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 2bgz_1_A DATA FIRST_RESID 71 DATA SEQUENCE GLDVAISQNG FFRLVDSNGS VFYSRNGQFK LDENRNLVNM QGMQLTGYPA DATA SEQUENCE TGTPPTIQQG ANPAPITIPN TLMAAKSTTT ASMQINLNST DPVPSKTPFS DATA SEQUENCE VSDADSYNKK GTVTVYDSQG NAHDMNVYFV KTKDNEWAVY THDSSDPAAT DATA SEQUENCE APTTASTTLK FNENGILESG GTVNITTGTI NGATAATFSL SFLNSMQQNT DATA SEQUENCE GANNIVATNQ NGYKPGDLVS YQINNDGTVV GNYSNEQEQV LGQIVLANFA DATA SEQUENCE NNEGLASQGD NVWAATQASG VALLGTAGSG NFGKLTNGAL EAS 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 71 G HA2 0.000 nan 3.960 nan 0.000 0.244 71 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 71 G C 0.000 174.942 174.900 0.070 0.000 0.946 71 G CA 0.000 45.138 45.100 0.062 0.000 0.502 72 L N 1.889 123.180 121.223 0.112 0.000 2.379 72 L HA 0.696 5.036 4.340 -0.000 0.000 0.269 72 L C 0.034 176.946 176.870 0.070 0.000 1.084 72 L CA -0.635 54.278 54.840 0.121 0.000 0.802 72 L CB 1.717 43.904 42.059 0.213 0.000 1.175 72 L HN 0.491 nan 8.230 nan 0.000 0.448 73 D N 1.278 121.712 120.400 0.058 0.000 2.476 73 D HA 0.379 5.019 4.640 -0.000 0.000 0.251 73 D C -1.070 175.274 176.300 0.073 0.000 1.291 73 D CA -0.136 53.879 54.000 0.026 0.000 0.939 73 D CB 1.903 42.705 40.800 0.004 0.000 1.221 73 D HN 0.316 nan 8.370 nan 0.000 0.567 74 V N 1.486 121.467 119.914 0.112 0.000 2.575 74 V HA 0.667 4.787 4.120 -0.000 0.000 0.281 74 V C 0.363 176.638 176.094 0.301 0.000 1.087 74 V CA -0.709 61.710 62.300 0.200 0.000 1.193 74 V CB 0.311 32.285 31.823 0.253 0.000 1.426 74 V HN 0.495 nan 8.190 nan 0.000 0.623 75 A N 1.815 124.748 122.820 0.187 0.000 2.366 75 A HA 0.792 5.112 4.320 -0.000 0.000 0.249 75 A C -0.095 177.595 177.584 0.177 0.000 1.084 75 A CA -0.232 51.936 52.037 0.218 0.000 0.794 75 A CB 0.372 19.433 19.000 0.101 0.000 1.034 75 A HN 0.734 nan 8.150 nan 0.000 0.491 76 I N 1.536 122.176 120.570 0.116 0.000 2.382 76 I HA 0.135 4.305 4.170 -0.000 0.000 0.285 76 I C 1.121 177.218 176.117 -0.034 0.000 1.007 76 I CA -0.092 61.201 61.300 -0.011 0.000 1.142 76 I CB 1.937 39.823 38.000 -0.189 0.000 1.289 76 I HN 0.787 nan 8.210 nan 0.000 0.453 77 S N 3.983 119.671 115.700 -0.020 0.000 2.562 77 S HA 0.134 4.604 4.470 -0.000 0.000 0.221 77 S C 0.776 175.347 174.600 -0.048 0.000 0.975 77 S CA -0.038 58.147 58.200 -0.024 0.000 0.918 77 S CB 0.020 63.216 63.200 -0.006 0.000 0.772 77 S HN 0.592 nan 8.310 nan 0.000 0.531 78 Q N 1.228 120.986 119.800 -0.069 0.000 2.199 78 Q HA 0.363 4.703 4.340 -0.000 0.000 0.205 78 Q C -0.458 175.458 176.000 -0.140 0.000 1.001 78 Q CA -0.710 55.046 55.803 -0.078 0.000 1.019 78 Q CB 0.346 29.052 28.738 -0.053 0.000 1.132 78 Q HN 0.246 nan 8.270 nan 0.000 0.530 79 N N -0.646 117.987 118.700 -0.112 0.000 2.513 79 N HA 0.428 5.168 4.740 -0.000 0.000 0.274 79 N C -0.359 175.102 175.510 -0.081 0.000 1.189 79 N CA 0.834 53.799 53.050 -0.142 0.000 0.975 79 N CB 0.991 39.438 38.487 -0.068 0.000 1.157 79 N HN 0.715 nan 8.380 nan 0.000 0.465 80 G N 0.630 109.364 108.800 -0.110 0.000 2.640 80 G HA2 0.023 3.983 3.960 -0.000 0.000 0.686 80 G HA3 0.023 3.983 3.960 -0.000 0.000 0.686 80 G C -1.620 173.072 174.900 -0.347 0.000 1.229 80 G CA -0.883 44.204 45.100 -0.021 0.000 0.796 80 G HN 0.340 nan 8.290 nan 0.000 0.654 81 F N 0.108 120.044 119.950 -0.022 0.000 2.563 81 F HA 0.769 5.296 4.527 -0.000 0.000 0.316 81 F C 0.489 176.271 175.800 -0.029 0.000 1.076 81 F CA -0.878 57.147 58.000 0.042 0.000 0.921 81 F CB 1.617 40.804 39.000 0.312 0.000 1.209 81 F HN 0.445 nan 8.300 nan 0.000 0.462 82 F N 1.396 121.565 119.950 0.364 0.000 2.450 82 F HA 0.338 4.865 4.527 -0.000 0.000 0.339 82 F C 0.615 176.592 175.800 0.295 0.000 1.146 82 F CA -0.341 57.815 58.000 0.260 0.000 1.267 82 F CB 0.496 39.666 39.000 0.283 0.000 1.178 82 F HN 0.266 nan 8.300 nan 0.000 0.585 83 R N 3.402 124.104 120.500 0.335 0.000 2.310 83 R HA 0.521 4.861 4.340 -0.000 0.000 0.324 83 R C -1.789 174.522 176.300 0.019 0.000 0.955 83 R CA -0.539 55.612 56.100 0.085 0.000 0.830 83 R CB 0.483 30.820 30.300 0.062 0.000 1.154 83 R HN 0.481 nan 8.270 nan 0.000 0.458 84 L N 4.786 125.993 121.223 -0.026 0.000 2.319 84 L HA 0.597 4.937 4.340 -0.000 0.000 0.267 84 L C -0.129 176.763 176.870 0.038 0.000 1.011 84 L CA -1.059 53.808 54.840 0.045 0.000 0.818 84 L CB 1.505 43.652 42.059 0.146 0.000 1.316 84 L HN 0.496 nan 8.230 nan 0.000 0.432 85 V N -1.752 118.202 119.914 0.066 0.000 2.823 85 V HA 0.698 4.818 4.120 -0.000 0.000 0.312 85 V C -0.578 175.603 176.094 0.144 0.000 1.072 85 V CA -0.937 61.422 62.300 0.099 0.000 0.937 85 V CB 1.930 33.765 31.823 0.020 0.000 1.013 85 V HN 0.842 nan 8.190 nan 0.000 0.430 86 D N 2.450 122.983 120.400 0.221 0.000 2.433 86 D HA 0.249 4.889 4.640 -0.000 0.000 0.255 86 D C 1.328 177.677 176.300 0.081 0.000 1.226 86 D CA 0.140 54.227 54.000 0.144 0.000 1.015 86 D CB 0.970 41.880 40.800 0.184 0.000 1.091 86 D HN 0.765 nan 8.370 nan 0.000 0.527 87 S N -1.106 114.625 115.700 0.052 0.000 2.515 87 S HA -0.128 4.342 4.470 -0.000 0.000 0.231 87 S C 0.983 175.602 174.600 0.031 0.000 0.987 87 S CA 0.442 58.660 58.200 0.031 0.000 0.936 87 S CB -0.860 62.350 63.200 0.018 0.000 0.766 87 S HN 0.567 nan 8.310 nan 0.000 0.528 88 N N 0.849 119.576 118.700 0.046 0.000 2.398 88 N HA 0.254 4.994 4.740 -0.000 0.000 0.188 88 N C 1.056 176.583 175.510 0.028 0.000 1.122 88 N CA 0.267 53.339 53.050 0.037 0.000 0.866 88 N CB 0.180 38.694 38.487 0.045 0.000 0.970 88 N HN 0.628 nan 8.380 nan 0.000 0.462 89 G N 0.442 109.261 108.800 0.031 0.000 2.175 89 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.244 89 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.244 89 G C 0.034 174.920 174.900 -0.023 0.000 0.982 89 G CA -0.155 44.949 45.100 0.007 0.000 0.641 89 G HN 0.284 nan 8.290 nan 0.000 0.527 90 S N -0.230 115.463 115.700 -0.012 0.000 2.562 90 S HA 0.498 4.968 4.470 -0.000 0.000 0.281 90 S C 0.548 174.960 174.600 -0.313 0.000 1.333 90 S CA -0.089 58.020 58.200 -0.152 0.000 1.052 90 S CB 2.064 65.197 63.200 -0.111 0.000 0.884 90 S HN 0.726 nan 8.310 nan 0.000 0.506 91 V N 4.168 123.767 119.914 -0.526 0.000 2.435 91 V HA 0.601 4.721 4.120 -0.000 0.000 0.290 91 V C -0.631 174.936 176.094 -0.879 0.000 1.030 91 V CA -0.421 61.584 62.300 -0.493 0.000 0.881 91 V CB 0.532 32.188 31.823 -0.278 0.000 0.983 91 V HN 0.733 nan 8.190 nan 0.000 0.445 92 F N 2.769 122.515 119.950 -0.339 0.000 2.664 92 F HA 0.769 5.296 4.527 -0.000 0.000 0.329 92 F C -0.825 174.620 175.800 -0.592 0.000 1.090 92 F CA -0.994 56.837 58.000 -0.281 0.000 0.978 92 F CB 1.898 40.862 39.000 -0.060 0.000 1.378 92 F HN 0.299 nan 8.300 nan 0.000 0.495 93 Y N -0.189 120.342 120.300 0.386 0.000 2.492 93 Y HA 0.618 5.168 4.550 -0.000 0.000 0.346 93 Y C -0.273 175.921 175.900 0.489 0.000 0.997 93 Y CA -0.895 57.422 58.100 0.361 0.000 1.025 93 Y CB 2.379 40.929 38.460 0.149 0.000 1.263 93 Y HN 0.520 nan 8.280 nan 0.000 0.454 94 S N 1.067 117.223 115.700 0.759 0.000 2.543 94 S HA 0.424 4.894 4.470 -0.000 0.000 0.274 94 S C -0.184 174.818 174.600 0.669 0.000 1.149 94 S CA -0.835 57.803 58.200 0.730 0.000 0.866 94 S CB 1.206 64.676 63.200 0.449 0.000 1.111 94 S HN 0.805 nan 8.310 nan 0.000 0.457 95 R N 1.357 122.145 120.500 0.480 0.000 2.275 95 R HA 0.151 4.491 4.340 -0.000 0.000 0.199 95 R C -0.169 176.319 176.300 0.313 0.000 0.989 95 R CA 0.034 56.264 56.100 0.217 0.000 1.016 95 R CB -0.194 30.108 30.300 0.003 0.000 0.918 95 R HN 0.464 nan 8.270 nan 0.000 0.473 96 N N 0.948 119.815 118.700 0.278 0.000 2.411 96 N HA -0.021 4.719 4.740 -0.000 0.000 0.261 96 N C 0.496 176.044 175.510 0.062 0.000 1.248 96 N CA 0.487 53.611 53.050 0.123 0.000 0.885 96 N CB 1.149 39.649 38.487 0.023 0.000 1.062 96 N HN 0.226 nan 8.380 nan 0.000 0.471 97 G N 1.356 110.129 108.800 -0.045 0.000 4.098 97 G HA2 0.083 4.043 3.960 -0.000 0.000 0.300 97 G HA3 0.083 4.043 3.960 -0.000 0.000 0.300 97 G C -0.266 174.233 174.900 -0.669 0.000 1.187 97 G CA -0.263 44.663 45.100 -0.290 0.000 0.964 97 G HN 0.356 nan 8.290 nan 0.000 0.559 98 Q N 0.631 119.949 119.800 -0.804 0.000 2.390 98 Q HA 0.595 4.935 4.340 -0.000 0.000 0.249 98 Q C -1.063 174.454 176.000 -0.805 0.000 0.996 98 Q CA -0.130 55.331 55.803 -0.570 0.000 0.899 98 Q CB 1.201 29.763 28.738 -0.292 0.000 1.216 98 Q HN 0.282 nan 8.270 nan 0.000 0.465 99 F N 0.620 120.530 119.950 -0.067 0.000 2.563 99 F HA 0.565 5.092 4.527 -0.000 0.000 0.316 99 F C 0.214 175.991 175.800 -0.038 0.000 1.076 99 F CA -0.972 56.983 58.000 -0.074 0.000 0.921 99 F CB 1.787 40.718 39.000 -0.115 0.000 1.209 99 F HN 0.112 nan 8.300 nan 0.000 0.462 100 K N 1.803 122.294 120.400 0.153 0.000 2.259 100 K HA 0.574 4.894 4.320 -0.000 0.000 0.249 100 K C -1.537 175.092 176.600 0.049 0.000 0.942 100 K CA -1.159 55.177 56.287 0.082 0.000 0.816 100 K CB 2.621 35.146 32.500 0.040 0.000 1.155 100 K HN 0.420 nan 8.250 nan 0.000 0.428 101 L N 4.294 125.521 121.223 0.007 0.000 2.295 101 L HA 0.121 4.461 4.340 -0.000 0.000 0.288 101 L C -0.325 176.523 176.870 -0.037 0.000 1.079 101 L CA 0.015 54.821 54.840 -0.056 0.000 0.830 101 L CB -0.204 41.770 42.059 -0.141 0.000 1.200 101 L HN 0.616 nan 8.230 nan 0.000 0.438 102 D N 2.433 122.813 120.400 -0.033 0.000 2.478 102 D HA 0.055 4.695 4.640 -0.000 0.000 0.269 102 D C 0.549 176.832 176.300 -0.029 0.000 1.232 102 D CA -0.152 53.835 54.000 -0.022 0.000 1.059 102 D CB 0.451 41.243 40.800 -0.014 0.000 1.104 102 D HN 0.583 nan 8.370 nan 0.000 0.566 103 E N -1.129 119.059 120.200 -0.020 0.000 2.204 103 E HA -0.099 4.251 4.350 -0.000 0.000 0.194 103 E C 1.076 177.662 176.600 -0.022 0.000 0.989 103 E CA 0.545 56.934 56.400 -0.019 0.000 0.824 103 E CB -0.096 29.596 29.700 -0.013 0.000 0.756 103 E HN 0.343 nan 8.360 nan 0.000 0.477 104 N N 0.706 119.392 118.700 -0.023 0.000 2.521 104 N HA -0.024 4.716 4.740 -0.000 0.000 0.188 104 N C -0.089 175.400 175.510 -0.035 0.000 1.146 104 N CA 0.323 53.358 53.050 -0.024 0.000 0.893 104 N CB 0.249 38.723 38.487 -0.021 0.000 0.975 104 N HN 0.081 nan 8.380 nan 0.000 0.451 105 R N -0.684 119.788 120.500 -0.046 0.000 3.872 105 R HA -0.147 4.193 4.340 -0.000 0.000 0.341 105 R C -0.839 175.412 176.300 -0.081 0.000 1.172 105 R CA 0.358 56.417 56.100 -0.067 0.000 0.901 105 R CB -2.711 27.553 30.300 -0.058 0.000 1.422 105 R HN 0.473 nan 8.270 nan 0.000 0.523 106 N N 0.461 119.119 118.700 -0.070 0.000 2.495 106 N HA 0.484 5.224 4.740 -0.000 