0.443 478 G N 4.270 112.937 108.800 -0.221 0.000 3.418 478 G HA2 0.556 4.516 3.960 -0.000 0.000 0.325 478 G HA3 0.556 4.516 3.960 -0.000 0.000 0.325 478 G C -0.723 174.112 174.900 -0.109 0.000 1.556 478 G CA -0.303 44.731 45.100 -0.109 0.000 1.047 478 G HN 0.352 nan 8.290 nan 0.000 0.500 479 F N 1.728 121.720 119.950 0.069 0.000 2.490 479 F HA 0.471 4.998 4.527 -0.000 0.000 0.336 479 F C 1.354 177.185 175.800 0.051 0.000 1.178 479 F CA 0.102 58.140 58.000 0.063 0.000 1.301 479 F CB 0.873 39.906 39.000 0.055 0.000 1.175 479 F HN 0.541 nan 8.300 nan 0.000 0.593 480 A N 1.530 124.518 122.820 0.280 0.000 2.507 480 A HA 0.459 4.779 4.320 -0.000 0.000 0.235 480 A C 0.874 178.529 177.584 0.119 0.000 1.070 480 A CA 0.367 52.495 52.037 0.153 0.000 0.768 480 A CB -0.898 18.168 19.000 0.110 0.000 1.011 480 A HN 1.664 nan 8.150 nan 0.000 0.502 481 G N 0.679 109.527 108.800 0.081 0.000 2.593 481 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.237 481 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.237 481 G C 0.062 175.001 174.900 0.066 0.000 1.312 481 G CA 0.273 45.410 45.100 0.061 0.000 0.896 481 G HN 1.626 nan 8.290 nan 0.000 0.574 482 N N 1.674 120.405 118.700 0.052 0.000 3.124 482 N HA 0.326 5.066 4.740 -0.000 0.000 0.284 482 N C 0.195 175.737 175.510 0.054 0.000 1.209 482 N CA 0.085 53.166 53.050 0.050 0.000 1.149 482 N CB -0.218 38.291 38.487 0.038 0.000 1.434 482 N HN 0.554 nan 8.380 nan 0.000 0.529 483 R N 1.714 122.260 120.500 0.077 0.000 2.750 483 R HA 0.550 4.890 4.340 -0.000 0.000 0.281 483 R C -2.450 173.900 176.300 0.084 0.000 0.972 483 R CA -1.586 54.570 56.100 0.093 0.000 0.912 483 R CB 1.195 31.595 30.300 0.166 0.000 1.187 483 R HN 0.352 nan 8.270 nan 0.000 0.464 484 P HA 0.330 nan 4.420 nan 0.000 0.276 484 P C -0.035 177.318 177.300 0.089 0.000 1.252 484 P CA -0.514 62.618 63.100 0.054 0.000 0.802 484 P CB 0.801 32.513 31.700 0.020 0.000 1.035 485 I N -2.262 118.364 120.570 0.092 0.000 2.783 485 I HA 0.824 4.994 4.170 -0.000 0.000 0.312 485 I C -0.639 175.562 176.117 0.140 0.000 0.988 485 I CA -1.219 60.147 61.300 0.110 0.000 1.182 485 I CB 1.689 39.760 38.000 0.118 0.000 1.368 485 I HN 0.376 nan 8.210 nan 0.000 0.511 486 A N 3.369 126.275 122.820 0.144 0.000 2.520 486 A HA 0.494 4.814 4.320 -0.000 0.000 0.298 486 A C -1.032 176.575 177.584 0.039 0.000 1.051 486 A CA -0.847 51.258 52.037 0.113 0.000 0.690 486 A CB 1.551 20.595 19.000 0.073 0.000 1.281 486 A HN 0.803 nan 8.150 nan 0.000 0.402 487 K N 2.050 122.405 120.400 -0.076 0.000 2.285 487 K HA 0.575 4.895 4.320 -0.000 