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 2y04_1_B DATA FIRST_RESID 33 DATA SEQUENCE AELLSQQWEA GMSLLMALVV LLIVAGNVLV IAAIGSTQRL QTLTNLFITS DATA SEQUENCE LACADLVVGL LVVPFGATLV VRGTWLWGSF LcELWTSLDV LCVTASIETL DATA SEQUENCE CVIAIDRYLA ITSPFRYQSL MTRARAKVII CTVWAISALV SFLPIMMHWW DATA SEQUENCE RDEDPQALKc YQDPGccDFV TNRAYAIASS IISFYIPLLI MIFVALRVYR DATA SEQUENCE EAKEQIRKID RXXXXXXXXX XXXXXXXXXX XXXXXXXXXA SKRKTSRVML DATA SEQUENCE MREHKALKTL GIIMGVFTLC WLPFFLVNIV NVFNRDLVPD WLFVAFNWLG DATA SEQUENCE YANSAMNPII YCRSPDFRKA FKRLLA 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 33 A HA 0.000 nan 4.320 nan 0.000 0.244 33 A C 0.000 177.575 177.584 -0.015 0.000 1.274 33 A CA 0.000 52.024 52.037 -0.021 0.000 0.836 33 A CB 0.000 18.988 19.000 -0.020 0.000 0.831 34 E N 0.477 120.671 120.200 -0.008 0.000 2.418 34 E HA 0.079 4.420 4.350 -0.014 0.000 0.197 34 E C 1.604 178.209 176.600 0.008 0.000 1.026 34 E CA 0.741 57.140 56.400 -0.001 0.000 0.862 34 E CB -0.061 29.638 29.700 -0.002 0.000 0.799 34 E HN 0.566 nan 8.360 nan 0.000 0.518 35 L N 0.076 121.303 121.223 0.007 0.000 2.127 35 L HA -0.101 4.230 4.340 -0.014 0.000 0.203 35 L C 2.205 179.090 176.870 0.026 0.000 1.080 35 L CA 0.145 54.993 54.840 0.014 0.000 0.768 35 L CB -0.135 41.928 42.059 0.007 0.000 0.924 35 L HN 0.182 nan 8.230 nan 0.000 0.444 36 L N -0.282 120.952 121.223 0.017 0.000 2.127 36 L HA -0.205 4.127 4.340 -0.014 0.000 0.211 36 L C 2.749 179.653 176.870 0.058 0.000 1.089 36 L CA 1.833 56.687 54.840 0.024 0.000 0.757 36 L CB -0.817 41.235 42.059 -0.011 0.000 0.899 36 L HN 0.255 nan 8.230 nan 0.000 0.434 37 S N -1.373 114.354 115.700 0.045 0.000 2.345 37 S HA -0.215 4.247 4.470 -0.014 0.000 0.219 37 S C 1.920 176.606 174.600 0.142 0.000 1.031 37 S CA 1.222 59.473 58.200 0.084 0.000 0.984 37 S CB -0.154 63.069 63.200 0.037 0.000 0.874 37 S HN 0.572 nan 8.310 nan 0.000 0.451 38 Q N 0.522 120.372 119.800 0.084 0.000 2.135 38 Q HA -0.228 4.103 4.340 -0.014 0.000 0.204 38 Q C 2.429 178.470 176.000 0.069 0.000 0.981 38 Q CA 1.969 57.811 55.803 0.066 0.000 0.856 38 Q CB -0.260 28.498 28.738 0.034 0.000 0.902 38 Q HN 0.760 nan 8.270 nan 0.000 0.425 39 Q N -0.277 119.572 119.800 0.081 0.000 2.002 39 Q HA -0.237 4.095 4.340 -0.014 0.000 0.204 39 Q C 1.806 177.862 176.000 0.094 0.000 0.988 39 Q CA 1.779 57.625 55.803 0.071 0.000 0.843 39 Q CB -0.349 28.433 28.738 0.074 0.000 0.908 39 Q HN 0.507 nan 8.270 nan 0.000 0.420 40 W N 1.477 122.757 121.300 -0.033 0.000 2.358 40 W HA -0.145 4.507 4.660 -0.014 0.000 0.303 40 W C 1.900 178.396 176.519 -0.038 0.000 1.208 40 W CA 1.798 59.120 57.345 -0.039 0.000 1.274 40 W CB -0.006 29.430 29.460 -0.039 0.000 1.138 40 W HN 0.277 nan 8.180 nan 0.000 0.515 41 E N -0.229 120.089 120.200 0.197 0.000 2.070 41 E HA -0.274 4.068 4.350 -0.014 0.000 0.197 41 E C 2.213 178.734 176.600 -0.131 0.000 1.004 41 E CA 1.650 58.066 56.400 0.027 0.000 0.805 41 E CB -0.588 29.176 29.700 0.107 0.000 0.744 41 E HN 0.360 nan 8.360 nan 0.000 0.451 42 A N 0.752 123.522 122.820 -0.083 0.000 1.970 42 A HA 0.017 4.328 4.320 -0.014 0.000 0.216 42 A C 2.366 179.865 177.584 -0.142 0.000 1.170 42 A CA 1.341 53.322 52.037 -0.093 0.000 0.645 42 A CB -0.597 18.373 19.000 -0.050 0.000 0.816 42 A HN 0.337 nan 8.150 nan 0.000 0.447 43 G N -0.884 107.809 108.800 -0.178 0.000 2.403 43 G HA2 -0.119 3.833 3.960 -0.014 0.000 0.216 43 G HA3 -0.119 3.833 3.960 -0.014 0.000 0.216 43 G C 1.460 176.184 174.900 -0.294 0.000 1.154 43 G CA 1.377 46.356 45.100 -0.202 0.000 0.784 43 G HN 0.384 nan 8.290 nan 0.000 0.538 44 M N 1.258 120.577 119.600 -0.469 0.000 2.156 44 M HA 0.119 4.591 4.480 -0.014 0.000 0.264 44 M C 2.639 178.730 176.300 -0.348 0.000 1.067 44 M CA 1.127 56.096 55.300 -0.551 0.000 1.131 44 M CB -0.330 31.669 32.600 -1.001 0.000 1.368 44 M HN 0.118 nan 8.290 nan 0.000 0.416 45 S N 0.276 115.811 115.700 -0.275 0.000 2.440 45 S HA -0.142 4.320 4.470 -0.014 0.000 0.240 45 S C 1.737 176.256 174.600 -0.135 0.000 1.014 45 S CA 1.247 59.346 58.200 -0.168 0.000 0.980 45 S CB -0.497 62.630 63.200 -0.121 0.000 0.775 45 S HN 0.456 nan 8.310 nan 0.000 0.499 46 L N 0.527 121.661 121.223 -0.147 0.000 2.145 46 L HA 0.192 4.524 4.340 -0.014 0.000 0.201 46 L C 1.991 178.797 176.870 -0.107 0.000 1.075 46 L CA 0.816 55.590 54.840 -0.110 0.000 0.773 46 L CB -0.421 41.577 42.059 -0.102 0.000 0.936 46 L HN 0.220 nan 8.230 nan 0.000 0.451 47 L N -0.615 120.524 121.223 -0.141 0.000 2.042 47 L HA -0.226 4.105 4.340 -0.014 0.000 0.210 47 L C 2.318 179.124 176.870 -0.107 0.000 1.076 47 L CA 1.958 56.720 54.840 -0.129 0.000 0.749 47 L CB -0.597 41.358 42.059 -0.173 0.000 0.893 47 L HN 0.248 nan 8.230 nan 0.000 0.432 48 M N -0.600 118.922 119.600 -0.130 0.000 2.086 48 M HA -0.105 4.367 4.480 -0.014 0.000 0.261 48 M C 2.451 178.732 176.300 -0.030 0.000 1.067 48 M CA 1.847 57.101 55.300 -0.077 0.000 1.116 48 M CB -1.937 30.609 32.600 -0.091 0.000 1.348 48 M HN 0.406 nan 8.290 nan 0.000 0.407 49 A N 0.204 122.994 122.820 -0.049 0.000 1.972 49 A HA -0.139 4.172 4.320 -0.014 0.000 0.219 49 A C 2.246 179.815 177.584 -0.025 0.000 1.169 49 A CA 1.300 53.316 52.037 -0.036 0.000 0.635 49 A CB -0.852 18.121 19.000 -0.045 0.000 0.810 49 A HN 0.416 nan 8.150 nan 0.000 0.446 50 L N 0.061 121.265 121.223 -0.031 0.000 1.994 50 L HA -0.106 4.225 4.340 -0.014 0.000 0.208 50 L C 2.404 179.272 176.870 -0.004 0.000 1.071 50 L CA 2.116 56.942 54.840 -0.023 0.000 0.745 50 L CB -0.811 41.228 42.059 -0.033 0.000 0.892 50 L HN 0.158 nan 8.230 nan 0.000 0.431 51 V N -0.890 119.030 119.914 0.011 0.000 2.255 51 V HA -0.320 3.792 4.120 -0.014 0.000 0.247 51 V C 2.578 178.704 