0.000 0.280 106 N C -0.060 175.395 175.510 -0.090 0.000 1.168 106 N CA -0.676 52.326 53.050 -0.081 0.000 0.978 106 N CB 0.897 39.350 38.487 -0.057 0.000 1.191 106 N HN -0.007 nan 8.380 nan 0.000 0.497 107 L N 1.950 123.095 121.223 -0.130 0.000 2.255 107 L HA 0.405 4.745 4.340 -0.000 0.000 0.289 107 L C -0.394 176.452 176.870 -0.040 0.000 1.046 107 L CA -0.788 53.975 54.840 -0.129 0.000 0.816 107 L CB 0.422 42.285 42.059 -0.327 0.000 1.197 107 L HN 0.319 nan 8.230 nan 0.000 0.427 108 V N 0.240 120.216 119.914 0.103 0.000 2.715 108 V HA 0.613 4.733 4.120 -0.000 0.000 0.310 108 V C -0.168 176.068 176.094 0.236 0.000 1.054 108 V CA -0.957 61.430 62.300 0.144 0.000 0.928 108 V CB 1.737 33.593 31.823 0.054 0.000 1.007 108 V HN 0.784 nan 8.190 nan 0.000 0.437 109 N N 3.179 121.987 118.700 0.181 0.000 2.366 109 N HA 0.226 4.966 4.740 -0.000 0.000 0.277 109 N C 0.727 176.227 175.510 -0.016 0.000 1.275 109 N CA -0.415 52.649 53.050 0.023 0.000 0.964 109 N CB 0.435 38.921 38.487 -0.002 0.000 1.167 109 N HN 0.825 nan 8.380 nan 0.000 0.568 110 M N -1.173 118.393 119.600 -0.057 0.000 2.374 110 M HA -0.060 4.420 4.480 -0.000 0.000 0.264 110 M C 0.745 177.018 176.300 -0.044 0.000 1.067 110 M CA 1.335 56.605 55.300 -0.050 0.000 1.103 110 M CB -0.106 32.457 32.600 -0.062 0.000 1.402 110 M HN 0.550 nan 8.290 nan 0.000 0.444 111 Q N -0.707 119.062 119.800 -0.051 0.000 2.403 111 Q HA 0.196 4.536 4.340 -0.000 0.000 0.203 111 Q C 1.041 177.014 176.000 -0.045 0.000 0.932 111 Q CA 0.680 56.447 55.803 -0.061 0.000 0.945 111 Q CB 0.387 29.065 28.738 -0.099 0.000 1.045 111 Q HN 0.661 nan 8.270 nan 0.000 0.511 112 G N 0.228 109.016 108.800 -0.021 0.000 2.159 112 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.256 112 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.256 112 G C 0.093 174.995 174.900 0.004 0.000 0.977 112 G CA 0.003 45.099 45.100 -0.006 0.000 0.652 112 G HN 0.253 nan 8.290 nan 0.000 0.531 113 M N 0.364 119.968 119.600 0.007 0.000 2.243 113 M HA 0.348 4.828 4.480 -0.000 0.000 0.341 113 M C 0.714 177.046 176.300 0.055 0.000 1.130 113 M CA 0.399 55.718 55.300 0.031 0.000 1.162 113 M CB 0.646 33.261 32.600 0.026 0.000 1.497 113 M HN 0.236 nan 8.290 nan 0.000 0.456 114 Q N 2.078 121.901 119.800 0.038 0.000 2.278 114 Q HA 0.416 4.756 4.340 -0.000 0.000 0.257 114 Q C -1.033 174.947 176.000 -0.034 0.000 0.928 114 Q CA -0.803 54.998 55.803 -0.004 0.000 0.932 114 Q CB 1.658 30.385 28.738 -0.018 0.000 1.221 114 Q HN 0.459 nan 8.270 nan 0.000 0.434 115 L N 2.963 124.109 121.223 -0.128 0.000 2.453 115 L HA 0.169 4.509 4.340 -0.000 0.000 0.272 115 L C -0.073 176.691 176.870 -0.177 0.000 1.182 115 L CA 0.827 55.526 54.840 -0.235 0.000 0.858 115 L CB 0.744 42.400 42.059 -0.672 0.000 1.120 115 L HN 0.765 nan 8.230 nan 0.000 0.474 116 T N 1.654 116.131 114.554 -0.129 0.000 2.942 116 T HA 0.991 5.341 4.350 -0.000 0.000 0.289 116 T C -0.143 174.461 174.700 -0.160 0.000 1.044 116 T CA -0.205 61.821 62.100 -0.123 0.000 1.023 116 T CB 1.815 70.626 68.868 -0.095 0.000 1.123 116 T HN 1.022 nan 8.240 nan 0.000 0.512 117 G N -0.147 108.539 108.800 -0.190 0.000 2.441 117 G HA2 0.464 4.424 3.960 -0.000 0.000 0.294 117 G HA3 0.464 4.424 3.960 -0.000 0.000 0.294 117 G C -1.977 172.775 174.900 -0.246 0.000 1.393 117 G CA -1.049 43.872 45.100 -0.297 0.000 0.796 117 G HN 0.676 nan 8.290 nan 0.000 0.494 118 Y N 1.436 121.730 120.300 -0.011 0.000 2.442 118 Y HA 0.364 4.914 4.550 -0.000 0.000 0.330 118 Y C -1.339 174.554 175.900 -0.011 0.000 1.129 118 Y CA -1.672 56.424 58.100 -0.007 0.000 1.365 118 Y CB 0.334 38.793 38.460 -0.002 0.000 1.233 118 Y HN 0.239 nan 8.280 nan 0.000 0.529 119 P HA 0.266 nan 4.420 nan 0.000 0.274 119 P C -0.980 176.363 177.300 0.072 0.000 1.246 119 P CA -0.433 62.713 63.100 0.077 0.000 0.795 119 P CB 1.012 32.745 31.700 0.053 0.000 1.006 120 A N 1.443 124.289 122.820 0.044 0.000 2.301 120 A HA 0.684 5.004 4.320 -0.000 0.000 0.312 120 A C 0.276 177.872 177.584 0.021 0.000 1.182 120 A CA -0.162 51.895 52.037 0.033 0.000 0.826 120 A CB 0.115 19.132 19.000 0.029 0.000 1.134 120 A HN 0.642 nan 8.150 nan 0.000 0.501 121 T N -1.044 113.519 114.554 0.014 0.000 2.883 121 T HA 0.873 5.223 4.350 -0.000 0.000 0.296 121 T C 0.233 174.934 174.700 0.002 0.000 1.117 121 T CA -0.106 61.998 62.100 0.006 0.000 1.006 121 T CB 1.265 70.136 68.868 0.005 0.000 1.191 121 T HN 2.608 nan 8.240 nan 0.000 0.508 122 G N 0.323 109.123 108.800 -0.001 0.000 2.757 122 G HA2 0.217 4.177 3.960 -0.000 0.000 0.638 122 G HA3 0.217 4.177 3.960 -0.000 0.000 0.638 122 G C -0.628 174.269 174.900 -0.005 0.000 1.344 122 G CA -0.441 44.657 45.100 -0.003 0.000 0.855 122 G HN 1.294 nan 8.290 nan 0.000 0.537 123 T N 2.620 117.170 114.554 -0.006 0.000 2.965 123 T HA 0.607 4.957 4.350 -0.000 0.000 0.306 123 T C -2.114 172.582 174.700 -0.006 0.000 0.991 123 T CA -0.441 61.655 62.100 -0.008 0.000 1.001 123 T CB 1.578 70.439 68.868 -0.010 0.000 0.984 123 T HN 0.731 nan 8.240 nan 0.000 0.446 124 P HA 0.412 nan 4.420 nan 0.000 0.275 124 P C -2.706 174.592 177.300 -0.002 0.000 1.228 124 P CA -1.495 61.602 63.100 -0.005 0.000 0.786 124 P CB -0.194 31.505 31.700 -0.001 0.000 0.927 125 P HA 0.098 nan 4.420 nan 0.000 0.265 125 P C -0.388 176.918 177.300 0.009 0.000 1.193 125 P CA 0.177 63.279 63.100 0.004 0.000 0.765 125 P CB 0.351 32.055 31.700 0.006 0.000 0.823 126 T N -0.301 114.259 114.554 0.009 0.000 2.864 126 T HA 0.582 4.932 4.350 -0.000 0.000 0.299 126 T C -0.443 174.264 174.700 0.012 0.000 1.166 126 T CA -0.873 61.234 62.100 0.011 0.000 1.007 126 T CB 0.978 69.848 68.868 0.003 0.000 1.219 126 T HN 0.044 nan 8.240 nan 0.000 0.506 127 I N 3.155 123.733 120.570 0.014 0.000 2.297 127 I HA 0.223 4.393 4.170 -0.000 0.000 0.291 127 I C 0.920 177.014 176.117 -0.039 0.000 1.033 127 I CA -0.531 60.775 61.300 0.009 0.000 1.253 127 I CB 0.904 38.926 38.000 0.037 0.000 1.396 127 I HN 0.800 nan 8.210 nan 0.000 0.476 128 Q N 6.587 126.348 119.800 -0.065 0.000 2.340 128 Q HA 0.142 4.482 4.340 -0.000 0.000 0.249 128 Q C 0.294 176.167 176.000 -0.211 0.000 0.957 128 Q CA -0.418 55.322 55.803 -0.104 0.000 0.882 128 Q CB 0.992 29.682 28.738 -0.080 0.000 1.235 128 Q HN 0.700 nan 8.270 nan 0.000 0.439 129 Q N 1.562 121.257 119.800 -0.176 0.000 2.364 129 Q HA 0.042 4.382 4.340 -0.000 0.000 0.207 129 Q C 1.174 177.038 176.000 -0.226 0.000 0.970 129 Q CA 1.217 56.886 55.803 -0.223 0.000 0.888 129 Q CB -0.121 28.542 28.738 -0.124 0.000 0.951 129 Q HN 0.856 nan 8.270 nan 0.000 0.469 130 G N 0.414 109.119 108.800 -0.158 0.000 3.383 130 G HA2 0.445 4.405 3.960 -0.000 0.000 0.251 130 G HA3 0.445 4.405 3.960 -0.000 0.000 0.251 130 G C -0.097 174.755 174.900 -0.079 0.000 1.203 130 G CA 0.048 45.087 45.100 -0.102 0.000 0.852 130 G HN 0.402 nan 8.290 nan 0.000 0.531 131 A N 0.059 122.794 122.820 -0.141 0.000 2.303 131 A HA 0.587 4.907 4.320 -0.000 0.000 0.317 131 A C -0.090 177.604 177.584 0.183 0.000 1.149 131 A CA -0.754 51.286 52.037 0.004 0.000 0.822 131 A CB 0.651 19.661 19.000 0.017 0.000 1.131 131 A HN 0.321 nan 8.150 nan 0.000 0.493 132 N N 2.203 121.001 118.700 0.164 0.000 2.458 132 N HA 0.353 5.093 4.740 -0.000 0.000 0.270 132 N C -2.400 173.209 175.510 0.166 0.000 1.102 132 N CA -1.489 51.654 53.050 0.155 0.000 0.967 132 N CB 0.851 39.386 38.487 0.080 0.000 1.078 132 N HN 0.402 nan 8.380 nan 0.000 0.471 133 P HA 0.114 nan 4.420 nan 0.000 0.268 133 P C -1.449 175.836 177.300 -0.026 0.000 1.205 133 P CA -0.123 62.943 63.100 -0.057 0.000 0.771 133 P CB 1.172 32.780 31.700 -0.152 0.000 0.858 134 A N 4.019 126.814 122.820 -0.042 0.000 2.594 134 A HA 0.698 5.018 4.320 -0.000 0.000 0.291 134 A C -2.925 174.627 177.584 -0.052 0.000 1.105 134 A CA -2.026 49.993 52.037 -0.029 0.000 0.694 134 A CB 0.681 19.678 19.000 -0.006 0.000 1.291 134 A HN 0.250 nan 8.150 nan 0.000 0.410 135 P HA 0.064 nan 4.420 nan 0.000 0.261 135 P C -0.235 177.022 177.300 -0.071 0.000 1.183 135 P CA 0.215 63.278 63.100 -0.062 0.000 0.761 135 P CB 0.036 31.709 31.700 -0.044 0.000 0.785 136 I N 3.307 123.815 120.570 -0.104 0.000 2.683 136 I HA 0.018 4.188 4.170 -0.000 0.000 0.286 136 I C 1.132 177.192 176.117 -0.095 0.000 1.175 136 I CA 0.879 62.115 61.300 -0.107 0.000 1.429 136 I CB -0.315 37.589 38.000 -0.160 0.000 1.371 136 I HN 0.370 nan 8.210 nan 0.000 0.569 137 T N 4.756 119.266 114.554 -0.072 0.000 2.856 137 T HA 0.731 5.081 4.350 -0.000 0.000 0.283 137 T C -0.191 174.463 174.700 -0.076 0.000 1.008 137 T CA -0.709 61.349 62.100 -0.070 0.000 0.997 137 T CB 1.935 70.776 68.868 -0.045 0.000 0.992 137 T HN 0.335 nan 8.240 nan 0.000 0.454 138 I N 3.423 123.934 120.570 -0.099 0.000 2.621 138 I HA 0.297 4.467 4.170 -0.000 0.000 0.276 138 I C -2.449 173.623 176.117 -0.075 0.000 1.118 138 I CA -2.457 58.777 61.300 -0.110 0.000 1.159 138 I CB 1.193 39.057 38.000 -0.226 0.000 1.357 138 I HN 0.393 nan 8.210 nan 0.000 0.513 139 P HA 0.093 nan 4.420 nan 0.000 0.272 139 P C -0.063 177.247 177.300 0.017 0.000 1.254 139 P CA -0.015 63.081 63.100 -0.008 0.000 0.795 139 P CB 0.508 32.210 31.700 0.005 0.000 1.022 140 N N -3.006 115.695 118.700 0.002 0.000 2.184 140 N HA 0.021 4.761 4.740 -0.000 0.000 0.206 140 N C 0.018 175.545 175.510 0.028 0.000 1.151 140 N CA -0.077 52.980 53.050 0.011 0.000 0.878 140 N CB -0.913 37.566 38.487 -0.013 0.000 1.014 140 N HN 0.340 nan 8.380 nan 0.000 0.512 141 T N 0.583 115.150 114.554 0.023 0.000 2.932 141 T HA 0.208 4.558 4.350 -0.000 0.000 0.312 141 T C 0.522 175.241 174.700 0.032 0.000 1.071 141 T CA -0.565 61.547 62.100 0.020 0.000 1.128 141 T CB 0.214 69.087 68.868 0.007 0.000 0.984 141 T HN 0.159 nan 8.240 nan 0.000 0.549 142 L N 3.040 124.280 121.223 0.028 0.000 2.444 142 L HA 0.346 4.686 4.340 -0.000 0.000 0.251 142 L C 0.856 177.734 176.870 0.013 0.000 1.247 142 L CA -0.438 54.422 54.840 0.034 0.000 0.825 142 L CB 0.159 42.236 42.059 0.028 0.000 1.129 142 L HN 0.710 nan 8.230 nan 0.000 0.527 143 M N -0.247 119.362 119.600 0.015 0.000 2.716 143 M HA 0.593 5.073 4.480 -0.000 0.000 0.307 143 M C -0.337 175.981 176.300 0.030 0.000 1.223 143 M CA -0.504 54.795 55.300 -0.001 0.000 0.871 143 M CB 2.093 34.672 32.600 -0.036 0.000 1.739 143 M HN 0.675 nan 8.290 nan 0.000 0.475 144 A N 1.528 124.361 122.820 0.022 0.000 2.256 144 A HA 0.758 5.078 4.320 -0.000 0.000 0.276 144 A C -0.038 177.564 177.584 0.029 0.000 1.259 144 A CA 0.040 