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 1gl7_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 RXXXXXXXXX XXXXXXXXER VRERVVMPAE IANLPDLTAY DATA SEQUENCE VGFAGNRPIA KVPLEIKQFA NRQPAFVEGT 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 0.000 174.960 174.900 0.100 0.000 0.946 77 G CA 0.000 45.148 45.100 0.079 0.000 0.502 78 E N 0.139 120.433 120.200 0.157 0.000 2.489 78 E HA 0.350 4.700 4.350 -0.000 0.000 0.204 78 E C 0.021 176.775 176.600 0.257 0.000 1.006 78 E CA -0.578 55.916 56.400 0.157 0.000 0.936 78 E CB 0.634 30.417 29.700 0.138 0.000 1.002 78 E HN 0.218 nan 8.360 nan 0.000 0.488 79 F N 1.666 121.708 119.950 0.153 0.000 2.445 79 F HA 0.444 4.971 4.527 -0.000 0.000 0.359 79 F C 1.411 177.303 175.800 0.154 0.000 1.101 79 F CA -0.906 57.213 58.000 0.198 0.000 1.177 79 F CB 0.835 40.039 39.000 0.339 0.000 1.110 79 F HN 0.034 nan 8.300 nan 0.000 0.522 80 G N 4.901 113.586 108.800 -0.192 0.000 2.469 80 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.219 80 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.219 80 G C 0.978 175.478 174.900 -0.668 0.000 1.150 80 G CA 0.573 45.476 45.100 -0.328 0.000 0.763 80 G HN 0.994 nan 8.290 nan 0.000 0.561 81 G N -0.095 107.801 108.800 -1.507 0.000 2.486 81 G HA2 0.479 4.439 3.960 -0.000 0.000 0.272 81 G HA3 0.479 4.439 3.960 -0.000 0.000 0.272 81 G C 0.322 174.817 174.900 -0.675 0.000 1.426 81 G CA 0.157 44.646 45.100 -1.018 0.000 1.058 81 G HN 0.707 nan 8.290 nan 0.000 0.531 82 A N 0.177 122.917 122.820 -0.133 0.000 2.440 82 A HA 0.557 4.877 4.320 -0.000 0.000 0.251 82 A C -1.961 175.827 177.584 0.341 0.000 1.089 82 A CA -0.803 51.285 52.037 0.084 0.000 0.779 82 A CB -0.093 18.982 19.000 0.126 0.000 1.022 82 A HN 0.419 nan 8.150 nan 0.000 0.492 83 P HA 0.284 nan 4.420 nan 0.000 0.267 83 P C -0.674 176.813 177.300 0.310 0.000 1.201 83 P CA 0.494 63.750 63.100 0.260 0.000 0.775 83 P CB 0.199 31.942 31.700 0.072 0.000 0.854 84 F N -0.649 119.408 119.950 0.179 0.000 2.620 84 F HA 0.625 5.152 4.527 -0.000 0.000 0.320 84 F C 1.096 176.936 175.800 0.067 0.000 1.069 84 F CA -1.302 56.761 58.000 0.104 0.000 0.953 84 F CB 1.327 40.368 39.000 0.067 0.000 1.322 84 F HN 0.112 nan 8.300 nan 0.000 0.479 85 K N -0.012 120.488 120.400 0.167 0.000 2.314 85 K HA 0.239 4.559 4.320 -0.000 0.000 0.198 85 K C -0.035 176.640 176.600 0.125 0.000 1.045 85 K CA 0.426 56.756 56.287 0.072 0.000 0.988 85 K CB 0.360 32.904 32.500 0.072 0.000 0.783 85 K HN 0.755 nan 8.250 nan 0.000 0.484 86 R N -0.055 120.637 120.500 0.321 0.000 2.633 86 R HA 0.084 4.424 4.340 -0.000 0.000 0.255 86 R C -2.024 174.494 176.300 0.363 0.000 1.106 86 R CA -0.638 55.642 56.100 0.301 0.000 0.959 86 R CB 0.632 31.018 30.300 0.144 0.000 1.259 86 R HN -0.021 nan 8.270 nan 0.000 0.453 87 F N 5.561 125.642 119.950 0.218 0.000 2.410 87 F HA 0.337 4.864 4.527 -0.000 0.000 0.348 87 F C 0.000 175.772 175.800 -0.048 0.000 1.106 87 F CA -0.326 57.679 58.000 0.009 0.000 1.163 87 F CB 0.900 39.956 39.000 0.094 0.000 1.129 87 F HN 0.542 nan 8.300 nan 0.000 0.516 88 L N 4.091 124.968 121.223 -0.577 0.000 2.379 88 L HA 0.325 4.665 4.340 -0.000 0.000 0.190 88 L C -0.122 176.536 176.870 -0.354 0.000 1.111 88 L CA 0.026 54.666 54.840 -0.334 0.000 0.820 88 L CB -0.040 41.833 42.059 -0.311 0.000 1.046 88 L HN 0.608 nan 8.230 nan 0.000 0.485 89 R N -1.468 118.583 120.500 -0.748 0.000 2.690 89 R HA 0.689 5.028 4.340 -0.000 0.000 0.269 89 R C -0.587 175.494 176.300 -0.363 0.000 1.037 89 R CA -0.265 55.638 56.100 -0.327 0.000 0.877 89 R CB 0.812 31.039 30.300 -0.123 0.000 1.255 89 R HN 0.171 nan 8.270 nan 0.000 0.467 90 G N -0.009 108.823 108.800 0.053 0.000 2.396 90 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.254 90 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.254 90 G C -1.056 174.023 174.900 0.299 0.000 1.248 90 G CA -0.543 44.621 45.100 0.106 0.000 1.033 90 G HN 0.708 nan 8.290 nan 0.000 0.502 91 T N 1.732 116.403 114.554 0.196 0.000 2.870 91 T HA 0.517 4.867 4.350 -0.000 0.000 0.300 91 T C 0.607 175.475 174.700 0.280 0.000 0.989 91 T CA 0.438 62.643 62.100 0.174 0.000 1.139 91 T CB 0.234 69.141 68.868 0.065 0.000 0.920 91 T HN 0.698 nan 8.240 nan 0.000 0.537 92 R N 2.862 123.459 120.500 0.163 0.000 2.437 92 R HA 0.710 5.049 4.340 -0.000 0.000 0.310 92 R C -0.650 175.686 176.300 0.060 0.000 0.955 92 R CA -0.808 55.334 56.100 0.070 0.000 0.851 92 R CB 1.456 31.584 30.300 -0.286 0.000 1.161 92 R HN 0.571 nan 8.270 nan 0.000 0.446 93 I N 2.779 123.412 120.570 0.104 0.000 2.577 93 I HA 0.565 4.735 4.170 -0.000 0.000 0.305 93 I C -0.877 175.310 176.117 0.117 0.000 0.986 93 I CA -1.111 60.264 61.300 0.126 0.000 1.189 93 I CB 1.819 39.933 38.000 0.191 0.000 1.355 93 I HN 0.512 nan 8.210 nan 0.000 0.476 94 V N 4.905 124.880 119.914 0.102 0.000 3.182 94 V HA 0.493 4.613 4.120 -0.000 0.000 0.308 94 V C -0.413 175.727 176.094 0.076 0.000 1.240 94 V CA -0.318 62.031 62.300 0.081 0.000 1.063 94 V CB 2.701 34.553 31.823 0.048 0.000 1.076 94 V HN 0.907 nan 8.190 nan 0.000 0.446 95 S N 1.336 117.071 115.700 0.059 0.000 2.585 95 S HA 0.374 4.844 4.470 -0.000 0.000 0.273 95 S C 1.286 175.904 174.600 0.030 0.000 1.339 95 S CA 0.257 58.483 58.200 0.043 0.000 1.028 95 S CB 1.114 64.335 63.200 0.035 0.000 0.906 95 S HN 1.575 nan 8.310 nan 0.000 0.528 96 G N 2.049 110.857 108.800 0.014 0.000 2.586 96 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.218 96 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.218 96 G C 1.420 176.335 174.900 0.026 0.000 1.216 96 G CA 0.825 45.931 45.100 0.009 0.000 0.786 96 G HN 1.093 nan 8.290 nan 0.000 0.583 97 G N 0.831 109.645 108.800 0.023 0.000 2.476 97 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.218 97 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.218 97 G C 1.795 176.714 174.900 0.033 0.000 1.164 97 G CA 1.708 46.824 45.100 0.027 0.000 0.768 97 G HN 0.555 nan 8.290 nan 0.000 0.560 98 K N 0.112 120.530 120.400 0.031 0.000 2.044 98 K HA -0.102 4.217 4.320 -0.000 0.000 0.210 98 K C 2.325 178.951 176.600 0.043 0.000 1.049 98 K CA 1.328 57.634 56.287 0.032 0.000 0.927 98 K CB -0.762 31.755 32.500 0.029 0.000 0.713 98 K HN 0.268 nan 8.250 nan 0.000 0.443 99 L N 1.342 122.597 121.223 0.053 0.000 1.994 99 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 99 L C 1.794 178.722 176.870 0.096 0.000 1.071 99 L CA 1.945 56.832 54.840 0.079 0.000 0.745 99 L CB -0.681 41.427 42.059 0.081 0.000 0.892 99 L HN 0.168 nan 8.230 nan 0.000 0.431 100 K N -0.790 119.662 120.400 0.086 0.000 2.144 100 K HA -0.251 4.069 4.320 -0.000 0.000 0.209 100 K C 2.204 178.843 176.600 0.066 0.000 1.047 100 K CA 1.885 58.224 56.287 0.087 0.000 0.927 100 K CB -0.230 32.309 32.500 0.064 0.000 0.716 100 K HN 0.415 nan 8.250 nan 0.000 0.454 101 R N 0.262 120.792 120.500 0.051 0.000 2.055 101 R HA 0.030 4.370 4.340 -0.000 0.000 0.228 101 R C 2.497 178.818 176.300 0.036 0.000 1.143 101 R CA 1.314 57.436 56.100 0.037 0.000 0.945 101 R CB -0.255 30.061 30.300 0.028 0.000 0.841 101 R HN 0.161 nan 8.270 nan 0.000 0.429 102 M N 0.413 120.038 119.600 0.042 0.000 2.089 102 M HA -0.201 4.279 4.480 -0.000 0.000 0.257 102 M C 2.472 178.794 176.300 0.037 0.000 1.071 102 M CA 2.452 57.775 55.300 0.038 0.000 1.096 102 M CB -0.771 31.858 32.600 0.047 0.000 1.330 102 M HN 0.317 nan 8.290 nan 0.000 0.403 103 T N -1.632 112.959 114.554 0.061 0.000 2.962 103 T HA -0.101 4.249 4.350 -0.000 0.000 0.270 103 T C 1.012 175.709 174.700 -0.004 0.000 1.088 103 T CA 0.227 62.347 62.100 0.033 0.000 1.127 103 T CB -0.397 68.527 68.868 0.093 0.000 0.883 103 T HN 0.352 nan 8.240 nan 0.000 0.493 104 R N 1.691 122.201 120.500 0.016 0.000 2.538 104 R HA 0.138 4.478 4.340 -0.000 0.000 0.282 104 R C -0.335 175.961 176.300 -0.007 0.000 1.009 104 R CA 0.398 56.501 56.100 0.006 0.000 1.063 104 R CB 0.259 30.569 30.300 0.016 0.000 0.945 104 R HN 0.521 nan 8.270 nan 0.000 0.414 105 E N 2.552 122.743 120.200 -0.015 0.000 2.355 105 E HA 0.145 4.495 4.350 -0.000 0.000 0.261 105 E C -0.006 176.586 176.600 -0.012 0.000 0.943 105 E CA -1.024 55.365 56.400 -0.018 0.000 0.806 105 E CB 1.483 31.164 29.700 -0.031 0.000 1.286 105 E HN 0.360 nan 8.360 nan 0.000 0.424 106 K N 0.911 121.304 120.400 -0.012 0.000 1.969 106 K HA -0.026 4.294 4.320 -0.000 0.000 0.216 106 K C 0.742 177.337 176.600 -0.008 0.000 1.048 106 K CA 1.491 57.773 56.287 -0.009 0.000 0.948 106 K CB -0.604 31.890 32.500 -0.009 0.000 0.726 106 K HN 0.546 nan 8.250 nan 0.000 0.442 107 A N 1.157 123.970 122.820 -0.010 0.000 2.407 107 A HA 0.012 4.332 4.320 -0.000 0.000 0.257 107 A C -0.452 177.128 177.584 -0.007 0.000 1.131 107 A CA 0.235 52.267 52.037 -0.008 0.000 0.803 107 A CB -0.104 18.890 19.000 -0.009 0.000 1.083 107 A HN 0.302 nan 8.150 nan 0.000 0.512 108 K N 0.743 121.141 120.400 -0.004 0.000 2.339 108 K HA 0.258 4.578 4.320 -0.000 0.000 0.286 108 K C -0.229 176.372 176.600 0.002 0.000 1.050 108 K CA 0.236 56.521 56.287 -0.004 0.000 0.956 108 K CB 0.604 33.101 32.500 -0.005 0.000 0.990 108 K HN 0.689 nan 8.250 nan 0.000 0.475 109 Q N 0.660 120.460 119.800 -0.001 0.000 2.418 109 Q HA 0.513 4.853 4.340 -0.000 0.000 0.276 109 Q C -0.221 175.785 176.000 0.011 0.000 1.081 109 Q CA -1.128 54.680 55.803 0.008 0.000 0.864 109 Q CB 1.820 30.551 28.738 -0.011 0.000 1.384 109 Q HN 0.461 nan 8.270 nan 0.000 0.467 110 V N -2.504 117.430 119.914 0.032 0.000 3.267 110 V HA 0.847 4.967 4.120 -0.000 0.000 0.317 110 V C -0.302 175.819 176.094 0.045 0.000 1.131 110 V CA -0.705 61.604 62.300 0.014 0.000 1.031 110 V CB 1.598 33.423 31.823 0.003 0.000 1.159 110 V HN 0.947 nan 8.190 nan 0.000 0.454 111 T N -1.236 113.350 114.554 0.052 0.000 2.861 111 T HA 0.744 5.093 4.350 -0.000 0.000 0.287 111 T C -0.840 173.948 174.700 0.146 0.000 1.003 111 T CA -0.623 61.545 62.100 0.113 0.000 0.977 111 T CB 1.378 70.304 68.868 0.097 0.000 0.996 111 T HN 0.857 nan 8.240 nan 0.000 0.448 112 V N 2.685 122.734 119.914 0.225 0.000 2.328 112 V HA 0.657 4.777 4.120 -0.000 0.000 0.278 112 V C 1.031 177.206 176.094 0.133 0.000 1.021 112 V CA -0.262 62.162 62.300 0.206 0.000 0.838 112 V CB 0.083 32.093 31.823 0.313 0.000 0.999 112 V HN 1.612 nan 8.190 nan 0.000 0.447 113 A N 4.241 127.118 122.820 0.095 0.000 2.640 113 A HA -0.016 4.304 4.320 -0.000 0.000 0.300 113 A C 1.860 179.485 177.584 0.067 0.000 1.499 113 A CA 1.443 53.519 52.037 0.064 0.000 0.759 113 A CB -1.497 17.517 19.000 0.023 0.000 1.048 113 A HN 2.573 nan 8.150 nan 0.000 0.450 114 G N -3.609 105.246 108.800 0.091 0.000 2.284 114 G HA2 -0.096 3.863 3.960 -0.000 0.000 0.247 114 G HA3 -0.096 3.863 3.960 -0.000 0.000 0.247 114 G C 0.445 175.407 174.900 0.104 0.000 1.012 114 G CA 0.417 45.568 45.100 0.085 0.000 0.618 114 G HN 1.856 nan 8.290 nan 0.000 0.521 115 V N 3.944 123.942 119.914 0.140 0.000 2.461 115 V HA 0.455 4.575 4.120 -0.000 0.000 0.275 115 V C -1.381 174.872 176.094 0.265 0.000 1.047 115 V CA -1.325 61.100 62.300 0.208 0.000 0.955 115 V CB 1.410 33.388 31.823 0.259 0.000 0.988 115 V HN 0.277 nan 8.190 nan 0.000 0.471 116 P HA 0.092 nan 4.420 nan 0.000 0.271 116 P C -0.432 176.861 177.300 -0.010 0.000 1.226 116 P CA -0.219 62.931 63.100 0.085 0.000 0.765 116 P CB 0.743 32.468 31.700 0.042 0.000 0.835 117 M N 6.174 125.718 119.600 -0.094 0.000 2.162 117 M HA 0.317 4.797 4.480 -0.000 0.000 0.356 117 M C -2.386 173.675 176.300 -0.399 0.000 1.303 117 M CA -2.240 52.771 55.300 -0.481 0.000 1.116 117 M CB 0.775 33.259 32.600 -0.193 0.000 1.632 117 M HN 0.068 nan 8.290 nan 0.000 0.469 118 P HA 0.009 nan 4.420 nan 0.000 0.258 118 P C -0.143 177.035 177.300 -0.204 0.000 1.187 118 P CA 0.253 63.170 63.100 -0.305 0.000 0.767 118 P CB 0.289 31.799 31.700 -0.316 0.000 0.770 119 R N 3.196 123.623 120.500 -0.121 0.000 2.133 119 R HA -0.222 4.118 4.340 -0.000 0.000 0.247 119 R C 1.216 177.458 176.300 -0.097 0.000 1.151 119 R CA 2.366 58.417 56.100 -0.081 0.000 0.971 119 R CB -0.770 29.498 30.300 -0.054 0.000 0.866 119 R HN 0.648 nan 8.270 nan 0.000 0.447 120 D N -0.309 120.030 120.400 -0.101 0.000 2.348 120 D HA -0.059 4.580 4.640 -0.000 0.000 0.216 120 D C 1.290 177.519 176.300 -0.118 0.000 0.970 120 D CA 0.915 54.855 54.000 -0.101 0.000 0.889 120 D CB 0.077 40.829 40.800 -0.080 0.000 0.912 120 D HN 0.191 nan 8.370 nan 0.000 0.524 121 A N 0.118 122.861 122.820 -0.128 0.000 2.238 121 A HA 0.044 4.364 4.320 -0.000 0.000 0.210 121 A C 1.879 179.392 177.584 -0.117 0.000 1.179 121 A CA 0.065 52.037 52.037 -0.108 0.000 0.827 121 A CB -0.265 18.669 19.000 -0.111 0.000 0.856 121 A HN 0.164 nan 8.150 nan 0.000 0.488 122 E N 0.598 120.713 120.200 -0.142 0.000 2.031 122 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 122 E C -0.793 175.575 176.600 -0.387 0.000 0.994 122 E CA 1.337 57.618 56.400 -0.199 0.000 0.800 122 E CB -0.688 28.909 29.700 -0.172 0.000 0.752 122 E HN 0.497 nan 8.360 nan 0.000 0.447 123 P HA -0.027 nan 4.420 nan 0.000 0.242 123 P C 0.414 177.217 177.300 -0.829 0.000 1.197 123 P CA 0.669 63.462 63.100 -0.511 0.000 0.765 123 P CB 0.264 31.768 31.700 -0.327 0.000 0.936 124 R N -0.836 119.289 120.500 -0.625 0.000 2.317 124 R HA 0.110 4.450 4.340 -0.000 0.000 0.208 124 R C 0.254 176.253 176.300 -0.502 0.000 0.914 124 R CA -0.281 55.497 56.100 -0.535 0.000 1.060 124 R CB -1.017 29.165 30.300 -0.196 0.000 1.015 124 R HN 0.370 nan 8.270 nan 0.000 0.498 125 H N -0.998 118.026 119.070 -0.077 0.000 4.560 125 H HA -0.211 4.345 4.556 -0.000 0.000 0.259 125 H C -0.741 174.769 175.328 0.303 0.000 0.556 125 H CA 0.255 56.319 56.048 0.026 0.000 0.698 125 H CB -0.760 28.813 29.762 -0.316 0.000 1.001 125 H HN 0.075 nan 8.280 nan 0.000 0.304 126 L N 2.046 123.628 121.223 0.598 0.000 2.381 126 L HA 0.523 4.863 4.340 -0.000 0.000 0.274 126 L C -1.294 175.711 176.870 0.226 0.000 0.988 126 L CA -0.701 54.389 54.840 0.416 0.000 0.824 126 L CB 1.519 43.775 42.059 0.329 0.000 1.263 126 L HN 0.488 nan 8.230 nan 0.000 0.410 127 L N 6.100 127.320 121.223 -0.005 0.000 2.287 127 L HA 0.638 4.978 4.340 -0.000 0.000 0.287 127 L C -1.022 175.772 176.870 -0.126 0.000 1.022 127 L CA -0.187 54.444 54.840 -0.349 0.000 0.814 127 L CB 1.673 43.436 42.059 -0.492 0.000 1.217 127 L HN 0.425 nan 8.230 nan 0.000 0.420 128 V N 5.120 124.972 119.914 -0.104 0.000 2.334 128 V HA 0.437 4.557 4.120 -0.000 0.000 0.281 128 V C -0.238 175.832 176.094 -0.040 0.000 1.016 128 V CA -0.703 61.581 62.300 -0.027 0.000 0.832 128 V CB 1.307 33.148 31.823 0.030 0.000 0.999 128 V HN 0.828 nan 8.190 nan 0.000 0.439 129 N N 3.409 