0.000 0.286 487 K C -1.238 175.234 176.600 -0.213 0.000 1.072 487 K CA -0.114 55.922 56.287 -0.418 0.000 0.913 487 K CB 0.585 32.767 32.500 -0.529 0.000 1.067 487 K HN 0.465 nan 8.250 nan 0.000 0.479 488 V N 6.345 126.143 119.914 -0.192 0.000 2.823 488 V HA 0.504 4.624 4.120 -0.000 0.000 0.312 488 V C -2.322 173.719 176.094 -0.088 0.000 1.072 488 V CA -1.858 60.385 62.300 -0.094 0.000 0.937 488 V CB 1.875 33.675 31.823 -0.038 0.000 1.013 488 V HN 0.853 nan 8.190 nan 0.000 0.430 489 P HA 0.430 nan 4.420 nan 0.000 0.292 489 P C -1.117 176.175 177.300 -0.013 0.000 1.283 489 P CA -0.461 62.616 63.100 -0.039 0.000 0.835 489 P CB 1.658 33.339 31.700 -0.031 0.000 1.017 490 L N 2.094 123.313 121.223 -0.006 0.000 2.305 490 L HA 0.313 4.653 4.340 -0.000 0.000 0.281 490 L C 0.936 177.815 176.870 0.015 0.000 1.085 490 L CA -0.340 54.509 54.840 0.015 0.000 0.813 490 L CB 0.713 42.785 42.059 0.022 0.000 1.157 490 L HN 0.436 nan 8.230 nan 0.000 0.436 491 E N 3.529 123.743 120.200 0.024 0.000 2.156 491 E HA 0.324 4.674 4.350 -0.000 0.000 0.279 491 E C -0.708 175.902 176.600 0.017 0.000 0.965 491 E CA -0.663 55.744 56.400 0.013 0.000 0.789 491 E CB 1.085 30.791 29.700 0.010 0.000 1.098 491 E HN 0.423 nan 8.360 nan 0.000 0.397 492 I N 5.761 126.331 120.570 0.000 0.000 2.293 492 I HA 0.087 4.257 4.170 -0.000 0.000 0.299 492 I C 0.337 176.426 176.117 -0.047 0.000 1.153 492 I CA -0.275 61.026 61.300 0.001 0.000 1.302 492 I CB -0.197 37.801 38.000 -0.004 0.000 1.460 492 I HN 0.196 nan 8.210 nan 0.000 0.552 493 K N 5.420 125.781 120.400 -0.065 0.000 2.326 493 K HA 0.233 4.553 4.320 -0.000 0.000 0.275 493 K C -0.071 176.296 176.600 -0.388 0.000 1.018 493 K CA -0.517 55.602 56.287 -0.281 0.000 0.962 493 K CB 0.972 33.226 32.500 -0.411 0.000 0.953 493 K HN 0.418 nan 8.250 nan 0.000 0.475 494 Q N 2.306 121.814 119.800 -0.487 0.000 2.290 494 Q HA 0.367 4.707 4.340 -0.000 0.000 0.259 494 Q C -0.804 174.859 176.000 -0.563 0.000 0.941 494 Q CA -0.258 55.332 55.803 -0.355 0.000 0.912 494 Q CB 0.811 29.427 28.738 -0.203 0.000 1.244 494 Q HN 0.346 nan 8.270 nan 0.000 0.441 495 F N 0.562 120.433 119.950 -0.132 0.000 2.507 495 F HA 0.577 5.104 4.527 -0.000 0.000 0.325 495 F C 0.458 176.171 175.800 -0.146 0.000 1.116 495 F CA -1.075 56.833 58.000 -0.154 0.000 0.930 495 F CB 1.532 40.393 39.000 -0.231 0.000 1.146 495 F HN 0.477 nan 8.300 nan 0.000 0.447 496 A N 2.645 125.493 122.820 0.047 0.000 2.371 496 A HA 0.289 4.609 4.320 -0.000 0.000 0.257 496 A C -0.038 177.528 177.584 -0.029 0.000 1.089 496 A CA -0.656 51.379 52.037 -0.003 0.000 0.794 496 A CB 0.047 19.045 19.000 -0.004 0.000 1.029 496 A HN 0.894 nan 8.150 nan 0.000 0.488 497 N N 0.705 119.373 118.700 -0.055 0.000 2.400 497 N HA 0.145 4.885 4.740 -0.000 0.000 0.267 497 N C 0.779 176.248 175.510 -0.069 0.000 1.208 497 N CA -0.097 52.902 53.050 -0.085 0.000 0.951 497 N CB 0.427 38.866 38.487 -0.080 0.000 1.227 497 N HN 0.670 nan 8.380 nan 0.000 0.488 498 R N 2.015 122.468 120.500 -0.077 0.000 2.449 498 R HA 0.163 4.503 4.340 -0.000 0.000 0.262 498 R C -0.019 176.237 176.300 -0.072 0.000 1.006 498 R CA -0.087 55.983 56.100 -0.049 0.000 1.104 498 R CB 0.266 30.559 30.300 -0.013 0.000 1.206 498 R HN 0.528 nan 8.270 nan 0.000 0.538 499 Q N 0.360 120.102 119.800 -0.096 0.000 2.889 499 Q HA 0.175 4.515 4.340 -0.000 0.000 0.262 499 Q C -2.948 172.984 176.000 -0.113 0.000 0.966 499 Q CA -1.647 54.092 55.803 -0.107 0.000 0.858 499 Q CB 1.920 30.574 28.738 -0.140 0.000 1.845 499 Q HN 0.101 nan 8.270 nan 0.000 0.464 500 P HA 0.106 nan 4.420 nan 0.000 0.275 500 P C -0.364 176.885 177.300 -0.085 0.000 1.227 500 P CA 0.367 63.418 63.100 -0.081 0.000 0.781 500 P CB 1.261 32.917 31.700 -0.073 0.000 0.906 501 A N 3.501 126.286 122.820 -0.058 0.000 1.902 501 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 501 A C 0.675 178.303 177.584 0.075 0.000 1.181 501 A CA 1.329 53.340 52.037 -0.044 0.000 0.623 501 A CB -0.640 18.331 19.000 -0.049 0.000 0.818 501 A HN 0.587 nan 8.150 nan 0.000 0.443 502 F N -1.481 118.417 119.950 -0.087 0.000 2.578 502 F HA 0.564 5.091 4.527 -0.000 0.000 0.311 502 F C -1.318 174.458 175.800 -0.039 0.000 1.094 502 F CA -1.480 56.487 58.000 -0.055 0.000 0.923 502 F CB 2.109 41.084 39.000 -0.041 0.000 1.230 502 F HN -0.202 nan 8.300 nan 0.000 0.450 503 V N 4.549 123.976 119.914 -0.812 0.000 2.398 503 V HA 0.232 4.352 4.120 -0.000 0.000 0.282 503 V C -0.517 175.027 176.094 -0.917 0.000 1.014 503 V CA -0.849 61.060 62.300 -0.653 0.000 0.838 503 V CB 1.044 32.673 31.823 -0.323 0.000 1.018 503 V HN 0.725 nan 8.190 nan 0.000 0.432 504 E N 3.349 123.040 120.200 -0.849 0.000 2.765 504 E HA 0.209 4.559 4.350 -0.000 0.000 0.256 504 E C 0.775 177.234 176.600 -0.234 0.000 0.935 504 E CA 0.963 57.080 56.400 -0.471 0.000 0.954 504 E CB 0.708 30.327 29.700 -0.134 0.000 0.908 504 E HN 0.794 nan 8.360 nan 0.000 0.500 505 G N 0.000 108.737 108.800 -0.105 0.000 5.446 505 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 505 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 505 G CA 0.000 45.072 45.100 -0.046 0.000 0.502 505 G HN 0.000 nan 8.290 nan 0.000 0.925