52.086 52.037 0.015 0.000 0.813 144 A CB -0.282 18.712 19.000 -0.009 0.000 1.200 144 A HN 0.960 nan 8.150 nan 0.000 0.506 145 A N -0.993 121.812 122.820 -0.026 0.000 2.240 145 A HA 0.678 4.998 4.320 -0.000 0.000 0.292 145 A C -0.028 177.407 177.584 -0.249 0.000 1.121 145 A CA -0.211 51.765 52.037 -0.101 0.000 0.851 145 A CB 0.396 19.356 19.000 -0.068 0.000 1.167 145 A HN 0.697 nan 8.150 nan 0.000 0.503 146 K N -0.093 120.045 120.400 -0.436 0.000 2.716 146 K HA 0.361 4.681 4.320 -0.000 0.000 0.249 146 K C -0.707 175.688 176.600 -0.342 0.000 1.004 146 K CA 0.073 56.030 56.287 -0.550 0.000 0.968 146 K CB 1.277 32.955 32.500 -1.369 0.000 1.214 146 K HN 0.632 nan 8.250 nan 0.000 0.476 147 S N 2.191 117.789 115.700 -0.170 0.000 2.549 147 S HA 0.158 4.628 4.470 -0.000 0.000 0.283 147 S C -0.269 174.283 174.600 -0.081 0.000 1.320 147 S CA 0.078 58.231 58.200 -0.079 0.000 1.058 147 S CB 0.245 63.417 63.200 -0.047 0.000 0.882 147 S HN 0.581 nan 8.310 nan 0.000 0.498 148 T N 3.649 118.170 114.554 -0.056 0.000 2.870 148 T HA 0.231 4.581 4.350 -0.000 0.000 0.300 148 T C 1.415 176.118 174.700 0.005 0.000 0.989 148 T CA 0.153 62.207 62.100 -0.076 0.000 1.139 148 T CB 0.806 69.542 68.868 -0.221 0.000 0.920 148 T HN 0.844 nan 8.240 nan 0.000 0.537 149 T N -1.388 113.181 114.554 0.026 0.000 2.975 149 T HA 0.232 4.582 4.350 -0.000 0.000 0.257 149 T C 0.737 175.515 174.700 0.130 0.000 1.003 149 T CA -0.148 62.010 62.100 0.098 0.000 0.932 149 T CB 0.254 69.147 68.868 0.043 0.000 1.087 149 T HN 0.678 nan 8.240 nan 0.000 0.512 150 T N -0.344 114.255 114.554 0.074 0.000 2.903 150 T HA 0.851 5.201 4.350 -0.000 0.000 0.299 150 T C -0.972 173.730 174.700 0.004 0.000 1.093 150 T CA -0.550 61.598 62.100 0.080 0.000 1.002 150 T CB 2.050 70.940 68.868 0.037 0.000 1.127 150 T HN 0.628 nan 8.240 nan 0.000 0.488 151 A N 1.433 124.279 122.820 0.043 0.000 2.606 151 A HA 0.949 5.269 4.320 -0.000 0.000 0.293 151 A C -0.444 177.104 177.584 -0.059 0.000 1.082 151 A CA -0.684 51.316 52.037 -0.061 0.000 0.685 151 A CB 1.502 20.386 19.000 -0.193 0.000 1.284 151 A HN 1.879 nan 8.150 nan 0.000 0.408 152 S N 0.180 115.820 115.700 -0.099 0.000 2.564 152 S HA 0.825 5.295 4.470 -0.000 0.000 0.274 152 S C -0.744 173.775 174.600 -0.135 0.000 1.124 152 S CA -0.541 57.574 58.200 -0.141 0.000 0.869 152 S CB 1.688 64.842 63.200 -0.076 0.000 1.105 152 S HN 1.371 nan 8.310 nan 0.000 0.472 153 M N 2.443 121.938 119.600 -0.175 0.000 2.224 153 M HA 0.383 4.863 4.480 -0.000 0.000 0.281 153 M C -1.740 174.614 176.300 0.091 0.000 1.025 153 M CA -0.167 55.122 55.300 -0.018 0.000 0.954 153 M CB 2.045 34.683 32.600 0.064 0.000 1.639 153 M HN 0.948 nan 8.290 nan 0.000 0.461 154 Q N 5.306 125.153 119.800 0.077 0.000 2.347 154 Q HA 0.610 4.950 4.340 -0.000 0.000 0.262 154 Q C -1.899 174.127 176.000 0.043 0.000 0.980 154 Q CA -0.393 55.460 55.803 0.083 0.000 0.867 154 Q CB 1.694 30.456 28.738 0.040 0.000 1.242 154 Q HN 0.889 nan 8.270 nan 0.000 0.453 155 I N 3.576 124.158 120.570 0.020 0.000 2.608 155 I HA 0.419 4.589 4.170 -0.000 0.000 0.295 155 I C -1.381 174.622 176.117 -0.191 0.000 1.049 155 I CA -0.922 60.292 61.300 -0.143 0.000 1.063 155 I CB 1.958 39.742 38.000 -0.360 0.000 1.248 155 I HN 0.600 nan 8.210 nan 0.000 0.424 156 N N 7.853 126.415 118.700 -0.230 0.000 2.437 156 N HA 0.481 5.221 4.740 -0.000 0.000 0.259 156 N C -1.221 174.061 175.510 -0.380 0.000 0.983 156 N CA -0.207 52.688 53.050 -0.258 0.000 0.937 156 N CB 1.726 40.113 38.487 -0.167 0.000 1.122 156 N HN 0.471 nan 8.380 nan 0.000 0.499 157 L N 1.688 122.584 121.223 -0.544 0.000 2.331 157 L HA 0.396 4.736 4.340 -0.000 0.000 0.275 157 L C 0.446 177.084 176.870 -0.387 0.000 1.022 157 L CA -0.988 53.431 54.840 -0.702 0.000 0.812 157 L CB 1.320 42.524 42.059 -1.425 0.000 1.257 157 L HN 0.389 nan 8.230 nan 0.000 0.435 158 N N 0.161 118.770 118.700 -0.150 0.000 2.420 158 N HA 0.046 4.786 4.740 -0.000 0.000 0.249 158 N C 0.915 176.534 175.510 0.182 0.000 1.033 158 N CA -0.006 53.055 53.050 0.019 0.000 0.944 158 N CB 1.332 39.851 38.487 0.054 0.000 1.113 158 N HN 0.606 nan 8.380 nan 0.000 0.502 159 S N 1.685 117.444 115.700 0.100 0.000 2.419 159 S HA -0.187 4.283 4.470 -0.000 0.000 0.235 159 S C 1.499 176.157 174.600 0.097 0.000 1.019 159 S CA 1.635 59.913 58.200 0.131 0.000 0.982 159 S CB -0.879 62.356 63.200 0.058 0.000 0.789 159 S HN 0.685 nan 8.310 nan 0.000 0.490 160 T N -1.809 112.789 114.554 0.073 0.000 3.148 160 T HA 0.188 4.538 4.350 -0.000 0.000 0.253 160 T C 0.120 174.851 174.700 0.051 0.000 1.134 160 T CA -0.128 61.999 62.100 0.046 0.000 1.051 160 T CB -0.645 68.241 68.868 0.029 0.000 0.959 160 T HN 0.230 nan 8.240 nan 0.000 0.525 161 D N 3.813 124.272 120.400 0.099 0.000 2.449 161 D HA 0.219 4.859 4.640 -0.000 0.000 0.236 161 D C -2.059 174.245 176.300 0.006 0.000 1.149 161 D CA -1.083 52.974 54.000 0.095 0.000 0.878 161 D CB 0.732 41.677 40.800 0.242 0.000 1.198 161 D HN 0.237 nan 8.370 nan 0.000 0.446 162 P HA 0.087 nan 4.420 nan 0.000 0.277 162 P C -0.757 176.505 177.300 -0.065 0.000 1.240 162 P CA -0.514 62.569 63.100 -0.028 0.000 0.798 162 P CB 0.721 32.417 31.700 -0.006 0.000 0.979 163 V N 4.354 124.219 119.914 -0.081 0.000 2.470 163 V HA 0.102 4.222 4.120 -0.000 0.000 0.276 163 V C -1.768 174.308 176.094 -0.030 0.000 1.040 163 V CA -1.090 61.160 62.300 -0.082 0.000 1.008 163 V CB -0.206 31.568 31.823 -0.082 0.000 0.990 163 V HN 0.580 nan 8.190 nan 0.000 0.477 164 P HA 0.067 nan 4.420 nan 0.000 0.265 164 P C 0.783 178.088 177.300 0.008 0.000 1.193 164 P CA 0.162 63.272 63.100 0.015 0.000 0.765 164 P CB 0.615 32.346 31.700 0.052 0.000 0.823 165 S N 2.146 117.846 115.700 -0.000 0.000 2.406 165 S HA -0.000 4.470 4.470 -0.000 0.000 0.224 165 S C 0.979 175.578 174.600 -0.000 0.000 1.030 165 S CA 0.434 58.632 58.200 -0.003 0.000 0.958 165 S CB -0.290 62.906 63.200 -0.008 0.000 0.811 165 S HN 0.216 nan 8.310 nan 0.000 0.489 166 K N 4.034 124.432 120.400 -0.004 0.000 2.419 166 K HA 0.175 4.495 4.320 -0.000 0.000 0.282 166 K C -0.048 176.556 176.600 0.007 0.000 1.056 166 K CA 0.455 56.738 56.287 -0.008 0.000 1.035 166 K CB 0.000 32.486 32.500 -0.023 0.000 0.921 166 K HN 0.628 nan 8.250 nan 0.000 0.472 167 T N 2.331 116.886 114.554 0.002 0.000 2.942 167 T HA 0.678 5.028 4.350 -0.000 0.000 0.289 167 T C -2.256 172.434 174.700 -0.016 0.000 1.044 167 T CA -1.788 60.317 62.100 0.009 0.000 1.023 167 T CB 1.549 70.428 68.868 0.017 0.000 1.123 167 T HN 0.236 nan 8.240 nan 0.000 0.512 168 P HA 0.412 nan 4.420 nan 0.000 0.282 168 P C -0.657 176.634 177.300 -0.015 0.000 1.287 168 P CA -1.009 62.091 63.100 -0.001 0.000 0.792 168 P CB 0.183 31.875 31.700 -0.014 0.000 1.163 169 F N 0.708 120.575 119.950 -0.140 0.000 2.608 169 F HA 0.318 4.845 4.527 -0.000 0.000 0.380 169 F C 0.250 175.885 175.800 -0.276 0.000 1.083 169 F CA 0.625 58.479 58.000 -0.243 0.000 1.266 169 F CB 0.029 38.702 39.000 -0.544 0.000 1.076 169 F HN 0.155 nan 8.300 nan 0.000 0.574 170 S N 5.378 120.338 115.700 -1.233 0.000 2.572 170 S HA 0.402 4.872 4.470 -0.000 0.000 0.274 170 S C 0.475 174.365 174.600 -1.184 0.000 1.150 170 S CA -0.334 57.202 58.200 -1.107 0.000 0.944 170 S CB 1.102 64.008 63.200 -0.490 0.000 1.071 170 S HN 1.139 nan 8.310 nan 0.000 0.479 171 V N 3.154 122.383 119.914 -1.141 0.000 2.688 171 V HA -0.006 4.114 4.120 -0.000 0.000 0.256 171 V C 1.496 177.436 176.094 -0.256 0.000 1.084 171 V CA 2.202 64.018 62.300 -0.806 0.000 1.103 171 V CB -1.075 30.402 31.823 -0.578 0.000 0.688 171 V HN 0.722 nan 8.190 nan 0.000 0.480 172 S N -0.323 115.239 115.700 -0.230 0.000 2.528 172 S HA 0.115 4.585 4.470 -0.000 0.000 0.219 172 S C 0.635 175.212 174.600 -0.039 0.000 0.985 172 S CA 0.506 58.657 58.200 -0.083 0.000 0.914 172 S CB -0.184 62.955 63.200 -0.100 0.000 0.776 172 S HN 0.729 nan 8.310 nan 0.000 0.526 173 D N 1.223 121.581 120.400 -0.070 0.000 2.454 173 D HA 0.582 5.222 4.640 -0.000 0.000 0.225 173 D C 0.593 176.852 176.300 -0.067 0.000 1.081 173 D CA -0.346 53.616 54.000 -0.063 0.000 0.864 173 D CB 1.071 41.807 40.800 -0.106 0.000 1.040 173 D HN 0.057 nan 8.370 nan 0.000 0.517 174 A N 3.447 126.210 122.820 -0.094 0.000 2.168 174 A HA -0.095 4.225 4.320 -0.000 0.000 0.215 174 A C 1.172 178.481 177.584 -0.458 0.000 1.152 174 A CA 0.908 52.773 52.037 -0.286 0.000 0.716 174 A CB -0.088 18.861 19.000 -0.086 0.000 0.794 174 A HN 0.573 nan 8.150 nan 0.000 0.465 175 D N -0.973 119.277 120.400 -0.250 0.000 2.388 175 D HA 0.022 4.662 4.640 -0.000 0.000 0.221 175 D C 1.121 177.344 176.300 -0.129 0.000 1.133 175 D CA 0.754 54.644 54.000 -0.185 0.000 0.831 175 D CB -0.473 40.270 40.800 -0.095 0.000 0.962 175 D HN 0.347 nan 8.370 nan 0.000 0.502 176 S N -1.049 114.571 115.700 -0.132 0.000 2.556 176 S HA 0.159 4.629 4.470 -0.000 0.000 0.216 176 S C 0.189 174.953 174.600 0.273 0.000 0.970 176 S CA -0.587 57.645 58.200 0.053 0.000 0.912 176 S CB -0.670 62.556 63.200 0.044 0.000 0.790 176 S HN 0.432 nan 8.310 nan 0.000 0.504 177 Y N -1.083 119.368 120.300 0.251 0.000 2.609 177 Y HA 0.739 5.289 4.550 -0.000 0.000 0.342 177 Y C 0.216 176.288 175.900 0.287 0.000 1.058 177 Y CA -1.443 56.853 58.100 0.327 0.000 1.055 177 Y CB 0.221 38.986 38.460 0.509 0.000 1.292 177 Y HN -0.188 nan 8.280 nan 0.000 0.476 178 N N 0.155 119.177 118.700 0.536 0.000 2.405 178 N HA 0.131 4.871 4.740 -0.000 0.000 0.175 178 N C -0.760 175.020 175.510 0.449 0.000 1.051 178 N CA 0.404 53.712 53.050 0.429 0.000 0.899 178 N CB 0.350 39.167 38.487 0.550 0.000 1.000 178 N HN 0.516 nan 8.380 nan 0.000 0.451 179 K N -0.008 120.775 120.400 0.638 0.000 2.598 179 K HA 0.307 4.627 4.320 -0.000 0.000 0.271 179 K C -2.059 174.857 176.600 0.527 0.000 0.947 179 K CA -0.713 55.862 56.287 0.480 0.000 0.854 179 K CB 1.393 34.017 32.500 0.206 0.000 1.401 179 K HN -0.119 nan 8.250 nan 0.000 0.415 180 K N 1.853 122.444 120.400 0.318 0.000 2.378 180 K HA 0.802 5.122 4.320 -0.000 0.000 0.252 180 K C -0.872 175.749 176.600 0.035 0.000 0.931 180 K CA -0.738 55.543 56.287 -0.011 0.000 0.794 180 K CB 1.764 34.167 32.500 -0.161 0.000 1.181 180 K HN 0.706 nan 8.250 nan 0.000 0.425 181 G N 1.001 109.801 108.800 0.001 0.000 2.730 181 G HA2 0.609 4.569 3.960 -0.000 0.000 0.289 181 G HA3 0.609 4.569 3.960 -0.000 0.000 0.289 181 G C -1.345 173.541 174.900 -0.022 0.000 1.341 181 G CA -0.522 44.605 45.100 0.045 0.000 0.932 181 G HN 0.479 nan 