122.090 118.700 -0.031 0.000 2.399 129 N HA 0.823 5.563 4.740 -0.000 0.000 0.295 129 N C -0.297 175.215 175.510 0.003 0.000 1.048 129 N CA 0.127 53.163 53.050 -0.024 0.000 0.886 129 N CB 2.013 40.480 38.487 -0.033 0.000 1.185 129 N HN 0.892 nan 8.380 nan 0.000 0.487 130 G N 0.363 109.168 108.800 0.008 0.000 2.519 130 G HA2 0.570 4.530 3.960 -0.000 0.000 0.292 130 G HA3 0.570 4.530 3.960 -0.000 0.000 0.292 130 G C -1.294 173.617 174.900 0.018 0.000 1.507 130 G CA -0.292 44.820 45.100 0.019 0.000 0.806 130 G HN 0.749 nan 8.290 nan 0.000 0.523 131 A N 0.078 122.910 122.820 0.020 0.000 2.292 131 A HA 0.749 5.069 4.320 -0.000 0.000 0.265 131 A C 1.103 178.698 177.584 0.019 0.000 1.133 131 A CA 0.697 52.745 52.037 0.018 0.000 0.807 131 A CB 0.271 19.281 19.000 0.017 0.000 1.102 131 A HN 1.843 nan 8.150 nan 0.000 0.502 132 T N -0.764 113.800 114.554 0.018 0.000 2.853 132 T HA 0.432 4.782 4.350 -0.000 0.000 0.298 132 T C 1.208 175.917 174.700 0.014 0.000 0.978 132 T CA 1.313 63.423 62.100 0.017 0.000 1.152 132 T CB -0.383 68.495 68.868 0.016 0.000 0.914 132 T HN 2.374 nan 8.240 nan 0.000 0.539 133 G N 3.397 112.206 108.800 0.014 0.000 2.143 133 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.249 133 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.249 133 G C 0.861 175.770 174.900 0.014 0.000 0.981 133 G CA 0.996 46.103 45.100 0.012 0.000 0.665 133 G HN 1.342 nan 8.290 nan 0.000 0.528 134 T N -2.702 111.862 114.554 0.017 0.000 3.088 134 T HA 0.443 4.793 4.350 -0.000 0.000 0.259 134 T C 2.058 176.770 174.700 0.020 0.000 1.122 134 T CA 1.592 63.703 62.100 0.019 0.000 1.095 134 T CB 0.424 69.306 68.868 0.022 0.000 0.930 134 T HN 2.138 nan 8.240 nan 0.000 0.508 135 G N 1.067 109.880 108.800 0.022 0.000 2.173 135 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.142 135 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.142 135 G C 0.853 175.774 174.900 0.034 0.000 1.019 135 G CA 0.099 45.216 45.100 0.027 0.000 0.699 135 G HN 0.344 nan 8.290 nan 0.000 0.495 136 K N 0.964 121.384 120.400 0.034 0.000 2.034 136 K HA -0.144 4.176 4.320 -0.000 0.000 0.214 136 K C 2.579 179.206 176.600 0.045 0.000 1.051 136 K CA 1.897 58.209 56.287 0.042 0.000 0.931 136 K CB -0.469 32.056 32.500 0.041 0.000 0.715 136 K HN 0.416 nan 8.250 nan 0.000 0.446 137 S N 1.200 116.920 115.700 0.033 0.000 2.378 137 S HA -0.148 4.322 4.470 -0.000 0.000 0.221 137 S C 2.256 176.870 174.600 0.024 0.000 1.037 137 S CA 1.706 59.918 58.200 0.021 0.000 1.069 137 S CB -0.640 62.565 63.200 0.010 0.000 1.006 137 S HN 0.065 nan 8.310 nan 0.000 0.423 138 V N 2.294 122.232 119.914 0.040 0.000 2.363 138 V HA -0.242 3.878 4.120 -0.000 0.000 0.254 138 V C 2.137 178.273 176.094 0.070 0.000 1.074 138 V CA 1.947 64.287 62.300 0.067 0.000 1.069 138 V CB -0.795 31.070 31.823 0.070 0.000 0.659 138 V HN 0.396 nan 8.190 nan 0.000 0.455 139 L N -1.203 120.055 121.223 0.059 0.000 2.007 139 L HA -0.105 4.235 4.340 -0.000 0.000 0.205 139 L C 2.351 179.255 176.870 0.056 0.000 1.073 139 L CA 1.463 56.344 54.840 0.068 0.000 0.744 139 L CB -0.138 41.964 42.059 0.072 0.000 0.898 139 L HN 0.213 nan 8.230 nan 0.000 0.435 140 L N 0.150 121.404 121.223 0.052 0.000 2.127 140 L HA -0.222 4.118 4.340 -0.000 0.000 0.211 140 L C 2.708 179.475 176.870 -0.171 0.000 1.089 140 L CA 1.587 56.441 54.840 0.024 0.000 0.757 140 L CB -0.782 41.317 42.059 0.066 0.000 0.899 140 L HN 0.244 nan 8.230 nan 0.000 0.434 141 R N -0.167 120.262 120.500 -0.118 0.000 2.070 141 R HA -0.232 4.108 4.340 -0.000 0.000 0.233 141 R C 2.325 178.517 176.300 -0.179 0.000 1.137 141 R CA 1.902 57.898 56.100 -0.173 0.000 0.945 141 R CB -0.229 30.011 30.300 -0.101 0.000 0.845 141 R HN 0.540 nan 8.270 nan 0.000 0.430 142 E N 0.576 120.781 120.200 0.007 0.000 2.038 142 E HA -0.255 4.095 4.350 -0.000 0.000 0.195 142 E C 2.130 178.749 176.600 0.032 0.000 1.000 142 E CA 1.466 57.952 56.400 0.143 0.000 0.803 142 E CB -0.352 29.451 29.700 0.170 0.000 0.750 142 E HN 0.413 nan 8.360 nan 0.000 0.448 143 L N 0.480 121.685 121.223 -0.030 0.000 1.997 143 L HA -0.275 4.065 4.340 -0.000 0.000 0.216 143 L C 2.686 179.392 176.870 -0.273 0.000 1.074 143 L CA 1.806 56.595 54.840 -0.085 0.000 0.763 143 L CB -0.619 41.461 42.059 0.034 0.000 0.890 143 L HN 0.398 nan 8.230 nan 0.000 0.434 144 A N -0.905 121.649 122.820 -0.443 0.000 1.873 144 A HA -0.345 3.975 4.320 -0.000 0.000 0.218 144 A C 2.120 179.341 177.584 -0.606 0.000 1.193 144 A CA 2.093 53.706 52.037 -0.705 0.000 0.629 144 A CB -1.252 17.141 19.000 -1.011 0.000 0.826 144 A HN 0.626 nan 8.150 nan 0.000 0.447 145 Y N 1.961 121.819 120.300 -0.736 0.000 2.053 145 Y HA -0.289 4.261 4.550 -0.000 0.000 0.277 145 Y C 2.929 178.705 175.900 -0.207 0.000 1.159 145 Y CA 2.734 60.534 58.100 -0.500 0.000 1.125 145 Y CB -1.193 37.215 38.460 -0.087 0.000 0.969 145 Y HN 0.469 nan 8.280 nan 0.000 0.492 146 T N -2.439 111.898 114.554 -0.361 0.000 2.881 146 T HA -0.085 4.265 4.350 -0.000 0.000 0.270 146 T C 2.207 176.732 174.700 -0.291 0.000 1.068 146 T CA 1.293 63.159 62.100 -0.389 0.000 1.131 146 T CB -1.310 67.450 68.868 -0.179 0.000 0.871 146 T HN 0.421 nan 8.240 nan 0.000 0.479 147 G N 1.449 110.063 108.800 -0.309 0.000 2.402 147 G HA2 0.031 3.990 3.960 -0.000 0.000 0.216 147 G HA3 0.031 3.990 3.960 -0.000 0.000 0.216 147 G C 1.521 176.316 174.900 -0.175 0.000 1.162 147 G CA 0.593 45.527 45.100 -0.277 0.000 0.777 147 G HN 0.526 nan 8.290 nan 0.000 0.539 148 L N 0.116 121.213 121.223 -0.210 0.000 2.056 148 L HA 0.040 4.380 4.340 -0.000 0.000 0.207 148 L C 2.788 179.612 176.870 -0.076 0.000 1.078 148 L CA 0.454 55.233 54.840 -0.102 0.000 0.749 148 L CB -0.388 41.623 42.059 -0.080 0.000 0.901 148 L HN 0.157 nan 8.230 nan 0.000 0.433 149 L N -0.433 120.687 121.223 -0.171 0.000 2.261 149 L HA -0.202 4.138 4.340 -0.000 0.000 0.216 149 L C 2.597 179.416 176.870 -0.084 0.000 1.114 149 L CA 1.058 55.806 54.840 -0.153 0.000 0.777 149 L CB -0.482 41.389 42.059 -0.313 0.000 0.910 149 L HN 0.267 nan 8.230 nan 0.000 0.440 150 R N 0.279 120.735 120.500 -0.074 0.000 2.297 150 R HA 0.052 4.392 4.340 -0.000 0.000 0.197 150 R C 1.073 177.378 176.300 0.009 0.000 0.943 150 R CA 0.647 56.733 56.100 -0.023 0.000 1.038 150 R CB 0.268 30.567 30.300 -0.002 0.000 0.957 150 R HN 0.334 nan 8.270 nan 0.000 0.484 151 G N 1.530 110.337 108.800 0.011 0.000 2.149 151 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.235 151 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.235 151 G C -0.843 174.093 174.900 0.061 0.000 1.018 151 G CA 0.179 45.300 45.100 0.035 0.000 0.728 151 G HN 0.380 nan 8.290 nan 0.000 0.508 152 D N -0.147 120.305 120.400 0.087 0.000 2.283 152 D HA 0.480 5.119 4.640 -0.000 0.000 0.248 152 D C 1.078 177.478 176.300 0.167 0.000 1.072 152 D CA -0.142 53.959 54.000 0.168 0.000 0.929 152 D CB 0.923 41.925 40.800 0.337 0.000 1.182 152 D HN 0.363 nan 8.370 nan 0.000 0.433 153 R N 0.457 121.064 120.500 0.179 0.000 2.549 153 R HA 0.741 5.081 4.340 -0.000 0.000 0.267 153 R C 0.227 176.695 176.300 0.280 0.000 1.045 153 R CA -0.563 55.633 56.100 0.160 0.000 1.115 153 R CB 1.133 31.445 30.300 0.019 0.000 1.121 153 R HN 0.505 nan 8.270 nan 0.000 0.543 154 M N -1.707 118.071 119.600 0.298 0.000 2.790 154 M HA 0.402 4.882 4.480 -0.000 0.000 0.272 154 M C -1.646 174.852 176.300 0.330 0.000 1.168 154 M CA -1.141 54.375 55.300 0.361 0.000 0.829 154 M CB 1.635 34.459 32.600 0.375 0.000 1.675 154 M HN 0.215 nan 8.290 nan 0.000 0.505 155 V N 1.976 122.068 119.914 0.296 0.000 2.656 155 V HA 0.680 4.800 4.120 -0.000 0.000 0.307 155 V C -0.819 175.363 176.094 0.147 0.000 1.051 155 V CA -0.505 61.883 62.300 0.146 0.000 0.893 155 V CB 2.193 34.127 31.823 0.186 0.000 0.999 155 V HN 0.750 nan 8.190 nan 0.000 0.426 156 I N 3.936 124.499 120.570 -0.011 0.000 2.468 156 I HA 0.312 4.482 4.170 -0.000 0.000 0.284 156 I C -0.364 175.852 176.117 0.164 0.000 1.038 156 I CA -0.835 60.517 61.300 0.088 0.000 1.083 156 I CB 2.136 40.072 38.000 -0.107 0.000 1.223 156 I HN 0.280 nan 8.210 nan 0.000 0.443 157 V N 4.374 124.442 119.914 0.257 0.000 2.359 157 V HA -0.008 4.112 4.120 -0.000 0.000 0.248 157 V C 0.020 176.357 176.094 0.405 0.000 1.091 157 V CA 0.326 62.842 62.300 0.360 0.000 1.103 157 V CB -0.177 31.838 31.823 0.320 0.000 1.176 157 V HN 0.634 nan 8.190 nan 0.000 0.488 158 D N 7.185 127.813 120.400 0.380 0.000 2.443 158 D HA 0.366 5.006 4.640 -0.000 0.000 0.221 158 D C -2.667 173.510 176.300 -0.204 0.000 1.097 158 D CA -2.255 51.839 54.000 0.156 0.000 0.865 158 D CB 1.804 42.724 40.800 0.199 0.000 1.034 158 D HN 0.245 nan 8.370 nan 0.000 0.511 159 P HA 0.162 nan 4.420 nan 0.000 0.271 159 P C -0.329 176.549 177.300 -0.704 0.000 1.216 159 P CA -0.245 62.099 63.100 -1.260 0.000 0.771 159 P CB 0.419 31.684 31.700 -0.724 0.000 0.864 160 N N 2.348 120.582 118.700 -0.778 0.000 2.716 160 N HA -0.205 4.535 4.740 -0.000 0.000 0.250 160 N C 0.892 176.257 175.510 -0.242 0.000 1.033 160 N CA 1.501 54.293 53.050 -0.430 0.000 0.727 160 N CB -1.807 36.479 38.487 -0.335 0.000 0.950 160 N HN 0.915 nan 8.380 nan 0.000 0.541 161 G N 0.032 108.722 108.800 -0.183 0.000 2.380 161 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.298 161 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.298 161 G C 0.844 175.700 174.900 -0.073 0.000 0.989 161 G CA 1.439 46.498 45.100 -0.069 0.000 0.836 161 G HN 0.657 nan 8.290 nan 0.000 0.511 162 D N -0.185 120.159 120.400 -0.092 0.000 2.120 162 D HA -0.176 4.464 4.640 -0.000 0.000 0.191 162 D C 2.596 178.863 176.300 -0.056 0.000 0.994 162 D CA 1.813 55.762 54.000 -0.086 0.000 0.838 162 D CB -0.145 40.601 40.800 -0.090 0.000 0.976 162 D HN 0.245 nan 8.370 nan 0.000 0.447 163 M N -0.305 119.321 119.600 0.045 0.000 2.144 163 M HA -0.128 4.352 4.480 -0.000 0.000 0.260 163 M C 2.303 178.747 176.300 0.241 0.000 1.067 163 M CA 0.854 56.279 55.300 0.208 0.000 1.095 163 M CB -1.139 31.637 32.600 0.292 0.000 1.365 163 M HN 0.279 nan 8.290 nan 0.000 0.406 164 L N 0.889 122.165 121.223 0.088 0.000 1.970 164 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 164 L C 2.646 179.338 176.870 -0.296 0.000 1.071 164 L CA 2.601 57.206 54.840 -0.391 0.000 0.751 164 L CB -1.198 40.593 42.059 -0.447 0.000 0.889 164 L HN 0.463 nan 8.230 nan 0.000 0.432 165 S N -1.480 114.097 115.700 -0.206 0.000 2.462 165 S HA -0.174 4.295 4.470 -0.000 0.000 0.243 165 S C 1.764 176.222 174.600 -0.236 0.000 1.003 165 S CA 1.164 59.252 58.200 -0.187 0.000 0.970 165 S CB -0.484 62.633 63.200 -0.139 0.000 0.762 165 S HN 0.535 nan 8.310 nan 0.000 0.510 166 K N -0.148 120.040 120.400 -0.354 0.000 2.306 166 K HA 0.299 4.619 4.320 -0.000 0.000 0.200 166 K C 0.871 177.055 176.600 -0.693 0.000 1.083 166 K CA 0.628 56.532 56.287 -0.637 0.000 0.959 166 K CB -0.262 31.571 32.500 -1.111 0.000 0.994 166 K HN 0.563 nan 8.250 nan 0.000 0.492 167 F N 0.871 120.811 119.950 -0.016 0.000 2.728 167 F HA 0.304 4.831 4.527 -0.000 0.000 0.314 167 F C 1.257 177.104 175.800 0.078 0.000 1.094 167 F CA -0.842 57.200 58.000 0.070 0.000 1.217 167 F CB -0.279 38.797 39.000 0.126 0.000 1.056 167 F HN -0.150 nan 8.300 nan 0.000 0.577 168 G N 2.014 110.809 108.800 -0.008 0.000 2.272 168 G HA2 0.286 4.246 3.960 -0.000 0.000 0.247 168 G HA3 0.286 4.246 3.960 -0.000 0.000 0.247 168 G C 0.152 175.032 174.900 -0.033 0.000 1.272 168 G CA -0.214 44.757 45.100 -0.215 0.000 0.921 168 G HN 0.186 nan 8.290 nan 0.000 0.495 169 R N 1.204 121.737 120.500 0.054 0.000 2.875 169 R HA 0.270 4.610 4.340 -0.000 0.000 0.251 169 R C 0.595 176.923 176.300 0.047 0.000 1.123 169 R CA -0.982 55.160 56.100 0.071 0.000 1.064 169 R CB 1.215 31.592 30.300 0.128 0.000 1.205 169 R HN 0.501 nan 8.270 nan 0.000 0.503 170 D N 1.343 121.773 120.400 0.050 0.000 2.144 170 D HA -0.149 4.491 4.640 -0.000 0.000 0.200 170 D C 1.107 177.448 176.300 0.069 0.000 0.978 170 D CA 1.525 55.550 54.000 0.042 0.000 0.833 170 D CB 0.226 41.049 40.800 0.038 0.000 0.961 170 D HN 0.453 nan 8.370 nan 0.000 0.470 171 K N 0.821 121.282 120.400 0.101 0.000 2.487 171 K HA 0.026 4.346 4.320 -0.000 0.000 0.192 171 K C 0.073 176.789 176.600 0.192 0.000 1.027 171 K CA 0.170 56.538 56.287 0.136 0.000 1.054 171 K CB 0.294 32.876 32.500 0.136 0.000 0.824 171 K HN -0.089 nan 8.250 nan 0.000 0.510 172 D N 1.615 122.130 120.400 0.193 0.000 2.313 172 D HA 0.194 4.834 4.640 -0.000 0.000 0.247 172 D C 0.393 176.799 176.300 0.177 0.000 1.094 172 D CA -0.357 53.806 54.000 0.272 0.000 0.925 172 D CB 0.998 42.032 40.800 0.390 0.000 1.188 172 D HN -0.057 nan 8.370 nan 0.000 0.430 173 I N 0.897 121.560 120.570 0.155 0.000 2.677 173 I HA 0.432 4.602 4.170 -0.000 0.000 0.305 173 I C 0.456 176.524 176.117 -0.082 0.000 0.988 173 I CA -0.554 60.713 61.300 -0.055 0.000 1.260 173 I CB 0.737 38.548 38.000 -0.316 0.000 1.410 173 I HN 0.201 nan 8.210 nan 0.000 0.523 174 I N 4.436 124.880 120.570 -0.209 0.000 2.569 174 I HA 0.366 4.536 4.170 -0.000 0.000 0.290 174 I C -0.993 174.927 176.117 -0.328 0.000 1.088 174 I CA -0.444 60.748 61.300 -0.179 0.000 1.047 174 I CB 2.752 40.696 38.000 -0.094 0.000 1.237 174 I HN 0.251 nan 8.210 nan 0.000 0.421 175 L N 6.375 127.375 121.223 -0.372 0.000 2.345 175 L HA 0.539 4.879 4.340 -0.000 0.000 0.274 175 L C -0.728 176.029 176.870 -0.189 0.000 0.999 175 L CA -0.265 54.235 54.840 -0.567 0.000 0.849 175 L CB 1.160 42.416 42.059 -1.338 0.000 1.220 175 L HN 0.522 nan 8.230 nan 0.000 0.422 176 N N 5.038 123.760 118.700 0.036 0.000 2.752 176 N HA 0.181 4.921 4.740 -0.000 0.000 0.268 176 N C -2.338 173.320 175.510 0.248 0.000 1.190 176 N CA -1.014 52.197 53.050 0.268 0.000 0.897 176 N CB 2.619 41.284 38.487 0.297 0.000 1.515 176 N HN 0.107 nan 8.380 nan 0.000 0.567 177 P HA -0.101 nan 4.420 nan 0.000 0.221 177 P C 0.210 177.382 177.300 -0.213 0.000 1.145 177 P CA 1.244 64.341 63.100 -0.006 0.000 0.795 177 P CB 0.090 31.727 31.700 -0.105 0.000 0.775 178 Y N -0.985 119.451 120.300 0.228 0.000 2.607 178 Y HA 0.311 4.861 4.550 -0.000 0.000 0.266 178 Y C 0.772 176.869 175.900 0.327 0.000 1.178 178 Y CA -0.771 57.488 58.100 0.266 0.000 1.226 178 Y CB 0.039 38.681 38.460 0.303 0.000 1.144 178 Y HN -0.062 nan 8.280 nan 0.000 0.528 179 D N 0.461 121.055 120.400 0.323 0.000 2.278 179 D HA 0.063 4.702 4.640 -0.000 0.000 0.245 179 D C 0.870 177.165 176.300 -0.008 0.000 1.052 179 D CA -0.193 53.886 54.000 0.131 0.000 0.834 179 D CB 1.945 42.890 40.800 0.241 0.000 1.194 179 D HN 0.147 nan 8.370 nan 0.000 0.481 180 Q N 3.119 122.852 119.800 -0.112 0.000 2.197 180 Q HA -0.187 