176.094 0.054 0.000 1.051 51 V CA 1.811 64.140 62.300 0.049 0.000 1.018 51 V CB -0.845 31.039 31.823 0.102 0.000 0.641 51 V HN 0.367 nan 8.190 nan 0.000 0.445 52 V N -0.507 119.437 119.914 0.050 0.000 2.282 52 V HA -0.320 3.792 4.120 -0.014 0.000 0.249 52 V C 2.387 178.492 176.094 0.018 0.000 1.057 52 V CA 2.429 64.751 62.300 0.035 0.000 1.032 52 V CB -0.621 31.211 31.823 0.015 0.000 0.645 52 V HN 0.450 nan 8.190 nan 0.000 0.447 53 L N -1.149 120.077 121.223 0.006 0.000 2.046 53 L HA -0.154 4.178 4.340 -0.014 0.000 0.208 53 L C 2.193 179.063 176.870 -0.001 0.000 1.077 53 L CA 1.658 56.497 54.840 -0.001 0.000 0.747 53 L CB -0.438 41.615 42.059 -0.010 0.000 0.896 53 L HN 0.286 nan 8.230 nan 0.000 0.432 54 L N -0.661 120.563 121.223 0.001 0.000 2.027 54 L HA -0.183 4.148 4.340 -0.014 0.000 0.206 54 L C 2.267 179.139 176.870 0.003 0.000 1.074 54 L CA 1.788 56.625 54.840 -0.005 0.000 0.745 54 L CB -0.447 41.610 42.059 -0.002 0.000 0.898 54 L HN 0.208 nan 8.230 nan 0.000 0.433 55 I N -1.744 118.840 120.570 0.024 0.000 2.142 55 I HA -0.289 3.873 4.170 -0.014 0.000 0.240 55 I C 2.311 178.449 176.117 0.036 0.000 1.078 55 I CA 1.279 62.601 61.300 0.037 0.000 1.343 55 I CB -0.489 37.543 38.000 0.054 0.000 1.046 55 I HN 0.042 nan 8.210 nan 0.000 0.405 56 V N 0.924 120.856 119.914 0.029 0.000 2.427 56 V HA -0.255 3.857 4.120 -0.014 0.000 0.248 56 V C 2.640 178.748 176.094 0.025 0.000 1.051 56 V CA 1.927 64.245 62.300 0.029 0.000 1.048 56 V CB -0.989 30.846 31.823 0.020 0.000 0.666 56 V HN 0.487 nan 8.190 nan 0.000 0.456 57 A N 0.590 123.416 122.820 0.009 0.000 1.854 57 A HA -0.015 4.297 4.320 -0.014 0.000 0.214 57 A C 2.466 180.043 177.584 -0.013 0.000 1.192 57 A CA 1.737 53.772 52.037 -0.003 0.000 0.611 57 A CB -1.381 17.607 19.000 -0.020 0.000 0.832 57 A HN 0.489 nan 8.150 nan 0.000 0.442 58 G N -0.010 108.772 108.800 -0.031 0.000 2.513 58 G HA2 -0.324 3.628 3.960 -0.014 0.000 0.219 58 G HA3 -0.324 3.628 3.960 -0.014 0.000 0.219 58 G C 1.468 176.382 174.900 0.024 0.000 1.160 58 G CA 1.244 46.310 45.100 -0.057 0.000 0.767 58 G HN 0.562 nan 8.290 nan 0.000 0.571 59 N N -0.083 118.658 118.700 0.068 0.000 2.368 59 N HA -0.018 4.714 4.740 -0.014 0.000 0.176 59 N C 2.352 177.942 175.510 0.134 0.000 1.021 59 N CA 0.697 53.822 53.050 0.125 0.000 0.888 59 N CB 0.072 38.631 38.487 0.120 0.000 0.995 59 N HN 0.179 nan 8.380 nan 0.000 0.437 60 V N 2.368 122.341 119.914 0.098 0.000 2.332 60 V HA -0.199 3.912 4.120 -0.014 0.000 0.248 60 V C 2.493 178.671 176.094 0.140 0.000 1.055 60 V CA 1.239 63.597 62.300 0.097 0.000 1.038 60 V CB -0.485 31.377 31.823 0.065 0.000 0.651 60 V HN 0.235 nan 8.190 nan 0.000 0.450 61 L N -0.594 120.722 121.223 0.156 0.000 1.989 61 L HA -0.208 4.124 4.340 -0.014 0.000 0.211 61 L C 2.498 179.639 176.870 0.452 0.000 1.071 61 L CA 1.578 56.583 54.840 0.276 0.000 0.749 61 L CB -0.678 41.471 42.059 0.149 0.000 0.890 61 L HN 0.208 nan 8.230 nan 0.000 0.431 62 V N 0.282 120.470 119.914 0.458 0.000 2.255 62 V HA -0.336 3.776 4.120 -0.014 0.000 0.247 62 V C 2.301 178.567 176.094 0.286 0.000 1.051 62 V CA 2.210 64.782 62.300 0.453 0.000 1.018 62 V CB -0.444 31.605 31.823 0.377 0.000 0.641 62 V HN 0.322 nan 8.190 nan 0.000 0.445 63 I N 0.511 121.203 120.570 0.204 0.000 2.163 63 I HA -0.259 3.903 4.170 -0.014 0.000 0.243 63 I C 2.665 178.844 176.117 0.104 0.000 1.085 63 I CA 1.662 63.041 61.300 0.132 0.000 1.347 63 I CB -0.674 37.386 38.000 0.101 0.000 1.044 63 I HN 0.278 nan 8.210 nan 0.000 0.408 64 A N 0.676 123.567 122.820 0.118 0.000 1.902 64 A HA -0.164 4.148 4.320 -0.014 0.000 0.217 64 A C 2.551 180.175 177.584 0.067 0.000 1.181 64 A CA 1.933 54.022 52.037 0.087 0.000 0.623 64 A CB -0.958 18.101 19.000 0.099 0.000 0.818 64 A HN 0.430 nan 8.150 nan 0.000 0.443 65 A N 0.144 123.024 122.820 0.100 0.000 1.851 65 A HA -0.132 4.179 4.320 -0.014 0.000 0.216 65 A C 2.122 179.654 177.584 -0.086 0.000 1.195 65 A CA 1.641 53.680 52.037 0.003 0.000 0.622 65 A CB -0.756 18.235 19.000 -0.015 0.000 0.831 65 A HN 0.495 nan 8.150 nan 0.000 0.444 66 I N -0.084 120.456 120.570 -0.051 0.000 2.194 66 I HA -0.259 3.903 4.170 -0.014 0.000 0.246 66 I C 2.570 178.644 176.117 -0.071 0.000 1.093 66 I CA 1.307 62.550 61.300 -0.095 0.000 1.355 66 I CB -0.602 37.389 38.000 -0.015 0.000 1.046 66 I HN 0.412 nan 8.210 nan 0.000 0.413 67 G N -0.486 108.298 108.800 -0.027 0.000 2.559 67 G HA2 -0.166 3.785 3.960 -0.014 0.000 0.216 67 G HA3 -0.166 3.785 3.960 -0.014 0.000 0.216 67 G C 1.502 176.382 174.900 -0.033 0.000 1.126 67 G CA 1.170 46.257 45.100 -0.023 0.000 0.778 67 G HN 0.553 nan 8.290 nan 0.000 0.543 68 S N -1.961 113.712 115.700 -0.046 0.000 2.918 68 S HA 0.108 4.570 4.470 -0.014 0.000 0.264 68 S C 0.733 175.295 174.600 -0.063 0.000 1.078 68 S CA 0.038 58.213 58.200 -0.043 0.000 0.918 68 S CB 0.247 63.432 63.200 -0.024 0.000 0.882 68 S HN 0.004 nan 8.310 nan 0.000 0.466 69 T N 3.902 118.399 114.554 -0.095 0.000 2.784 69 T HA 0.188 4.530 4.350 -0.014 0.000 0.291 69 T C 0.921 175.549 174.700 -0.121 0.000 0.942 69 T CA -0.016 62.011 62.100 -0.122 0.000 1.161 69 T CB 0.914 69.667 68.868 -0.191 0.000 0.885 69 T HN 0.291 nan 8.240 nan 0.000 0.534 70 Q N 2.947 122.691 119.800 -0.094 0.000 2.119 70 Q HA -0.115 4.217 4.340 -0.014 0.000 0.201 70 Q C 2.284 178.224 176.000 -0.100 0.000 0.972 70 Q CA 1.073 56.826 55.803 -0.084 0.000 0.847 70 Q CB -0.064 28.637 28.738 -0.062 0.000 0.903 70 Q HN 0.545 nan 8.270 nan 0.000 0.433 71 R N 0.524 120.956 120.500 -0.113 0.000 2.293 71 R HA -0.030 4.301 4.340 -0.014 0.000 0.219 71 R C 1.459 177.659 176.300 -0.166 0.000 1.091 71 R CA 0.498 56.525 56.100 -0.122 0.000 1.004 71 R CB 