8.290 nan 0.000 0.481 182 T N -0.707 113.850 114.554 0.006 0.000 2.893 182 T HA 0.623 4.973 4.350 -0.000 0.000 0.293 182 T C -1.343 173.355 174.700 -0.003 0.000 1.027 182 T CA -0.487 61.608 62.100 -0.008 0.000 0.988 182 T CB 1.905 70.767 68.868 -0.011 0.000 1.043 182 T HN 0.884 nan 8.240 nan 0.000 0.461 183 V N 2.411 122.313 119.914 -0.020 0.000 2.668 183 V HA 0.588 4.708 4.120 -0.000 0.000 0.304 183 V C -0.708 175.320 176.094 -0.109 0.000 1.071 183 V CA -0.339 61.927 62.300 -0.058 0.000 0.894 183 V CB 2.199 33.979 31.823 -0.071 0.000 1.008 183 V HN 0.968 nan 8.190 nan 0.000 0.425 184 T N 6.789 121.263 114.554 -0.133 0.000 2.743 184 T HA 0.546 4.896 4.350 -0.000 0.000 0.293 184 T C -0.085 174.388 174.700 -0.379 0.000 0.945 184 T CA 0.087 62.050 62.100 -0.230 0.000 1.030 184 T CB 0.945 69.700 68.868 -0.189 0.000 0.912 184 T HN 1.047 nan 8.240 nan 0.000 0.483 185 V N 2.153 121.779 119.914 -0.480 0.000 3.177 185 V HA 0.808 4.928 4.120 -0.000 0.000 0.319 185 V C -1.513 174.149 176.094 -0.720 0.000 1.125 185 V CA -1.090 60.883 62.300 -0.544 0.000 1.029 185 V CB 1.356 32.803 31.823 -0.628 0.000 1.119 185 V HN 0.714 nan 8.190 nan 0.000 0.452 186 Y N 0.259 120.486 120.300 -0.121 0.000 2.499 186 Y HA 0.656 5.206 4.550 -0.000 0.000 0.347 186 Y C -0.095 175.747 175.900 -0.098 0.000 0.987 186 Y CA -0.780 57.297 58.100 -0.039 0.000 1.044 186 Y CB 1.573 40.001 38.460 -0.054 0.000 1.245 186 Y HN 0.976 nan 8.280 nan 0.000 0.461 187 D N -1.278 119.187 120.400 0.109 0.000 2.529 187 D HA 0.251 4.891 4.640 -0.000 0.000 0.273 187 D C 0.534 176.864 176.300 0.050 0.000 1.197 187 D CA -0.674 53.347 54.000 0.036 0.000 1.070 187 D CB 0.633 41.482 40.800 0.082 0.000 1.134 187 D HN 0.333 nan 8.370 nan 0.000 0.590 188 S N -1.283 114.429 115.700 0.019 0.000 2.447 188 S HA -0.139 4.331 4.470 -0.000 0.000 0.233 188 S C 1.516 176.123 174.600 0.012 0.000 1.006 188 S CA 0.665 58.863 58.200 -0.004 0.000 0.957 188 S CB -0.280 62.916 63.200 -0.008 0.000 0.773 188 S HN 0.457 nan 8.310 nan 0.000 0.507 189 Q N -0.111 119.715 119.800 0.044 0.000 2.432 189 Q HA 0.104 4.444 4.340 -0.000 0.000 0.205 189 Q C 1.371 177.407 176.000 0.061 0.000 0.945 189 Q CA 0.562 56.392 55.803 0.046 0.000 0.924 189 Q CB 0.199 28.970 28.738 0.055 0.000 1.016 189 Q HN 0.681 nan 8.270 nan 0.000 0.503 190 G N 1.611 110.467 108.800 0.092 0.000 2.141 190 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.242 190 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.242 190 G C -0.051 174.995 174.900 0.242 0.000 0.982 190 G CA -0.150 45.031 45.100 0.135 0.000 0.662 190 G HN 0.243 nan 8.290 nan 0.000 0.527 191 N N 0.966 119.790 118.700 0.206 0.000 2.492 191 N HA 0.463 5.203 4.740 -0.000 0.000 0.260 191 N C 0.559 176.203 175.510 0.224 0.000 1.215 191 N CA 0.818 53.964 53.050 0.159 0.000 0.923 191 N CB 1.154 39.673 38.487 0.054 0.000 1.092 191 N HN 0.729 nan 8.380 nan 0.000 0.448 192 A N 2.637 125.507 122.820 0.084 0.000 2.328 192 A HA 0.238 4.558 4.320 -0.000 0.000 0.284 192 A C -0.352 177.150 177.584 -0.137 0.000 1.160 192 A CA -0.424 51.534 52.037 -0.131 0.000 0.818 192 A CB 0.172 19.103 19.000 -0.116 0.000 1.087 192 A HN 0.693 nan 8.150 nan 0.000 0.504 193 H N 2.323 121.235 119.070 -0.264 0.000 2.551 193 H HA 0.174 4.730 4.556 -0.000 0.000 0.321 193 H C -1.142 174.079 175.328 -0.177 0.000 1.028 193 H CA -0.861 55.088 56.048 -0.164 0.000 1.215 193 H CB 1.442 31.136 29.762 -0.113 0.000 1.414 193 H HN 0.633 nan 8.280 nan 0.000 0.480 194 D N 4.596 124.977 120.400 -0.031 0.000 2.402 194 D HA 0.073 4.713 4.640 -0.000 0.000 0.235 194 D C 0.369 176.673 176.300 0.006 0.000 1.226 194 D CA -0.175 53.806 54.000 -0.033 0.000 0.918 194 D CB 0.655 41.441 40.800 -0.023 0.000 1.043 194 D HN 0.292 nan 8.370 nan 0.000 0.506 195 M N 1.949 121.554 119.600 0.009 0.000 2.108 195 M HA 0.145 4.625 4.480 -0.000 0.000 0.347 195 M C 0.216 176.546 176.300 0.049 0.000 1.326 195 M CA -0.183 55.153 55.300 0.060 0.000 1.126 195 M CB -0.408 32.253 32.600 0.102 0.000 1.606 195 M HN 0.038 nan 8.290 nan 0.000 0.462 196 N N 1.694 120.440 118.700 0.077 0.000 2.499 196 N HA 0.509 5.249 4.740 -0.000 0.000 0.281 196 N C -0.997 174.495 175.510 -0.030 0.000 1.098 196 N CA -0.530 52.509 53.050 -0.019 0.000 0.979 196 N CB 1.708 40.209 38.487 0.022 0.000 1.121 196 N HN 0.328 nan 8.380 nan 0.000 0.466 197 V N 3.016 122.796 119.914 -0.225 0.000 2.444 197 V HA 0.342 4.462 4.120 -0.000 0.000 0.294 197 V C -1.160 174.702 176.094 -0.387 0.000 1.022 197 V CA -0.739 61.469 62.300 -0.153 0.000 0.850 197 V CB 0.380 32.203 31.823 0.001 0.000 0.992 197 V HN 0.567 nan 8.190 nan 0.000 0.426 198 Y N 3.908 124.091 120.300 -0.195 0.000 2.364 198 Y HA 0.704 5.254 4.550 -0.000 0.000 0.340 198 Y C -0.476 175.244 175.900 -0.300 0.000 0.975 198 Y CA -0.898 57.097 58.100 -0.174 0.000 1.089 198 Y CB 1.834 40.178 38.460 -0.194 0.000 1.192 198 Y HN 0.523 nan 8.280 nan 0.000 0.454 199 F N 2.360 122.459 119.950 0.249 0.000 2.411 199 F HA 0.624 5.151 4.527 -0.000 0.000 0.352 199 F C -0.529 175.517 175.800 0.410 0.000 1.123 199 F CA -1.133 57.036 58.000 0.281 0.000 1.044 199 F CB 1.374 40.506 39.000 0.221 0.000 1.135 199 F HN 0.057 nan 8.300 nan 0.000 0.461 200 V N 3.737 123.935 119.914 0.473 0.000 2.409 200 V HA 0.256 4.376 4.120 -0.000 0.000 0.290 200 V C -0.087 176.118 176.094 0.184 0.000 1.017 200 V CA -1.366 61.137 62.300 0.339 0.000 0.841 200 V CB 1.519 33.483 31.823 0.234 0.000 1.003 200 V HN 0.641 nan 8.190 nan 0.000 0.426 201 K N 2.612 122.967 120.400 -0.076 0.000 2.447 201 K HA 0.113 4.433 4.320 -0.000 0.000 0.281 201 K C 1.203 177.623 176.600 -0.299 0.000 1.031 201 K CA 0.675 56.580 56.287 -0.637 0.000 1.019 201 K CB 0.883 32.749 32.500 -1.055 0.000 0.918 201 K HN 0.908 nan 8.250 nan 0.000 0.476 202 T N 1.137 115.535 114.554 -0.261 0.000 3.039 202 T HA 0.067 4.417 4.350 -0.000 0.000 0.250 202 T C 0.170 174.791 174.700 -0.132 0.000 1.052 202 T CA 0.208 62.233 62.100 -0.125 0.000 1.125 202 T CB -0.034 68.796 68.868 -0.065 0.000 0.908 202 T HN 0.744 nan 8.240 nan 0.000 0.473 203 K N -0.263 120.027 120.400 -0.183 0.000 2.670 203 K HA 0.385 4.705 4.320 -0.000 0.000 0.289 203 K C -2.151 174.353 176.600 -0.160 0.000 1.045 203 K CA -1.093 55.113 56.287 -0.136 0.000 0.834 203 K CB -0.136 32.320 32.500 -0.074 0.000 1.531 203 K HN -0.241 nan 8.250 nan 0.000 0.376 204 D N 1.710 122.056 120.400 -0.089 0.000 2.586 204 D HA 0.036 4.676 4.640 -0.000 0.000 0.234 204 D C -0.076 176.223 176.300 -0.002 0.000 1.132 204 D CA 1.109 55.080 54.000 -0.049 0.000 0.860 204 D CB -0.148 40.645 40.800 -0.011 0.000 1.159 204 D HN 0.654 nan 8.370 nan 0.000 0.490 205 N N 1.125 119.862 118.700 0.061 0.000 2.778 205 N HA -0.225 4.515 4.740 -0.000 0.000 0.249 205 N C -0.675 175.030 175.510 0.326 0.000 1.069 205 N CA 1.030 54.230 53.050 0.250 0.000 0.831 205 N CB -0.811 37.801 38.487 0.208 0.000 1.142 205 N HN 0.640 nan 8.380 nan 0.000 0.573 206 E N -1.029 119.229 120.200 0.097 0.000 2.272 206 E HA 0.471 4.821 4.350 -0.000 0.000 0.269 206 E C -0.929 175.641 176.600 -0.049 0.000 0.877 206 E CA -0.541 55.935 56.400 0.126 0.000 0.755 206 E CB 1.175 30.891 29.700 0.028 0.000 1.192 206 E HN 0.101 nan 8.360 nan 0.000 0.422 207 W N 1.373 122.736 121.300 0.105 0.000 2.756 207 W HA 0.497 5.157 4.660 -0.000 0.000 0.333 207 W C -0.352 176.169 176.519 0.003 0.000 1.025 207 W CA -0.567 56.845 57.345 0.112 0.000 1.246 207 W CB 1.501 31.101 29.460 0.234 0.000 1.358 207 W HN 0.526 nan 8.180 nan 0.000 0.444 208 A N 2.265 125.161 122.820 0.127 0.000 2.388 208 A HA 0.721 5.041 4.320 -0.000 0.000 0.257 208 A C -0.695 176.789 177.584 -0.167 0.000 1.095 208 A CA -0.338 51.645 52.037 -0.089 0.000 0.791 208 A CB 0.525 19.433 19.000 -0.153 0.000 1.029 208 A HN 0.488 nan 8.150 nan 0.000 0.489 209 V N 3.021 122.692 119.914 -0.404 0.000 2.444 209 V HA 0.366 4.486 4.120 -0.000 0.000 0.294 209 V C -1.198 174.586 176.094 -0.517 0.000 1.022 209 V CA -0.323 61.694 62.300 -0.472 0.000 0.850 209 V CB 0.712 32.221 31.823 -0.523 0.000 0.992 209 V HN 0.772 nan 8.190 nan 0.000 0.426 210 Y N 2.266 122.396 120.300 -0.285 0.000 2.420 210 Y HA 0.718 5.268 4.550 -0.000 0.000 0.334 210 Y C 0.825 176.751 175.900 0.044 0.000 1.094 210 Y CA -0.634 57.382 58.100 -0.141 0.000 1.126 210 Y CB 2.244 40.512 38.460 -0.319 0.000 1.217 210 Y HN 0.710 nan 8.280 nan 0.000 0.462 211 T N -1.186 113.523 114.554 0.259 0.000 2.916 211 T HA 0.659 5.009 4.350 -0.000 0.000 0.292 211 T C -1.645 173.275 174.700 0.368 0.000 1.055 211 T CA -0.795 61.467 62.100 0.271 0.000 1.009 211 T CB 2.103 71.062 68.868 0.152 0.000 1.118 211 T HN 0.732 nan 8.240 nan 0.000 0.497 212 H N -0.026 119.179 119.070 0.225 0.000 3.129 212 H HA 0.404 4.960 4.556 -0.000 0.000 0.342 212 H C -1.988 173.439 175.328 0.165 0.000 1.092 212 H CA -0.449 55.717 56.048 0.196 0.000 1.310 212 H CB 1.769 31.672 29.762 0.234 0.000 1.932 212 H HN 0.696 nan 8.280 nan 0.000 0.507 213 D N 2.542 122.717 120.400 -0.375 0.000 2.374 213 D HA 0.064 4.704 4.640 -0.000 0.000 0.240 213 D C 0.779 176.863 176.300 -0.361 0.000 1.229 213 D CA 0.447 54.314 54.000 -0.221 0.000 0.895 213 D CB 0.705 41.462 40.800 -0.070 0.000 1.046 213 D HN 0.557 nan 8.370 nan 0.000 0.498 214 S N 1.551 117.182 115.700 -0.114 0.000 2.555 214 S HA -0.058 4.412 4.470 -0.000 0.000 0.230 214 S C 1.438 176.024 174.600 -0.024 0.000 0.978 214 S CA 0.161 58.362 58.200 0.003 0.000 0.934 214 S CB 0.165 63.423 63.200 0.096 0.000 0.766 214 S HN 0.212 nan 8.310 nan 0.000 0.533 215 S N 1.196 116.854 115.700 -0.070 0.000 2.556 215 S HA 0.191 4.661 4.470 -0.000 0.000 0.216 215 S C -0.064 174.468 174.600 -0.114 0.000 0.970 215 S CA -0.125 58.015 58.200 -0.100 0.000 0.912 215 S CB -0.023 63.073 63.200 -0.173 0.000 0.790 215 S HN 0.623 nan 8.310 nan 0.000 0.504 216 D N 1.683 122.028 120.400 -0.091 0.000 2.461 216 D HA 0.292 4.932 4.640 -0.000 0.000 0.240 216 D C -1.779 174.511 176.300 -0.016 0.000 1.094 216 D CA -2.255 51.709 54.000 -0.059 0.000 0.868 216 D CB 1.519 42.296 40.800 -0.038 0.000 1.062 216 D HN -0.046 nan 8.370 nan 0.000 0.530 217 P HA -0.061 nan 4.420 nan 0.000 0.222 217 P C 0.841 178.166 177.300 0.042 0.000 1.147 217 P CA 0.477 63.596 63.100 0.030 0.000 0.790 217 P CB 0.278 31.989 31.700 0.018 0.000 0.780 218 A N -0.433 122.406 122.820 0.032 0.000 2.238 218 A HA 0.396 4.716 4.320 -0.000 0.000 0.208 218 A C 1.328 178.947 177.584 0.059 0.000 1.177 