4.153 4.340 -0.000 0.000 0.207 180 Q C 1.326 177.292 176.000 -0.056 0.000 0.984 180 Q CA 1.762 57.513 55.803 -0.086 0.000 0.869 180 Q CB 0.215 28.879 28.738 -0.122 0.000 0.906 180 Q HN 0.432 nan 8.270 nan 0.000 0.426 181 R N -0.533 119.932 120.500 -0.058 0.000 2.297 181 R HA 0.106 4.446 4.340 -0.000 0.000 0.197 181 R C 0.767 177.040 176.300 -0.045 0.000 0.943 181 R CA 0.467 56.538 56.100 -0.048 0.000 1.038 181 R CB -0.069 30.196 30.300 -0.058 0.000 0.957 181 R HN 0.092 nan 8.270 nan 0.000 0.484 182 T N 1.026 115.561 114.554 -0.032 0.000 2.791 182 T HA -0.000 4.349 4.350 -0.000 0.000 0.323 182 T C 0.349 175.009 174.700 -0.067 0.000 1.082 182 T CA 0.159 62.225 62.100 -0.056 0.000 1.084 182 T CB 0.494 69.359 68.868 -0.005 0.000 0.992 182 T HN -0.084 nan 8.240 nan 0.000 0.547 183 K N 1.195 121.514 120.400 -0.136 0.000 2.177 183 K HA 0.495 4.814 4.320 -0.000 0.000 0.238 183 K C 0.356 176.974 176.600 0.030 0.000 1.015 183 K CA -0.544 55.692 56.287 -0.085 0.000 0.922 183 K CB 1.045 33.382 32.500 -0.271 0.000 1.127 183 K HN 0.755 nan 8.250 nan 0.000 0.469 184 G N 0.449 109.324 108.800 0.126 0.000 2.319 184 G HA2 0.375 4.335 3.960 -0.000 0.000 0.308 184 G HA3 0.375 4.335 3.960 -0.000 0.000 0.308 184 G C -1.533 173.559 174.900 0.321 0.000 1.117 184 G CA -0.360 44.849 45.100 0.181 0.000 0.903 184 G HN 0.532 nan 8.290 nan 0.000 0.436 185 W N 2.408 123.796 121.300 0.146 0.000 3.127 185 W HA 0.658 5.318 4.660 -0.000 0.000 0.330 185 W C -0.651 176.030 176.519 0.270 0.000 1.187 185 W CA -0.852 56.629 57.345 0.226 0.000 1.198 185 W CB 2.362 31.968 29.460 0.244 0.000 1.408 185 W HN 0.670 nan 8.180 nan 0.000 0.529 186 S N 4.260 119.386 115.700 -0.956 0.000 2.546 186 S HA 0.326 4.795 4.470 -0.000 0.000 0.274 186 S C 0.300 173.884 174.600 -1.692 0.000 1.121 186 S CA -0.501 57.131 58.200 -0.946 0.000 0.887 186 S CB 0.446 63.461 63.200 -0.308 0.000 1.094 186 S HN 0.827 nan 8.310 nan 0.000 0.474 187 F N 2.891 122.080 119.950 -1.268 0.000 2.333 187 F HA 0.152 4.679 4.527 -0.000 0.000 0.300 187 F C 1.268 176.793 175.800 -0.458 0.000 1.083 187 F CA 0.773 58.365 58.000 -0.681 0.000 1.395 187 F CB -0.772 38.109 39.000 -0.197 0.000 1.056 187 F HN 0.549 nan 8.300 nan 0.000 0.529 188 F N 1.881 121.042 119.950 -1.316 0.000 2.120 188 F HA -0.267 4.260 4.527 -0.000 0.000 0.300 188 F C 1.952 177.390 175.800 -0.604 0.000 1.095 188 F CA 1.824 59.245 58.000 -0.964 0.000 1.249 188 F CB -0.951 37.651 39.000 -0.662 0.000 0.995 188 F HN 0.021 nan 8.300 nan 0.000 0.480 189 N N 0.217 118.716 118.700 -0.335 0.000 2.586 189 N HA -0.156 4.583 4.740 -0.000 0.000 0.191 189 N C 1.079 176.481 175.510 -0.179 0.000 1.085 189 N CA 1.052 53.969 53.050 -0.221 0.000 0.921 189 N CB -0.372 38.001 38.487 -0.191 0.000 0.954 189 N HN 0.442 nan 8.380 nan 0.000 0.448 190 E N -0.477 119.544 120.200 -0.299 0.000 2.526 190 E HA 0.138 4.488 4.350 -0.000 0.000 0.208 190 E C 0.117 176.444 176.600 -0.455 0.000 0.997 190 E CA -0.202 55.973 56.400 -0.375 0.000 0.961 190 E CB 0.851 30.163 29.700 -0.647 0.000 1.030 190 E HN 0.194 nan 8.360 nan 0.000 0.483 191 I N 1.949 122.234 120.570 -0.476 0.000 2.452 191 I HA 0.112 4.282 4.170 -0.000 0.000 0.287 191 I C 1.379 177.289 176.117 -0.345 0.000 1.079 191 I CA 0.477 61.457 61.300 -0.534 0.000 1.387 191 I CB 0.564 37.992 38.000 -0.953 0.000 1.404 191 I HN -0.038 nan 8.210 nan 0.000 0.522 192 R N 3.600 123.935 120.500 -0.275 0.000 2.412 192 R HA 0.250 4.590 4.340 -0.000 0.000 0.212 192 R C 0.086 176.298 176.300 -0.148 0.000 0.878 192 R CA -0.035 55.966 56.100 -0.164 0.000 1.022 192 R CB 0.707 30.953 30.300 -0.091 0.000 1.265 192 R HN 0.615 nan 8.270 nan 0.000 0.620 193 N N -0.227 118.320 118.700 -0.256 0.000 2.831 193 N HA 0.086 4.826 4.740 -0.000 0.000 0.276 193 N C -0.464 174.935 175.510 -0.185 0.000 1.416 193 N CA -0.457 52.488 53.050 -0.175 0.000 0.799 193 N CB 1.463 39.855 38.487 -0.158 0.000 1.554 193 N HN -0.197 nan 8.380 nan 0.000 0.541 194 D N -0.295 120.131 120.400 0.044 0.000 2.117 194 D HA -0.132 4.508 4.640 -0.000 0.000 0.198 194 D C 1.695 178.116 176.300 0.202 0.000 0.982 194 D CA 1.436 55.574 54.000 0.229 0.000 0.828 194 D CB -0.072 40.881 40.800 0.255 0.000 0.967 194 D HN 0.628 nan 8.370 nan 0.000 0.464 195 Y N -0.204 120.181 120.300 0.142 0.000 2.384 195 Y HA -0.079 4.471 4.550 -0.000 0.000 0.289 195 Y C 1.435 177.394 175.900 0.099 0.000 1.152 195 Y CA 0.746 58.913 58.100 0.110 0.000 1.258 195 Y CB -0.577 37.917 38.460 0.057 0.000 0.979 195 Y HN -0.112 nan 8.280 nan 0.000 0.549 196 D N 0.320 120.387 120.400 -0.555 0.000 2.263 196 D HA -0.179 4.461 4.640 -0.000 0.000 0.208 196 D C 1.347 177.630 176.300 -0.027 0.000 0.971 196 D CA 1.376 55.159 54.000 -0.361 0.000 0.867 196 D CB -0.399 40.143 40.800 -0.429 0.000 0.929 196 D HN 0.581 nan 8.370 nan 0.000 0.492 197 W N 1.117 122.461 121.300 0.074 0.000 2.353 197 W HA -0.187 4.473 4.660 -0.000 0.000 0.319 197 W C 2.775 179.359 176.519 0.110 0.000 1.207 197 W CA 0.574 57.994 57.345 0.125 0.000 1.291 197 W CB -0.513 28.995 29.460 0.080 0.000 1.159 197 W HN -0.048 nan 8.180 nan 0.000 0.478 198 Q N 1.151 121.130 119.800 0.298 0.000 2.079 198 Q HA -0.199 4.141 4.340 -0.000 0.000 0.200 198 Q C 2.193 178.244 176.000 0.085 0.000 0.974 198 Q CA 2.011 57.914 55.803 0.166 0.000 0.840 198 Q CB -0.575 28.240 28.738 0.129 0.000 0.898 198 Q HN 0.214 nan 8.270 nan 0.000 0.430 199 R N -1.219 119.304 120.500 0.038 0.000 2.134 199 R HA -0.250 4.090 4.340 -0.000 0.000 0.248 199 R C 1.631 177.768 176.300 -0.271 0.000 1.143 199 R CA 2.225 58.232 56.100 -0.155 0.000 0.957 199 R CB -0.459 29.662 30.300 -0.298 0.000 0.867 199 R HN 0.479 nan 8.270 nan 0.000 0.441 200 Y N -1.044 119.299 120.300 0.072 0.000 2.503 200 Y HA 0.222 4.772 4.550 -0.000 0.000 0.278 200 Y C 2.231 178.115 175.900 -0.026 0.000 1.111 200 Y CA 0.329 58.470 58.100 0.068 0.000 1.270 200 Y CB 0.122 38.665 38.460 0.138 0.000 1.063 200 Y HN 0.220 nan 8.280 nan 0.000 0.548 201 A N -0.050 122.814 122.820 0.073 0.000 2.070 201 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 201 A C 1.980 179.546 177.584 -0.031 0.000 1.159 201 A CA 1.208 53.214 52.037 -0.051 0.000 0.656 201 A CB -0.599 18.405 19.000 0.006 0.000 0.800 201 A HN 0.343 nan 8.150 nan 0.000 0.453 202 L N -0.407 120.817 121.223 0.001 0.000 2.109 202 L HA -0.030 4.310 4.340 -0.000 0.000 0.207 202 L C 2.627 179.503 176.870 0.010 0.000 1.086 202 L CA 2.041 56.877 54.840 -0.005 0.000 0.760 202 L CB -1.243 40.805 42.059 -0.018 0.000 0.910 202 L HN 0.347 nan 8.230 nan 0.000 0.437 203 S N -0.900 114.830 115.700 0.051 0.000 2.357 203 S HA -0.104 4.365 4.470 -0.000 0.000 0.221 203 S C 2.058 176.696 174.600 0.062 0.000 1.031 203 S CA 1.198 59.459 58.200 0.101 0.000 0.982 203 S CB -0.151 63.199 63.200 0.250 0.000 0.853 203 S HN 0.248 nan 8.310 nan 0.000 0.458 204 V N 1.389 121.305 119.914 0.003 0.000 2.358 204 V HA -0.025 4.095 4.120 -0.000 0.000 0.246 204 V C 0.856 176.916 176.094 -0.057 0.000 1.047 204 V CA 0.946 63.188 62.300 -0.098 0.000 1.035 204 V CB -0.586 31.007 31.823 -0.383 0.000 0.658 204 V HN 0.296 nan 8.190 nan 0.000 0.452 205 V N 3.336 123.218 119.914 -0.053 0.000 2.240 205 V HA 0.295 4.415 4.120 -0.000 0.000 0.265 205 V C -1.930 174.156 176.094 -0.014 0.000 1.073 205 V CA -1.856 60.430 62.300 -0.023 0.000 0.857 205 V CB 0.376 32.187 31.823 -0.020 0.000 1.114 205 V HN 0.316 nan 8.190 nan 0.000 0.469 206 P HA 0.048 nan 4.420 nan 0.000 0.272 206 P C -0.202 177.069 177.300 -0.048 0.000 1.243 206 P CA -0.274 62.806 63.100 -0.033 0.000 0.803 206 P CB 0.833 32.507 31.700 -0.044 0.000 0.974 207 R N -0.240 120.212 120.500 -0.081 0.000 2.543 207 R HA 0.307 4.647 4.340 -0.000 0.000 0.277 207 R C 0.938 177.175 176.300 -0.105 0.000 1.074 207 R CA 0.000 56.044 56.100 -0.093 0.000 1.076 207 R CB -0.377 29.853 30.300 -0.117 0.000 0.993 207 R HN 0.612 nan 8.270 nan 0.000 0.459 208 G N 1.335 110.080 108.800 -0.093 0.000 2.442 208 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.249 208 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.249 208 G C 0.866 175.691 174.900 -0.124 0.000 1.263 208 G CA -0.367 44.675 45.100 -0.098 0.000 0.846 208 G HN 0.630 nan 8.290 nan 0.000 0.555 209 K N 0.276 120.610 120.400 -0.110 0.000 2.032 209 K HA -0.087 4.233 4.320 -0.000 0.000 0.209 209 K C 1.639 178.173 176.600 -0.110 0.000 1.048 209 K CA 1.641 57.864 56.287 -0.106 0.000 0.927 209 K CB -0.144 32.312 32.500 -0.074 0.000 0.712 209 K HN 0.646 nan 8.250 nan 0.000 0.441 210 T N -2.195 112.274 114.554 -0.141 0.000 2.937 210 T HA 0.148 4.498 4.350 -0.000 0.000 0.283 210 T C 0.648 175.230 174.700 -0.196 0.000 1.012 210 T CA -0.890 61.118 62.100 -0.154 0.000 0.997 210 T CB 1.395 70.160 68.868 -0.172 0.000 1.136 210 T HN -0.049 nan 8.240 nan 0.000 0.551 211 D N 0.107 120.403 120.400 -0.174 0.000 2.097 211 D HA -0.114 4.526 4.640 -0.000 0.000 0.195 211 D C 1.779 177.916 176.300 -0.271 0.000 0.989 211 D CA 1.537 55.431 54.000 -0.177 0.000 0.827 211 D CB -0.121 40.603 40.800 -0.127 0.000 0.966 211 D HN 0.874 nan 8.370 nan 0.000 0.456 212 E N 0.545 120.541 120.200 -0.341 0.000 2.077 212 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 212 E C 2.007 177.979 176.600 -1.047 0.000 0.989 212 E CA 1.121 57.187 56.400 -0.557 0.000 0.800 212 E CB 0.006 29.418 29.700 -0.481 0.000 0.746 212 E HN 0.156 nan 8.360 nan 0.000 0.452 213 A N 1.136 123.419 122.820 -0.895 0.000 1.883 213 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 213 A C 2.093 179.439 177.584 -0.397 0.000 1.186 213 A CA 1.985 53.556 52.037 -0.777 0.000 0.624 213 A CB -0.730 18.063 19.000 -0.344 0.000 0.822 213 A HN 0.363 nan 8.150 nan 0.000 0.444 214 E N 0.242 120.265 120.200 -0.296 0.000 2.153 214 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 214 E C 1.855 178.343 176.600 -0.187 0.000 0.988 214 E CA 1.626 57.919 56.400 -0.178 0.000 0.811 214 E CB -0.330 29.276 29.700 -0.157 0.000 0.746 214 E HN 0.714 nan 8.360 nan 0.000 0.466 215 E N -0.651 119.380 120.200 -0.282 0.000 2.023 215 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 215 E C 1.587 178.122 176.600 -0.108 0.000 1.003 215 E CA 1.600 57.853 56.400 -0.245 0.000 0.809 215 E CB -0.258 29.332 29.700 -0.183 0.000 0.755 215 E HN 0.381 nan 8.360 nan 0.000 0.449 216 W N 0.420 121.765 121.300 0.075 0.000 2.317 216 W HA -0.154 4.506 4.660 -0.000 0.000 0.318 216 W C 2.551 179.137 176.519 0.111 0.000 1.227 216 W CA 0.903 58.387 57.345 0.232 0.000 1.269 216 W CB -1.570 27.999 29.460 0.180 0.000 1.155 216 W HN 0.242 nan 8.180 nan 0.000 0.484 217 A N 1.220 124.190 122.820 0.250 0.000 1.915 217 A HA -0.350 3.970 4.320 -0.000 0.000 0.220 217 A C 2.277 179.897 177.584 0.060 0.000 1.198 217 A CA 3.861 55.972 52.037 0.124 0.000 0.647 217 A CB -1.427 17.594 19.000 0.034 0.000 0.825 217 A HN 0.366 nan 8.150 nan 0.000 0.456 218 S N -1.473 114.194 115.700 -0.054 0.000 2.382 218 S HA -0.203 4.267 4.470 -0.000 0.000 0.228 218 S C 1.896 176.473 174.600 -0.037 0.000 1.027 218 S CA 1.423 59.554 58.200 -0.114 0.000 0.991 218 S CB -0.938 62.109 63.200 -0.255 0.000 0.823 218 S HN 0.649 nan 8.310 nan 0.000 0.469 219 Y N 2.325 122.732 120.300 0.178 0.000 2.145 219 Y HA 0.015 4.565 4.550 -0.000 0.000 0.286 219 Y C 3.105 179.154 175.900 0.249 0.000 1.145 219 Y CA 0.683 58.946 58.100 0.271 0.000 1.148 219 Y CB -1.079 37.590 38.460 0.349 0.000 0.981 219 Y HN 0.425 nan 8.280 nan 0.000 0.507 220 G N 0.373 109.363 108.800 0.317 0.000 2.491 220 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.218 220 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.218 220 G C 1.659 176.633 174.900 0.124 0.000 1.180 220 G CA 1.177 46.383 45.100 0.176 0.000 0.774 220 G HN 0.297 nan 8.290 nan 0.000 0.562 221 R N -0.386 120.172 120.500 0.096 0.000 2.105 221 R HA -0.049 4.290 4.340 -0.000 0.000 0.239 221 R C 2.486 178.838 176.300 0.086 0.000 1.135 221 R CA 1.199 57.333 56.100 0.057 0.000 0.967 221 R CB -0.628 29.691 30.300 0.031 0.000 0.861 221 R HN 0.419 nan 8.270 nan 0.000 0.442 222 L N 1.183 122.488 121.223 0.137 0.000 1.994 222 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 222 L C 2.156 179.137 176.870 0.185 0.000 1.071 222 L CA 1.503 56.431 54.840 0.147 0.000 0.745 222 L CB -0.766 41.395 42.059 0.169 0.000 0.892 222 L HN 0.088 nan 8.230 nan 0.000 0.431 223 L N -0.725 120.660 121.223 0.270 0.000 1.989 223 L HA -0.204 4.136 4.340 -0.000 0.000 0.211 223 L C 2.401 179.318 176.870 0.079 0.000 1.071 223 L CA 2.127 57.069 54.840 0.170 0.000 0.749 223 L CB -1.114 40.962 42.059 0.028 0.000 0.890 223 L HN 0.431 nan 8.230 nan 0.000 0.431 224 L N 0.449 121.706 121.223 0.057 0.000 1.971 224 L HA -0.260 4.080 4.340 -0.000 0.000 0.215 224 L C 2.901 179.803 176.870 0.053 0.000 1.072 224 L CA 2.657 57.514 54.840 0.029 0.000 0.758 224 L CB -0.971 41.069 42.059 -0.033 0.000 0.889 224 L HN 0.590 nan 8.230 nan 0.000 0.433 225 R N -1.210 119.325 120.500 0.058 0.000 2.096 225 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 225 R C 1.883 178.118 176.300 -0.109 0.000 1.127 225 R CA 1.520 57.656 56.100 0.059 0.000 0.968 225 R CB -0.677 29.692 30.300 0.115 0.000 0.861 225 R HN 0.377 nan 8.270 nan 0.000 0.440 226 E N 0.568 120.730 120.200 -0.062 0.000 2.107 226 E HA -0.074 4.276 4.350 -0.000 0.000 0.191 226 E C 1.959 178.482 176.600 -0.128 0.000 0.982 226 E CA 1.748 58.075 56.400 -0.121 0.000 0.809 226 E CB -0.274 29.396 29.700 -0.050 0.000 0.756 226 E HN 0.437 nan 8.360 nan 0.000 0.459 227 T N 1.256 115.805 114.554 -0.008 0.000 2.639 227 T HA -0.090 4.260 4.350 -0.000 0.000 0.261 227 T C 1.986 176.766 174.700 0.133 0.000 1.053 227 T CA 1.686 63.865 62.100 0.132 0.000 1.158 227 T CB -0.419 68.561 68.868 0.187 0.000 0.863 227 T HN 0.261 nan 8.240 nan 0.000 0.413 228 A N 1.604 124.492 122.820 0.112 0.000 1.948 228 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 228 A C 2.219 179.721 177.584 -0.138 0.000 1.177 228 A CA 2.168 54.313 52.037 0.180 0.000 0.636 228 A CB -0.659 18.490 19.000 0.248 0.000 0.815 228 A HN 0.495 nan 8.150 nan 0.000 0.449 229 K N -0.335 119.648 120.400 -0.693 0.000 2.026 229 K HA -0.207 4.113 4.320 -0.000 0.000 0.208 229 K C 2.219 178.613 176.600 -0.343 0.000 1.048 229 K CA 1.912 57.550 56.287 -1.082 0.000 0.929 229 K CB -0.195 31.671 32.500 -1.057 0.000 0.713 229 K HN 0.481 nan 8.250 nan 0.000 0.439 230 K N 0.720 121.003 120.400 -0.194 0.000 2.002 230 K HA -0.111 4.209 4.320 -0.000 0.000 0.209 230 K C 2.185 178.835 176.600 0.083 0.000 1.048 230 K CA 1.347 57.576 56.287 -0.097 0.000 0.930 230 K CB -0.153 32.203 32.500 -0.240 