0.101 30.331 30.300 -0.116 0.000 0.865 71 R HN 0.185 nan 8.270 nan 0.000 0.469 72 L N -0.023 121.074 121.223 -0.211 0.000 2.728 72 L HA 0.144 4.476 4.340 -0.014 0.000 0.238 72 L C 0.326 177.076 176.870 -0.200 0.000 1.143 72 L CA 0.087 54.755 54.840 -0.286 0.000 0.937 72 L CB 0.543 42.322 42.059 -0.466 0.000 1.225 72 L HN 0.116 nan 8.230 nan 0.000 0.507 73 Q N 0.964 120.680 119.800 -0.140 0.000 2.412 73 Q HA 0.066 4.398 4.340 -0.014 0.000 0.298 73 Q C 0.614 176.561 176.000 -0.088 0.000 0.938 73 Q CA -0.208 55.532 55.803 -0.106 0.000 0.968 73 Q CB 0.046 28.732 28.738 -0.087 0.000 1.187 73 Q HN 0.328 nan 8.270 nan 0.000 0.421 74 T N -3.606 110.896 114.554 -0.087 0.000 2.813 74 T HA 0.187 4.529 4.350 -0.014 0.000 0.297 74 T C 1.312 175.965 174.700 -0.078 0.000 1.036 74 T CA -0.598 61.466 62.100 -0.060 0.000 1.044 74 T CB 0.939 69.784 68.868 -0.038 0.000 0.993 74 T HN 0.237 nan 8.240 nan 0.000 0.535 75 L N 0.704 121.889 121.223 -0.064 0.000 2.017 75 L HA -0.105 4.227 4.340 -0.014 0.000 0.208 75 L C 3.194 179.928 176.870 -0.227 0.000 1.073 75 L CA 1.612 56.361 54.840 -0.152 0.000 0.745 75 L CB -1.257 40.753 42.059 -0.083 0.000 0.894 75 L HN 0.835 nan 8.230 nan 0.000 0.432 76 T N -0.321 114.219 114.554 -0.022 0.000 2.737 76 T HA -0.173 4.169 4.350 -0.014 0.000 0.269 76 T C 1.618 176.350 174.700 0.052 0.000 1.040 76 T CA 1.460 63.624 62.100 0.106 0.000 1.142 76 T CB -0.274 68.685 68.868 0.151 0.000 0.861 76 T HN 0.285 nan 8.240 nan 0.000 0.456 77 N N 0.775 119.462 118.700 -0.021 0.000 2.457 77 N HA 0.139 4.871 4.740 -0.014 0.000 0.180 77 N C 1.696 177.185 175.510 -0.036 0.000 1.050 77 N CA 0.323 53.371 53.050 -0.003 0.000 0.906 77 N CB -0.331 38.139 38.487 -0.028 0.000 0.968 77 N HN 0.377 nan 8.380 nan 0.000 0.445 78 L N -0.497 120.627 121.223 -0.164 0.000 2.083 78 L HA -0.112 4.220 4.340 -0.014 0.000 0.209 78 L C 1.623 178.439 176.870 -0.089 0.000 1.083 78 L CA 0.945 55.668 54.840 -0.194 0.000 0.752 78 L CB -0.381 41.462 42.059 -0.359 0.000 0.899 78 L HN 0.024 nan 8.230 nan 0.000 0.433 79 F N -0.408 119.584 119.950 0.071 0.000 2.146 79 F HA -0.195 4.324 4.527 -0.013 0.000 0.298 79 F C 2.441 178.299 175.800 0.096 0.000 1.096 79 F CA 0.686 58.736 58.000 0.083 0.000 1.275 79 F CB -0.743 38.297 39.000 0.065 0.000 1.008 79 F HN -0.068 nan 8.300 nan 0.000 0.480 80 I N -0.103 120.612 120.570 0.241 0.000 2.208 80 I HA -0.287 3.874 4.170 -0.014 0.000 0.245 80 I C 2.234 178.456 176.117 0.174 0.000 1.097 80 I CA 1.708 63.115 61.300 0.177 0.000 1.363 80 I CB -1.746 36.289 38.000 0.058 0.000 1.051 80 I HN 0.179 nan 8.210 nan 0.000 0.413 81 T N 0.220 114.858 114.554 0.139 0.000 2.708 81 T HA -0.185 4.157 4.350 -0.014 0.000 0.266 81 T C 2.147 176.953 174.700 0.178 0.000 1.037 81 T CA 1.958 64.138 62.100 0.134 0.000 1.146 81 T CB -0.301 68.614 68.868 0.079 0.000 0.865 81 T HN 0.362 nan 8.240 nan 0.000 0.435 82 S N 0.938 116.774 115.700 0.226 0.000 2.359 82 S HA -0.115 4.347 4.470 -0.014 0.000 0.224 82 S C 2.039 176.870 174.600 0.385 0.000 1.035 82 S CA 1.026 59.431 58.200 0.343 0.000 1.018 82 S CB -0.529 62.935 63.200 0.440 0.000 0.876 82 S HN 0.275 nan 8.310 nan 0.000 0.448 83 L N 1.956 123.352 121.223 0.287 0.000 2.046 83 L HA 0.130 4.461 4.340 -0.014 0.000 0.208 83 L C 2.554 179.572 176.870 0.247 0.000 1.077 83 L CA 2.182 57.160 54.840 0.231 0.000 0.747 83 L CB -1.522 40.648 42.059 0.186 0.000 0.896 83 L HN 0.382 nan 8.230 nan 0.000 0.432 84 A N -1.828 121.137 122.820 0.242 0.000 2.015 84 A HA -0.181 4.131 4.320 -0.014 0.000 0.219 84 A C 2.392 180.093 177.584 0.196 0.000 1.163 84 A CA 1.472 53.642 52.037 0.221 0.000 0.646 84 A CB -1.292 17.840 19.000 0.220 0.000 0.806 84 A HN 0.611 nan 8.150 nan 0.000 0.448 85 C N -0.998 118.423 119.300 0.202 0.000 2.429 85 C HA 0.054 4.506 4.460 -0.014 0.000 0.277 85 C C 3.291 178.423 174.990 0.238 0.000 1.262 85 C CA 0.722 59.838 59.018 0.163 0.000 1.733 85 C CB -1.306 26.486 27.740 0.085 0.000 2.010 85 C HN 0.713 nan 8.230 nan 0.000 0.483 86 A N 0.810 123.869 122.820 0.398 0.000 1.908 86 A HA -0.224 4.088 4.320 -0.014 0.000 0.218 86 A C 1.816 179.552 177.584 0.254 0.000 1.181 86 A CA 2.235 54.531 52.037 0.431 0.000 0.627 86 A CB -0.578 18.627 19.000 0.341 0.000 0.818 86 A HN 0.569 nan 8.150 nan 0.000 0.445 87 D N -0.558 119.971 120.400 0.216 0.000 2.123 87 D HA -0.098 4.534 4.640 -0.014 0.000 0.200 87 D C 1.834 178.214 176.300 0.133 0.000 0.976 87 D CA 0.995 55.099 54.000 0.172 0.000 0.831 87 D CB -0.401 40.501 40.800 0.171 0.000 0.974 87 D HN 0.300 nan 8.370 nan 0.000 0.469 88 L N 0.979 122.280 121.223 0.131 0.000 2.081 88 L HA -0.158 4.174 4.340 -0.014 0.000 0.212 88 L C 2.187 179.108 176.870 0.085 0.000 1.080 88 L CA 1.314 56.212 54.840 0.097 0.000 0.754 88 L CB -0.517 41.594 42.059 0.088 0.000 0.893 88 L HN -0.124 nan 8.230 nan 0.000 0.433 89 V N -1.683 118.295 119.914 0.107 0.000 2.548 89 V HA -0.203 3.909 4.120 -0.014 0.000 0.249 89 V C 2.457 178.596 176.094 0.076 0.000 1.055 89 V CA 1.266 63.625 62.300 0.099 0.000 1.065 89 V CB -0.224 31.681 31.823 0.137 0.000 0.681 89 V HN 0.308 nan 8.190 nan 0.000 0.462 90 V N 0.971 120.924 119.914 0.064 0.000 2.427 90 V HA -0.154 3.958 4.120 -0.014 0.000 0.248 90 V C 2.577 178.667 176.094 -0.007 0.000 1.051 90 V CA 2.142 64.438 62.300 -0.007 0.000 1.048 90 V CB -1.274 30.552 31.823 0.005 0.000 0.666 90 V HN 0.598 nan 8.190 nan 0.000 0.456 91 G N -0.052 108.769 108.800 0.034 0.000 2.414 91 G HA2 -0.171 3.780 3.960 -0.014 0.000 0.215 91 G HA3 -0.171 3.780 3.960 -0.014 0.000 0.215 91 G C 1.536 176.453 174.900 0.028 0.000 1.188 91 G CA 0.885 46.006 45.100 0.035 0.000 0.783 91 G HN 0.473 nan 8.290 nan 0.000 0.537 92 L N -0.703 120.540 121.223 0.034 0.000 2.156 92 L HA 0.205 4.537 4.340 -0.014 0.000 0.208 92 L C 2.541 179.431 176.870 0.034 0.000 1.095 92 L CA 0.556 55.408 54.840 0.021 0.000 0.770 92 L CB -0.169 41.907 42.059 0.028 0.000 0.914 92 L HN 0.178 nan 8.230 nan 0.000 0.439 93 L N -2.539 118.743 121.223 0.099 0.000 2.641 93 L HA 0.084 4.416 4.340 -0.014 0.000 0.207 93 L C 2.166 179.265 176.870 0.381 0.000 1.049 93 L CA -0.035 54.952 54.840 0.245 0.000 0.866 93 L CB 0.104 42.307 42.059 0.240 0.000 1.264 93 L HN -0.164 nan 8.230 nan 0.000 0.483 94 V N -0.313 119.721 119.914 0.201 0.000 2.283 94 V HA -0.181 3.931 4.120 -0.014 0.000 0.243 94 V C 2.289 178.491 176.094 0.180 0.000 1.039 94 V CA 1.505 63.922 62.300 0.194 0.000 1.016 94 V CB -0.100 31.583 31.823 -0.233 0.000 0.650 94 V HN 0.145 nan 8.190 nan 0.000 0.449 95 V N 0.173 120.073 119.914 -0.024 0.000 2.379 95 V HA -0.079 4.033 4.120 -0.014 0.000 0.245 95 V C 0.071 176.266 176.094 0.168 0.000 1.044 95 V CA 2.082 64.404 62.300 0.037 0.000 1.036 95 V CB -1.498 30.359 31.823 0.056 0.000 0.664 95 V HN 0.486 nan 8.190 nan 0.000 0.453 96 P HA -0.166 nan 4.420 nan 0.000 0.213 96 P C 1.627 178.841 177.300 -0.143 0.000 1.170 96 P CA 1.682 64.729 63.100 -0.090 0.000 0.902 96 P CB -0.148 31.401 31.700 -0.252 0.000 0.789 97 F N -0.226 119.619 119.950 -0.175 0.000 2.091 97 F HA -0.138 4.381 4.527 -0.013 0.000 0.299 97 F C 2.584 178.184 175.800 -0.333 0.000 1.103 97 F CA 2.160 59.901 58.000 -0.431 0.000 1.228 97 F CB -1.643 36.954 39.000 -0.672 0.000 0.984 97 F HN -0.055 nan 8.300 nan 0.000 0.477 98 G N -0.947 107.919 108.800 0.110 0.000 2.448 98 G HA2 -0.135 3.817 3.960 -0.014 0.000 0.219 98 G HA3 -0.135 3.817 3.960 -0.014 0.000 0.219 98 G C 1.824 177.037 174.900 0.521 0.000 1.127 98 G CA 0.791 46.127 45.100 0.394 0.000 0.766 98 G HN 0.496 nan 8.290 nan 0.000 0.552 99 A N 1.110 124.167 122.820 0.395 0.000 1.855 99 A HA -0.064 4.248 4.320 -0.014 0.000 0.215 99 A C 2.709 180.374 177.584 0.135 0.000 1.191 99 A CA 2.862 55.038 52.037 0.233 0.000 0.613 99 A CB -1.365 17.710 19.000 0.126 0.000 0.829 99 A HN 0.587 nan 8.150 nan 0.000 0.442 100 T N -1.387 113.224 114.554 0.094 0.000 2.737 100 T HA -0.229 4.113 4.350 -0.014 0.000 0.269 100 T C 1.764 176.538 174.700 0.123 0.000 1.040 100 T CA 1.820 63.981 62.100 0.102 0.000 1.142 100 T CB -0.590 68.406 68.868 0.213 0.000 0.861 100 T HN 0.272 nan 8.240 nan 0.000 0.456 101 L N 0.933 122.262 121.223 0.177 0.000 2.027 101 L HA 0.101 4.433 4.340 -0.014 0.000 0.206 101 L C 2.710 179.736 176.870 0.260 0.000 1.074 101 L CA 1.387 56.375 54.840 0.247 0.000 0.745 101 L CB -0.678 41.594 42.059 0.355 0.000 0.898 101 L HN 0.208 nan 8.230 nan 0.000 0.433 102 V N -1.337 118.746 119.914 0.281 0.000 2.307 102 V HA -0.250 3.862 4.120 -0.014 0.000 0.245 102 V C 2.448 178.723 176.094 0.302 0.000 1.045 102 V CA 1.617 64.085 62.300 0.280 0.000 1.024 102 V CB -0.409 31.520 31.823 0.177 0.000 0.651 102 V HN 0.318 nan 8.190 nan 0.000 0.449 103 V N -0.117 119.888 119.914 0.151 0.000 2.244 103 V HA -0.172 3.939 4.120 -0.014 0.000 0.244 103 V C 2.523 178.763 176.094 0.244 0.000 1.042 103 V CA 1.860 64.224 62.300 0.107 0.000 1.006 103 V CB -0.644 31.157 31.823 -0.035 0.000 0.641 103 V HN 0.422 nan 8.190 nan 0.000 0.446 104 R N -0.293 120.295 120.500 0.145 0.000 2.275 104 R HA 0.149 4.481 4.340 -0.014 0.000 0.199 104 R C 1.814 178.177 176.300 0.105 0.000 0.989 104 R CA 0.896 57.055 56.100 0.099 0.000 1.016 104 R CB -0.214 30.094 30.300 0.014 0.000 0.918 104 R HN 0.682 nan 8.270 nan 0.000 0.473 105 G N 0.929 109.818 108.800 0.150 0.000 2.225 105 G HA2 -0.312 3.640 3.960 -0.014 0.000 0.254 105 G HA3 -0.312 3.640 3.960 -0.014 0.000 0.254 105 G C 0.403 175.376 174.900 0.122 0.000 0.988 105 G CA 0.827 46.002 45.100 0.124 0.000 0.625 105 G HN 0.559 nan 8.290 nan 0.000 0.527 106 T N -3.796 110.826 114.554 0.114 0.000 2.787 106 T HA 0.533 4.874 4.350 -0.014 0.000 0.297 106 T C -0.838 173.968 174.700 0.177 0.000 1.221 106 T CA -0.308 61.879 62.100 0.144 0.000 1.006 106 T CB 1.982 70.902 68.868 0.088 0.000 1.328 106 T HN 0.858 nan 8.240 nan 0.000 0.509 107 W N 2.483 123.809 121.300 0.043 0.000 2.335 107 W HA 0.407 5.060 4.660 -0.011 0.000 0.306 107 W C -0.375 176.091 176.519 -0.088 0.000 1.216 107 W CA -0.923 56.447 57.345 0.043 0.000 1.237 107 W CB 0.612 30.140 29.460 0.113 0.000 1.243 107 W HN 0.685 nan 8.180 nan 0.000 0.493 108 L N 5.536 126.262 121.223 -0.829 0.000 2.607 108 L HA 0.062 4.393 4.340 -0.014 0.000 0.228 108 L C 0.618 176.922 176.870 -0.943 0.000 1.123 108 L CA 0.262 54.542 54.840 -0.934 0.000 0.890 108 L CB -0.121 41.187 42.059 -1.251 0.000 1.103 108 L HN 0.487 nan 8.230 nan 0.000 0.468 109 W N 0.405 121.388 121.300 -0.529 0.000 3.005 109 W HA 0.551 5.202 4.660 -0.015 0.000 0.374 109 W C 1.157 177.845 176.519 0.282 0.000 1.076 109 W CA 0.069 57.316 57.345 -0.163 0.000 1.794 109 W CB 0.328 29.618 29.460 -0.284 0.000 1.113 109 W HN 0.068 nan 8.180 nan 0.000 0.584 110 G N 0.627 109.755 108.800 0.545 0.000 2.795 110 G HA2 -0.275 3.677 3.960 -0.014 0.000 0.664 110 G HA3 -0.275 3.677 3.960 -0.014 0.000 0.664 110 G C 0.682 175.900 174.900 0.529 0.000 1.381 110 G CA -0.256 45.137 45.100 0.487 0.000 0.853 110 G HN -0.035 nan 8.290 nan 0.000 0.545 111 S N -0.702 115.210 115.700 0.353 0.000 2.359 111 S HA -0.101 4.361 4.470 -0.014 0.000 0.224 111 S C 2.022 176.780 174.600 0.264 0.000 1.035 111 S CA 2.468 60.827 58.200 0.265 0.000 1.018 111 S CB -0.341 63.004 63.200 0.241 0.000 0.876 111 S HN 0.872 nan 8.310 nan 0.000 0.448 112 F N 2.038 122.104 119.950 0.194 0.000 2.113 112 F HA 0.014 4.533 4.527 -0.014 0.000 0.297 112 F C 1.840 177.736 