218 A CA 0.208 52.269 52.037 0.039 0.000 0.804 218 A CB -0.784 18.233 19.000 0.028 0.000 0.823 218 A HN 0.256 nan 8.150 nan 0.000 0.482 219 A N 1.205 124.068 122.820 0.073 0.000 2.450 219 A HA 0.473 4.793 4.320 -0.000 0.000 0.255 219 A C 0.897 178.605 177.584 0.207 0.000 1.096 219 A CA 0.360 52.464 52.037 0.110 0.000 0.778 219 A CB -0.448 18.562 19.000 0.017 0.000 1.031 219 A HN 0.721 nan 8.150 nan 0.000 0.494 220 T N 0.830 115.479 114.554 0.159 0.000 2.930 220 T HA 0.496 4.846 4.350 -0.000 0.000 0.306 220 T C 0.459 175.243 174.700 0.140 0.000 1.045 220 T CA -0.099 62.074 62.100 0.121 0.000 1.134 220 T CB 0.730 69.645 68.868 0.079 0.000 0.961 220 T HN 1.452 nan 8.240 nan 0.000 0.545 221 A N 4.848 127.673 122.820 0.008 0.000 2.477 221 A HA 0.467 4.787 4.320 -0.000 0.000 0.246 221 A C -1.729 175.829 177.584 -0.044 0.000 1.078 221 A CA -1.399 50.545 52.037 -0.155 0.000 0.770 221 A CB -0.597 18.287 19.000 -0.195 0.000 1.011 221 A HN 0.806 nan 8.150 nan 0.000 0.494 222 P HA 0.133 nan 4.420 nan 0.000 0.276 222 P C 0.519 177.931 177.300 0.187 0.000 1.264 222 P CA 0.170 63.374 63.100 0.174 0.000 0.769 222 P CB 0.738 32.632 31.700 0.322 0.000 0.840 223 T N -0.988 113.679 114.554 0.190 0.000 2.985 223 T HA 0.111 4.461 4.350 -0.000 0.000 0.254 223 T C 0.648 175.534 174.700 0.310 0.000 1.021 223 T CA 0.163 62.377 62.100 0.192 0.000 0.957 223 T CB -0.032 68.891 68.868 0.091 0.000 1.047 223 T HN 0.429 nan 8.240 nan 0.000 0.511 224 T N 1.404 116.131 114.554 0.289 0.000 2.863 224 T HA 0.709 5.059 4.350 -0.000 0.000 0.285 224 T C -0.305 174.400 174.700 0.009 0.000 1.009 224 T CA -0.471 61.731 62.100 0.170 0.000 0.989 224 T CB 1.241 70.150 68.868 0.069 0.000 1.004 224 T HN 0.480 nan 8.240 nan 0.000 0.455 225 A N 3.323 125.944 122.820 -0.332 0.000 2.425 225 A HA 0.481 4.801 4.320 -0.000 0.000 0.249 225 A C 1.445 178.834 177.584 -0.325 0.000 1.084 225 A CA -0.145 51.454 52.037 -0.730 0.000 0.781 225 A CB 0.042 18.587 19.000 -0.758 0.000 1.019 225 A HN 0.945 nan 8.150 nan 0.000 0.490 226 S N -0.137 115.395 115.700 -0.280 0.000 2.395 226 S HA 0.085 4.555 4.470 -0.000 0.000 0.225 226 S C 0.967 175.488 174.600 -0.132 0.000 1.027 226 S CA 1.441 59.556 58.200 -0.141 0.000 0.965 226 S CB -0.062 63.090 63.200 -0.080 0.000 0.812 226 S HN 0.996 nan 8.310 nan 0.000 0.482 227 T N -0.113 114.332 114.554 -0.182 0.000 2.739 227 T HA 0.447 4.797 4.350 -0.000 0.000 0.303 227 T C -1.889 172.694 174.700 -0.195 0.000 1.389 227 T CA -0.494 61.517 62.100 -0.147 0.000 1.001 227 T CB 1.860 70.685 68.868 -0.072 0.000 1.436 227 T HN -0.056 nan 8.240 nan 0.000 0.500 228 T N 2.689 117.158 114.554 -0.143 0.000 2.840 228 T HA 0.548 4.898 4.350 -0.000 0.000 0.287 228 T C -0.566 174.072 174.700 -0.104 0.000 0.991 228 T CA -0.503 61.530 62.100 -0.111 0.000 0.964 228 T CB 0.567 69.387 68.868 -0.080 0.000 0.954 228 T HN 0.441 nan 8.240 nan 0.000 0.438 229 L N 3.961 125.135 121.223 -0.082 0.000 2.319 229 L HA 0.456 4.796 4.340 -0.000 0.000 0.280 229 L C 0.465 177.269 176.870 -0.109 0.000 1.099 229 L CA -0.339 54.395 54.840 -0.176 0.000 0.828 229 L CB 0.459 42.411 42.059 -0.178 0.000 1.150 229 L HN 0.377 nan 8.230 nan 0.000 0.442 230 K N 4.223 124.463 120.400 -0.267 0.000 2.323 230 K HA 0.561 4.881 4.320 -0.000 0.000 0.259 230 K C -1.243 175.176 176.600 -0.301 0.000 0.947 230 K CA -0.491 55.720 56.287 -0.126 0.000 0.819 230 K CB 1.923 34.387 32.500 -0.059 0.000 1.109 230 K HN 0.196 nan 8.250 nan 0.000 0.429 231 F N 1.852 121.865 119.950 0.105 0.000 2.492 231 F HA 0.230 4.757 4.527 -0.000 0.000 0.327 231 F C 0.920 176.759 175.800 0.065 0.000 1.079 231 F CA -0.954 57.094 58.000 0.081 0.000 0.967 231 F CB 1.128 40.188 39.000 0.100 0.000 1.169 231 F HN 0.568 nan 8.300 nan 0.000 0.472 232 N N 0.400 119.227 118.700 0.212 0.000 2.327 232 N HA 0.048 4.788 4.740 -0.000 0.000 0.257 232 N C 0.610 176.201 175.510 0.134 0.000 1.281 232 N CA -0.311 52.819 53.050 0.135 0.000 0.942 232 N CB 0.195 38.734 38.487 0.087 0.000 1.199 232 N HN 0.724 nan 8.380 nan 0.000 0.532 233 E N -1.214 119.039 120.200 0.088 0.000 2.209 233 E HA -0.155 4.195 4.350 -0.000 0.000 0.196 233 E C 0.312 176.951 176.600 0.064 0.000 0.993 233 E CA 0.937 57.379 56.400 0.070 0.000 0.819 233 E CB -0.053 29.677 29.700 0.049 0.000 0.745 233 E HN 0.459 nan 8.360 nan 0.000 0.477 234 N N -0.854 117.887 118.700 0.068 0.000 2.398 234 N HA 0.009 4.749 4.740 -0.000 0.000 0.188 234 N C 0.806 176.355 175.510 0.065 0.000 1.122 234 N CA 0.926 54.010 53.050 0.056 0.000 0.866 234 N CB 1.162 39.679 38.487 0.050 0.000 0.970 234 N HN 0.264 nan 8.380 nan 0.000 0.462 235 G N 0.783 109.645 108.800 0.103 0.000 2.141 235 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.242 235 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.242 235 G C 0.033 175.061 174.900 0.213 0.000 0.982 235 G CA -0.247 44.910 45.100 0.094 0.000 0.662 235 G HN 0.300 nan 8.290 nan 0.000 0.527 236 I N 0.599 121.308 120.570 0.230 0.000 2.472 236 I HA 0.382 4.552 4.170 -0.000 0.000 0.290 236 I C 0.838 177.111 176.117 0.261 0.000 1.016 236 I CA -1.079 60.358 61.300 0.228 0.000 1.348 236 I CB 1.235 39.305 38.000 0.116 0.000 1.417 236 I HN 0.095 nan 8.210 nan 0.000 0.521 237 L N 6.334 127.660 121.223 0.172 0.000 2.477 237 L HA 0.027 4.367 4.340 -0.000 0.000 0.272 237 L C 0.890 177.697 176.870 -0.105 0.000 1.157 237 L CA 0.941 55.686 54.840 -0.158 0.000 0.889 237 L CB 0.207 42.186 42.059 -0.132 0.000 1.158 237 L HN 0.707 nan 8.230 nan 0.000 0.473 238 E N 1.910 122.014 120.200 -0.160 0.000 2.330 238 E HA 0.161 4.511 4.350 -0.000 0.000 0.200 238 E C -0.301 176.250 176.600 -0.081 0.000 0.922 238 E CA 0.560 56.916 56.400 -0.075 0.000 0.935 238 E CB 0.507 30.182 29.700 -0.042 0.000 0.917 238 E HN 0.776 nan 8.360 nan 0.000 0.491 239 S N -2.566 113.056 115.700 -0.130 0.000 2.587 239 S HA 0.541 5.011 4.470 -0.000 0.000 0.269 239 S C 0.471 174.998 174.600 -0.121 0.000 1.154 239 S CA -0.338 57.805 58.200 -0.095 0.000 0.824 239 S CB 1.200 64.361 63.200 -0.065 0.000 1.118 239 S HN 0.428 nan 8.310 nan 0.000 0.462 240 G N 0.084 108.841 108.800 -0.071 0.000 2.157 240 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.248 240 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.248 240 G C 0.932 175.827 174.900 -0.009 0.000 0.979 240 G CA 0.316 45.379 45.100 -0.062 0.000 0.650 240 G HN 1.813 nan 8.290 nan 0.000 0.529 241 G N -0.890 107.926 108.800 0.027 0.000 2.744 241 G HA2 0.385 4.345 3.960 -0.000 0.000 0.211 241 G HA3 0.385 4.345 3.960 -0.000 0.000 0.211 241 G C 0.497 175.541 174.900 0.240 0.000 1.143 241 G CA 1.493 46.690 45.100 0.161 0.000 0.788 241 G HN 0.812 nan 8.290 nan 0.000 0.534 242 T N -0.483 114.151 114.554 0.134 0.000 2.928 242 T HA 0.521 4.871 4.350 -0.000 0.000 0.296 242 T C -1.516 173.217 174.700 0.054 0.000 1.000 242 T CA -0.400 61.748 62.100 0.081 0.000 0.989 242 T CB 2.612 71.500 68.868 0.033 0.000 1.005 242 T HN 0.051 nan 8.240 nan 0.000 0.442 243 V N 3.810 123.743 119.914 0.032 0.000 2.891 243 V HA 0.476 4.596 4.120 -0.000 0.000 0.304 243 V C -1.302 174.737 176.094 -0.092 0.000 1.171 243 V CA -0.933 61.360 62.300 -0.012 0.000 0.943 243 V CB 2.120 33.957 31.823 0.024 0.000 1.037 243 V HN 0.940 nan 8.190 nan 0.000 0.427 244 N N 6.587 125.216 118.700 -0.119 0.000 2.497 244 N HA 0.499 5.239 4.740 -0.000 0.000 0.271 244 N C -0.838 174.496 175.510 -0.293 0.000 1.142 244 N CA -0.351 52.577 53.050 -0.204 0.000 0.965 244 N CB 0.776 39.178 38.487 -0.141 0.000 1.077 244 N HN 0.477 nan 8.380 nan 0.000 0.462 245 I N 1.659 121.890 120.570 -0.565 0.000 2.474 245 I HA 0.267 4.437 4.170 -0.000 0.000 0.294 245 I C 0.102 175.877 176.117 -0.570 0.000 1.005 245 I CA -0.427 60.502 61.300 -0.618 0.000 1.113 245 I CB 1.679 39.121 38.000 -0.930 0.000 1.289 245 I HN 0.401 nan 8.210 nan 0.000 0.436 246 T N 4.323 118.713 114.554 -0.274 0.000 2.770 246 T HA 0.383 4.733 4.350 -0.000 0.000 0.283 246 T C 0.610 175.273 174.700 -0.063 0.000 0.988 246 T CA -0.473 61.540 62.100 -0.146 0.000 0.957 246 T CB 1.287 70.103 68.868 -0.086 0.000 0.930 246 T HN 0.782 nan 8.240 nan 0.000 0.443 247 T N 1.498 116.044 114.554 -0.013 0.000 2.667 247 T HA 0.487 4.837 4.350 -0.000 0.000 0.305 247 T C 1.205 175.931 174.700 0.042 0.000 1.022 247 T CA -0.432 61.679 62.100 0.019 0.000 0.995 247 T CB 0.288 69.067 68.868 -0.147 0.000 1.026 247 T HN 0.575 nan 8.240 nan 0.000 0.527 248 G N -0.111 108.757 108.800 0.113 0.000 2.516 248 G HA2 0.508 4.468 3.960 -0.000 0.000 0.276 248 G HA3 0.508 4.468 3.960 -0.000 0.000 0.276 248 G C -0.023 174.993 174.900 0.193 0.000 1.390 248 G CA -0.164 45.004 45.100 0.113 0.000 1.050 248 G HN 1.193 nan 8.290 nan 0.000 0.519 249 T N -2.492 112.143 114.554 0.135 0.000 2.887 249 T HA 0.701 5.051 4.350 -0.000 0.000 0.288 249 T C -0.505 174.225 174.700 0.050 0.000 1.021 249 T CA -0.659 61.523 62.100 0.136 0.000 1.000 249 T CB 1.806 70.719 68.868 0.074 0.000 1.034 249 T HN 0.335 nan 8.240 nan 0.000 0.467 250 I N 2.195 122.779 120.570 0.024 0.000 2.499 250 I HA 0.409 4.579 4.170 -0.000 0.000 0.288 250 I C 0.656 176.766 176.117 -0.012 0.000 1.048 250 I CA -0.864 60.401 61.300 -0.057 0.000 1.062 250 I CB 1.807 39.697 38.000 -0.183 0.000 1.238 250 I HN 0.977 nan 8.210 nan 0.000 0.426 251 N N 4.777 123.469 118.700 -0.013 0.000 2.714 251 N HA -0.222 4.518 4.740 -0.000 0.000 0.252 251 N C 0.890 176.407 175.510 0.012 0.000 1.014 251 N CA 0.771 53.821 53.050 -0.001 0.000 0.735 251 N CB -0.273 38.212 38.487 -0.003 0.000 0.924 251 N HN 1.214 nan 8.380 nan 0.000 0.540 252 G N -1.840 106.970 108.800 0.016 0.000 2.153 252 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.252 252 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.252 252 G C 0.137 175.054 174.900 0.028 0.000 0.994 252 G CA 0.847 45.959 45.100 0.020 0.000 0.698 252 G HN 1.022 nan 8.290 nan 0.000 0.521 253 A N -0.028 122.816 122.820 0.039 0.000 2.306 253 A HA 0.885 5.205 4.320 -0.000 0.000 0.330 253 A C 0.805 178.427 177.584 0.062 0.000 1.146 253 A CA 0.646 52.713 52.037 0.051 0.000 0.827 253 A CB 0.643 19.683 19.000 0.066 0.000 1.178 253 A HN 1.603 nan 8.150 nan 0.000 0.490 254 T N 0.122 114.705 114.554 0.049 0.000 2.926 254 T HA 0.529 4.879 4.350 -0.000 0.000 0.307 254 T C 0.549 175.276 174.700 0.046 0.000 1.059 254 T CA 0.011 62.134 62.100 0.039 0.000 1.122 254 T CB 0.674 69.555 68.868 0.021 0.000 0.972 254 T HN 1.433 nan 8.240 nan 0.000 