0.000 0.714 230 K HN 0.109 nan 8.250 nan 0.000 0.438 231 L N 0.570 121.941 121.223 0.248 0.000 2.051 231 L HA -0.273 4.067 4.340 -0.000 0.000 0.214 231 L C 2.616 179.595 176.870 0.181 0.000 1.076 231 L CA 1.482 56.493 54.840 0.286 0.000 0.758 231 L CB -0.670 41.604 42.059 0.358 0.000 0.890 231 L HN 0.371 nan 8.230 nan 0.000 0.433 232 A N -0.194 122.775 122.820 0.249 0.000 1.877 232 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 232 A C 2.293 179.959 177.584 0.137 0.000 1.186 232 A CA 1.392 53.573 52.037 0.240 0.000 0.620 232 A CB -0.705 18.630 19.000 0.558 0.000 0.822 232 A HN 0.348 nan 8.150 nan 0.000 0.443 233 L N 0.102 121.386 121.223 0.102 0.000 1.990 233 L HA -0.182 4.157 4.340 -0.000 0.000 0.213 233 L C 2.263 179.160 176.870 0.044 0.000 1.072 233 L CA 2.016 56.889 54.840 0.055 0.000 0.755 233 L CB -0.393 41.664 42.059 -0.003 0.000 0.889 233 L HN 0.689 nan 8.230 nan 0.000 0.432 234 I N -2.528 118.072 120.570 0.051 0.000 3.620 234 I HA 0.176 4.346 4.170 -0.000 0.000 0.305 234 I C 1.166 177.312 176.117 0.050 0.000 1.243 234 I CA 0.583 61.915 61.300 0.053 0.000 1.196 234 I CB -1.043 37.008 38.000 0.084 0.000 1.004 234 I HN 0.364 nan 8.210 nan 0.000 0.487 235 G N 2.422 111.244 108.800 0.037 0.000 2.179 235 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.257 235 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.257 235 G C 0.414 175.305 174.900 -0.015 0.000 1.010 235 G CA 0.620 45.726 45.100 0.009 0.000 0.736 235 G HN 0.826 nan 8.290 nan 0.000 0.513 236 T N -1.981 112.569 114.554 -0.007 0.000 3.514 236 T HA 0.591 4.940 4.350 -0.000 0.000 0.259 236 T C -1.813 172.818 174.700 -0.116 0.000 1.466 236 T CA -0.970 61.108 62.100 -0.035 0.000 1.562 236 T CB 1.887 70.777 68.868 0.035 0.000 0.924 236 T HN 0.154 nan 8.240 nan 0.000 0.678 237 P HA 0.124 nan 4.420 nan 0.000 0.235 237 P C -0.029 176.837 177.300 -0.724 0.000 1.670 237 P CA 0.174 62.732 63.100 -0.904 0.000 1.017 237 P CB -0.385 30.587 31.700 -1.214 0.000 1.945 238 S N 1.761 117.320 115.700 -0.235 0.000 2.457 238 S HA 0.304 4.773 4.470 -0.000 0.000 0.289 238 S C 1.389 176.072 174.600 0.139 0.000 1.163 238 S CA -0.691 57.476 58.200 -0.056 0.000 1.078 238 S CB 0.416 63.612 63.200 -0.006 0.000 0.987 238 S HN -0.054 nan 8.310 nan 0.000 0.482 239 M N 4.179 123.882 119.600 0.171 0.000 2.254 239 M HA 0.030 4.510 4.480 -0.000 0.000 0.265 239 M C 2.056 178.505 176.300 0.248 0.000 1.066 239 M CA 1.232 56.708 55.300 0.294 0.000 1.123 239 M CB -1.235 31.524 32.600 0.265 0.000 1.388 239 M HN 0.809 nan 8.290 nan 0.000 0.425 240 R N 0.257 120.842 120.500 0.141 0.000 2.075 240 R HA -0.127 4.213 4.340 -0.000 0.000 0.232 240 R C 2.043 178.436 176.300 0.154 0.000 1.126 240 R CA 1.211 57.374 56.100 0.105 0.000 0.963 240 R CB 0.088 30.399 30.300 0.017 0.000 0.858 240 R HN 0.207 nan 8.270 nan 0.000 0.435 241 E N 0.746 121.017 120.200 0.119 0.000 2.051 241 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 241 E C 1.980 178.713 176.600 0.221 0.000 0.991 241 E CA 0.941 57.401 56.400 0.099 0.000 0.799 241 E CB -0.319 29.440 29.700 0.098 0.000 0.748 241 E HN 0.224 nan 8.360 nan 0.000 0.449 242 L N 0.577 121.981 121.223 0.301 0.000 1.990 242 L HA -0.205 4.135 4.340 -0.000 0.000 0.213 242 L C 2.301 179.336 176.870 0.275 0.000 1.072 242 L CA 1.723 56.765 54.840 0.337 0.000 0.755 242 L CB -0.919 41.384 42.059 0.407 0.000 0.889 242 L HN 0.087 nan 8.230 nan 0.000 0.432 243 F N -0.412 119.624 119.950 0.142 0.000 2.134 243 F HA -0.253 4.274 4.527 -0.000 0.000 0.299 243 F C 2.597 178.419 175.800 0.036 0.000 1.097 243 F CA 2.030 60.084 58.000 0.090 0.000 1.264 243 F CB -0.503 38.553 39.000 0.093 0.000 1.001 243 F HN 0.498 nan 8.300 nan 0.000 0.479 244 H N -1.170 118.005 119.070 0.176 0.000 2.253 244 H HA -0.262 4.293 4.556 -0.000 0.000 0.296 244 H C 2.197 177.435 175.328 -0.149 0.000 1.074 244 H CA 2.635 58.653 56.048 -0.050 0.000 1.263 244 H CB -1.230 28.359 29.762 -0.288 0.000 1.363 244 H HN 0.411 nan 8.280 nan 0.000 0.489 245 W N 0.508 121.550 121.300 -0.431 0.000 2.318 245 W HA -0.248 4.412 4.660 -0.000 0.000 0.313 245 W C 2.910 179.184 176.519 -0.409 0.000 1.221 245 W CA 1.937 58.972 57.345 -0.516 0.000 1.266 245 W CB -0.606 28.605 29.460 -0.415 0.000 1.150 245 W HN 0.467 nan 8.180 nan 0.000 0.496 246 T N -3.910 110.604 114.554 -0.068 0.000 3.035 246 T HA -0.093 4.257 4.350 -0.000 0.000 0.268 246 T C 1.268 175.784 174.700 -0.307 0.000 1.109 246 T CA 1.583 63.576 62.100 -0.177 0.000 1.119 246 T CB -0.483 68.298 68.868 -0.145 0.000 0.900 246 T HN 0.241 nan 8.240 nan 0.000 0.503 247 T N -2.457 111.863 114.554 -0.391 0.000 3.092 247 T HA 0.410 4.760 4.350 -0.000 0.000 0.273 247 T C 1.339 175.861 174.700 -0.297 0.000 0.898 247 T CA -0.417 61.439 62.100 -0.406 0.000 0.868 247 T CB 0.132 68.628 68.868 -0.620 0.000 1.228 247 T HN 0.248 nan 8.240 nan 0.000 0.555 248 I N 1.782 122.170 120.570 -0.304 0.000 3.136 248 I HA 0.485 4.655 4.170 -0.000 0.000 0.262 248 I C 1.768 177.729 176.117 -0.259 0.000 1.132 248 I CA 0.117 61.292 61.300 -0.208 0.000 1.450 248 I CB -1.398 36.567 38.000 -0.058 0.000 1.315 248 I HN 0.331 nan 8.210 nan 0.000 0.460 249 A N 2.231 124.720 122.820 -0.553 0.000 2.583 249 A HA 0.173 4.493 4.320 -0.000 0.000 0.231 249 A C 0.980 178.521 177.584 -0.071 0.000 1.065 249 A CA 0.674 52.522 52.037 -0.315 0.000 0.760 249 A CB -0.419 18.466 19.000 -0.192 0.000 1.001 249 A HN 0.562 nan 8.150 nan 0.000 0.509 250 T N -0.989 113.585 114.554 0.033 0.000 2.766 250 T HA 0.296 4.646 4.350 -0.000 0.000 0.295 250 T C 0.899 175.673 174.700 0.124 0.000 1.024 250 T CA 0.334 62.484 62.100 0.082 0.000 1.018 250 T CB 0.117 69.042 68.868 0.096 0.000 1.002 250 T HN 0.418 nan 8.240 nan 0.000 0.532 251 F N 1.458 121.382 119.950 -0.043 0.000 2.043 251 F HA -0.088 4.439 4.527 -0.000 0.000 0.297 251 F C 2.146 177.938 175.800 -0.013 0.000 1.121 251 F CA 2.327 60.295 58.000 -0.053 0.000 1.199 251 F CB -0.683 38.279 39.000 -0.062 0.000 0.968 251 F HN 0.650 nan 8.300 nan 0.000 0.478 252 D N 0.089 120.605 120.400 0.194 0.000 2.087 252 D HA -0.197 4.443 4.640 -0.000 0.000 0.192 252 D C 1.958 178.311 176.300 0.088 0.000 0.993 252 D CA 1.715 55.784 54.000 0.116 0.000 0.828 252 D CB -0.862 40.006 40.800 0.112 0.000 0.968 252 D HN 0.265 nan 8.370 nan 0.000 0.448 253 D N 0.533 121.018 120.400 0.142 0.000 2.126 253 D HA -0.167 4.473 4.640 -0.000 0.000 0.190 253 D C 2.323 178.735 176.300 0.188 0.000 1.001 253 D CA 0.469 54.611 54.000 0.236 0.000 0.841 253 D CB -0.542 40.478 40.800 0.367 0.000 0.949 253 D HN 0.184 nan 8.370 nan 0.000 0.446 254 L N 0.662 121.967 121.223 0.137 0.000 1.989 254 L HA -0.215 4.125 4.340 -0.000 0.000 0.211 254 L C 2.716 179.528 176.870 -0.097 0.000 1.071 254 L CA 1.337 56.175 54.840 -0.004 0.000 0.749 254 L CB -0.065 41.920 42.059 -0.123 0.000 0.890 254 L HN -0.045 nan 8.230 nan 0.000 0.431 255 R N -0.173 120.256 120.500 -0.118 0.000 2.134 255 R HA -0.212 4.128 4.340 -0.000 0.000 0.248 255 R C 2.040 178.299 176.300 -0.069 0.000 1.143 255 R CA 1.685 57.725 56.100 -0.100 0.000 0.957 255 R CB -1.337 28.933 30.300 -0.050 0.000 0.867 255 R HN 0.601 nan 8.270 nan 0.000 0.441 256 G N 0.329 109.109 108.800 -0.033 0.000 2.511 256 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.216 256 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.216 256 G C 1.357 176.190 174.900 -0.112 0.000 1.218 256 G CA 0.690 45.768 45.100 -0.037 0.000 0.788 256 G HN 0.326 nan 8.290 nan 0.000 0.560 257 F N 1.441 121.175 119.950 -0.359 0.000 2.141 257 F HA -0.134 4.393 4.527 -0.000 0.000 0.300 257 F C 2.398 177.968 175.800 -0.383 0.000 1.079 257 F CA 1.399 59.061 58.000 -0.563 0.000 1.264 257 F CB -0.208 38.050 39.000 -1.236 0.000 1.011 257 F HN 0.054 nan 8.300 nan 0.000 0.487 258 L N -0.166 120.854 121.223 -0.338 0.000 2.376 258 L HA -0.085 4.255 4.340 -0.000 0.000 0.219 258 L C 0.788 177.499 176.870 -0.265 0.000 1.133 258 L CA 0.321 54.977 54.840 -0.307 0.000 0.816 258 L CB -0.829 41.154 42.059 -0.127 0.000 0.933 258 L HN 0.074 nan 8.230 nan 0.000 0.449 259 E N 0.192 120.256 120.200 -0.227 0.000 2.452 259 E HA 0.094 4.443 4.350 -0.000 0.000 0.261 259 E C 1.141 177.618 176.600 -0.205 0.000 0.987 259 E CA 0.611 56.910 56.400 -0.168 0.000 0.926 259 E CB 0.356 29.980 29.700 -0.127 0.000 0.934 259 E HN 0.317 nan 8.360 nan 0.000 0.452 260 G N 2.657 111.365 108.800 -0.153 0.000 2.284 260 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.230 260 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.230 260 G C 0.517 175.322 174.900 -0.158 0.000 1.021 260 G CA 0.329 45.339 45.100 -0.151 0.000 0.619 260 G HN 0.715 nan 8.290 nan 0.000 0.510 261 T N -0.496 113.945 114.554 -0.187 0.000 2.918 261 T HA 0.702 5.052 4.350 -0.000 0.000 0.283 261 T C 1.754 176.383 174.700 -0.119 0.000 1.001 261 T CA -0.121 61.877 62.100 -0.171 0.000 1.041 261 T CB 1.706 70.448 68.868 -0.209 0.000 1.028 261 T HN 0.289 nan 8.240 nan 0.000 0.511 262 L N 1.135 122.297 121.223 -0.102 0.000 2.043 262 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 262 L C 3.049 179.871 176.870 -0.079 0.000 1.075 262 L CA 1.769 56.561 54.840 -0.080 0.000 0.752 262 L CB -0.966 41.051 42.059 -0.069 0.000 0.891 262 L HN 0.939 nan 8.230 nan 0.000 0.432 263 A N -0.597 122.184 122.820 -0.066 0.000 2.216 263 A HA -0.201 4.119 4.320 -0.000 0.000 0.214 263 A C 2.144 179.724 177.584 -0.007 0.000 1.160 263 A CA 1.262 53.278 52.037 -0.035 0.000 0.725 263 A CB -0.499 18.557 19.000 0.094 0.000 0.784 263 A HN 0.532 nan 8.150 nan 0.000 0.472 264 E N 0.186 120.358 120.200 -0.047 0.000 2.035 264 E HA -0.225 4.124 4.350 -0.000 0.000 0.204 264 E C 2.071 178.658 176.600 -0.022 0.000 1.025 264 E CA 1.949 58.322 56.400 -0.045 0.000 0.835 264 E CB -0.201 29.456 29.700 -0.072 0.000 0.764 264 E HN 0.531 nan 8.360 nan 0.000 0.457 265 S N 0.339 116.014 115.700 -0.042 0.000 2.345 265 S HA -0.068 4.401 4.470 -0.000 0.000 0.219 265 S C 2.039 176.607 174.600 -0.054 0.000 1.031 265 S CA 0.967 59.145 58.200 -0.037 0.000 0.984 265 S CB -0.349 62.825 63.200 -0.043 0.000 0.874 265 S HN 0.273 nan 8.310 nan 0.000 0.451 266 L N 0.029 121.179 121.223 -0.120 0.000 2.113 266 L HA -0.219 4.121 4.340 -0.000 0.000 0.221 266 L C 1.523 178.232 176.870 -0.269 0.000 1.084 266 L CA 1.630 56.329 54.840 -0.235 0.000 0.787 266 L CB -0.673 41.154 42.059 -0.386 0.000 0.893 266 L HN 0.304 nan 8.230 nan 0.000 0.440 267 F N -0.314 119.612 119.950 -0.041 0.000 2.676 267 F HA 0.368 4.895 4.527 -0.000 0.000 0.300 267 F C 0.797 176.570 175.800 -0.045 0.000 1.160 267 F CA -0.348 57.614 58.000 -0.063 0.000 1.401 267 F CB 0.138 39.072 39.000 -0.111 0.000 1.037 267 F HN 0.019 nan 8.300 nan 0.000 0.522 268 A N -1.008 121.877 122.820 0.110 0.000 2.587 268 A HA 0.696 5.016 4.320 -0.000 0.000 0.293 268 A C 0.537 178.151 177.584 0.050 0.000 1.087 268 A CA 0.029 52.118 52.037 0.088 0.000 0.692 268 A CB 1.151 20.191 19.000 0.068 0.000 1.291 268 A HN 0.361 nan 8.150 nan 0.000 0.407 269 G N -0.597 108.233 108.800 0.049 0.000 2.296 269 G HA2 0.333 4.292 3.960 -0.000 0.000 0.188 269 G HA3 0.333 4.292 3.960 -0.000 0.000 0.188 269 G C 0.287 175.204 174.900 0.029 0.000 1.000 269 G CA 0.724 45.842 45.100 0.030 0.000 0.672 269 G HN 2.592 nan 8.290 nan 0.000 0.483 270 S N -1.286 114.438 115.700 0.038 0.000 2.636 270 S HA 0.526 4.996 4.470 -0.000 0.000 0.266 270 S C 0.497 175.121 174.600 0.039 0.000 1.147 270 S CA 0.175 58.394 58.200 0.032 0.000 0.815 270 S CB 0.595 63.810 63.200 0.025 0.000 1.119 270 S HN 0.011 nan 8.310 nan 0.000 0.470 271 N N 0.868 119.585 118.700 0.028 0.000 2.188 271 N HA -0.098 4.642 4.740 -0.000 0.000 0.184 271 N C 1.442 176.972 175.510 0.033 0.000 1.018 271 N CA 1.569 54.634 53.050 0.025 0.000 0.858 271 N CB -0.521 37.974 38.487 0.013 0.000 0.989 271 N HN 0.773 nan 8.380 nan 0.000 0.426 272 E N 1.697 121.916 120.200 0.032 0.000 2.085 272 E HA -0.087 4.263 4.350 -0.000 0.000 0.194 272 E C 1.844 178.458 176.600 0.023 0.000 0.994 272 E CA 1.467 57.885 56.400 0.030 0.000 0.801 272 E CB -0.378 29.342 29.700 0.035 0.000 0.743 272 E HN 0.304 nan 8.360 nan 0.000 0.453 273 A N -0.110 122.735 122.820 0.041 0.000 1.883 273 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 273 A C 2.458 180.130 177.584 0.146 0.000 1.186 273 A CA 2.140 54.220 52.037 0.072 0.000 0.624 273 A CB -0.841 18.204 19.000 0.075 0.000 0.822 273 A HN 0.319 nan 8.150 nan 0.000 0.444 274 S N -0.514 115.274 115.700 0.147 0.000 2.382 274 S HA -0.151 4.319 4.470 -0.000 0.000 0.228 274 S C 1.972 176.673 174.600 0.168 0.000 1.027 274 S CA 1.504 59.845 58.200 0.235 0.000 0.991 274 S CB -0.246 63.053 63.200 0.164 0.000 0.823 274 S HN 0.684 nan 8.310 nan 0.000 0.469 275 K N 1.595 122.034 120.400 0.065 0.000 2.057 275 K HA -0.087 4.233 4.320 -0.000 0.000 0.207 275 K C 2.243 178.822 176.600 -0.035 0.000 1.049 275 K CA 1.210 57.510 56.287 0.021 0.000 0.931 275 K CB -0.371 32.139 32.500 0.017 0.000 0.714 275 K HN 0.298 nan 8.250 nan 0.000 0.440 276 A N 1.690 124.437 122.820 -0.121 0.000 1.908 276 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 276 A C 2.159 179.657 177.584 -0.142 0.000 1.181 276 A CA 1.326 53.105 52.037 -0.430 0.000 0.627 276 A CB -0.674 17.942 19.000 -0.640 0.000 0.818 276 A HN 0.416 nan 8.150 nan 0.000 0.445 277 L N -0.683 120.495 121.223 -0.075 0.000 2.017 277 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 277 L C 2.739 179.455 176.870 -0.256 0.000 1.073 277 L CA 2.174 56.705 54.840 -0.516 0.000 0.745 277 L CB -0.709 40.998 42.059 -0.586 0.000 0.894 277 L HN 0.412 nan 8.230 nan 0.000 0.432 278 T N -0.734 113.826 114.554 0.011 0.000 2.699 278 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 278 T C 2.014 176.705 174.700 -0.015 0.000 1.036 278 T CA 1.798 63.909 62.100 0.019 0.000 1.147 278 T CB -0.152 68.761 68.868 0.074 0.000 0.862 278 T HN 0.357 nan 8.240 nan 0.000 0.446 279 S N 1.085 116.788 115.700 0.004 0.000 2.355 279 S HA -0.010 4.460 4.470 -0.000 0.000 0.222 279 S C 2.603 177.258 174.600 0.091 0.000 1.031 279 S CA 0.924 59.129 58.200 0.008 0.000 0.993 279 S CB -0.592 62.571 63.200 -0.062 0.000 0.859 279 S HN 0.603 nan 8.310 nan 0.000 0.453 280 A N 2.481 125.346 122.820 0.074 0.000 1.908 280 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 280 A C 2.167 179.727 177.584 -0.040 0.000 1.181 280 A CA 1.267 53.350 52.037 0.076 0.000 0.627 280 A CB -0.492 18.507 19.000 -0.001 0.000 0.818 280 A HN 0.303 nan 8.150 nan 0.000 0.445 281 R N -1.176 119.225 120.500 -0.165 0.000 2.097 281 R HA -0.167 4.173 4.340 -0.000 0.000 0.236 281 R C 1.986 