175.800 0.160 0.000 1.103 112 F CA 1.260 59.358 58.000 0.162 0.000 1.248 112 F CB -0.404 38.686 39.000 0.149 0.000 0.999 112 F HN 0.100 nan 8.300 nan 0.000 0.475 113 L N -0.432 120.904 121.223 0.188 0.000 2.191 113 L HA -0.244 4.087 4.340 -0.014 0.000 0.212 113 L C 2.826 179.741 176.870 0.074 0.000 1.103 113 L CA 1.279 56.175 54.840 0.092 0.000 0.769 113 L CB -0.921 41.357 42.059 0.366 0.000 0.908 113 L HN 0.500 nan 8.230 nan 0.000 0.438 114 c N 0.492 119.119 118.600 0.045 0.000 2.453 114 c HA -0.151 4.411 4.570 -0.014 0.000 0.277 114 c C 2.514 176.390 174.090 -0.358 0.000 1.262 114 c CA 1.009 57.013 56.329 -0.542 0.000 1.718 114 c CB -0.497 41.489 42.510 -0.875 0.000 2.031 114 c HN 0.519 nan 8.230 nan 0.000 0.480 115 E N 0.194 120.231 120.200 -0.271 0.000 2.047 115 E HA -0.196 4.145 4.350 -0.014 0.000 0.191 115 E C 2.000 178.356 176.600 -0.407 0.000 0.987 115 E CA 1.397 57.617 56.400 -0.300 0.000 0.799 115 E CB -0.360 29.273 29.700 -0.112 0.000 0.752 115 E HN 0.643 nan 8.360 nan 0.000 0.449 116 L N 0.303 121.253 121.223 -0.455 0.000 2.083 116 L HA -0.158 4.173 4.340 -0.014 0.000 0.209 116 L C 2.047 178.719 176.870 -0.330 0.000 1.083 116 L CA 1.590 56.181 54.840 -0.416 0.000 0.752 116 L CB -0.351 41.396 42.059 -0.520 0.000 0.899 116 L HN 0.285 nan 8.230 nan 0.000 0.433 117 W N 0.261 121.271 121.300 -0.483 0.000 2.354 117 W HA -0.212 4.439 4.660 -0.014 0.000 0.315 117 W C 2.342 178.597 176.519 -0.439 0.000 1.206 117 W CA 2.489 59.566 57.345 -0.446 0.000 1.290 117 W CB -0.876 28.340 29.460 -0.406 0.000 1.152 117 W HN 0.085 nan 8.180 nan 0.000 0.489 118 T N 0.557 114.620 114.554 -0.818 0.000 2.665 118 T HA -0.270 4.072 4.350 -0.014 0.000 0.268 118 T C 1.952 176.092 174.700 -0.935 0.000 1.035 118 T CA 2.260 63.690 62.100 -1.117 0.000 1.151 118 T CB -0.915 67.240 68.868 -1.189 0.000 0.862 118 T HN 0.164 nan 8.240 nan 0.000 0.438 119 S N 1.414 116.629 115.700 -0.808 0.000 2.359 119 S HA -0.073 4.389 4.470 -0.014 0.000 0.222 119 S C 2.065 176.180 174.600 -0.808 0.000 1.038 119 S CA 1.191 58.830 58.200 -0.934 0.000 1.051 119 S CB -0.665 61.730 63.200 -1.340 0.000 0.944 119 S HN 0.370 nan 8.310 nan 0.000 0.433 120 L N 1.271 122.138 121.223 -0.594 0.000 2.079 120 L HA -0.188 4.144 4.340 -0.014 0.000 0.210 120 L C 2.480 179.164 176.870 -0.311 0.000 1.081 120 L CA 1.461 56.122 54.840 -0.298 0.000 0.752 120 L CB -0.731 41.246 42.059 -0.137 0.000 0.896 120 L HN 0.322 nan 8.230 nan 0.000 0.433 121 D N 0.248 120.345 120.400 -0.505 0.000 2.078 121 D HA -0.155 4.477 4.640 -0.014 0.000 0.193 121 D C 2.117 178.212 176.300 -0.341 0.000 0.990 121 D CA 1.460 55.184 54.000 -0.459 0.000 0.827 121 D CB -0.017 40.354 40.800 -0.716 0.000 0.975 121 D HN 0.048 nan 8.370 nan 0.000 0.451 122 V N 0.865 120.537 119.914 -0.402 0.000 2.407 122 V HA -0.205 3.907 4.120 -0.014 0.000 0.248 122 V C 2.693 178.663 176.094 -0.207 0.000 1.055 122 V CA 1.532 63.670 62.300 -0.270 0.000 1.049 122 V CB -0.684 31.003 31.823 -0.225 0.000 0.662 122 V HN 0.253 nan 8.190 nan 0.000 0.455 123 L N -0.085 121.008 121.223 -0.216 0.000 2.042 123 L HA -0.199 4.132 4.340 -0.014 0.000 0.210 123 L C 2.352 179.163 176.870 -0.097 0.000 1.076 123 L CA 2.293 57.081 54.840 -0.087 0.000 0.749 123 L CB -0.782 41.317 42.059 0.068 0.000 0.893 123 L HN 0.346 nan 8.230 nan 0.000 0.432 124 C N -1.830 117.423 119.300 -0.078 0.000 2.476 124 C HA -0.073 4.378 4.460 -0.014 0.000 0.278 124 C C 2.691 177.627 174.990 -0.090 0.000 1.274 124 C CA 0.760 59.756 59.018 -0.037 0.000 1.713 124 C CB -0.712 27.049 27.740 0.036 0.000 2.039 124 C HN 0.503 nan 8.230 nan 0.000 0.484 125 V N 0.865 120.691 119.914 -0.148 0.000 2.332 125 V HA -0.239 3.873 4.120 -0.014 0.000 0.248 125 V C 2.471 178.465 176.094 -0.167 0.000 1.055 125 V CA 2.612 64.769 62.300 -0.237 0.000 1.038 125 V CB -1.294 30.210 31.823 -0.530 0.000 0.651 125 V HN 0.602 nan 8.190 nan 0.000 0.450 126 T N 0.460 114.900 114.554 -0.189 0.000 2.737 126 T HA -0.121 4.220 4.350 -0.014 0.000 0.265 126 T C 2.053 176.582 174.700 -0.286 0.000 1.038 126 T CA 1.650 63.631 62.100 -0.199 0.000 1.144 126 T CB -0.428 68.344 68.868 -0.160 0.000 0.866 126 T HN 0.572 nan 8.240 nan 0.000 0.434 127 A N 1.138 123.718 122.820 -0.401 0.000 1.969 127 A HA -0.025 4.287 4.320 -0.014 0.000 0.218 127 A C 2.581 179.878 177.584 -0.477 0.000 1.169 127 A CA 1.617 53.264 52.037 -0.650 0.000 0.635 127 A CB -0.686 17.518 19.000 -1.327 0.000 0.810 127 A HN 0.418 nan 8.150 nan 0.000 0.445 128 S N -0.404 115.109 115.700 -0.311 0.000 2.356 128 S HA -0.136 4.326 4.470 -0.014 0.000 0.223 128 S C 1.841 176.142 174.600 -0.498 0.000 1.032 128 S CA 1.487 59.528 58.200 -0.265 0.000 1.005 128 S CB -0.350 62.840 63.200 -0.017 0.000 0.867 128 S HN 0.541 nan 8.310 nan 0.000 0.449 129 I N 1.890 122.152 120.570 -0.512 0.000 2.439 129 I HA -0.043 4.119 4.170 -0.014 0.000 0.251 129 I C 1.968 177.846 176.117 -0.399 0.000 1.139 129 I CA 1.226 62.178 61.300 -0.580 0.000 1.438 129 I CB -0.395 37.390 38.000 -0.357 0.000 1.085 129 I HN 0.230 nan 8.210 nan 0.000 0.427 130 E N -0.621 119.375 120.200 -0.339 0.000 2.107 130 E HA -0.154 4.188 4.350 -0.014 0.000 0.191 130 E C 1.965 178.392 176.600 -0.288 0.000 0.982 130 E CA 1.606 57.832 56.400 -0.291 0.000 0.809 130 E CB -0.081 29.453 29.700 -0.276 0.000 0.756 130 E HN 0.468 nan 8.360 nan 0.000 0.459 131 T N 1.541 115.914 114.554 -0.301 0.000 2.777 131 T HA -0.084 4.258 4.350 -0.014 0.000 0.266 131 T C 1.954 176.509 174.700 -0.241 0.000 1.040 131 T CA 0.633 62.588 62.100 -0.242 0.000 1.141 131 T CB -0.153 68.631 68.868 -0.140 0.000 0.868 131 T HN 0.089 nan 8.240 nan 0.000 0.444 132 L N 0.438 121.498 121.223 -0.271 0.000 2.081 