0.545 255 A N 1.657 124.494 122.820 0.029 0.000 2.386 255 A HA 0.632 4.952 4.320 -0.000 0.000 0.246 255 A C 0.754 178.307 177.584 -0.052 0.000 1.089 255 A CA -0.375 51.657 52.037 -0.008 0.000 0.790 255 A CB -0.478 18.521 19.000 -0.001 0.000 1.042 255 A HN 1.443 nan 8.150 nan 0.000 0.497 256 A N 0.489 123.232 122.820 -0.128 0.000 2.310 256 A HA 0.638 4.958 4.320 -0.000 0.000 0.299 256 A C 0.163 177.778 177.584 0.052 0.000 1.147 256 A CA -0.192 51.823 52.037 -0.037 0.000 0.818 256 A CB 0.309 19.264 19.000 -0.074 0.000 1.096 256 A HN 0.803 nan 8.150 nan 0.000 0.495 257 T N 2.668 117.264 114.554 0.071 0.000 2.809 257 T HA 0.615 4.965 4.350 -0.000 0.000 0.284 257 T C -0.951 173.802 174.700 0.088 0.000 0.992 257 T CA -0.016 62.089 62.100 0.009 0.000 0.957 257 T CB 0.121 68.967 68.868 -0.036 0.000 0.942 257 T HN 0.665 nan 8.240 nan 0.000 0.439 258 F N -0.003 119.910 119.950 -0.061 0.000 2.613 258 F HA 0.795 5.322 4.527 -0.000 0.000 0.310 258 F C -0.172 175.596 175.800 -0.052 0.000 1.085 258 F CA -1.311 56.654 58.000 -0.057 0.000 0.945 258 F CB 1.288 40.248 39.000 -0.066 0.000 1.298 258 F HN 0.356 nan 8.300 nan 0.000 0.455 259 S N 2.558 118.308 115.700 0.083 0.000 2.474 259 S HA 0.493 4.963 4.470 -0.000 0.000 0.276 259 S C -0.845 173.823 174.600 0.113 0.000 1.227 259 S CA -0.476 57.733 58.200 0.014 0.000 1.050 259 S CB 0.214 63.424 63.200 0.017 0.000 0.939 259 S HN 0.695 nan 8.310 nan 0.000 0.490 260 L N 5.660 126.888 121.223 0.009 0.000 2.275 260 L HA 0.622 4.962 4.340 -0.000 0.000 0.288 260 L C -0.117 176.637 176.870 -0.193 0.000 1.046 260 L CA 0.313 55.132 54.840 -0.035 0.000 0.805 260 L CB 1.435 43.460 42.059 -0.056 0.000 1.193 260 L HN 0.615 nan 8.230 nan 0.000 0.426 261 S N 4.000 119.536 115.700 -0.275 0.000 2.473 261 S HA 0.547 5.017 4.470 -0.000 0.000 0.307 261 S C -0.029 174.345 174.600 -0.377 0.000 1.094 261 S CA -0.464 57.615 58.200 -0.201 0.000 1.070 261 S CB 0.530 63.686 63.200 -0.074 0.000 1.019 261 S HN 0.477 nan 8.310 nan 0.000 0.480 262 F N 3.274 123.254 119.950 0.050 0.000 2.647 262 F HA 0.377 4.904 4.527 -0.000 0.000 0.300 262 F C 0.910 176.739 175.800 0.047 0.000 1.106 262 F CA -0.496 57.545 58.000 0.068 0.000 1.313 262 F CB 0.282 39.336 39.000 0.090 0.000 1.007 262 F HN 0.402 nan 8.300 nan 0.000 0.536 263 L N 2.371 123.671 121.223 0.129 0.000 2.693 263 L HA -0.227 4.113 4.340 -0.000 0.000 0.292 263 L C 0.488 177.412 176.870 0.090 0.000 1.243 263 L CA 0.914 55.807 54.840 0.088 0.000 0.903 263 L CB 0.200 42.285 42.059 0.045 0.000 1.160 263 L HN 0.557 nan 8.230 nan 0.000 0.496 264 N N 1.007 119.760 118.700 0.088 0.000 2.965 264 N HA -0.169 4.571 4.740 -0.000 0.000 0.232 264 N C 0.055 175.623 175.510 0.096 0.000 0.913 264 N CA 1.151 54.247 53.050 0.077 0.000 0.981 264 N CB -0.958 37.559 38.487 0.050 0.000 1.077 264 N HN 0.536 nan 8.380 nan 0.000 0.589 265 S N 0.467 116.256 115.700 0.149 0.000 2.568 265 S HA 0.420 4.890 4.470 -0.000 0.000 0.282 265 S C 0.609 175.361 174.600 0.253 0.000 1.338 265 S CA 0.337 58.643 58.200 0.176 0.000 1.045 265 S CB 1.075 64.436 63.200 0.270 0.000 0.873 265 S HN 0.200 nan 8.310 nan 0.000 0.516 266 M N 1.705 121.356 119.600 0.086 0.000 2.575 266 M HA 0.309 4.789 4.480 -0.000 0.000 0.284 266 M C -1.009 174.976 176.300 -0.525 0.000 1.253 266 M CA -0.429 54.850 55.300 -0.035 0.000 0.861 266 M CB 2.473 35.049 32.600 -0.040 0.000 1.733 266 M HN 0.567 nan 8.290 nan 0.000 0.462 267 Q N 2.479 121.835 119.800 -0.741 0.000 2.372 267 Q HA 0.337 4.677 4.340 -0.000 0.000 0.259 267 Q C -1.327 174.500 176.000 -0.288 0.000 0.993 267 Q CA -0.385 54.999 55.803 -0.697 0.000 0.854 267 Q CB 1.315 29.554 28.738 -0.831 0.000 1.231 267 Q HN 0.588 nan 8.270 nan 0.000 0.462 268 Q N 2.326 121.996 119.800 -0.216 0.000 2.340 268 Q HA 0.115 4.455 4.340 -0.000 0.000 0.249 268 Q C 0.614 176.573 176.000 -0.068 0.000 0.957 268 Q CA -0.488 55.246 55.803 -0.114 0.000 0.882 268 Q CB 0.849 29.527 28.738 -0.100 0.000 1.235 268 Q HN 0.646 nan 8.270 nan 0.000 0.439 269 N N 0.266 118.943 118.700 -0.037 0.000 2.104 269 N HA -0.108 4.632 4.740 -0.000 0.000 0.190 269 N C 0.386 175.891 175.510 -0.009 0.000 1.024 269 N CA 1.257 54.298 53.050 -0.014 0.000 0.853 269 N CB 0.150 38.633 38.487 -0.007 0.000 1.008 269 N HN 0.498 nan 8.380 nan 0.000 0.424 270 T N -1.143 113.401 114.554 -0.016 0.000 3.105 270 T HA 0.607 4.957 4.350 -0.000 0.000 0.321 270 T C -0.516 174.172 174.700 -0.020 0.000 1.135 270 T CA -0.138 61.956 62.100 -0.010 0.000 1.053 270 T CB 1.345 70.211 68.868 -0.004 0.000 1.133 270 T HN 0.368 nan 8.240 nan 0.000 0.463 271 G N 1.786 110.576 108.800 -0.018 0.000 2.323 271 G HA2 0.649 4.609 3.960 -0.000 0.000 0.291 271 G HA3 0.649 4.609 3.960 -0.000 0.000 0.291 271 G C -1.493 173.395 174.900 -0.020 0.000 1.278 271 G CA -0.065 45.019 45.100 -0.025 0.000 0.860 271 G HN 1.122 nan 8.290 nan 0.000 0.504 272 A N -0.210 122.593 122.820 -0.028 0.000 2.337 272 A HA 0.728 5.048 4.320 -0.000 0.000 0.329 272 A C -0.078 177.472 177.584 -0.056 0.000 1.146 272 A CA -0.719 51.305 52.037 -0.022 0.000 0.800 272 A CB 0.746 19.741 19.000 -0.009 0.000 1.220 272 A HN 0.600 nan 8.150 nan 0.000 0.472 273 N N 2.055 120.721 118.700 -0.057 0.000 2.359 273 N HA 0.082 4.822 4.740 -0.000 0.000 0.261 273 N C -0.619 174.825 175.510 -0.109 0.000 1.267 273 N CA 0.851 53.824 53.050 -0.128 0.000 0.864 273 N CB 0.185 38.616 38.487 -0.094 0.000 1.063 273 N HN 0.707 nan 8.380 nan 0.000 0.474 274 N N 1.878 120.485 118.700 -0.155 0.000 2.493 274 N HA 0.320 5.060 4.740 -0.000 0.000 0.279 274 N C -1.552 173.886 175.510 -0.119 0.000 1.082 274 N CA -0.468 52.520 53.050 -0.105 0.000 0.963 274 N CB 1.049 39.491 38.487 -0.074 0.000 1.627 274 N HN 0.318 nan 8.380 nan 0.000 0.499 275 I N 3.442 123.964 120.570 -0.080 0.000 2.352 275 I HA 0.154 4.324 4.170 -0.000 0.000 0.290 275 I C 1.021 177.120 176.117 -0.030 0.000 1.036 275 I CA -0.385 60.883 61.300 -0.054 0.000 1.336 275 I CB 1.284 39.277 38.000 -0.013 0.000 1.407 275 I HN 0.424 nan 8.210 nan 0.000 0.497 276 V N 5.914 125.812 119.914 -0.027 0.000 2.825 276 V HA 0.252 4.372 4.120 -0.000 0.000 0.246 276 V C 0.757 176.848 176.094 -0.005 0.000 1.068 276 V CA 0.921 63.211 62.300 -0.017 0.000 1.088 276 V CB 0.019 31.829 31.823 -0.020 0.000 0.733 276 V HN 0.848 nan 8.190 nan 0.000 0.468 277 A N -0.339 122.483 122.820 0.002 0.000 2.566 277 A HA 0.688 5.008 4.320 -0.000 0.000 0.297 277 A C -0.366 177.223 177.584 0.008 0.000 1.059 277 A CA 0.147 52.187 52.037 0.005 0.000 0.691 277 A CB 1.551 20.553 19.000 0.004 0.000 1.282 277 A HN 0.230 nan 8.150 nan 0.000 0.401 278 T N -0.314 114.241 114.554 0.003 0.000 2.906 278 T HA 0.846 5.196 4.350 -0.000 0.000 0.295 278 T C -0.845 173.847 174.700 -0.013 0.000 1.075 278 T CA -0.810 61.286 62.100 -0.007 0.000 1.005 278 T CB 2.059 70.924 68.868 -0.005 0.000 1.136 278 T HN 0.713 nan 8.240 nan 0.000 0.498 279 N N 0.478 119.162 118.700 -0.027 0.000 2.591 279 N HA 0.536 5.276 4.740 -0.000 0.000 0.263 279 N C -1.850 173.632 175.510 -0.046 0.000 1.308 279 N CA -0.443 52.594 53.050 -0.022 0.000 0.837 279 N CB 2.823 41.303 38.487 -0.011 0.000 1.548 279 N HN 1.012 nan 8.380 nan 0.000 0.493 280 Q N -0.293 119.489 119.800 -0.030 0.000 2.578 280 Q HA 0.420 4.760 4.340 -0.000 0.000 0.284 280 Q C -0.962 175.045 176.000 0.011 0.000 0.960 280 Q CA -0.752 55.017 55.803 -0.056 0.000 0.809 280 Q CB 0.506 29.161 28.738 -0.139 0.000 1.462 280 Q HN 0.458 nan 8.270 nan 0.000 0.392 281 N N -0.573 118.132 118.700 0.008 0.000 2.214 281 N HA 0.247 4.987 4.740 -0.000 0.000 0.214 281 N C -0.200 175.353 175.510 0.070 0.000 1.132 281 N CA 0.388 53.474 53.050 0.059 0.000 0.856 281 N CB 0.894 39.404 38.487 0.037 0.000 1.020 281 N HN 0.708 nan 8.380 nan 0.000 0.509 282 G N -0.200 108.634 108.800 0.058 0.000 2.491 282 G HA2 0.613 4.573 3.960 -0.000 0.000 0.327 282 G HA3 0.613 4.573 3.960 -0.000 0.000 0.327 282 G C -1.334 173.561 174.900 -0.010 0.000 1.189 282 G CA -0.627 44.442 45.100 -0.051 0.000 0.956 282 G HN 0.335 nan 8.290 nan 0.000 0.491 283 Y N -2.417 117.714 120.300 -0.281 0.000 2.741 283 Y HA 0.557 5.107 4.550 -0.000 0.000 0.339 283 Y C -0.489 175.051 175.900 -0.600 0.000 1.226 283 Y CA -1.770 55.918 58.100 -0.687 0.000 1.072 283 Y CB 0.780 39.037 38.460 -0.337 0.000 1.331 283 Y HN 0.759 nan 8.280 nan 0.000 0.453 284 K N 0.639 120.791 120.400 -0.413 0.000 2.118 284 K HA 0.592 4.912 4.320 -0.000 0.000 0.264 284 K C -2.812 173.803 176.600 0.025 0.000 1.000 284 K CA -1.743 54.444 56.287 -0.166 0.000 0.929 284 K CB 0.935 33.362 32.500 -0.122 0.000 1.021 284 K HN 0.341 nan 8.250 nan 0.000 0.463 285 P HA 0.032 nan 4.420 nan 0.000 0.256 285 P C -0.587 176.738 177.300 0.042 0.000 1.189 285 P CA 0.156 63.292 63.100 0.059 0.000 0.808 285 P CB 0.329 32.050 31.700 0.036 0.000 0.793 286 G N 2.395 111.222 108.800 0.045 0.000 2.638 286 G HA2 0.372 4.332 3.960 -0.000 0.000 0.302 286 G HA3 0.372 4.332 3.960 -0.000 0.000 0.302 286 G C -1.153 173.751 174.900 0.007 0.000 1.365 286 G CA -0.634 44.472 45.100 0.010 0.000 0.987 286 G HN 0.209 nan 8.290 nan 0.000 0.495 287 D N -0.044 120.360 120.400 0.008 0.000 2.419 287 D HA 0.281 4.921 4.640 -0.000 0.000 0.236 287 D C 0.885 177.184 176.300 -0.001 0.000 1.165 287 D CA 0.118 54.125 54.000 0.012 0.000 0.882 287 D CB 1.704 42.508 40.800 0.006 0.000 1.201 287 D HN 0.323 nan 8.370 nan 0.000 0.443 288 L N 1.609 122.835 121.223 0.004 0.000 2.666 288 L HA 0.489 4.829 4.340 -0.000 0.000 0.213 288 L C 0.269 177.102 176.870 -0.062 0.000 1.734 288 L CA 0.007 54.833 54.840 -0.024 0.000 2.979 288 L CB 0.195 42.234 42.059 -0.032 0.000 2.784 288 L HN 0.360 nan 8.230 nan 0.000 0.797 289 V N -2.312 117.529 119.914 -0.121 0.000 5.044 289 V HA 0.412 4.532 4.120 -0.000 0.000 0.132 289 V C -0.136 175.886 176.094 -0.121 0.000 1.180 289 V CA 0.336 62.568 62.300 -0.113 0.000 1.156 289 V CB 0.457 32.211 31.823 -0.114 0.000 1.523 289 V HN 0.715 nan 8.190 nan 0.000 0.618 290 S N 0.393 115.998 115.700 -0.158 0.000 2.671 290 S HA 0.865 5.335 4.470 -0.000 0.000 0.277 290 S C -1.460 173.071 174.600 -0.115 0.000 1.165 290 S CA -0.540 57.545 58.200 -0.191 0.000 0.822 290 S CB 2.415 65.493 63.200 -0.203 0.000 1.150 290 S HN 0.856 nan 8.310 nan 0.000 0.479 291 Y N -1.214 119.016 120.300 -0.116 0.000 2.615 291 Y HA 0.835 5.385 4.550 -0.000 0.000 0.341 291 Y C -0.873 174.994 175.900 -0.055 0.000 1.089 291 Y CA -1.068 56.974 58.100 -0.096 