178.181 176.300 -0.174 0.000 1.135 281 R CA 1.843 57.791 56.100 -0.255 0.000 0.934 281 R CB -1.215 28.843 30.300 -0.403 0.000 0.846 281 R HN 0.638 nan 8.270 nan 0.000 0.431 282 F N 0.838 120.719 119.950 -0.114 0.000 2.091 282 F HA -0.268 4.259 4.527 -0.000 0.000 0.299 282 F C 2.694 178.458 175.800 -0.060 0.000 1.103 282 F CA 1.215 59.153 58.000 -0.103 0.000 1.228 282 F CB -0.557 38.350 39.000 -0.155 0.000 0.984 282 F HN -0.190 nan 8.300 nan 0.000 0.477 283 V N -0.083 119.937 119.914 0.177 0.000 2.233 283 V HA -0.333 3.787 4.120 -0.000 0.000 0.247 283 V C 2.293 178.437 176.094 0.082 0.000 1.050 283 V CA 1.532 63.917 62.300 0.141 0.000 1.010 283 V CB -0.790 31.131 31.823 0.163 0.000 0.637 283 V HN 0.194 nan 8.190 nan 0.000 0.444 284 L N 1.234 122.473 121.223 0.027 0.000 2.043 284 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 284 L C 2.771 179.625 176.870 -0.028 0.000 1.075 284 L CA 2.580 57.407 54.840 -0.023 0.000 0.752 284 L CB -1.587 40.416 42.059 -0.094 0.000 0.891 284 L HN 0.649 nan 8.230 nan 0.000 0.432 285 S N -1.992 113.670 115.700 -0.063 0.000 2.469 285 S HA -0.154 4.316 4.470 -0.000 0.000 0.238 285 S C 1.577 176.238 174.600 0.102 0.000 0.998 285 S CA 1.211 59.384 58.200 -0.045 0.000 0.957 285 S CB -0.312 62.862 63.200 -0.043 0.000 0.764 285 S HN 0.470 nan 8.310 nan 0.000 0.514 286 D N 1.017 121.481 120.400 0.106 0.000 2.216 286 D HA 0.088 4.728 4.640 -0.000 0.000 0.208 286 D C 1.856 178.229 176.300 0.121 0.000 0.960 286 D CA 0.708 54.777 54.000 0.115 0.000 0.861 286 D CB 0.114 40.975 40.800 0.102 0.000 0.985 286 D HN 0.315 nan 8.370 nan 0.000 0.493 287 K N 0.812 121.287 120.400 0.125 0.000 2.099 287 K HA 0.120 4.440 4.320 -0.000 0.000 0.203 287 K C 2.460 179.232 176.600 0.286 0.000 1.047 287 K CA 0.019 56.399 56.287 0.155 0.000 0.963 287 K CB -0.705 31.860 32.500 0.108 0.000 0.759 287 K HN 0.140 nan 8.250 nan 0.000 0.451 288 L N 1.374 122.765 121.223 0.280 0.000 2.021 288 L HA -0.208 4.132 4.340 -0.000 0.000 0.215 288 L C -0.707 176.444 176.870 0.468 0.000 1.074 288 L CA 1.565 56.654 54.840 0.415 0.000 0.760 288 L CB -1.790 40.501 42.059 0.385 0.000 0.889 288 L HN 0.082 nan 8.230 nan 0.000 0.433 289 P HA -0.298 nan 4.420 nan 0.000 0.218 289 P C 1.328 178.695 177.300 0.112 0.000 1.018 289 P CA 1.859 65.106 63.100 0.246 0.000 1.016 289 P CB -0.049 31.775 31.700 0.208 0.000 0.748 290 E N -1.964 118.282 120.200 0.077 0.000 2.130 290 E HA -0.222 4.128 4.350 -0.000 0.000 0.196 290 E C 2.056 178.652 176.600 -0.007 0.000 0.998 290 E CA 1.265 57.661 56.400 -0.007 0.000 0.806 290 E CB -1.067 28.560 29.700 -0.122 0.000 0.738 290 E HN 0.518 nan 8.360 nan 0.000 0.459 291 H N -0.207 118.933 119.070 0.116 0.000 2.422 291 H HA -0.068 4.488 4.556 -0.000 0.000 0.298 291 H C 2.209 177.645 175.328 0.180 0.000 1.098 291 H CA 1.182 57.349 56.048 0.198 0.000 1.315 291 H CB -0.018 29.881 29.762 0.228 0.000 1.382 291 H HN 0.012 nan 8.280 nan 0.000 0.523 292 V N 0.796 120.841 119.914 0.218 0.000 2.231 292 V HA -0.190 3.930 4.120 -0.000 0.000 0.240 292 V C 2.627 178.737 176.094 0.028 0.000 1.039 292 V CA 2.203 64.554 62.300 0.084 0.000 0.998 292 V CB -0.900 30.839 31.823 -0.140 0.000 0.639 292 V HN 0.557 nan 8.190 nan 0.000 0.451 293 T N -1.880 112.658 114.554 -0.026 0.000 3.179 293 T HA -0.116 4.234 4.350 -0.000 0.000 0.269 293 T C 0.697 175.364 174.700 -0.055 0.000 1.187 293 T CA 0.609 62.678 62.100 -0.052 0.000 1.054 293 T CB -0.481 68.358 68.868 -0.048 0.000 0.874 293 T HN 0.105 nan 8.240 nan 0.000 0.568 294 M N 2.385 122.004 119.600 0.030 0.000 2.146 294 M HA 0.381 4.861 4.480 -0.000 0.000 0.357 294 M C -2.528 173.825 176.300 0.089 0.000 1.261 294 M CA -2.759 52.589 55.300 0.080 0.000 1.106 294 M CB 1.028 33.770 32.600 0.237 0.000 1.612 294 M HN -0.085 nan 8.290 nan 0.000 0.470 295 P HA -0.059 nan 4.420 nan 0.000 0.258 295 P C -0.526 176.834 177.300 0.100 0.000 1.172 295 P CA 0.385 63.517 63.100 0.052 0.000 0.762 295 P CB 0.264 31.986 31.700 0.036 0.000 0.764 296 D N 2.060 122.502 120.400 0.069 0.000 2.339 296 D HA 0.425 5.065 4.640 -0.000 0.000 0.245 296 D C 0.494 176.840 176.300 0.077 0.000 1.115 296 D CA 0.467 54.509 54.000 0.070 0.000 0.917 296 D CB 1.127 41.944 40.800 0.028 0.000 1.192 296 D HN 0.450 nan 8.370 nan 0.000 0.428 297 G N 0.879 109.730 108.800 0.085 0.000 2.570 297 G HA2 0.182 4.142 3.960 -0.000 0.000 0.310 297 G HA3 0.182 4.142 3.960 -0.000 0.000 0.310 297 G C -0.625 174.327 174.900 0.086 0.000 1.266 297 G CA -0.183 44.978 45.100 0.101 0.000 0.825 297 G HN 0.478 nan 8.290 nan 0.000 0.483 298 D N -1.346 119.125 120.400 0.120 0.000 2.469 298 D HA 0.204 4.844 4.640 -0.000 0.000 0.213 298 D C 0.370 176.750 176.300 0.133 0.000 1.135 298 D CA -0.580 53.466 54.000 0.077 0.000 0.834 298 D CB 0.031 40.855 40.800 0.040 0.000 1.009 298 D HN 0.178 nan 8.370 nan 0.000 0.507 299 F N 2.366 122.383 119.950 0.112 0.000 2.629 299 F HA 0.253 4.779 4.527 -0.000 0.000 0.377 299 F C 0.243 176.201 175.800 0.263 0.000 1.101 299 F CA 0.214 58.317 58.000 0.171 0.000 1.301 299 F CB 0.820 39.925 39.000 0.174 0.000 1.062 299 F HN -0.097 nan 8.300 nan 0.000 0.583 300 S N 7.057 122.479 115.700 -0.463 0.000 2.756 300 S HA 0.392 4.862 4.470 -0.000 0.000 0.303 300 S C 0.984 175.464 174.600 -0.201 0.000 1.135 300 S CA -0.865 57.288 58.200 -0.079 0.000 1.066 300 S CB 0.405 63.559 63.200 -0.075 0.000 1.008 300 S HN 0.700 nan 8.310 nan 0.000 0.482 301 I N 4.387 125.147 120.570 0.316 0.000 2.248 301 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 301 I C 2.673 178.981 176.117 0.317 0.000 1.107 301 I CA 1.234 62.781 61.300 0.412 0.000 1.373 301 I CB -0.188 38.025 38.000 0.354 0.000 1.055 301 I HN 0.660 nan 8.210 nan 0.000 0.418 302 R N 0.455 121.080 120.500 0.209 0.000 2.070 302 R HA -0.134 4.206 4.340 -0.000 0.000 0.232 302 R C 2.542 178.902 176.300 0.100 0.000 1.138 302 R CA 1.969 58.166 56.100 0.162 0.000 0.936 302 R CB -0.531 29.839 30.300 0.118 0.000 0.839 302 R HN 0.293 nan 8.270 nan 0.000 0.429 303 S N 0.384 116.100 115.700 0.027 0.000 2.374 303 S HA -0.220 4.250 4.470 -0.000 0.000 0.227 303 S C 1.404 176.008 174.600 0.007 0.000 1.037 303 S CA 1.404 59.593 58.200 -0.018 0.000 1.024 303 S CB -0.485 62.665 63.200 -0.083 0.000 0.861 303 S HN 0.479 nan 8.310 nan 0.000 0.456 304 W N 2.592 123.789 121.300 -0.172 0.000 2.318 304 W HA -0.147 4.513 4.660 -0.000 0.000 0.313 304 W C 1.709 178.234 176.519 0.010 0.000 1.221 304 W CA 1.208 58.504 57.345 -0.082 0.000 1.266 304 W CB -0.668 28.805 29.460 0.020 0.000 1.150 304 W HN 0.201 nan 8.180 nan 0.000 0.496 305 L N 0.308 121.533 121.223 0.003 0.000 2.042 305 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 305 L C 2.401 179.141 176.870 -0.216 0.000 1.076 305 L CA 2.051 56.772 54.840 -0.199 0.000 0.749 305 L CB -1.004 41.080 42.059 0.041 0.000 0.893 305 L HN 0.069 nan 8.230 nan 0.000 0.432 306 E N -0.629 119.507 120.200 -0.107 0.000 2.204 306 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 306 E C 0.546 177.076 176.600 -0.116 0.000 0.989 306 E CA 0.359 56.706 56.400 -0.087 0.000 0.824 306 E CB -0.086 29.590 29.700 -0.039 0.000 0.756 306 E HN 0.295 nan 8.360 nan 0.000 0.477 307 D N 0.667 120.977 120.400 -0.149 0.000 2.338 307 D HA 0.027 4.667 4.640 -0.000 0.000 0.255 307 D C -1.882 174.306 176.300 -0.187 0.000 1.237 307 D CA -2.325 51.597 54.000 -0.131 0.000 0.883 307 D CB 1.302 42.050 40.800 -0.086 0.000 1.087 307 D HN -0.219 nan 8.370 nan 0.000 0.485 308 P HA -0.118 nan 4.420 nan 0.000 0.214 308 P C 0.604 177.850 177.300 -0.090 0.000 1.163 308 P CA 1.035 64.068 63.100 -0.112 0.000 0.883 308 P CB 0.169 31.831 31.700 -0.063 0.000 0.788 309 N N -0.650 118.024 118.700 -0.043 0.000 2.575 309 N HA -0.025 4.715 4.740 -0.000 0.000 0.192 309 N C 1.818 177.345 175.510 0.028 0.000 1.200 309 N CA 0.946 53.998 53.050 0.003 0.000 0.897 309 N CB -0.783 37.717 38.487 0.022 0.000 0.990 309 N HN 0.198 nan 8.380 nan 0.000 0.449 310 G N 0.839 109.614 108.800 -0.042 0.000 2.507 310 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.221 310 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.221 310 G C 0.966 176.036 174.900 0.283 0.000 1.119 310 G CA 1.108 46.218 45.100 0.018 0.000 0.751 310 G HN 0.640 nan 8.290 nan 0.000 0.574 311 G N -0.533 108.380 108.800 0.188 0.000 2.508 311 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.220 311 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.220 311 G C -0.638 174.578 174.900 0.527 0.000 1.287 311 G CA -0.063 45.237 45.100 0.334 0.000 0.916 311 G HN 0.629 nan 8.290 nan 0.000 0.574 312 N N -0.280 118.766 118.700 0.577 0.000 2.292 312 N HA 0.662 5.402 4.740 -0.000 0.000 0.303 312 N C -0.842 174.880 175.510 0.353 0.000 1.140 312 N CA -0.574 52.817 53.050 0.568 0.000 0.788 312 N CB 2.213 40.862 38.487 0.270 0.000 1.361 312 N HN 0.655 nan 8.380 nan 0.000 0.489 313 L N 1.458 122.663 121.223 -0.029 0.000 2.322 313 L HA 0.546 4.886 4.340 -0.000 0.000 0.281 313 L C -1.419 175.255 176.870 -0.327 0.000 1.014 313 L CA -0.660 53.944 54.840 -0.392 0.000 0.815 313 L CB 0.612 42.079 42.059 -0.987 0.000 1.247 313 L HN 0.399 nan 8.230 nan 0.000 0.421 314 F N 5.384 125.229 119.950 -0.176 0.000 2.460 314 F HA 0.451 4.978 4.527 -0.000 0.000 0.341 314 F C 0.155 175.893 175.800 -0.103 0.000 1.130 314 F CA -0.470 57.487 58.000 -0.072 0.000 0.962 314 F CB 1.480 40.464 39.000 -0.026 0.000 1.171 314 F HN 0.196 nan 8.300 nan 0.000 0.436 315 I N 3.910 124.556 120.570 0.126 0.000 2.297 315 I HA 0.325 4.495 4.170 -0.000 0.000 0.291 315 I C 0.047 176.411 176.117 0.410 0.000 1.033 315 I CA -0.234 61.153 61.300 0.145 0.000 1.253 315 I CB 0.968 39.057 38.000 0.149 0.000 1.396 315 I HN 0.624 nan 8.210 nan 0.000 0.476 316 T N 2.196 116.990 114.554 0.399 0.000 2.916 316 T HA 0.792 5.142 4.350 -0.000 0.000 0.292 316 T C -1.055 173.986 174.700 0.567 0.000 1.055 316 T CA -0.743 61.605 62.100 0.412 0.000 1.009 316 T CB 2.115 71.091 68.868 0.179 0.000 1.118 316 T HN 0.718 nan 8.240 nan 0.000 0.497 317 W N -0.494 120.821 121.300 0.025 0.000 3.057 317 W HA 0.653 5.313 4.660 -0.000 0.000 0.328 317 W C -1.641 174.787 176.519 -0.152 0.000 1.232 317 W CA -1.280 56.045 57.345 -0.033 0.000 1.187 317 W CB 0.986 30.461 29.460 0.025 0.000 1.417 317 W HN 0.702 nan 8.180 nan 0.000 0.569 318 R N 1.983 122.368 120.500 -0.191 0.000 2.308 318 R HA 0.123 4.463 4.340 -0.000 0.000 0.305 318 R C 0.936 177.138 176.300 -0.162 0.000 1.053 318 R CA -0.505 55.390 56.100 -0.341 0.000 0.957 318 R CB 1.604 31.647 30.300 -0.427 0.000 1.022 318 R HN 0.788 nan 8.270 nan 0.000 0.461 319 E N 1.585 121.641 120.200 -0.239 0.000 2.169 319 E HA -0.263 4.087 4.350 -0.000 0.000 0.202 319 E C 0.936 177.545 176.600 0.015 0.000 1.016 319 E CA 1.986 58.332 56.400 -0.089 0.000 0.817 319 E CB 0.136 29.765 29.700 -0.119 0.000 0.736 319 E HN 0.613 nan 8.360 nan 0.000 0.462 320 D N -0.754 119.625 120.400 -0.036 0.000 2.378 320 D HA -0.151 4.489 4.640 -0.000 0.000 0.227 320 D C 1.303 177.599 176.300 -0.008 0.000 1.012 320 D CA 0.745 54.732 54.000 -0.021 0.000 0.905 320 D CB -0.069 40.703 40.800 -0.046 0.000 0.895 320 D HN 0.265 nan 8.370 nan 0.000 0.532 321 M N -0.468 119.147 119.600 0.024 0.000 2.347 321 M HA 0.294 4.774 4.480 -0.000 0.000 0.302 321 M C 1.796 178.148 176.300 0.086 0.000 1.051 321 M CA -0.015 55.291 55.300 0.010 0.000 0.988 321 M CB 1.393 33.937 32.600 -0.093 0.000 1.475 321 M HN 0.078 nan 8.290 nan 0.000 0.530 322 G N 2.749 111.672 108.800 0.205 0.000 2.469 322 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.219 322 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.219 322 G C -0.592 174.300 174.900 -0.014 0.000 1.150 322 G CA 0.825 46.025 45.100 0.167 0.000 0.763 322 G HN 0.332 nan 8.290 nan 0.000 0.561 323 P HA -0.003 nan 4.420 nan 0.000 0.217 323 P C 2.007 179.288 177.300 -0.033 0.000 1.151 323 P CA 1.835 64.928 63.100 -0.012 0.000 0.828 323 P CB -0.132 31.573 31.700 0.008 0.000 0.788 324 A N 0.044 122.848 122.820 -0.027 0.000 1.969 324 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 324 A C 2.323 179.872 177.584 -0.058 0.000 1.169 324 A CA 1.152 53.174 52.037 -0.024 0.000 0.635 324 A CB -1.357 17.635 19.000 -0.013 0.000 0.810 324 A HN 0.164 nan 8.150 nan 0.000 0.445 325 L N -1.688 119.471 121.223 -0.108 0.000 2.529 325 L HA 0.097 4.437 4.340 -0.000 0.000 0.223 325 L C 2.334 179.027 176.870 -0.295 0.000 1.113 325 L CA 0.354 55.077 54.840 -0.195 0.000 0.861 325 L CB -0.328 41.611 42.059 -0.200 0.000 1.012 325 L HN 0.423 nan 8.230 nan 0.000 0.461 326 R N 1.498 121.853 120.500 -0.242 0.000 2.162 326 R HA -0.213 4.127 4.340 -0.000 0.000 0.245 326 R C -0.451 175.725 176.300 -0.206 0.000 1.129 326 R CA 2.604 58.569 56.100 -0.224 0.000 0.940 326 R CB -1.259 28.967 30.300 -0.122 0.000 0.875 326 R HN 0.206 nan 8.270 nan 0.000 0.437 327 P HA -0.215 nan 4.420 nan 0.000 0.215 327 P C 1.591 178.761 177.300 -0.216 0.000 1.153 327 P CA 1.416 64.444 63.100 -0.120 0.000 0.853 327 P CB -0.205 31.470 31.700 -0.041 0.000 0.788 328 L N -0.768 120.210 121.223 -0.410 0.000 2.027 328 L HA -0.117 4.222 4.340 -0.000 0.000 0.206 328 L C 2.714 179.047 176.870 -0.896 0.000 1.074 328 L CA 1.427 55.795 54.840 -0.786 0.000 0.745 328 L CB -0.592 40.875 42.059 -0.987 0.000 0.898 328 L HN -0.156 nan 8.230 nan 0.000 0.433 329 I N -0.762 119.437 120.570 -0.619 0.000 2.127 329 I HA -0.326 3.844 4.170 -0.000 0.000 0.241 329 I C 2.580 178.594 176.117 -0.172 0.000 1.075 329 I CA 1.443 62.541 61.300 -0.337 0.000 1.334 329 I CB -0.523 37.241 38.000 -0.393 0.000 1.040 329 I HN 0.194 nan 8.210 nan 0.000 0.405 330 S N 1.002 116.599 115.700 -0.172 0.000 2.374 330 S HA -0.267 4.203 4.470 -0.000 0.000 0.227 330 S C 2.281 176.867 174.600 -0.024 0.000 1.037 330 S CA 1.488 59.651 58.200 -0.062 0.000 1.024 330 S CB -0.593 62.571 63.200 -0.060 0.000 0.861 330 S HN 0.576 nan 8.310 nan 0.000 0.456 331 A N 1.822 124.584 122.820 -0.097 0.000 1.859 331 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 331 A C 1.934 179.554 177.584 0.061 0.000 1.198 331 A CA 1.637 53.657 52.037 -0.028 0.000 0.629 331 A CB -1.081 17.883 19.000 -0.060 0.000 0.830 331 A HN 0.622 nan 8.150 nan 0.000 0.446 332 W N -0.029 121.234 121.300 -0.061 0.000 2.332 332 W HA -0.150 4.510 4.660 -0.000 0.000 0.321 332 W C 2.464 178.969 176.519 -0.023 0.000 1.219 332 W CA 1.213 58.482 57.345 -0.127 0.000 1.277 332 W CB -1.564 27.754 29.460 -0.237 0.000 1.161 332 W HN 0.198 nan 8.180 nan 0.000 0.476 333 V N 0.785 120.840 119.914 0.234 0.000 2.250 333 V HA -0.360 3.760 4.120 -0.000 0.000 0.253 333 