132 L HA -0.171 4.161 4.340 -0.014 0.000 0.212 132 L C 2.872 179.617 176.870 -0.208 0.000 1.080 132 L CA 0.895 55.589 54.840 -0.244 0.000 0.754 132 L CB -0.742 41.104 42.059 -0.354 0.000 0.893 132 L HN 0.398 nan 8.230 nan 0.000 0.433 133 C N -1.053 118.109 119.300 -0.230 0.000 2.432 133 C HA -0.130 4.321 4.460 -0.014 0.000 0.277 133 C C 2.829 177.704 174.990 -0.191 0.000 1.249 133 C CA 0.605 59.511 59.018 -0.188 0.000 1.725 133 C CB -0.404 27.223 27.740 -0.189 0.000 2.028 133 C HN 0.342 nan 8.230 nan 0.000 0.477 134 V N 1.102 120.857 119.914 -0.266 0.000 2.252 134 V HA -0.281 3.831 4.120 -0.014 0.000 0.249 134 V C 2.100 177.973 176.094 -0.368 0.000 1.056 134 V CA 2.410 64.484 62.300 -0.377 0.000 1.022 134 V CB -0.612 30.855 31.823 -0.594 0.000 0.641 134 V HN 0.529 nan 8.190 nan 0.000 0.445 135 I N 0.321 120.704 120.570 -0.313 0.000 2.151 135 I HA -0.321 3.841 4.170 -0.014 0.000 0.243 135 I C 2.642 178.743 176.117 -0.027 0.000 1.080 135 I CA 1.810 63.047 61.300 -0.105 0.000 1.339 135 I CB -0.614 37.379 38.000 -0.012 0.000 1.039 135 I HN 0.315 nan 8.210 nan 0.000 0.409 136 A N 0.592 123.383 122.820 -0.049 0.000 1.933 136 A HA -0.168 4.143 4.320 -0.014 0.000 0.218 136 A C 2.305 179.906 177.584 0.028 0.000 1.175 136 A CA 1.519 53.551 52.037 -0.008 0.000 0.628 136 A CB -0.793 18.187 19.000 -0.034 0.000 0.814 136 A HN 0.409 nan 8.150 nan 0.000 0.444 137 I N -0.486 120.079 120.570 -0.008 0.000 2.202 137 I HA -0.237 3.924 4.170 -0.014 0.000 0.242 137 I C 2.291 178.484 176.117 0.127 0.000 1.091 137 I CA 1.823 63.149 61.300 0.044 0.000 1.368 137 I CB -0.386 37.605 38.000 -0.015 0.000 1.058 137 I HN 0.421 nan 8.210 nan 0.000 0.410 138 D N 0.764 121.223 120.400 0.100 0.000 2.133 138 D HA -0.221 4.410 4.640 -0.014 0.000 0.195 138 D C 2.323 178.740 176.300 0.195 0.000 0.997 138 D CA 1.450 55.590 54.000 0.234 0.000 0.840 138 D CB 0.144 41.117 40.800 0.289 0.000 0.947 138 D HN 0.040 nan 8.370 nan 0.000 0.452 139 R N -0.719 119.847 120.500 0.111 0.000 2.090 139 R HA -0.121 4.211 4.340 -0.014 0.000 0.228 139 R C 2.236 178.554 176.300 0.030 0.000 1.110 139 R CA 0.792 56.911 56.100 0.031 0.000 0.973 139 R CB -1.211 29.108 30.300 0.032 0.000 0.869 139 R HN 0.440 nan 8.270 nan 0.000 0.440 140 Y N 1.420 121.709 120.300 -0.019 0.000 2.145 140 Y HA -0.217 4.325 4.550 -0.013 0.000 0.286 140 Y C 2.220 178.114 175.900 -0.009 0.000 1.145 140 Y CA 1.361 59.448 58.100 -0.022 0.000 1.148 140 Y CB -0.374 38.081 38.460 -0.010 0.000 0.981 140 Y HN -0.068 nan 8.280 nan 0.000 0.507 141 L N 0.226 121.539 121.223 0.150 0.000 1.994 141 L HA -0.167 4.165 4.340 -0.014 0.000 0.208 141 L C 2.600 179.459 176.870 -0.019 0.000 1.071 141 L CA 2.103 57.017 54.840 0.125 0.000 0.745 141 L CB -1.082 41.159 42.059 0.302 0.000 0.892 141 L HN 0.292 nan 8.230 nan 0.000 0.431 142 A N -1.137 121.565 122.820 -0.197 0.000 2.070 142 A HA -0.198 4.114 4.320 -0.014 0.000 0.220 142 A C 2.309 179.678 177.584 -0.359 0.000 1.159 142 A CA 1.936 53.595 52.037 -0.629 0.000 0.656 142 A CB -0.783 17.584 19.000 -1.054 0.000 0.800 142 A HN 0.529 nan 8.150 nan 0.000 0.453 143 I N -0.627 119.785 120.570 -0.264 0.000 3.228 143 I HA -0.091 4.071 4.170 -0.014 0.000 0.279 143 I C 2.295 178.280 176.117 -0.221 0.000 1.221 143 I CA 1.560 62.726 61.300 -0.223 0.000 1.458 143 I CB 0.234 38.118 38.000 -0.193 0.000 1.105 143 I HN 0.521 nan 8.210 nan 0.000 0.445 144 T N -3.901 110.492 114.554 -0.269 0.000 3.033 144 T HA 0.099 4.441 4.350 -0.014 0.000 0.248 144 T C 1.019 175.654 174.700 -0.109 0.000 1.040 144 T CA 0.043 61.999 62.100 -0.240 0.000 1.133 144 T CB 0.200 68.834 68.868 -0.391 0.000 0.895 144 T HN 0.066 nan 8.240 nan 0.000 0.465 145 S N 2.265 117.924 115.700 -0.068 0.000 2.293 145 S HA 0.458 4.920 4.470 -0.014 0.000 0.154 145 S C -2.414 172.215 174.600 0.048 0.000 1.602 145 S CA -1.190 57.025 58.200 0.026 0.000 1.260 145 S CB 1.248 64.486 63.200 0.063 0.000 1.270 145 S HN 0.080 nan 8.310 nan 0.000 0.416 146 P HA 0.046 nan 4.420 nan 0.000 0.221 146 P C 0.753 177.945 177.300 -0.181 0.000 1.150 146 P CA 0.866 63.859 63.100 -0.179 0.000 0.800 146 P CB 0.061 31.538 31.700 -0.371 0.000 0.787 147 F N -0.744 119.249 119.950 0.072 0.000 2.262 147 F HA 0.137 4.655 4.527 -0.014 0.000 0.292 147 F C 2.590 178.435 175.800 0.074 0.000 1.081 147 F CA 0.484 58.525 58.000 0.067 0.000 1.355 147 F CB -0.693 38.328 39.000 0.036 0.000 1.069 147 F HN -0.300 nan 8.300 nan 0.000 0.506 148 R N -0.307 120.343 120.500 0.251 0.000 2.117 148 R HA -0.252 4.080 4.340 -0.014 0.000 0.243 148 R C 2.125 178.511 176.300 0.144 0.000 1.143 148 R CA 1.644 57.841 56.100 0.161 0.000 0.968 148 R CB -0.938 29.443 30.300 0.136 0.000 0.863 148 R HN 0.409 nan 8.270 nan 0.000 0.444 149 Y N 0.102 120.421 120.300 0.032 0.000 2.243 149 Y HA -0.084 4.458 4.550 -0.014 0.000 0.293 149 Y C 2.046 177.949 175.900 0.006 0.000 1.124 149 Y CA 1.352 59.459 58.100 0.012 0.000 1.159 149 Y CB 0.022 38.472 38.460 -0.017 0.000 1.008 149 Y HN 0.078 nan 8.280 nan 0.000 0.527 150 Q N 0.045 119.948 119.800 0.172 0.000 2.084 150 Q HA -0.164 4.168 4.340 -0.014 0.000 0.202 150 Q C 2.542 178.539 176.000 -0.005 0.000 0.978 150 Q CA 2.011 57.862 55.803 0.080 0.000 0.844 150 Q CB -0.390 28.396 28.738 0.081 0.000 0.898 150 Q HN 0.645 nan 8.270 nan 0.000 0.426 151 S N -0.050 115.668 115.700 0.030 0.000 2.377 151 S HA -0.024 4.438 4.470 -0.014 0.000 0.223 151 S C 2.151 176.732 174.600 -0.031 0.000 1.030 151 S CA 0.448 58.657 58.200 0.015 0.000 0.970 151 S CB -0.532 62.698 63.200 0.050 0.000 0.830 151 S HN 0.232 nan 8.310 nan 0.000 0.473 152 L N 0.373 121.567 121.223 -0.049 0.000 1.988 152 L HA 0.107 4.439 4.340 -0.014 0.000 0.207 