0.000 1.049 291 Y CB 1.134 39.540 38.460 -0.091 0.000 1.296 291 Y HN 1.001 nan 8.280 nan 0.000 0.470 292 Q N 1.379 121.240 119.800 0.101 0.000 2.418 292 Q HA 0.702 5.042 4.340 -0.000 0.000 0.282 292 Q C -2.023 174.024 176.000 0.078 0.000 1.044 292 Q CA -0.995 54.831 55.803 0.038 0.000 0.813 292 Q CB 3.039 31.775 28.738 -0.004 0.000 1.428 292 Q HN 0.831 nan 8.270 nan 0.000 0.402 293 I N 2.486 123.094 120.570 0.063 0.000 2.355 293 I HA 0.329 4.499 4.170 -0.000 0.000 0.288 293 I C -0.433 175.716 176.117 0.054 0.000 0.999 293 I CA -0.911 60.427 61.300 0.063 0.000 1.163 293 I CB 1.300 39.344 38.000 0.073 0.000 1.316 293 I HN 0.544 nan 8.210 nan 0.000 0.454 294 N N 4.085 122.816 118.700 0.051 0.000 2.347 294 N HA 0.052 4.792 4.740 -0.000 0.000 0.253 294 N C 0.882 176.424 175.510 0.054 0.000 1.274 294 N CA -0.253 52.824 53.050 0.046 0.000 0.941 294 N CB 0.413 38.925 38.487 0.042 0.000 1.200 294 N HN 0.594 nan 8.380 nan 0.000 0.514 295 N N -0.320 118.409 118.700 0.048 0.000 2.515 295 N HA -0.127 4.613 4.740 -0.000 0.000 0.185 295 N C 0.032 175.574 175.510 0.053 0.000 1.109 295 N CA 0.594 53.675 53.050 0.051 0.000 0.903 295 N CB -0.123 38.389 38.487 0.042 0.000 0.969 295 N HN 0.502 nan 8.380 nan 0.000 0.450 296 D N -1.933 118.499 120.400 0.053 0.000 2.342 296 D HA 0.208 4.848 4.640 -0.000 0.000 0.221 296 D C 1.205 177.540 176.300 0.059 0.000 1.101 296 D CA 0.050 54.083 54.000 0.056 0.000 0.837 296 D CB -0.473 40.360 40.800 0.055 0.000 0.938 296 D HN 0.262 nan 8.370 nan 0.000 0.508 297 G N 0.688 109.527 108.800 0.064 0.000 2.184 297 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.264 297 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.264 297 G C 0.541 175.473 174.900 0.054 0.000 0.975 297 G CA 0.619 45.760 45.100 0.069 0.000 0.642 297 G HN 0.783 nan 8.290 nan 0.000 0.536 298 T N -1.119 113.468 114.554 0.056 0.000 2.928 298 T HA 0.499 4.849 4.350 -0.000 0.000 0.305 298 T C 0.206 174.933 174.700 0.045 0.000 1.035 298 T CA -0.001 62.130 62.100 0.052 0.000 1.145 298 T CB 2.323 71.223 68.868 0.053 0.000 0.963 298 T HN 0.858 nan 8.240 nan 0.000 0.545 299 V N 4.038 123.975 119.914 0.038 0.000 2.370 299 V HA 0.536 4.656 4.120 -0.000 0.000 0.283 299 V C -0.043 176.082 176.094 0.053 0.000 1.023 299 V CA -0.764 61.559 62.300 0.038 0.000 0.857 299 V CB 1.418 33.243 31.823 0.005 0.000 0.985 299 V HN 0.895 nan 8.190 nan 0.000 0.443 300 V N 3.519 123.475 119.914 0.070 0.000 2.588 300 V HA 0.753 4.873 4.120 -0.000 0.000 0.304 300 V C 0.577 176.725 176.094 0.090 0.000 1.042 300 V CA -0.443 61.905 62.300 0.080 0.000 0.877 300 V CB 2.109 33.971 31.823 0.066 0.000 0.996 300 V HN 0.935 nan 8.190 nan 0.000 0.425 301 G N 2.651 111.517 108.800 0.111 0.000 2.377 301 G HA2 0.501 4.461 3.960 -0.000 0.000 0.299 301 G HA3 0.501 4.461 3.960 -0.000 0.000 0.299 301 G C -0.620 174.252 174.900 -0.048 0.000 1.150 301 G CA -0.525 44.571 45.100 -0.007 0.000 0.847 301 G HN 0.602 nan 8.290 nan 0.000 0.501 302 N N 0.451 118.985 118.700 -0.278 0.000 2.372 302 N HA 0.420 5.160 4.740 -0.000 0.000 0.285 302 N C -1.391 173.907 175.510 -0.352 0.000 1.008 302 N CA -0.275 52.684 53.050 -0.152 0.000 0.880 302 N CB 2.011 40.440 38.487 -0.096 0.000 1.239 302 N HN 0.418 nan 8.380 nan 0.000 0.484 303 Y N -0.472 119.804 120.300 -0.039 0.000 2.562 303 Y HA 0.202 4.752 4.550 -0.000 0.000 0.343 303 Y C 1.687 177.518 175.900 -0.115 0.000 1.025 303 Y CA -1.044 57.014 58.100 -0.070 0.000 1.082 303 Y CB 1.291 39.704 38.460 -0.077 0.000 1.264 303 Y HN 0.509 nan 8.280 nan 0.000 0.478 304 S N -0.503 115.201 115.700 0.006 0.000 2.555 304 S HA -0.135 4.335 4.470 -0.000 0.000 0.230 304 S C 0.780 175.250 174.600 -0.215 0.000 0.978 304 S CA 0.946 59.088 58.200 -0.097 0.000 0.934 304 S CB -0.636 62.506 63.200 -0.096 0.000 0.766 304 S HN 0.772 nan 8.310 nan 0.000 0.533 305 N N 1.293 119.803 118.700 -0.317 0.000 2.370 305 N HA 0.012 4.752 4.740 -0.000 0.000 0.198 305 N C -0.233 175.166 175.510 -0.186 0.000 1.156 305 N CA 0.322 53.080 53.050 -0.487 0.000 0.839 305 N CB -0.633 37.342 38.487 -0.852 0.000 0.989 305 N HN 0.240 nan 8.380 nan 0.000 0.468 306 E N -1.184 118.961 120.200 -0.092 0.000 2.791 306 E HA -0.184 4.166 4.350 -0.000 0.000 0.271 306 E C -0.770 175.830 176.600 0.001 0.000 1.044 306 E CA 0.799 57.181 56.400 -0.031 0.000 0.814 306 E CB -1.727 27.957 29.700 -0.026 0.000 1.400 306 E HN 0.634 nan 8.360 nan 0.000 0.423 307 Q N -0.266 119.546 119.800 0.019 0.000 2.359 307 Q HA 0.688 5.028 4.340 -0.000 0.000 0.275 307 Q C -0.007 176.073 176.000 0.132 0.000 1.082 307 Q CA -0.567 55.263 55.803 0.044 0.000 0.849 307 Q CB 1.626 30.366 28.738 0.004 0.000 1.377 307 Q HN 0.009 nan 8.270 nan 0.000 0.452 308 E N 0.410 120.681 120.200 0.118 0.000 2.369 308 E HA 0.494 4.844 4.350 -0.000 0.000 0.270 308 E C -1.153 175.533 176.600 0.142 0.000 0.909 308 E CA -0.577 55.938 56.400 0.190 0.000 0.775 308 E CB 2.030 31.798 29.700 0.113 0.000 1.270 308 E HN 0.228 nan 8.360 nan 0.000 0.445 309 Q N 0.394 120.325 119.800 0.220 0.000 2.305 309 Q HA 0.444 4.784 4.340 -0.000 0.000 0.271 309 Q C -1.224 174.852 176.000 0.127 0.000 1.046 309 Q CA -0.943 54.934 55.803 0.124 0.000 0.798 309 Q CB 3.120 31.908 28.738 0.083 0.000 1.286 309 Q HN 0.393 nan 8.270 nan 0.000 0.435 310 V N 4.969 124.928 119.914 0.075 0.000 2.572 310 V HA 0.081 4.201 4.120 -0.000 0.000 0.291 310 V C 0.333 176.462 176.094 0.058 0.000 1.039 310 V CA 0.703 63.041 62.300 0.064 0.000 1.055 310 V CB 0.311 32.162 31.823 0.047 0.000 0.969 310 V HN 0.809 nan 8.190 nan 0.000 0.482 311 L N 6.312 127.567 121.223 0.052 0.000 2.701 311 L HA 0.618 4.958 4.340 -0.000 0.000 0.238 311 L C 0.872 177.751 176.870 0.015 0.000 1.106 311 L CA 0.615 55.475 54.840 0.034 0.000 0.898 311 L CB 0.282 42.356 42.059 0.025 0.000 1.188 311 L HN 0.872 nan 8.230 nan 0.000 0.508 312 G N -0.022 108.791 108.800 0.023 0.000 2.324 312 G HA2 0.229 4.189 3.960 -0.000 0.000 0.293 312 G HA3 0.229 4.189 3.960 -0.000 0.000 0.293 312 G C -2.112 172.808 174.900 0.035 0.000 1.297 312 G CA -0.546 44.567 45.100 0.023 0.000 0.853 312 G HN -0.109 nan 8.290 nan 0.000 0.535 313 Q N -0.123 119.701 119.800 0.041 0.000 2.263 313 Q HA 0.541 4.881 4.340 -0.000 0.000 0.262 313 Q C -0.731 175.256 176.000 -0.021 0.000 0.984 313 Q CA -0.784 55.049 55.803 0.051 0.000 0.813 313 Q CB 1.653 30.474 28.738 0.138 0.000 1.299 313 Q HN 0.623 nan 8.270 nan 0.000 0.428 314 I N 3.639 124.192 120.570 -0.029 0.000 2.710 314 I HA 0.051 4.221 4.170 -0.000 0.000 0.286 314 I C 0.392 176.450 176.117 -0.099 0.000 1.181 314 I CA -0.160 61.110 61.300 -0.051 0.000 1.430 314 I CB 0.632 38.662 38.000 0.050 0.000 1.367 314 I HN 0.419 nan 8.210 nan 0.000 0.577 315 V N 5.676 125.483 119.914 -0.179 0.000 2.612 315 V HA 0.601 4.721 4.120 -0.000 0.000 0.301 315 V C -0.278 175.698 176.094 -0.197 0.000 1.046 315 V CA -0.854 61.287 62.300 -0.265 0.000 0.946 315 V CB 1.562 33.134 31.823 -0.418 0.000 1.003 315 V HN 0.509 nan 8.190 nan 0.000 0.459 316 L N 3.093 124.079 121.223 -0.396 0.000 2.334 316 L HA 0.949 5.289 4.340 -0.000 0.000 0.270 316 L C 0.278 176.870 176.870 -0.462 0.000 1.018 316 L CA -0.668 53.829 54.840 -0.571 0.000 0.811 316 L CB 1.921 43.287 42.059 -1.155 0.000 1.271 316 L HN 0.968 nan 8.230 nan 0.000 0.443 317 A N 1.846 124.588 122.820 -0.129 0.000 2.413 317 A HA 0.718 5.038 4.320 -0.000 0.000 0.307 317 A C -1.219 176.466 177.584 0.169 0.000 1.087 317 A CA -0.586 51.466 52.037 0.025 0.000 0.750 317 A CB 1.514 20.501 19.000 -0.021 0.000 1.296 317 A HN 0.843 nan 8.150 nan 0.000 0.423 318 N N -0.461 118.214 118.700 -0.042 0.000 2.262 318 N HA 0.749 5.489 4.740 -0.000 0.000 0.295 318 N C -1.793 173.409 175.510 -0.513 0.000 1.161 318 N CA -0.350 52.666 53.050 -0.057 0.000 0.767 318 N CB 1.688 40.162 38.487 -0.021 0.000 1.499 318 N HN 0.488 nan 8.380 nan 0.000 0.476 319 F N 0.366 120.297 119.950 -0.032 0.000 2.561 319 F HA 0.496 5.023 4.527 -0.000 0.000 0.321 319 F C 1.109 176.869 175.800 -0.066 0.000 1.065 319 F CA -0.699 57.248 58.000 -0.089 0.000 0.934 319 F CB 1.575 40.475 39.000 -0.166 0.000 1.215 319 F HN 0.563 nan 8.300 nan 0.000 0.471 320 A N 1.349 124.232 122.820 0.105 0.000 1.933 320 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 320 A C 0.778 178.388 177.584 0.043 0.000 1.175 320 A CA 1.891 53.956 52.037 0.045 0.000 0.628 320 A CB -0.512 18.504 19.000 0.026 0.000 0.814 320 A HN 0.635 nan 8.150 nan 0.000 0.444 321 N N -0.814 117.920 118.700 0.056 0.000 2.664 321 N HA 0.217 4.957 4.740 -0.000 0.000 0.257 321 N C -0.249 175.228 175.510 -0.054 0.000 1.108 321 N CA -0.302 52.749 53.050 0.001 0.000 0.822 321 N CB -0.045 38.435 38.487 -0.012 0.000 1.199 321 N HN 0.286 nan 8.380 nan 0.000 0.529 322 N N 0.918 119.582 118.700 -0.059 0.000 2.223 322 N HA -0.165 4.575 4.740 -0.000 0.000 0.185 322 N C 1.050 176.418 175.510 -0.237 0.000 1.016 322 N CA 0.469 53.412 53.050 -0.178 0.000 0.863 322 N CB 0.174 38.602 38.487 -0.099 0.000 0.983 322 N HN 0.583 nan 8.380 nan 0.000 0.429 323 E N 1.127 121.250 120.200 -0.129 0.000 2.265 323 E HA -0.119 4.231 4.350 -0.000 0.000 0.196 323 E C 1.677 178.234 176.600 -0.072 0.000 0.996 323 E CA 0.735 57.083 56.400 -0.087 0.000 0.832 323 E CB -0.116 29.560 29.700 -0.040 0.000 0.756 323 E HN 0.434 nan 8.360 nan 0.000 0.491 324 G N 0.608 109.347 108.800 -0.102 0.000 2.813 324 G HA2 0.055 4.015 3.960 -0.000 0.000 0.209 324 G HA3 0.055 4.015 3.960 -0.000 0.000 0.209 324 G C 0.843 175.679 174.900 -0.106 0.000 1.150 324 G CA -0.339 44.712 45.100 -0.082 0.000 0.785 324 G HN 0.089 nan 8.290 nan 0.000 0.535 325 L N 1.249 122.358 121.223 -0.191 0.000 2.426 325 L HA 0.434 4.774 4.340 -0.000 0.000 0.271 325 L C 0.701 177.666 176.870 0.159 0.000 1.169 325 L CA -0.682 54.051 54.840 -0.178 0.000 0.836 325 L CB 1.177 42.961 42.059 -0.458 0.000 1.112 325 L HN 0.073 nan 8.230 nan 0.000 0.465 326 A N 2.732 125.650 122.820 0.162 0.000 2.302 326 A HA 0.318 4.638 4.320 -0.000 0.000 0.295 326 A C 0.201 177.880 177.584 0.159 0.000 1.235 326 A CA -0.258 51.875 52.037 0.159 0.000 0.876 326 A CB 0.668 19.718 19.000 0.084 0.000 1.133 326 A HN 0.631 nan 8.150 nan 0.000 0.533 327 S N 1.752 117.453 115.700 0.003 0.000 2.516 327 S HA 0.115 4.585 4.470 -0.000 0.000 0.282 327 S C 0.692 175.122 174.600 -0.284 0.000 1.286 327 S CA -0.223 57.688 58.200 -0.481 0.000 1.066 327 S CB 0.266 63.128 63.200 -0.563 0.000 0.884 327 S HN 0.643 nan 