V C 2.272 178.458 176.094 0.154 0.000 1.065 333 V CA 2.515 64.913 62.300 0.164 0.000 1.039 333 V CB -1.125 30.771 31.823 0.122 0.000 0.647 333 V HN 0.126 nan 8.190 nan 0.000 0.446 334 D N -0.051 120.434 120.400 0.143 0.000 2.097 334 D HA -0.145 4.495 4.640 -0.000 0.000 0.195 334 D C 2.151 178.560 176.300 0.181 0.000 0.989 334 D CA 1.751 55.831 54.000 0.134 0.000 0.827 334 D CB -0.103 40.762 40.800 0.109 0.000 0.966 334 D HN 0.281 nan 8.370 nan 0.000 0.456 335 V N 0.852 120.924 119.914 0.264 0.000 2.277 335 V HA -0.309 3.811 4.120 -0.000 0.000 0.253 335 V C 2.869 179.158 176.094 0.323 0.000 1.067 335 V CA 1.721 64.255 62.300 0.390 0.000 1.047 335 V CB -0.743 31.346 31.823 0.444 0.000 0.649 335 V HN 0.115 nan 8.190 nan 0.000 0.447 336 V N -1.128 118.936 119.914 0.251 0.000 2.287 336 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 336 V C 2.547 178.739 176.094 0.163 0.000 1.053 336 V CA 2.300 64.731 62.300 0.218 0.000 1.027 336 V CB -0.981 30.956 31.823 0.192 0.000 0.646 336 V HN 0.664 nan 8.190 nan 0.000 0.447 337 C N 0.154 119.530 119.300 0.127 0.000 2.401 337 C HA -0.196 4.264 4.460 -0.000 0.000 0.276 337 C C 2.977 178.004 174.990 0.062 0.000 1.233 337 C CA 1.902 60.962 59.018 0.071 0.000 1.753 337 C CB -1.378 26.395 27.740 0.054 0.000 2.029 337 C HN 0.697 nan 8.230 nan 0.000 0.478 338 T N 0.320 114.921 114.554 0.079 0.000 2.770 338 T HA -0.101 4.249 4.350 -0.000 0.000 0.258 338 T C 1.989 176.739 174.700 0.083 0.000 1.039 338 T CA 1.657 63.778 62.100 0.035 0.000 1.143 338 T CB -0.443 68.382 68.868 -0.071 0.000 0.866 338 T HN 0.528 nan 8.240 nan 0.000 0.428 339 S N 2.302 118.106 115.700 0.173 0.000 2.380 339 S HA -0.159 4.311 4.470 -0.000 0.000 0.229 339 S C 2.174 176.860 174.600 0.143 0.000 1.043 339 S CA 1.656 59.984 58.200 0.215 0.000 1.038 339 S CB -0.677 62.700 63.200 0.295 0.000 0.872 339 S HN 0.695 nan 8.310 nan 0.000 0.456 340 I N -0.190 120.448 120.570 0.113 0.000 2.530 340 I HA -0.063 4.107 4.170 -0.000 0.000 0.257 340 I C 1.630 177.774 176.117 0.045 0.000 1.179 340 I CA 1.104 62.446 61.300 0.070 0.000 1.440 340 I CB -0.664 37.365 38.000 0.048 0.000 1.087 340 I HN 0.069 nan 8.210 nan 0.000 0.440 341 L N 0.381 121.633 121.223 0.047 0.000 2.456 341 L HA -0.015 4.325 4.340 -0.000 0.000 0.224 341 L C 2.144 179.038 176.870 0.040 0.000 1.148 341 L CA 1.317 56.175 54.840 0.029 0.000 0.825 341 L CB -0.938 41.133 42.059 0.020 0.000 0.937 341 L HN 0.320 nan 8.230 nan 0.000 0.450 342 S N -1.598 114.143 115.700 0.067 0.000 2.511 342 S HA 0.260 4.730 4.470 -0.000 0.000 0.214 342 S C 0.773 175.406 174.600 0.054 0.000 0.997 342 S CA -0.449 57.798 58.200 0.077 0.000 0.908 342 S CB 0.155 63.432 63.200 0.128 0.000 0.803 342 S HN 0.147 nan 8.310 nan 0.000 0.504 343 L N 4.021 125.268 121.223 0.041 0.000 2.514 343 L HA 0.119 4.459 4.340 -0.000 0.000 0.280 343 L C -1.872 175.002 176.870 0.007 0.000 1.223 343 L CA -1.140 53.712 54.840 0.019 0.000 0.864 343 L CB -0.240 41.821 42.059 0.004 0.000 1.118 343 L HN 0.082 nan 8.230 nan 0.000 0.494 344 P HA 0.062 nan 4.420 nan 0.000 0.271 344 P C -1.051 176.241 177.300 -0.013 0.000 1.216 344 P CA -0.591 62.506 63.100 -0.004 0.000 0.771 344 P CB 0.529 32.226 31.700 -0.005 0.000 0.864 345 E N 1.354 121.545 120.200 -0.014 0.000 2.606 345 E HA 0.118 4.468 4.350 -0.000 0.000 0.248 345 E C -0.015 176.571 176.600 -0.024 0.000 1.005 345 E CA 0.486 56.873 56.400 -0.020 0.000 0.946 345 E CB -0.203 29.486 29.700 -0.020 0.000 0.928 345 E HN 0.306 nan 8.360 nan 0.000 0.494 346 E N 4.139 124.321 120.200 -0.030 0.000 2.460 346 E HA 0.297 4.647 4.350 -0.000 0.000 0.249 346 E C -2.305 174.273 176.600 -0.036 0.000 0.962 346 E CA -2.669 53.712 56.400 -0.032 0.000 0.787 346 E CB 1.056 30.734 29.700 -0.036 0.000 1.341 346 E HN 0.142 nan 8.360 nan 0.000 0.407 347 P HA -0.157 nan 4.420 nan 0.000 0.220 347 P C 0.677 177.954 177.300 -0.037 0.000 1.144 347 P CA 0.887 63.966 63.100 -0.036 0.000 0.800 347 P CB 0.396 32.078 31.700 -0.030 0.000 0.772 348 K N -1.339 119.041 120.400 -0.033 0.000 2.393 348 K HA 0.074 4.394 4.320 -0.000 0.000 0.193 348 K C 0.954 177.534 176.600 -0.034 0.000 1.026 348 K CA -0.024 56.245 56.287 -0.030 0.000 1.064 348 K CB 0.004 32.490 32.500 -0.024 0.000 0.833 348 K HN 0.196 nan 8.250 nan 0.000 0.521 349 R N 1.428 121.901 120.500 -0.045 0.000 2.590 349 R HA 0.088 4.428 4.340 -0.000 0.000 0.274 349 R C -0.462 175.801 176.300 -0.061 0.000 1.061 349 R CA 0.280 56.349 56.100 -0.053 0.000 1.081 349 R CB 0.476 30.739 30.300 -0.062 0.000 0.984 349 R HN -0.088 nan 8.270 nan 0.000 0.448 350 R N 5.057 125.528 120.500 -0.049 0.000 2.680 350 R HA 0.285 4.625 4.340 -0.000 0.000 0.278 350 R C -1.184 175.091 176.300 -0.042 0.000 1.582 350 R CA -0.518 55.542 56.100 -0.065 0.000 1.177 350 R CB 1.166 31.478 30.300 0.019 0.000 1.232 350 R HN 0.469 nan 8.270 nan 0.000 0.528 351 L N 2.550 123.694 121.223 -0.130 0.000 2.329 351 L HA 0.569 4.909 4.340 -0.000 0.000 0.279 351 L C -1.193 175.593 176.870 -0.141 0.000 1.014 351 L CA -0.792 54.027 54.840 -0.035 0.000 0.814 351 L CB 1.496 43.547 42.059 -0.014 0.000 1.257 351 L HN 0.475 nan 8.230 nan 0.000 0.424 352 W N 5.287 126.610 121.300 0.038 0.000 2.520 352 W HA 0.545 5.205 4.660 -0.000 0.000 0.323 352 W C -0.629 175.873 176.519 -0.029 0.000 1.062 352 W CA -0.297 57.027 57.345 -0.034 0.000 1.215 352 W CB 1.431 30.900 29.460 0.015 0.000 1.340 352 W HN 0.197 nan 8.180 nan 0.000 0.516 353 L N 3.997 125.257 121.223 0.062 0.000 2.316 353 L HA 0.500 4.840 4.340 -0.000 0.000 0.280 353 L C -1.482 175.350 176.870 -0.063 0.000 1.006 353 L CA -0.783 54.098 54.840 0.068 0.000 0.836 353 L CB 0.467 42.553 42.059 0.044 0.000 1.221 353 L HN 0.299 nan 8.230 nan 0.000 0.418 354 F N 5.999 126.062 119.950 0.188 0.000 2.313 354 F HA 0.409 4.936 4.527 -0.000 0.000 0.369 354 F C 0.281 176.170 175.800 0.148 0.000 1.109 354 F CA -0.348 57.749 58.000 0.162 0.000 1.132 354 F CB 0.960 40.019 39.000 0.098 0.000 1.291 354 F HN 0.246 nan 8.300 nan 0.000 0.496 355 I N 4.402 125.129 120.570 0.262 0.000 2.347 355 I HA 0.113 4.283 4.170 -0.000 0.000 0.283 355 I C 0.901 177.149 176.117 0.219 0.000 1.058 355 I CA -0.539 60.896 61.300 0.225 0.000 1.202 355 I CB 0.773 38.877 38.000 0.172 0.000 1.386 355 I HN 0.532 nan 8.210 nan 0.000 0.475 356 D N 4.573 125.120 120.400 0.245 0.000 2.154 356 D HA -0.273 4.367 4.640 -0.000 0.000 0.190 356 D C 0.541 176.931 176.300 0.151 0.000 1.003 356 D CA 1.773 55.893 54.000 0.200 0.000 0.849 356 D CB 0.311 41.227 40.800 0.194 0.000 0.942 356 D HN 0.458 nan 8.370 nan 0.000 0.446 357 E N -1.081 119.213 120.200 0.158 0.000 2.580 357 E HA 0.257 4.607 4.350 -0.000 0.000 0.248 357 E C 0.440 177.105 176.600 0.109 0.000 1.018 357 E CA -0.442 56.026 56.400 0.115 0.000 0.775 357 E CB 0.801 30.572 29.700 0.119 0.000 1.378 357 E HN 0.036 nan 8.360 nan 0.000 0.401 358 L N 3.409 124.679 121.223 0.078 0.000 2.021 358 L HA -0.193 4.147 4.340 -0.000 0.000 0.215 358 L C 1.847 178.783 176.870 0.109 0.000 1.074 358 L CA 2.724 57.611 54.840 0.079 0.000 0.760 358 L CB -0.305 41.760 42.059 0.011 0.000 0.889 358 L HN 0.641 nan 8.230 nan 0.000 0.433 359 A N -2.307 120.566 122.820 0.088 0.000 2.178 359 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 359 A C 2.320 179.974 177.584 0.117 0.000 1.157 359 A CA 1.616 53.724 52.037 0.119 0.000 0.689 359 A CB -0.596 18.451 19.000 0.079 0.000 0.787 359 A HN 0.521 nan 8.150 nan 0.000 0.465 360 S N -0.582 115.181 115.700 0.105 0.000 2.470 360 S HA 0.204 4.674 4.470 -0.000 0.000 0.225 360 S C 0.850 175.481 174.600 0.053 0.000 1.006 360 S CA 0.049 58.301 58.200 0.086 0.000 0.934 360 S CB -0.253 63.016 63.200 0.115 0.000 0.778 360 S HN 0.503 nan 8.310 nan 0.000 0.517 361 L N 1.142 122.409 121.223 0.072 0.000 2.543 361 L HA 0.328 4.668 4.340 -0.000 0.000 0.231 361 L C 1.034 177.925 176.870 0.035 0.000 1.194 361 L CA -0.628 54.233 54.840 0.035 0.000 0.823 361 L CB 0.219 42.321 42.059 0.072 0.000 1.374 361 L HN 0.130 nan 8.230 nan 0.000 0.507 362 E N 0.052 120.246 120.200 -0.010 0.000 2.869 362 E HA 0.087 4.437 4.350 -0.000 0.000 0.258 362 E C -0.497 176.011 176.600 -0.152 0.000 1.354 362 E CA -0.660 55.700 56.400 -0.067 0.000 1.065 362 E CB 0.484 30.142 29.700 -0.070 0.000 1.215 362 E HN 0.275 nan 8.360 nan 0.000 0.659 363 K N 1.865 122.071 120.400 -0.323 0.000 2.083 363 K HA 0.109 4.429 4.320 -0.000 0.000 0.246 363 K C -0.304 176.116 176.600 -0.299 0.000 1.160 363 K CA -0.119 55.755 56.287 -0.689 0.000 1.060 363 K CB -0.705 31.442 32.500 -0.588 0.000 1.417 363 K HN 0.300 nan 8.250 nan 0.000 0.329 364 L N 2.925 124.116 121.223 -0.054 0.000 2.578 364 L HA -0.109 4.231 4.340 -0.000 0.000 0.279 364 L C 1.431 178.345 176.870 0.073 0.000 1.227 364 L CA -0.130 54.759 54.840 0.081 0.000 0.900 364 L CB 0.581 42.752 42.059 0.188 0.000 1.144 364 L HN 0.700 nan 8.230 nan 0.000 0.496 365 A N 2.100 124.941 122.820 0.035 0.000 2.123 365 A HA -0.017 4.303 4.320 -0.000 0.000 0.214 365 A C 1.901 179.505 177.584 0.032 0.000 1.152 365 A CA 1.076 53.127 52.037 0.023 0.000 0.728 365 A CB -0.028 18.971 19.000 -0.002 0.000 0.814 365 A HN 0.788 nan 8.150 nan 0.000 0.464 366 S N -0.762 114.963 115.700 0.042 0.000 2.520 366 S HA 0.188 4.658 4.470 -0.000 0.000 0.219 366 S C 1.577 176.189 174.600 0.019 0.000 1.028 366 S CA 0.022 58.236 58.200 0.024 0.000 0.921 366 S CB -0.255 62.957 63.200 0.019 0.000 0.844 366 S HN 0.427 nan 8.310 nan 0.000 0.495 367 L N 2.014 123.264 121.223 0.044 0.000 2.030 367 L HA -0.330 4.010 4.340 -0.000 0.000 0.222 367 L C 2.711 179.552 176.870 -0.048 0.000 1.082 367 L CA 1.986 56.833 54.840 0.010 0.000 0.785 367 L CB -0.833 41.266 42.059 0.067 0.000 0.895 367 L HN 0.429 nan 8.230 nan 0.000 0.439 368 A N -0.029 122.786 122.820 -0.009 0.000 1.859 368 A HA -0.345 3.975 4.320 -0.000 0.000 0.218 368 A C 1.880 179.425 177.584 -0.065 0.000 1.242 368 A CA 2.440 54.456 52.037 -0.035 0.000 0.661 368 A CB -1.148 17.858 19.000 0.009 0.000 0.842 368 A HN 0.600 nan 8.150 nan 0.000 0.455 369 D N -0.244 120.132 120.400 -0.041 0.000 2.182 369 D HA -0.090 4.550 4.640 -0.000 0.000 0.201 369 D C 2.223 178.486 176.300 -0.062 0.000 0.986 369 D CA 1.438 55.411 54.000 -0.044 0.000 0.847 369 D CB -0.388 40.394 40.800 -0.030 0.000 0.942 369 D HN 0.484 nan 8.370 nan 0.000 0.467 370 A N 1.175 123.951 122.820 -0.073 0.000 1.908 370 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 370 A C 2.308 179.794 177.584 -0.163 0.000 1.181 370 A CA 0.972 52.953 52.037 -0.093 0.000 0.627 370 A CB -0.834 18.114 19.000 -0.088 0.000 0.818 370 A HN 0.220 nan 8.150 nan 0.000 0.445 371 L N -0.739 120.326 121.223 -0.263 0.000 2.622 371 L HA -0.038 4.302 4.340 -0.000 0.000 0.233 371 L C 1.729 178.534 176.870 -0.110 0.000 1.156 371 L CA 1.137 55.720 54.840 -0.429 0.000 0.866 371 L CB -0.125 41.592 42.059 -0.571 0.000 0.980 371 L HN 0.361 nan 8.230 nan 0.000 0.448 372 T N -2.199 112.312 114.554 -0.072 0.000 2.954 372 T HA 0.092 4.442 4.350 -0.000 0.000 0.252 372 T C 1.369 176.054 174.700 -0.024 0.000 0.983 372 T CA 0.116 62.197 62.100 -0.032 0.000 0.941 372 T CB 0.517 69.359 68.868 -0.043 0.000 1.141 372 T HN 0.191 nan 8.240 nan 0.000 0.500 373 K N 0.719 121.102 120.400 -0.029 0.000 2.438 373 K HA 0.304 4.624 4.320 -0.000 0.000 0.206 373 K C 1.674 178.258 176.600 -0.027 0.000 1.081 373 K CA -0.053 56.217 56.287 -0.028 0.000 1.053 373 K CB 0.913 33.396 32.500 -0.029 0.000 0.908 373 K HN 0.155 nan 8.250 nan 0.000 0.556 374 G N 1.463 110.251 108.800 -0.021 0.000 3.026 374 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.208 374 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.208 374 G C 1.328 176.205 174.900 -0.038 0.000 1.169 374 G CA -0.126 44.960 45.100 -0.024 0.000 0.788 374 G HN 0.037 nan 8.290 nan 0.000 0.533 375 R N 1.112 121.584 120.500 -0.047 0.000 2.081 375 R HA -0.000 4.340 4.340 -0.000 0.000 0.235 375 R C 2.056 178.310 176.300 -0.076 0.000 1.131 375 R CA 1.343 57.393 56.100 -0.082 0.000 0.960 375 R CB -0.373 29.877 30.300 -0.084 0.000 0.856 375 R HN 0.275 nan 8.270 nan 0.000 0.436 376 K N -0.270 120.096 120.400 -0.056 0.000 2.147 376 K HA -0.039 4.281 4.320 -0.000 0.000 0.205 376 K C 1.872 178.442 176.600 -0.050 0.000 1.049 376 K CA 1.262 57.519 56.287 -0.050 0.000 0.936 376 K CB -0.037 32.441 32.500 -0.038 0.000 0.722 376 K HN 0.233 nan 8.250 nan 0.000 0.446 377 A N -0.045 122.746 122.820 -0.048 0.000 2.119 377 A HA 0.092 4.412 4.320 -0.000 0.000 0.216 377 A C 1.360 178.902 177.584 -0.069 0.000 1.152 377 A CA 1.164 53.172 52.037 -0.047 0.000 0.708 377 A CB -0.231 18.750 19.000 -0.032 0.000 0.805 377 A HN 0.437 nan 8.150 nan 0.000 0.460 378 G N -1.411 107.335 108.800 -0.091 0.000 2.132 378 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.228 378 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.228 378 G C 0.094 174.885 174.900 -0.182 0.000 1.000 378 G CA 0.177 45.197 45.100 -0.133 0.000 0.693 378 G HN 0.615 nan 8.290 nan 0.000 0.515 379 L N 0.184 121.325 121.223 -0.137 0.000 2.416 379 L HA 0.578 4.918 4.340 -0.000 0.000 0.272 379 L C 0.564 177.313 176.870 -0.202 0.000 1.161 379 L CA -0.269 54.488 54.840 -0.139 0.000 0.845 379 L CB 0.373 42.399 42.059 -0.055 0.000 1.119 379 L HN 0.266 nan 8.230 nan 0.000 0.464 380 R N 4.077 124.366 120.500 -0.351 0.000 2.468 380 R HA 0.417 4.757 4.340 -0.000 0.000 0.302 380 R C -1.258 174.916 176.300 -0.210 0.000 1.041 380 R CA -0.646 55.149 56.100 -0.508 0.000 0.899 380 R CB 1.873 31.244 30.300 -1.548 0.000 1.167 380 R HN 0.361 nan 8.270 nan 0.000 0.483 381 V N 3.385 123.370 119.914 0.118 0.000 2.539 381 V HA 0.452 4.572 4.120 -0.000 0.000 0.292 381 V C -0.021 176.204 176.094 0.219 0.000 1.045 381 V CA -0.668 61.649 62.300 0.029 0.000 0.945 381 V CB 1.938 33.617 31.823 -0.240 0.000 0.993 381 V HN 0.380 nan 8.190 nan 0.000 0.464 382 V N 3.377 123.366 119.914 0.126 0.000 2.524 382 V HA 0.818 4.938 4.120 -0.000 0.000 0.297 382 V C -0.002 176.188 176.094 0.160 0.000 1.035 382 V CA -0.329 62.070 62.300 0.164 0.000 0.867 382 V CB 1.518 33.318 31.823 -0.039 0.000 1.004 382 V HN 1.065 nan 8.190 nan 0.000 0.426 383 A N 3.359 126.235 122.820 0.094 0.000 2.413 383 A HA 1.013 5.333 4.320 -0.000 0.000 0.307 383 A C 0.019 177.555 177.584 -0.081 0.000 1.087 383 A CA -0.226 51.813 52.037 0.003 0.000 0.750 383 A CB 2.021 20.990 19.000 -0.052 0.000 1.296 383 A HN 1.108 nan 8.150 nan 0.000 0.423 384 G N -0.119 108.672 108.800 -0.014 0.000 2.453 384 G HA2 0.615 4.575 3.960 -0.000 0.000 0.323 384 G HA3 0.615 4.575 3.960 -0.000 0.000 0.323 384 G C -1.500 173.379 