152 L C 1.330 178.118 176.870 -0.137 0.000 1.071 152 L CA 0.825 55.623 54.840 -0.072 0.000 0.744 152 L CB -0.405 41.625 42.059 -0.049 0.000 0.893 152 L HN 0.343 nan 8.230 nan 0.000 0.433 153 M N 1.466 120.892 119.600 -0.290 0.000 2.350 153 M HA 0.077 4.549 4.480 -0.014 0.000 0.338 153 M C 0.288 176.451 176.300 -0.228 0.000 1.559 153 M CA 0.512 55.604 55.300 -0.348 0.000 1.217 153 M CB 0.036 32.161 32.600 -0.792 0.000 1.808 153 M HN 0.261 nan 8.290 nan 0.000 0.458 154 T N 0.846 115.322 114.554 -0.130 0.000 2.841 154 T HA 0.552 4.894 4.350 -0.014 0.000 0.276 154 T C 1.123 175.774 174.700 -0.082 0.000 1.003 154 T CA -0.850 61.196 62.100 -0.089 0.000 0.995 154 T CB 2.041 70.874 68.868 -0.058 0.000 1.260 154 T HN 0.656 nan 8.240 nan 0.000 0.581 155 R N -0.402 120.056 120.500 -0.069 0.000 2.093 155 R HA 0.147 4.479 4.340 -0.014 0.000 0.224 155 R C 2.704 178.971 176.300 -0.055 0.000 1.101 155 R CA 1.089 57.144 56.100 -0.074 0.000 0.979 155 R CB -0.744 29.517 30.300 -0.064 0.000 0.877 155 R HN 0.778 nan 8.270 nan 0.000 0.441 156 A N 1.197 123.994 122.820 -0.037 0.000 1.933 156 A HA -0.155 4.157 4.320 -0.014 0.000 0.218 156 A C 2.037 179.616 177.584 -0.008 0.000 1.175 156 A CA 1.154 53.178 52.037 -0.021 0.000 0.628 156 A CB -0.283 18.707 19.000 -0.016 0.000 0.814 156 A HN 0.198 nan 8.150 nan 0.000 0.444 157 R N -0.792 119.702 120.500 -0.010 0.000 2.090 157 R HA 0.035 4.367 4.340 -0.014 0.000 0.228 157 R C 2.447 178.776 176.300 0.048 0.000 1.110 157 R CA 0.966 57.073 56.100 0.012 0.000 0.973 157 R CB -0.363 29.936 30.300 -0.001 0.000 0.869 157 R HN 0.498 nan 8.270 nan 0.000 0.440 158 A N 1.469 124.297 122.820 0.013 0.000 1.972 158 A HA -0.164 4.148 4.320 -0.014 0.000 0.219 158 A C 1.897 179.514 177.584 0.054 0.000 1.169 158 A CA 1.225 53.270 52.037 0.013 0.000 0.635 158 A CB -0.208 18.644 19.000 -0.247 0.000 0.810 158 A HN 0.163 nan 8.150 nan 0.000 0.446 159 K N -0.463 119.946 120.400 0.015 0.000 2.057 159 K HA -0.074 4.238 4.320 -0.014 0.000 0.207 159 K C 1.912 178.562 176.600 0.083 0.000 1.049 159 K CA 1.413 57.725 56.287 0.041 0.000 0.931 159 K CB -0.303 32.202 32.500 0.008 0.000 0.714 159 K HN 0.328 nan 8.250 nan 0.000 0.440 160 V N 1.833 121.791 119.914 0.074 0.000 2.295 160 V HA -0.263 3.849 4.120 -0.014 0.000 0.246 160 V C 2.192 178.353 176.094 0.111 0.000 1.049 160 V CA 1.636 63.982 62.300 0.076 0.000 1.024 160 V CB -0.381 31.474 31.823 0.052 0.000 0.648 160 V HN 0.270 nan 8.190 nan 0.000 0.447 161 I N -0.256 120.403 120.570 0.148 0.000 2.113 161 I HA -0.336 3.825 4.170 -0.014 0.000 0.242 161 I C 2.336 178.574 176.117 0.201 0.000 1.064 161 I CA 2.099 63.502 61.300 0.171 0.000 1.320 161 I CB -0.446 37.709 38.000 0.257 0.000 1.028 161 I HN 0.227 nan 8.210 nan 0.000 0.406 162 I N 0.009 120.759 120.570 0.300 0.000 2.163 162 I HA -0.368 3.794 4.170 -0.014 0.000 0.243 162 I C 2.659 178.990 176.117 0.355 0.000 1.085 162 I CA 1.500 63.007 61.300 0.346 0.000 1.347 162 I CB -0.377 37.828 38.000 0.343 0.000 1.044 162 I HN 0.407 nan 8.210 nan 0.000 0.408 163 C N -0.082 119.361 119.300 0.237 0.000 2.446 163 C HA -0.138 4.314 4.460 -0.014 0.000 0.277 163 C C 2.964 178.068 174.990 0.190 0.000 1.275 163 C CA 1.401 60.545 59.018 0.210 0.000 1.727 163 C CB -1.180 26.626 27.740 0.110 0.000 2.010 163 C HN 0.510 nan 8.230 nan 0.000 0.486 164 T N 0.951 115.582 114.554 0.129 0.000 2.759 164 T HA -0.143 4.199 4.350 -0.014 0.000 0.269 164 T C 1.825 176.563 174.700 0.065 0.000 1.042 164 T CA 1.495 63.644 62.100 0.082 0.000 1.140 164 T CB -0.289 68.610 68.868 0.052 0.000 0.864 164 T HN 0.378 nan 8.240 nan 0.000 0.455 165 V N -0.263 119.688 119.914 0.060 0.000 2.295 165 V HA -0.162 3.950 4.120 -0.014 0.000 0.246 165 V C 2.092 178.136 176.094 -0.083 0.000 1.049 165 V CA 1.457 63.723 62.300 -0.056 0.000 1.024 165 V CB -0.678 31.069 31.823 -0.126 0.000 0.648 165 V HN 0.596 nan 8.190 nan 0.000 0.447 166 W N -0.031 121.277 121.300 0.014 0.000 2.374 166 W HA -0.062 4.590 4.660 -0.013 0.000 0.288 166 W C 2.564 179.092 176.519 0.016 0.000 1.218 166 W CA 1.482 58.838 57.345 0.019 0.000 1.245 166 W CB -0.546 28.929 29.460 0.024 0.000 1.126 166 W HN 0.200 nan 8.180 nan 0.000 0.545 167 A N 0.321 123.262 122.820 0.201 0.000 1.855 167 A HA -0.170 4.141 4.320 -0.014 0.000 0.215 167 A C 1.866 179.494 177.584 0.072 0.000 1.191 167 A CA 1.701 53.808 52.037 0.116 0.000 0.613 167 A CB -1.017 18.033 19.000 0.083 0.000 0.829 167 A HN 0.233 nan 8.150 nan 0.000 0.442 168 I N -0.033 120.560 120.570 0.037 0.000 2.194 168 I HA -0.282 3.879 4.170 -0.014 0.000 0.246 168 I C 2.700 178.816 176.117 -0.001 0.000 1.093 168 I CA 1.630 62.934 61.300 0.006 0.000 1.355 168 I CB -0.295 37.689 38.000 -0.026 0.000 1.046 168 I HN 0.248 nan 8.210 nan 0.000 0.413 169 S N 0.450 116.134 115.700 -0.027 0.000 2.355 169 S HA -0.093 4.368 4.470 -0.014 0.000 0.222 169 S C 2.252 176.887 174.600 0.059 0.000 1.031 169 S CA 1.220 59.389 58.200 -0.052 0.000 0.993 169 S CB -0.298 62.782 63.200 -0.200 0.000 0.859 169 S HN 0.542 nan 8.310 nan 0.000 0.453 170 A N 1.383 124.290 122.820 0.147 0.000 1.933 170 A HA -0.047 4.264 4.320 -0.014 0.000 0.218 170 A C 2.099 179.805 177.584 0.203 0.000 1.175 170 A CA 1.294 53.489 52.037 0.264 0.000 0.628 170 A CB -0.713 18.399 19.000 0.187 0.000 0.814 170 A HN 0.415 nan 8.150 nan 0.000 0.444 171 L N -0.239 121.049 121.223 0.108 0.000 2.012 171 L HA -0.110 4.221 4.340 -0.014 0.000 0.210 171 L C 2.250 179.165 176.870 0.075 0.000 1.073 171 L CA 2.043 56.929 54.840 0.077 0.000 0.748 171 L CB -0.479 41.610 42.059 0.051 0.000 0.891 171 L HN 0.133 nan 8.230 nan 0.000 0.431 172 V N -0.667 119.285 119.914 0.064 0.000 3.306 172 V HA -0.084 