8.310 nan 0.000 0.491 328 Q N 3.092 122.694 119.800 -0.330 0.000 2.247 328 Q HA 0.264 4.604 4.340 -0.000 0.000 0.204 328 Q C 1.040 176.912 176.000 -0.212 0.000 0.872 328 Q CA 0.540 56.232 55.803 -0.185 0.000 0.951 328 Q CB 0.254 28.921 28.738 -0.118 0.000 1.099 328 Q HN 1.054 nan 8.270 nan 0.000 0.501 329 G N 1.726 110.358 108.800 -0.280 0.000 2.730 329 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.686 329 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.686 329 G C -0.446 174.325 174.900 -0.215 0.000 1.343 329 G CA -0.420 44.549 45.100 -0.218 0.000 0.826 329 G HN 0.229 nan 8.290 nan 0.000 0.582 330 D N -0.731 119.578 120.400 -0.152 0.000 3.254 330 D HA -0.252 4.388 4.640 -0.000 0.000 0.216 330 D C 0.688 176.899 176.300 -0.148 0.000 1.556 330 D CA 1.374 55.306 54.000 -0.113 0.000 1.105 330 D CB -0.550 40.198 40.800 -0.086 0.000 0.682 330 D HN 0.883 nan 8.370 nan 0.000 0.810 331 N N 0.322 118.982 118.700 -0.065 0.000 2.635 331 N HA 0.317 5.057 4.740 -0.000 0.000 0.307 331 N C -1.277 174.262 175.510 0.048 0.000 1.433 331 N CA -0.016 53.046 53.050 0.020 0.000 0.973 331 N CB 0.221 38.818 38.487 0.184 0.000 1.304 331 N HN 0.161 nan 8.380 nan 0.000 0.507 332 V N 0.716 120.493 119.914 -0.230 0.000 2.581 332 V HA 0.596 4.716 4.120 -0.000 0.000 0.303 332 V C -0.732 175.152 176.094 -0.351 0.000 1.041 332 V CA -0.581 61.677 62.300 -0.070 0.000 0.907 332 V CB 1.481 33.284 31.823 -0.034 0.000 0.994 332 V HN 0.195 nan 8.190 nan 0.000 0.442 333 W N 1.533 122.922 121.300 0.149 0.000 3.033 333 W HA 0.800 5.460 4.660 -0.000 0.000 0.336 333 W C -0.293 176.326 176.519 0.168 0.000 1.173 333 W CA -0.531 56.847 57.345 0.055 0.000 1.185 333 W CB 2.064 31.421 29.460 -0.173 0.000 1.425 333 W HN 0.671 nan 8.180 nan 0.000 0.536 334 A N 1.330 124.348 122.820 0.330 0.000 2.355 334 A HA 0.918 5.238 4.320 -0.000 0.000 0.324 334 A C -0.466 177.147 177.584 0.048 0.000 1.117 334 A CA -0.732 51.457 52.037 0.253 0.000 0.785 334 A CB 0.820 19.943 19.000 0.206 0.000 1.254 334 A HN 0.893 nan 8.150 nan 0.000 0.453 335 A N 1.100 123.946 122.820 0.043 0.000 2.386 335 A HA 0.678 4.998 4.320 -0.000 0.000 0.248 335 A C 0.713 178.276 177.584 -0.035 0.000 1.082 335 A CA 0.597 52.569 52.037 -0.107 0.000 0.789 335 A CB -0.099 18.961 19.000 0.101 0.000 1.025 335 A HN 1.858 nan 8.150 nan 0.000 0.490 336 T N -1.676 112.841 114.554 -0.061 0.000 2.804 336 T HA 0.377 4.727 4.350 -0.000 0.000 0.290 336 T C 0.736 175.432 174.700 -0.006 0.000 1.099 336 T CA -0.284 61.804 62.100 -0.021 0.000 1.011 336 T CB 1.269 70.122 68.868 -0.026 0.000 1.291 336 T HN 0.585 nan 8.240 nan 0.000 0.523 337 Q N -0.232 119.569 119.800 0.002 0.000 2.124 337 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 337 Q C 2.275 178.276 176.000 0.002 0.000 0.977 337 Q CA 1.738 57.545 55.803 0.008 0.000 0.850 337 Q CB -0.595 28.148 28.738 0.008 0.000 0.901 337 Q HN 0.849 nan 8.270 nan 0.000 0.429 338 A N 0.375 123.189 122.820 -0.009 0.000 1.969 338 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 338 A C 2.139 179.709 177.584 -0.024 0.000 1.169 338 A CA 1.713 53.742 52.037 -0.014 0.000 0.635 338 A CB -0.449 18.541 19.000 -0.016 0.000 0.810 338 A HN 0.547 nan 8.150 nan 0.000 0.445 339 S N -1.633 114.037 115.700 -0.049 0.000 2.446 339 S HA 0.413 4.883 4.470 -0.000 0.000 0.225 339 S C 1.202 175.833 174.600 0.052 0.000 1.016 339 S CA 0.965 59.122 58.200 -0.072 0.000 0.943 339 S CB -0.722 62.305 63.200 -0.289 0.000 0.786 339 S HN 2.087 nan 8.310 nan 0.000 0.508 340 G N 0.355 109.193 108.800 0.063 0.000 2.756 340 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.678 340 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.678 340 G C -0.488 174.518 174.900 0.177 0.000 1.349 340 G CA -0.493 44.666 45.100 0.100 0.000 0.847 340 G HN 1.016 nan 8.290 nan 0.000 0.548 341 V N 0.982 120.963 119.914 0.112 0.000 2.811 341 V HA 0.557 4.677 4.120 -0.000 0.000 0.302 341 V C 1.490 177.580 176.094 -0.008 0.000 1.063 341 V CA 0.730 63.088 62.300 0.097 0.000 1.088 341 V CB 0.974 32.823 31.823 0.043 0.000 0.982 341 V HN 2.412 nan 8.190 nan 0.000 0.485 342 A N 6.365 129.119 122.820 -0.111 0.000 2.520 342 A HA 0.445 4.765 4.320 -0.000 0.000 0.245 342 A C -0.523 176.885 177.584 -0.294 0.000 1.072 342 A CA -0.036 51.635 52.037 -0.609 0.000 0.761 342 A CB -0.015 18.741 19.000 -0.405 0.000 1.004 342 A HN 0.889 nan 8.150 nan 0.000 0.499 343 L N 3.528 124.554 121.223 -0.329 0.000 2.287 343 L HA 0.523 4.863 4.340 -0.000 0.000 0.287 343 L C -0.513 176.362 176.870 0.008 0.000 1.022 343 L CA -0.030 54.746 54.840 -0.107 0.000 0.814 343 L CB 1.058 43.061 42.059 -0.093 0.000 1.217 343 L HN 0.660 nan 8.230 nan 0.000 0.420 344 L N 4.308 125.576 121.223 0.075 0.000 2.360 344 L HA 0.913 5.253 4.340 -0.000 0.000 0.271 344 L C 0.559 177.580 176.870 0.252 0.000 1.057 344 L CA -0.380 54.535 54.840 0.126 0.000 0.803 344 L CB 1.506 43.619 42.059 0.089 0.000 1.207 344 L HN 0.755 nan 8.230 nan 0.000 0.445 345 G N 0.158 109.089 108.800 0.220 0.000 2.664 345 G HA2 0.573 4.533 3.960 -0.000 0.000 0.303 345 G HA3 0.573 4.533 3.960 -0.000 0.000 0.303 345 G C -1.273 173.656 174.900 0.049 0.000 1.243 345 G CA -0.097 45.181 45.100 0.296 0.000 0.826 345 G HN 0.552 nan 8.290 nan 0.000 0.498 346 T N -2.160 112.476 114.554 0.137 0.000 2.907 346 T HA 0.736 5.086 4.350 -0.000 0.000 0.292 346 T C 0.224 174.961 174.700 0.063 0.000 1.043 346 T CA 0.233 62.354 62.100 0.035 0.000 1.003 346 T CB 1.605 70.556 68.868 0.138 0.000 1.084 346 T HN 1.829 nan 8.240 nan 0.000 0.483 347 A N 0.751 123.562 122.820 -0.014 0.000 2.548 347 A HA 0.516 4.836 4.320 -0.000 0.000 0.247 347 A C 1.623 179.263 177.584 0.094 0.000 1.067 347 A CA 0.484 52.554 52.037 0.055 0.000 0.757 347 A CB -1.397 17.615 19.000 0.019 0.000 0.996 347 A HN 2.457 nan 8.150 nan 0.000 0.504 348 G N 1.443 110.314 108.800 0.118 0.000 2.157 348 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.239 348 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.239 348 G C 0.214 175.167 174.900 0.088 0.000 0.982 348 G CA 0.300 45.452 45.100 0.087 0.000 0.650 348 G HN 1.367 nan 8.290 nan 0.000 0.527 349 S N -1.080 114.697 115.700 0.127 0.000 2.569 349 S HA 0.784 5.254 4.470 -0.000 0.000 0.280 349 S C 1.108 175.779 174.600 0.119 0.000 1.111 349 S CA 0.624 58.889 58.200 0.108 0.000 0.887 349 S CB 1.673 64.938 63.200 0.109 0.000 1.095 349 S HN 2.031 nan 8.310 nan 0.000 0.476 350 G N 3.327 112.159 108.800 0.053 0.000 2.685 350 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.329 350 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.329 350 G C 0.918 175.765 174.900 -0.088 0.000 1.271 350 G CA 1.142 46.241 45.100 -0.002 0.000 1.003 350 G HN 0.676 nan 8.290 nan 0.000 0.549 351 N N 0.417 118.967 118.700 -0.251 0.000 2.381 351 N HA 0.072 4.812 4.740 -0.000 0.000 0.182 351 N C 0.430 175.580 175.510 -0.600 0.000 1.025 351 N CA 0.905 53.626 53.050 -0.549 0.000 0.888 351 N CB -0.212 37.693 38.487 -0.970 0.000 0.965 351 N HN 0.367 nan 8.380 nan 0.000 0.438 352 F N -0.328 119.615 119.950 -0.012 0.000 2.458 352 F HA 0.549 5.076 4.527 -0.000 0.000 0.336 352 F C 1.234 177.027 175.800 -0.012 0.000 1.114 352 F CA -1.177 56.812 58.000 -0.018 0.000 0.987 352 F CB 1.254 40.244 39.000 -0.017 0.000 1.130 352 F HN -0.207 nan 8.300 nan 0.000 0.458 353 G N 1.969 110.856 108.800 0.145 0.000 2.599 353 G HA2 0.311 4.271 3.960 -0.000 0.000 0.264 353 G HA3 0.311 4.271 3.960 -0.000 0.000 0.264 353 G C -0.409 174.546 174.900 0.092 0.000 1.200 353 G CA -0.848 44.304 45.100 0.087 0.000 0.896 353 G HN 0.574 nan 8.290 nan 0.000 0.536 354 K N -0.566 119.871 120.400 0.062 0.000 2.336 354 K HA 0.108 4.428 4.320 -0.000 0.000 0.262 354 K C 0.526 177.151 176.600 0.041 0.000 0.992 354 K CA -0.078 56.240 56.287 0.052 0.000 0.927 354 K CB 0.530 33.055 32.500 0.043 0.000 0.956 354 K HN 0.240 nan 8.250 nan 0.000 0.495 355 L N 1.588 122.837 121.223 0.043 0.000 2.483 355 L HA -0.070 4.270 4.340 -0.000 0.000 0.275 355 L C 2.148 179.044 176.870 0.043 0.000 1.220 355 L CA 0.060 54.928 54.840 0.047 0.000 0.833 355 L CB 0.333 42.439 42.059 0.079 0.000 1.102 355 L HN 0.912 nan 8.230 nan 0.000 0.490 356 T N -1.703 112.875 114.554 0.041 0.000 2.881 356 T HA -0.152 4.198 4.350 -0.000 0.000 0.270 356 T C 1.101 175.821 174.700 0.034 0.000 1.068 356 T CA 1.793 63.913 62.100 0.032 0.000 1.131 356 T CB -0.009 68.876 68.868 0.028 0.000 0.871 356 T HN 0.765 nan 8.240 nan 0.000 0.479 357 N N 0.149 118.876 118.700 0.045 0.000 2.500 357 N HA 0.360 5.100 4.740 -0.000 0.000 0.292 357 N C 0.604 176.142 175.510 0.046 0.000 0.775 357 N CA 1.232 54.305 53.050 0.039 0.000 1.052 357 N CB 0.933 39.440 38.487 0.033 0.000 1.737 357 N HN 0.746 nan 8.380 nan 0.000 1.182 358 G N 0.088 108.925 108.800 0.063 0.000 2.466 358 G HA2 0.489 4.449 3.960 -0.000 0.000 0.316 358 G HA3 0.489 4.449 3.960 -0.000 0.000 0.316 358 G C -1.343 173.590 174.900 0.055 0.000 1.270 358 G CA -0.007 45.133 45.100 0.066 0.000 0.982 358 G HN 1.087 nan 8.290 nan 0.000 0.506 359 A N -1.536 121.310 122.820 0.043 0.000 2.612 359 A HA 0.953 5.273 4.320 -0.000 0.000 0.293 359 A C -1.594 175.980 177.584 -0.016 0.000 1.075 359 A CA 0.230 52.278 52.037 0.019 0.000 0.680 359 A CB 1.968 20.993 19.000 0.041 0.000 1.279 359 A HN 2.411 nan 8.150 nan 0.000 0.411 360 L N 0.584 121.770 121.223 -0.062 0.000 2.470 360 L HA 0.777 5.117 4.340 -0.000 0.000 0.268 360 L C -1.261 175.483 176.870 -0.210 0.000 0.964 360 L CA 0.001 54.763 54.840 -0.129 0.000 0.839 360 L CB 1.909 43.913 42.059 -0.092 0.000 1.276 360 L HN 0.699 nan 8.230 nan 0.000 0.403 361 E N 3.637 123.588 120.200 -0.415 0.000 2.272 361 E HA 0.670 5.020 4.350 -0.000 0.000 0.269 361 E C -1.044 175.194 176.600 -0.605 0.000 0.877 361 E CA -0.788 55.301 56.400 -0.518 0.000 0.755 361 E CB 2.252 31.523 29.700 -0.714 0.000 1.192 361 E HN 0.775 nan 8.360 nan 0.000 0.422 362 A N 2.095 124.719 122.820 -0.327 0.000 2.340 362 A HA 0.463 4.783 4.320 -0.000 0.000 0.268 362 A C 0.523 178.022 177.584 -0.141 0.000 1.100 362 A CA -0.259 51.647 52.037 -0.220 0.000 0.803 362 A CB 0.524 19.450 19.000 -0.123 0.000 1.043 362 A HN 0.532 nan 8.150 nan 0.000 0.488 363 S N 0.000 115.675 115.700 -0.042 0.000 2.498 363 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 363 S CA 0.000 58.251 58.200 0.086 0.000 1.107 363 S CB 0.000 63.239 63.200 0.066 0.000 0.593 363 S HN 0.000 nan 8.310 nan 0.000 0.517