174.900 -0.035 0.000 1.198 384 G CA -0.342 44.747 45.100 -0.018 0.000 0.959 384 G HN 0.499 nan 8.290 nan 0.000 0.482 385 L N -0.137 121.060 121.223 -0.043 0.000 2.415 385 L HA 0.523 4.863 4.340 -0.000 0.000 0.256 385 L C 0.662 177.525 176.870 -0.012 0.000 1.010 385 L CA -0.619 54.200 54.840 -0.034 0.000 0.826 385 L CB 1.911 43.927 42.059 -0.072 0.000 1.405 385 L HN 0.749 nan 8.230 nan 0.000 0.410 386 Q N -0.215 119.585 119.800 -0.000 0.000 2.596 386 Q HA 0.340 4.680 4.340 -0.000 0.000 0.190 386 Q C -0.420 175.581 176.000 0.003 0.000 0.905 386 Q CA 0.065 55.872 55.803 0.007 0.000 0.846 386 Q CB 1.035 29.783 28.738 0.017 0.000 1.117 386 Q HN 0.674 nan 8.270 nan 0.000 0.630 387 S N 0.522 116.226 115.700 0.007 0.000 2.475 387 S HA 0.145 4.615 4.470 -0.000 0.000 0.298 387 S C 0.703 175.305 174.600 0.004 0.000 1.119 387 S CA -0.075 58.129 58.200 0.006 0.000 1.085 387 S CB 1.696 64.902 63.200 0.011 0.000 1.028 387 S HN 0.567 nan 8.310 nan 0.000 0.489 388 T N -0.325 114.229 114.554 -0.001 0.000 2.929 388 T HA -0.128 4.222 4.350 -0.000 0.000 0.271 388 T C 1.831 176.537 174.700 0.010 0.000 1.085 388 T CA 1.322 63.421 62.100 -0.001 0.000 1.125 388 T CB -0.471 68.394 68.868 -0.004 0.000 0.874 388 T HN 0.582 nan 8.240 nan 0.000 0.494 389 S N 1.587 117.295 115.700 0.013 0.000 2.428 389 S HA -0.127 4.342 4.470 -0.000 0.000 0.230 389 S C 2.064 176.682 174.600 0.030 0.000 1.014 389 S CA 0.440 58.651 58.200 0.020 0.000 0.957 389 S CB -0.490 62.719 63.200 0.016 0.000 0.784 389 S HN 0.653 nan 8.310 nan 0.000 0.499 390 Q N 0.972 120.791 119.800 0.031 0.000 1.917 390 Q HA -0.026 4.314 4.340 -0.000 0.000 0.205 390 Q C 2.251 178.292 176.000 0.068 0.000 0.988 390 Q CA 1.488 57.318 55.803 0.045 0.000 0.851 390 Q CB -0.584 28.179 28.738 0.042 0.000 0.916 390 Q HN 0.428 nan 8.270 nan 0.000 0.424 391 L N 1.526 122.786 121.223 0.062 0.000 2.051 391 L HA -0.264 4.076 4.340 -0.000 0.000 0.214 391 L C 1.492 178.439 176.870 0.130 0.000 1.076 391 L CA 2.045 56.939 54.840 0.090 0.000 0.758 391 L CB -0.503 41.556 42.059 0.001 0.000 0.890 391 L HN 0.182 nan 8.230 nan 0.000 0.433 392 D N -0.641 119.805 120.400 0.077 0.000 2.092 392 D HA -0.231 4.409 4.640 -0.000 0.000 0.193 392 D C 1.900 178.249 176.300 0.082 0.000 0.994 392 D CA 1.616 55.660 54.000 0.073 0.000 0.828 392 D CB -0.268 40.557 40.800 0.042 0.000 0.963 392 D HN 0.457 nan 8.370 nan 0.000 0.450 393 D N -0.629 119.810 120.400 0.064 0.000 2.149 393 D HA -0.118 4.522 4.640 -0.000 0.000 0.198 393 D C 1.927 178.255 176.300 0.046 0.000 0.990 393 D CA 0.651 54.678 54.000 0.045 0.000 0.839 393 D CB 0.109 40.930 40.800 0.034 0.000 0.948 393 D HN 0.026 nan 8.370 nan 0.000 0.460 394 V N -0.558 119.409 119.914 0.088 0.000 2.283 394 V HA -0.191 3.929 4.120 -0.000 0.000 0.243 394 V C 1.584 177.653 176.094 -0.042 0.000 1.039 394 V CA 1.394 63.723 62.300 0.048 0.000 1.016 394 V CB -0.583 31.327 31.823 0.146 0.000 0.650 394 V HN 0.250 nan 8.190 nan 0.000 0.449 395 Y N 0.388 120.689 120.300 0.003 0.000 2.457 395 Y HA 0.515 5.065 4.550 -0.000 0.000 0.263 395 Y C 1.310 177.208 175.900 -0.004 0.000 1.164 395 Y CA 0.283 58.384 58.100 0.002 0.000 1.274 395 Y CB -0.014 38.453 38.460 0.012 0.000 1.097 395 Y HN 0.360 nan 8.280 nan 0.000 0.523 396 G N -0.429 108.439 108.800 0.113 0.000 2.705 396 G HA2 -0.184 3.775 3.960 -0.000 0.000 0.686 396 G HA3 -0.184 3.775 3.960 -0.000 0.000 0.686 396 G C 0.469 175.413 174.900 0.075 0.000 1.285 396 G CA -0.445 44.692 45.100 0.063 0.000 0.800 396 G HN -0.008 nan 8.290 nan 0.000 0.611 397 V N 2.371 122.312 119.914 0.044 0.000 2.295 397 V HA -0.186 3.934 4.120 -0.000 0.000 0.246 397 V C 3.011 179.126 176.094 0.036 0.000 1.049 397 V CA 2.577 64.899 62.300 0.037 0.000 1.024 397 V CB -0.573 31.263 31.823 0.022 0.000 0.648 397 V HN 0.764 nan 8.190 nan 0.000 0.447 398 K N 0.196 120.615 120.400 0.031 0.000 1.991 398 K HA -0.227 4.093 4.320 -0.000 0.000 0.212 398 K C 2.179 178.802 176.600 0.039 0.000 1.049 398 K CA 1.890 58.193 56.287 0.027 0.000 0.932 398 K CB -0.496 32.015 32.500 0.019 0.000 0.717 398 K HN 0.528 nan 8.250 nan 0.000 0.441 399 E N 0.280 120.516 120.200 0.060 0.000 2.085 399 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 399 E C 1.924 178.573 176.600 0.082 0.000 0.994 399 E CA 1.339 57.793 56.400 0.090 0.000 0.801 399 E CB -0.089 29.698 29.700 0.144 0.000 0.743 399 E HN 0.360 nan 8.360 nan 0.000 0.453 400 A N 0.799 123.670 122.820 0.086 0.000 1.883 400 A HA -0.317 4.003 4.320 -0.000 0.000 0.217 400 A C 2.129 179.712 177.584 -0.003 0.000 1.186 400 A CA 1.899 53.950 52.037 0.024 0.000 0.624 400 A CB -0.691 18.339 19.000 0.050 0.000 0.822 400 A HN 0.340 nan 8.150 nan 0.000 0.444 401 Q N -0.653 119.157 119.800 0.016 0.000 2.030 401 Q HA -0.203 4.137 4.340 -0.000 0.000 0.204 401 Q C 2.093 178.103 176.000 0.017 0.000 0.986 401 Q CA 2.572 58.383 55.803 0.014 0.000 0.843 401 Q CB -0.450 28.298 28.738 0.016 0.000 0.904 401 Q HN 0.632 nan 8.270 nan 0.000 0.420 402 T N 1.990 116.555 114.554 0.018 0.000 2.607 402 T HA -0.215 4.134 4.350 -0.000 0.000 0.267 402 T C 1.789 176.498 174.700 0.016 0.000 1.049 402 T CA 1.438 63.548 62.100 0.017 0.000 1.162 402 T CB -0.560 68.318 68.868 0.017 0.000 0.863 402 T HN 0.237 nan 8.240 nan 0.000 0.424 403 L N 1.338 122.559 121.223 -0.003 0.000 1.971 403 L HA -0.122 4.218 4.340 -0.000 0.000 0.215 403 L C 2.574 179.504 176.870 0.100 0.000 1.072 403 L CA 1.810 56.642 54.840 -0.014 0.000 0.758 403 L CB -0.705 41.264 42.059 -0.150 0.000 0.889 403 L HN 0.123 nan 8.230 nan 0.000 0.433 404 R N -0.906 119.640 120.500 0.076 0.000 2.103 404 R HA -0.198 4.142 4.340 -0.000 0.000 0.242 404 R C 2.177 178.591 176.300 0.190 0.000 1.142 404 R CA 1.486 57.662 56.100 0.126 0.000 0.960 404 R CB -0.706 29.607 30.300 0.022 0.000 0.858 404 R HN 0.578 nan 8.270 nan 0.000 0.439 405 A N 0.437 123.322 122.820 0.107 0.000 2.032 405 A HA -0.171 4.149 4.320 -0.000 0.000 0.221 405 A C 2.078 179.728 177.584 0.109 0.000 1.165 405 A CA 1.834 53.925 52.037 0.091 0.000 0.645 405 A CB -0.369 18.660 19.000 0.048 0.000 0.807 405 A HN 0.275 nan 8.150 nan 0.000 0.453 406 S N -0.987 114.772 115.700 0.099 0.000 2.474 406 S HA 0.060 4.530 4.470 -0.000 0.000 0.235 406 S C -0.046 174.548 174.600 -0.010 0.000 0.997 406 S CA 0.318 58.518 58.200 -0.001 0.000 0.949 406 S CB -0.336 62.784 63.200 -0.133 0.000 0.766 406 S HN 0.453 nan 8.310 nan 0.000 0.517 407 F N 1.940 121.930 119.950 0.068 0.000 2.411 407 F HA 0.403 4.930 4.527 -0.000 0.000 0.355 407 F C 1.377 177.221 175.800 0.074 0.000 1.117 407 F CA -0.976 57.091 58.000 0.111 0.000 1.139 407 F CB 0.787 39.840 39.000 0.088 0.000 1.120 407 F HN -0.207 nan 8.300 nan 0.000 0.493 408 R N 0.587 121.211 120.500 0.207 0.000 2.161 408 R HA 0.097 4.437 4.340 -0.000 0.000 0.213 408 R C 0.074 176.469 176.300 0.157 0.000 1.055 408 R CA 0.271 56.451 56.100 0.133 0.000 0.996 408 R CB -0.380 29.954 30.300 0.057 0.000 0.901 408 R HN 0.403 nan 8.270 nan 0.000 0.456 409 S N 1.339 117.163 115.700 0.208 0.000 2.475 409 S HA 0.536 5.005 4.470 -0.000 0.000 0.298 409 S C -0.535 174.171 174.600 0.177 0.000 1.119 409 S CA -0.766 57.568 58.200 0.223 0.000 1.085 409 S CB 1.896 65.287 63.200 0.319 0.000 1.028 409 S HN 0.116 nan 8.310 nan 0.000 0.489 410 L N 2.933 124.218 121.223 0.102 0.000 2.388 410 L HA 0.847 5.187 4.340 -0.000 0.000 0.264 410 L C -1.622 175.250 176.870 0.004 0.000 0.998 410 L CA -0.549 54.318 54.840 0.045 0.000 0.817 410 L CB 1.934 44.010 42.059 0.028 0.000 1.338 410 L HN 0.452 nan 8.230 nan 0.000 0.414 411 V N 4.528 124.445 119.914 0.005 0.000 2.525 411 V HA 0.526 4.646 4.120 -0.000 0.000 0.299 411 V C -0.741 175.369 176.094 0.027 0.000 1.034 411 V CA -0.619 61.684 62.300 0.005 0.000 0.863 411 V CB 1.941 33.769 31.823 0.008 0.000 0.999 411 V HN 0.573 nan 8.190 nan 0.000 0.423 412 V N 6.510 126.464 119.914 0.067 0.000 2.370 412 V HA 0.356 4.476 4.120 -0.000 0.000 0.283 412 V C 0.650 176.815 176.094 0.118 0.000 1.023 412 V CA -0.107 62.243 62.300 0.084 0.000 0.857 412 V CB 1.675 33.549 31.823 0.084 0.000 0.985 412 V HN 0.773 nan 8.190 nan 0.000 0.443 413 L N 3.926 125.193 121.223 0.074 0.000 2.585 413 L HA 0.457 4.797 4.340 -0.000 0.000 0.226 413 L C 1.047 177.958 176.870 0.069 0.000 1.113 413 L CA 0.685 55.562 54.840 0.062 0.000 0.876 413 L CB 0.101 42.183 42.059 0.038 0.000 1.072 413 L HN 0.984 nan 8.230 nan 0.000 0.468 414 G N -0.310 108.538 108.800 0.080 0.000 3.019 414 G HA2 0.047 4.007 3.960 -0.000 0.000 0.686 414 G HA3 0.047 4.007 3.960 -0.000 0.000 0.686 414 G C -0.279 174.645 174.900 0.041 0.000 1.056 414 G CA -0.502 44.640 45.100 0.069 0.000 0.774 414 G HN 0.373 nan 8.290 nan 0.000 0.583 415 G N -0.334 108.485 108.800 0.031 0.000 3.251 415 G HA2 0.884 4.844 3.960 -0.000 0.000 0.248 415 G HA3 0.884 4.844 3.960 -0.000 0.000 0.248 415 G C 0.190 175.101 174.900 0.018 0.000 1.320 415 G CA 0.577 45.690 45.100 0.021 0.000 0.982 415 G HN 1.767 nan 8.290 nan 0.000 0.575 416 S N -1.204 114.504 115.700 0.013 0.000 2.565 416 S HA 0.174 4.644 4.470 -0.000 0.000 0.276 416 S C 1.759 176.364 174.600 0.009 0.000 1.326 416 S CA -0.289 57.918 58.200 0.011 0.000 1.045 416 S CB 0.667 63.873 63.200 0.010 0.000 0.918 416 S HN 0.617 nan 8.310 nan 0.000 0.505 417 R N 1.861 122.366 120.500 0.008 0.000 2.316 417 R HA -0.009 4.331 4.340 -0.000 0.000 0.202 417 R C 1.527 177.830 176.300 0.005 0.000 1.029 417 R CA 1.363 57.467 56.100 0.006 0.000 1.018 417 R CB -1.079 29.224 30.300 0.006 0.000 0.888 417 R HN 0.664 nan 8.270 nan 0.000 0.471 418 T N -2.247 112.311 114.554 0.006 0.000 3.148 418 T HA -0.045 4.304 4.350 -0.000 0.000 0.253 418 T C 0.196 174.899 174.700 0.005 0.000 1.134 418 T CA 0.306 62.409 62.100 0.005 0.000 1.051 418 T CB 0.131 69.002 68.868 0.006 0.000 0.959 418 T HN 0.198 nan 8.240 nan 0.000 0.525 419 D N 1.635 122.038 120.400 0.005 0.000 2.613 419 D HA 0.292 4.932 4.640 -0.000 0.000 0.312 419 D C -1.525 174.776 176.300 0.001 0.000 1.202 419 D CA -2.328 51.674 54.000 0.004 0.000 0.825 419 D CB 1.398 42.201 40.800 0.005 0.000 1.113 419 D HN 0.039 nan 8.370 nan 0.000 0.502 420 P HA -0.167 nan 4.420 nan 0.000 0.218 420 P C 1.299 178.596 177.300 -0.005 0.000 1.149 420 P CA 0.756 63.854 63.100 -0.003 0.000 0.817 420 P CB 0.668 32.366 31.700 -0.002 0.000 0.785 421 K N -0.311 120.088 120.400 -0.003 0.000 2.001 421 K HA -0.112 4.208 4.320 -0.000 0.000 0.214 421 K C 2.302 178.898 176.600 -0.006 0.000 1.050 421 K CA 2.363 58.648 56.287 -0.004 0.000 0.934 421 K CB -0.869 31.630 32.500 -0.001 0.000 0.718 421 K HN 0.112 nan 8.250 nan 0.000 0.443 422 T N 1.446 115.997 114.554 -0.005 0.000 2.746 422 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 422 T C 1.555 176.248 174.700 -0.012 0.000 1.039 422 T CA 1.218 63.314 62.100 -0.007 0.000 1.142 422 T CB -0.306 68.559 68.868 -0.004 0.000 0.866 422 T HN 0.223 nan 8.240 nan 0.000 0.444 423 N N 0.924 119.617 118.700 -0.011 0.000 2.094 423 N HA -0.148 4.592 4.740 -0.000 0.000 0.191 423 N C 1.981 177.475 175.510 -0.026 0.000 1.023 423 N CA 1.392 54.432 53.050 -0.016 0.000 0.857 423 N CB -0.352 38.128 38.487 -0.011 0.000 1.013 423 N HN 0.448 nan 8.380 nan 0.000 0.426 424 E N 1.549 121.736 120.200 -0.021 0.000 2.051 424 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 424 E C 1.160 177.743 176.600 -0.027 0.000 0.991 424 E CA 1.442 57.827 56.400 -0.024 0.000 0.799 424 E CB -0.269 29.421 29.700 -0.017 0.000 0.748 424 E HN 0.208 nan 8.360 nan 0.000 0.449 425 D N -0.213 120.174 120.400 -0.022 0.000 2.116 425 D HA -0.197 4.443 4.640 -0.000 0.000 0.193 425 D C 1.900 178.183 176.300 -0.029 0.000 0.998 425 D CA 1.368 55.355 54.000 -0.021 0.000 0.836 425 D CB -0.236 40.554 40.800 -0.016 0.000 0.951 425 D HN 0.276 nan 8.370 nan 0.000 0.449 426 M N 0.517 120.097 119.600 -0.034 0.000 2.086 426 M HA -0.104 4.376 4.480 -0.000 0.000 0.261 426 M C 2.424 178.682 176.300 -0.069 0.000 1.067 426 M CA 0.833 56.106 55.300 -0.045 0.000 1.116 426 M CB -1.274 31.302 32.600 -0.041 0.000 1.348 426 M HN -0.031 nan 8.290 nan 0.000 0.407 427 S N 0.749 116.404 115.700 -0.076 0.000 2.365 427 S HA -0.152 4.318 4.470 -0.000 0.000 0.225 427 S C 2.022 176.573 174.600 -0.081 0.000 1.039 427 S CA 1.157 59.299 58.200 -0.097 0.000 1.033 427 S CB -0.297 62.857 63.200 -0.077 0.000 0.887 427 S HN 0.478 nan 8.310 nan 0.000 0.447 428 L N 0.809 121.999 121.223 -0.055 0.000 2.046 428 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 428 L C 2.536 179.383 176.870 -0.039 0.000 1.077 428 L CA 1.707 56.521 54.840 -0.043 0.000 0.747 428 L CB -0.647 41.394 42.059 -0.030 0.000 0.896 428 L HN 0.378 nan 8.230 nan 0.000 0.432 429 S N -0.133 115.546 115.700 -0.036 0.000 2.399 429 S HA -0.149 4.321 4.470 -0.000 0.000 0.231 429 S C 1.750 176.331 174.600 -0.032 0.000 1.022 429 S CA 0.819 59.004 58.200 -0.025 0.000 0.983 429 S CB -0.145 63.042 63.200 -0.021 0.000 0.803 429 S HN 0.204 nan 8.310 nan 0.000 0.480 430 L N 0.829 122.016 121.223 -0.060 0.000 2.093 430 L HA 0.163 4.503 4.340 -0.000 0.000 0.208 430 L C 1.420 178.256 176.870 -0.057 0.000 1.085 430 L CA 1.626 56.422 54.840 -0.075 0.000 0.755 430 L CB -1.644 40.323 42.059 -0.154 0.000 0.904 430 L HN 0.489 nan 8.230 nan 0.000 0.435 431 G N -0.898 107.865 108.800 -0.061 0.000 2.612 431 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.686 431 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.686 431 G C -0.461 174.392 174.900 -0.079 0.000 1.274 431 G CA -0.620 44.451 45.100 -0.049 0.000 0.849 431 G HN 0.151 nan 8.290 nan 0.000 0.595 432 E N -0.427 119.735 120.200 -0.063 0.000 2.285 432 E HA 0.709 5.059 4.350 -0.000 0.000 0.254 432 E C 0.227 176.803 176.600 -0.040 0.000 1.011 432 E CA -0.566 55.780 56.400 -0.090 0.000 0.873 432 E CB 1.521 31.189 29.700 -0.053 0.000 1.229 432 E HN 0.838 nan 8.360 nan 0.000 0.422 433 H N -1.703 117.264 119.070 -0.172 0.000 3.016 433 H HA 0.484 5.040 4.556 -0.000 0.000 0.362 433 H C -1.298 173.808 175.328 -0.371 0.000 1.233 433 H CA -0.994 54.879 56.048 -0.292 0.000 1.124 433 H CB 1.852 31.416 29.762 -0.329 0.000 1.850 433 H HN 0.366 nan 8.280 nan 0.000 0.549 434 E N 2.488 122.410 120.200 -0.463 0.000 2.114 434 E HA 0.423 4.772 4.350 -0.000 0.000 0.266 434 E C -1.473 174.684 176.600 -0.738 0.000 0.896 434 E CA -0.769 55.355 56.400 -0.460 0.000 0.750 434 E CB 1.952 31.463 29.700 -0.314 0.000 1.121 434 E HN 0.397 nan 8.360 nan 0.000 0.413 435 V N 3.498 123.000 119.914 -0.687 0.000 3.046 435 V HA 0.358 4.478 4.120 -0.000 0.000 0.316 435 V C -0.666 175.253 176.094 -0.291 0.000 1.104 435 V CA -0.736 61.157 62.300 -0.677 0.000 1.006 435 V CB 2.223 33.349 31.823 -1.161 0.000 1.058 435 V HN 0.693 nan 8.190 nan 0.000 0.440 436 E N 2.391 122.512 120.200 -0.132 0.000 2.145 436 E HA 0.586 4.936 4.350 -0.000 0.000 0.270 436 E C -0.712 175.936 176.600 0.081 0.000 0.906 436 E CA -0.463 55.929 56.400 -0.013 0.000 0.761 436 E CB 1.116 30.820 29.700 0.008 0.000 1.116 436 E HN 0.504 nan 8.360 nan 0.000 0.408 456 R N 0.935 121.418 120.500 -0.027 0.000 2.732 456 R HA 0.827 5.167 4.340 -0.000 0.000 0.278 456 R C -0.836 175.431 176.300 -0.056 0.000 0.976 456 R CA -1.227 54.838 56.100 -0.059 0.000 0.963 456 R CB 1.677 31.936 30.300 -0.070 0.000 1.150 456 R HN 0.424 nan 8.270 nan 0.000 0.478 457 V N 1.532 121.394 119.914 -0.088 0.000 2.851 457 V HA 0.448 4.568 4.120 -0.000 0.000 0.307 457 V C -0.384 175.660 176.094 -0.084 0.000 1.129 457 V CA -0.894 61.372 62.300 -0.058 0.000 0.932 457 V CB 2.964 34.780 31.823 -0.012 0.000 1.024 457 V HN 0.576 nan 8.190 nan 0.000 0.426 458 R N 3.119 123.595 120.500 -0.041 0.000 2.265 458 R HA 0.646 4.986 4.340 -0.000 0.000 0.328 458 R C -0.751 175.563 176.300 0.022 0.000 0.969 458 R CA -0.303 55.782 56.100 -0.025 0.000 0.832 458 R CB 1.255 31.531 30.300 -0.040 0.000 1.139 458 R HN 0.961 nan 8.270 nan 0.000 0.457 459 E N 3.198 123.445 120.200 0.079 0.000 2.408 459 E HA 0.416 4.766 4.350 -0.000 0.000 0.275 459 E C -0.978 175.556 176.600 -0.110 0.000 0.935 459 E CA -1.281 55.132 56.400 0.021 0.000 0.775 459 E CB 1.377 31.134 29.700 0.096 0.000 1.277 459 E HN 0.119 nan 8.360 nan 0.000 0.455 460 R N 1.146 121.592 120.500 -0.089 0.000 2.449 460 R HA 0.088 4.428 4.340 -0.000 0.000 0.296 460 R C 0.931 177.123 176.300 -0.180 0.000 1.047 460 R CA -0.082 55.942 56.100 -0.126 0.000 1.018 460 R CB 0.734 30.990 30.300 -0.074 0.000 0.962 460 R HN 0.521 nan 8.270 nan 0.000 0.428 461 V N 3.017 122.770 119.914 -0.268 0.000 2.343 461 V HA -0.146 3.974 4.120 -0.000 0.000 0.247 461 V C 1.013 177.090 176.094 -0.029 0.000 1.051 461 V CA 1.489 63.650 62.300 -0.232 0.000 1.036 461 V CB -0.042 31.665 31.823 -0.193 0.000 0.654 461 V HN 0.402 nan 8.190 nan 0.000 0.451 462 V N 0.680 120.519 119.914 -0.126 0.000 2.483 462 V HA 0.375 4.495 4.120 -0.000 0.000 0.297 462 V C -0.132 175.880 176.094 -0.136 0.000 1.027 462 V CA -0.521 61.672 62.300 -0.178 0.000 0.855 462 V CB 1.664 33.193 31.823 -0.490 0.000 0.995 462 V HN 0.238 nan 8.190 nan 0.000 0.424 463 M N 5.298 124.851 119.600 -0.079 0.000 2.240 463 M HA 0.211 4.691 4.480 -0.000 0.000 0.333 463 M C -1.423 174.840 176.300 -0.062 0.000 1.110 463 M CA -1.187 54.081 55.300 -0.054 0.000 1.173 463 M CB 1.110 33.693 32.600 -0.027 0.000 1.458 463 M HN 0.346 nan 8.290 nan 0.000 0.458 464 P HA -0.118 nan 4.420 nan 0.000 0.217 464 P C 0.837 178.124 177.300 -0.022 0.000 1.150 464 P CA 1.528 64.606 63.100 -0.038 0.000 0.832 464 P CB -0.012 31.672 31.700 -0.027 0.000 0.787 465 A N 0.347 123.159 122.820 -0.015 0.000 1.883 465 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 465 A C 2.124 179.713 177.584 0.008 0.000 1.186 465 A CA 1.710 53.745 52.037 -0.003 0.000 0.624 465 A CB -1.294 17.704 19.000 -0.003 0.000 0.822 465 A HN 0.187 nan 8.150 nan 0.000 0.444 466 E N -0.284 119.919 120.200 0.006 0.000 2.130 466 E HA -0.217 4.133 4.350 -0.000 0.000 0.196 466 E C 1.888 178.532 176.600 0.073 0.000 0.998 466 E CA 1.483 57.907 56.400 0.040 0.000 0.806 466 E CB -0.412 29.308 29.700 0.034 0.000 0.738 466 E HN 0.760 nan 8.360 nan 0.000 0.459 467 I N 0.938 121.526 120.570 0.030 0.000 2.353 467 I HA -0.181 3.989 4.170 -0.000 0.000 0.248 467 I C 2.545 178.693 176.117 0.052 0.000 1.119 467 I CA 0.809 62.140 61.300 0.053 0.000 1.417 467 I CB -0.255 37.742 38.000 -0.006 0.000 1.078 467 I HN 0.032 nan 8.210 nan 0.000 0.421 468 A N 0.590 123.427 122.820 0.029 0.000 1.968 468 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 468 A C 1.822 179.423 177.584 0.029 0.000 1.169 468 A CA 1.204 53.255 52.037 0.024 0.000 0.638 468 A CB -0.414 18.594 19.000 0.013 0.000 0.812 468 A HN 0.386 nan 8.150 nan 0.000 0.446 469 N N 0.083 118.803 118.700 0.034 0.000 2.370 469 N HA 0.151 4.891 4.740 -0.000 0.000 0.198 469 N C -0.142 175.392 175.510 0.040 0.000 1.156 469 N CA 0.037 53.106 53.050 0.031 0.000 0.839 469 N CB 0.054 38.557 38.487 0.026 0.000 0.989 469 N HN 0.423 nan 8.380 nan 0.000 0.468 470 L N 2.717 123.974 121.223 0.056 0.000 2.456 470 L HA 0.133 4.473 4.340 -0.000 0.000 0.272 470 L C -1.576 175.311 176.870 0.029 0.000 1.189 470 L CA -0.971 53.903 54.840 0.056 0.000 0.846 470 L CB 0.476 42.586 42.059 0.085 0.000 1.111 470 L HN -0.045 nan 8.230 nan 0.000 0.475 471 P HA 0.220 nan 4.420 nan 0.000 0.280 471 P C -1.165 176.138 177.300 0.005 0.000 1.272 471 P CA -0.712 62.392 63.100 0.007 0.000 0.819 471 P CB 0.946 32.645 31.700 -0.001 0.000 1.122 472 D N -0.156 120.247 120.400 0.005 0.000 2.363 472 D HA 0.129 4.769 4.640 -0.000 0.000 0.240 472 D C 0.785 177.084 176.300 -0.000 0.000 1.236 472 D CA 0.018 54.022 54.000 0.006 0.000 0.927 472 D CB -0.201 40.603 40.800 0.007 0.000 1.150 472 D HN 0.346 nan 8.370 nan 0.000 0.458 473 L N -0.895 120.330 121.223 0.003 0.000 3.781 473 L HA -0.255 4.085 4.340 -0.000 0.000 0.426 473 L C -0.464 176.397 176.870 -0.016 0.000 1.197 473 L CA 0.592 55.432 54.840 0.001 0.000 0.907 473 L CB -2.133 39.929 42.059 0.005 0.000 1.812 473 L HN 0.338 nan 8.230 nan 0.000 0.956 474 T N -0.696 113.842 114.554 -0.026 0.000 2.928 474 T HA 0.804 5.154 4.350 -0.000 0.000 0.296 474 T C -0.085 174.567 174.700 -0.080 0.000 1.000 474 T CA 0.037 62.097 62.100 -0.066 0.000 0.989 474 T CB 2.175 71.001 68.868 -0.069 0.000 1.005 474 T HN 0.399 nan 8.240 nan 0.000 0.442 475 A N 2.460 125.199 122.820 -0.135 0.000 2.587 475 A HA 0.822 5.142 4.320 -0.000 0.000 0.293 475 A C -2.018 175.425 177.584 -0.234 0.000 1.087 475 A CA -0.874 51.097 52.037 -0.110 0.000 0.692 475 A CB 1.170 20.155 19.000 -0.025 0.000 1.291 475 A HN 0.730 nan 8.150 nan 0.000 0.407 476 Y N 0.008 120.290 120.300 -0.031 0.000 2.323 476 Y HA 0.517 5.067 4.550 -0.000 0.000 0.331 476 Y C 0.140 175.987 175.900 -0.089 0.000 1.092 476 Y CA -0.224 57.850 58.100 -0.044 0.000 1.150 476 Y CB 1.942 40.385 38.460 -0.028 0.000 1.200 476 Y HN 0.358 nan 8.280 nan 0.000 0.472 477 V N 2.397 122.303 119.914 -0.013 0.000 2.407 477 V HA 0.626 4.746 4.120 -0.000 0.000 0.291 477 V C 0.042 176.006 176.094 -0.217 0.000 1.018 477 V CA -0.776 61.403 62.300 -0.203 0.000 0.842 477 V CB 1.555 33.154 31.823 -0.373 0.000 0.996 477 V HN 0.934 nan 8.190 nan 0.000 0.426 478 G N 4.185 112.870 108.800 -0.192 0.000 3.378 478 G HA2 0.555 4.515 3.960 -0.000 0.000 0.332 478 G HA3 0.555 4.515 3.960 -0.000 0.000 0.332 478 G C -0.645 174.241 174.900 -0.024 0.000 1.490 478 G CA -0.293 44.759 45.100 -0.081 0.000 1.068 478 G HN 0.331 nan 8.290 nan 0.000 0.492 479 F N 1.761 121.749 119.950 0.064 0.000 2.539 479 F HA 0.433 4.960 4.527 -0.000 0.000 0.340 479 F C 1.383 177.211 175.800 0.047 0.000 1.185 479 F CA -0.037 57.998 58.000 0.058 0.000 1.333 479 F CB 0.762 39.793 39.000 0.051 0.000 1.152 479 F HN 0.549 nan 8.300 nan 0.000 0.602 480 A N 1.635 124.621 122.820 0.276 0.000 2.521 480 A HA 0.450 4.770 4.320 -0.000 0.000 0.237 480 A C 0.925 178.576 177.584 0.111 0.000 1.087 480 A CA 0.388 52.512 52.037 0.145 0.000 0.777 480 A CB -0.905 18.149 19.000 0.090 0.000 1.035 480 A HN 1.740 nan 8.150 nan 0.000 0.510 481 G N 0.317 109.160 108.800 0.072 0.000 2.632 481 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.224 481 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.224 481 G C 0.013 174.948 174.900 0.058 0.000 1.341 481 G CA 0.310 45.441 45.100 0.052 0.000 0.880 481 G HN 1.794 nan 8.290 nan 0.000 0.566 482 N N 1.574 120.301 118.700 0.045 0.000 2.895 482 N HA 0.387 5.126 4.740 -0.000 0.000 0.277 482 N C 0.282 175.821 175.510 0.049 0.000 1.185 482 N CA 0.073 53.149 53.050 0.043 0.000 1.106 482 N CB -0.152 38.352 38.487 0.030 0.000 1.422 482 N HN 0.624 nan 8.380 nan 0.000 0.521 483 R N 1.847 122.388 120.500 0.068 0.000 2.771 483 R HA 0.534 4.874 4.340 -0.000 0.000 0.274 483 R C -2.631 173.711 176.300 0.069 0.000 0.987 483 R CA -1.549 54.599 56.100 0.080 0.000 0.908 483 R CB 1.002 31.387 30.300 0.143 0.000 1.213 483 R HN 0.341 nan 8.270 nan 0.000 0.468 484 P HA 0.359 nan 4.420 nan 0.000 0.277 484 P C -0.100 177.236 177.300 0.061 0.000 1.271 484 P CA -0.495 62.631 63.100 0.042 0.000 0.795 484 P CB 0.784 32.494 31.700 0.018 0.000 1.101 485 I N -2.942 117.666 120.570 0.064 0.000 3.205 485 I HA 0.891 5.061 4.170 -0.000 0.000 0.310 485 I C -0.691 175.476 176.117 0.084 0.000 1.089 485 I CA -1.375 59.963 61.300 0.064 0.000 1.023 485 I CB 1.785 39.837 38.000 0.087 0.000 1.269 485 I HN 0.433 nan 8.210 nan 0.000 0.512 486 A N 1.892 124.760 122.820 0.080 0.000 2.589 486 A HA 0.519 4.839 4.320 -0.000 0.000 0.296 486 A C -1.307 176.262 177.584 -0.024 0.000 1.062 486 A CA -0.809 51.262 52.037 0.056 0.000 0.686 486 A CB 1.575 20.585 19.000 0.016 0.000 1.282 486 A HN 0.762 nan 8.150 nan 0.000 0.404 487 K N 1.736 122.062 120.400 -0.122 0.000 2.262 487 K HA 0.617 4.937 4.320 -0.000 0.000 0.282 487 K C -1.254 175.206 176.600 -0.233 0.000 1.066 487 K CA -0.186 55.840 56.287 -0.434 0.000 0.901 487 K CB 0.761 32.970 32.500 -0.484 0.000 1.089 487 K HN 0.496 nan 8.250 nan 0.000 0.476 488 V N 5.956 125.738 119.914 -0.220 0.000 2.914 488 V HA 0.520 4.640 4.120 -0.000 0.000 0.314 488 V C -2.378 173.654 176.094 -0.104 0.000 1.084 488 V CA -1.866 60.363 62.300 -0.118 0.000 0.963 488 V CB 1.971 33.750 31.823 -0.073 0.000 1.025 488 V HN 0.834 nan 8.190 nan 0.000 0.432 489 P HA 0.411 nan 4.420 nan 0.000 0.294 489 P C -1.190 176.100 177.300 -0.016 0.000 1.294 489 P CA -0.412 62.663 63.100 -0.041 0.000 0.827 489 P CB 1.753 33.435 31.700 -0.030 0.000 0.992 490 L N 3.574 124.792 121.223 -0.007 0.000 2.264 490 L HA 0.297 4.637 4.340 -0.000 0.000 0.289 490 L C 0.962 177.845 176.870 0.022 0.000 1.044 490 L CA -0.512 54.338 54.840 0.016 0.000 0.807 490 L CB 0.841 42.913 42.059 0.021 0.000 1.192 490 L HN 0.498 nan 8.230 nan 0.000 0.425 491 E N 4.938 125.158 120.200 0.033 0.000 2.204 491 E HA 0.359 4.709 4.350 -0.000 0.000 0.276 491 E C -0.712 175.915 176.600 0.045 0.000 0.974 491 E CA -0.805 55.612 56.400 0.029 0.000 0.815 491 E CB 1.804 31.517 29.700 0.020 0.000 1.119 491 E HN 0.509 nan 8.360 nan 0.000 0.393 492 I N 3.448 124.037 120.570 0.033 0.000 2.349 492 I HA 0.057 4.227 4.170 -0.000 0.000 0.302 492 I C 0.660 176.786 176.117 0.015 0.000 1.180 492 I CA -0.197 61.130 61.300 0.044 0.000 1.405 492 I CB -0.312 37.706 38.000 0.029 0.000 1.474 492 I HN 0.483 nan 8.210 nan 0.000 0.632 493 K N 5.287 125.703 120.400 0.026 0.000 2.295 493 K HA 0.163 4.483 4.320 -0.000 0.000 0.270 493 K C -0.187 176.266 176.600 -0.245 0.000 1.011 493 K CA -0.493 55.709 56.287 -0.142 0.000 0.953 493 K CB 0.815 33.195 32.500 -0.201 0.000 0.956 493 K HN 0.395 nan 8.250 nan 0.000 0.477 494 Q N 2.810 122.368 119.800 -0.403 0.000 2.241 494 Q HA 0.306 4.646 4.340 -0.000 0.000 0.254 494 Q C -1.164 174.462 176.000 -0.624 0.000 0.917 494 Q CA -0.215 55.392 55.803 -0.328 0.000 0.919 494 Q CB 1.114 29.737 28.738 -0.192 0.000 1.237 494 Q HN 0.426 nan 8.270 nan 0.000 0.434 495 F N 0.413 120.264 119.950 -0.164 0.000 2.493 495 F HA 0.525 5.052 4.527 0.000 0.000 0.329 495 F C 0.338 176.008 175.800 -0.218 0.000 1.126 495 F CA -1.052 56.804 58.000 -0.239 0.000 0.937 495 F CB 1.541 40.324 39.000 -0.362 0.000 1.146 495 F HN 0.485 nan 8.300 nan 0.000 0.442 496 A N 2.944 125.734 122.820 -0.049 0.000 2.401 496 A HA 0.272 4.592 4.320 -0.000 0.000 0.259 496 A C 0.054 177.583 177.584 -0.091 0.000 1.103 496 A CA -0.611 51.386 52.037 -0.066 0.000 0.789 496 A CB -0.011 18.953 19.000 -0.061 0.000 1.035 496 A HN 0.874 nan 8.150 nan 0.000 0.491 497 N N 1.536 120.183 118.700 -0.089 0.000 2.400 497 N HA 0.119 4.859 4.740 -0.000 0.000 0.267 497 N C 0.538 175.994 175.510 -0.090 0.000 1.208 497 N CA -0.102 52.884 53.050 -0.107 0.000 0.951 497 N CB 0.493 38.928 38.487 -0.087 0.000 1.227 497 N HN 0.687 nan 8.380 nan 0.000 0.488 498 R N 1.938 122.376 120.500 -0.103 0.000 2.702 498 R HA 0.222 4.562 4.340 -0.000 0.000 0.314 498 R C -0.452 175.801 176.300 -0.078 0.000 1.152 498 R CA -0.199 55.858 56.100 -0.071 0.000 1.097 498 R CB 0.155 30.427 30.300 -0.047 0.000 1.343 498 R HN 0.534 nan 8.270 nan 0.000 0.575 499 Q N 0.550 120.295 119.800 -0.091 0.000 2.896 499 Q HA 0.134 4.474 4.340 -0.000 0.000 0.241 499 Q C -3.014 172.930 176.000 -0.093 0.000 0.999 499 Q CA -1.414 54.333 55.803 -0.094 0.000 0.912 499 Q CB 2.242 30.905 28.738 -0.125 0.000 2.012 499 Q HN 0.150 nan 8.270 nan 0.000 0.489 500 P HA 0.101 nan 4.420 nan 0.000 0.276 500 P C -0.254 177.016 177.300 -0.049 0.000 1.230 500 P CA 0.202 63.268 63.100 -0.057 0.000 0.776 500 P CB 1.253 32.922 31.700 -0.051 0.000 0.888 501 A N 3.678 126.484 122.820 -0.024 0.000 1.933 501 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 501 A C 0.726 178.380 177.584 0.117 0.000 1.175 501 A CA 1.356 53.392 52.037 -0.002 0.000 0.628 501 A CB -0.642 18.348 19.000 -0.016 0.000 0.814 501 A HN 0.585 nan 8.150 nan 0.000 0.444 502 F N -2.241 117.670 119.950 -0.064 0.000 2.613 502 F HA 0.565 5.092 4.527 -0.000 0.000 0.314 502 F C -0.939 174.845 175.800 -0.027 0.000 1.075 502 F CA -1.669 56.308 58.000 -0.038 0.000 0.945 502 F CB 2.195 41.178 39.000 -0.028 0.000 1.310 502 F HN -0.225 nan 8.300 nan 0.000 0.467 503 V N 3.159 122.547 119.914 -0.877 0.000 2.850 503 V HA 0.133 4.253 4.120 -0.000 0.000 0.284 503 V C -0.525 175.056 176.094 -0.855 0.000 0.940 503 V CA -0.725 61.173 62.300 -0.670 0.000 1.131 503 V CB 0.705 32.343 31.823 -0.309 0.000 1.024 503 V HN 0.764 nan 8.190 nan 0.000 0.513 504 E N 1.839 121.318 120.200 -1.203 0.000 2.383 504 E HA 0.430 4.780 4.350 -0.000 0.000 0.257 504 E C 0.618 177.068 176.600 -0.251 0.000 1.079 504 E CA 0.490 56.546 56.400 -0.573 0.000 0.934 504 E CB 0.694 30.294 29.700 -0.166 0.000 0.978 504 E HN 0.716 nan 8.360 nan 0.000 0.462 505 G N 2.924 111.631 108.800 -0.156 0.000 2.600 505 G HA2 0.564 4.524 3.960 -0.000 0.000 0.303 505 G HA3 0.564 4.524 3.960 -0.000 0.000 0.303 505 G C -0.438 174.437 174.900 -0.043 0.000 1.253 505 G CA -0.053 44.990 45.100 -0.095 0.000 0.974 505 G HN 0.799 nan 8.290 nan 0.000 0.483 506 T N 0.000 114.532 114.554 -0.036 0.000 3.816 506 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 506 T CA 0.000 62.088 62.100 -0.020 0.000 1.349 506 T CB 0.000 68.856 68.868 -0.019 0.000 0.612 506 T HN 0.000 nan 8.240 nan 0.000 0.658