4.027 4.120 -0.014 0.000 0.264 172 V C 2.249 178.381 176.094 0.064 0.000 1.149 172 V CA 1.233 63.566 62.300 0.055 0.000 1.143 172 V CB -0.281 31.554 31.823 0.021 0.000 0.767 172 V HN 0.761 nan 8.190 nan 0.000 0.476 173 S N -1.668 114.072 115.700 0.067 0.000 2.748 173 S HA 0.104 4.565 4.470 -0.014 0.000 0.241 173 S C 1.788 176.358 174.600 -0.050 0.000 1.064 173 S CA 0.224 58.428 58.200 0.006 0.000 0.892 173 S CB -0.502 62.657 63.200 -0.068 0.000 0.810 173 S HN 0.313 nan 8.310 nan 0.000 0.555 174 F N 2.141 122.070 119.950 -0.034 0.000 2.060 174 F HA 0.110 4.630 4.527 -0.013 0.000 0.295 174 F C 2.485 178.241 175.800 -0.074 0.000 1.120 174 F CA 1.107 59.075 58.000 -0.053 0.000 1.205 174 F CB -0.381 38.598 39.000 -0.034 0.000 0.986 174 F HN 0.146 nan 8.300 nan 0.000 0.470 175 L N 0.702 121.995 121.223 0.117 0.000 1.990 175 L HA -0.178 4.153 4.340 -0.014 0.000 0.213 175 L C -0.453 176.247 176.870 -0.282 0.000 1.072 175 L CA 2.578 57.374 54.840 -0.072 0.000 0.755 175 L CB -2.323 39.675 42.059 -0.102 0.000 0.889 175 L HN 0.051 nan 8.230 nan 0.000 0.432 176 P HA -0.082 nan 4.420 nan 0.000 0.221 176 P C 2.003 179.258 177.300 -0.074 0.000 1.150 176 P CA 1.178 64.050 63.100 -0.379 0.000 0.800 176 P CB 0.122 31.912 31.700 0.150 0.000 0.787 177 I N -1.814 118.778 120.570 0.036 0.000 2.500 177 I HA -0.131 4.031 4.170 -0.014 0.000 0.252 177 I C 1.871 178.173 176.117 0.307 0.000 1.142 177 I CA 1.092 62.481 61.300 0.149 0.000 1.451 177 I CB -0.432 37.451 38.000 -0.196 0.000 1.093 177 I HN -0.098 nan 8.210 nan 0.000 0.430 178 M N -0.358 119.308 119.600 0.110 0.000 2.562 178 M HA 0.024 4.496 4.480 -0.014 0.000 0.257 178 M C 1.715 178.017 176.300 0.004 0.000 1.099 178 M CA 1.155 56.524 55.300 0.115 0.000 1.099 178 M CB -0.483 32.173 32.600 0.094 0.000 1.427 178 M HN 0.214 nan 8.290 nan 0.000 0.489 179 M N -1.955 117.577 119.600 -0.113 0.000 2.428 179 M HA 0.110 4.582 4.480 -0.014 0.000 0.239 179 M C 0.111 176.446 176.300 0.058 0.000 1.121 179 M CA 0.383 55.572 55.300 -0.184 0.000 1.019 179 M CB -0.747 31.477 32.600 -0.627 0.000 1.485 179 M HN 0.462 nan 8.290 nan 0.000 0.484 180 H N -3.274 115.745 119.070 -0.086 0.000 3.415 180 H HA -0.211 4.336 4.556 -0.014 0.000 0.213 180 H C 0.276 175.401 175.328 -0.338 0.000 1.091 180 H CA 0.346 56.148 56.048 -0.409 0.000 1.182 180 H CB -1.367 28.168 29.762 -0.378 0.000 1.160 180 H HN 0.437 nan 8.280 nan 0.000 0.319 181 W N 1.235 122.475 121.300 -0.101 0.000 2.504 181 W HA -0.182 4.471 4.660 -0.011 0.000 0.257 181 W C 2.034 178.497 176.519 -0.093 0.000 1.225 181 W CA 1.304 58.626 57.345 -0.039 0.000 1.205 181 W CB -1.028 28.509 29.460 0.130 0.000 1.137 181 W HN 0.643 nan 8.180 nan 0.000 0.612 182 W N 0.276 121.495 121.300 -0.135 0.000 3.077 182 W HA 0.257 4.907 4.660 -0.016 0.000 0.266 182 W C 0.432 176.813 176.519 -0.230 0.000 1.300 182 W CA -0.473 56.593 57.345 -0.467 0.000 1.586 182 W CB -0.954 27.876 29.460 -1.050 0.000 1.103 182 W HN -0.306 nan 8.180 nan 0.000 0.652 183 R N 2.407 122.495 120.500 -0.687 0.000 2.590 183 R HA 0.057 4.389 4.340 -0.014 0.000 0.274 183 R C -0.447 175.807 176.300 -0.077 0.000 1.061 183 R CA 0.220 55.992 56.100 -0.546 0.000 1.081 183 R CB 0.612 30.374 30.300 -0.897 0.000 0.984 183 R HN -0.118 nan 8.270 nan 0.000 0.448 184 D N 0.745 121.224 120.400 0.131 0.000 2.487 184 D HA 0.125 4.757 4.640 -0.014 0.000 0.262 184 D C 0.248 176.592 176.300 0.074 0.000 1.130 184 D CA -0.397 53.644 54.000 0.068 0.000 1.038 184 D CB 1.164 41.983 40.800 0.031 0.000 1.142 184 D HN 0.452 nan 8.370 nan 0.000 0.575 185 E N -0.756 119.453 120.200 0.015 0.000 2.539 185 E HA 0.089 4.431 4.350 -0.014 0.000 0.215 185 E C -0.619 175.968 176.600 -0.021 0.000 0.965 185 E CA -0.295 56.108 56.400 0.005 0.000 1.019 185 E CB 0.511 30.209 29.700 -0.004 0.000 1.059 185 E HN 0.374 nan 8.360 nan 0.000 0.496 186 D N 1.637 122.016 120.400 -0.036 0.000 2.703 186 D HA -0.094 4.538 4.640 -0.014 0.000 0.225 186 D C -1.545 174.714 176.300 -0.069 0.000 1.119 186 D CA -0.901 53.067 54.000 -0.053 0.000 0.845 186 D CB 0.906 41.667 40.800 -0.066 0.000 1.182 186 D HN -0.179 nan 8.370 nan 0.000 0.493 187 P HA -0.233 nan 4.420 nan 0.000 0.214 187 P C 1.080 178.330 177.300 -0.084 0.000 1.172 187 P CA 1.930 64.997 63.100 -0.056 0.000 0.925 187 P CB 0.037 31.712 31.700 -0.042 0.000 0.793 188 Q N -1.196 118.549 119.800 -0.091 0.000 2.170 188 Q HA -0.116 4.216 4.340 -0.014 0.000 0.203 188 Q C 2.197 178.083 176.000 -0.191 0.000 0.976 188 Q CA 1.532 57.270 55.803 -0.109 0.000 0.858 188 Q CB -0.648 28.038 28.738 -0.088 0.000 0.907 188 Q HN 0.205 nan 8.270 nan 0.000 0.433 189 A N 0.845 123.511 122.820 -0.257 0.000 1.873 189 A HA -0.158 4.154 4.320 -0.014 0.000 0.215 189 A C 2.051 179.178 177.584 -0.761 0.000 1.186 189 A CA 1.133 52.851 52.037 -0.531 0.000 0.616 189 A CB -0.657 18.096 19.000 -0.412 0.000 0.823 189 A HN 0.295 nan 8.150 nan 0.000 0.442 190 L N -0.519 120.498 121.223 -0.342 0.000 2.046 190 L HA -0.199 4.133 4.340 -0.014 0.000 0.208 190 L C 2.585 179.397 176.870 -0.097 0.000 1.077 190 L CA 1.938 56.700 54.840 -0.131 0.000 0.747 190 L CB -0.484 41.559 42.059 -0.027 0.000 0.896 190 L HN 0.442 nan 8.230 nan 0.000 0.432 191 K N -0.204 120.130 120.400 -0.111 0.000 2.103 191 K HA -0.252 4.060 4.320 -0.014 0.000 0.207 191 K C 2.295 178.862 176.600 -0.056 0.000 1.048 191 K CA 1.877 58.127 56.287 -0.060 0.000 0.930 191 K CB -0.270 32.197 32.500 -0.054 0.000 0.716 191 K HN 0.433 nan 8.250 nan 0.000 0.444 192 c N 0.621 119.137 118.600 -0.141 0.000 2.468 192 c HA 0.056 4.618 4.570 -0.014 0.000 0.277 192 c C 1.765 175.876 174.090 0.035 0.000 1.400 192 c CA -0.239 56.041 56.329 -0.082 0.000 1.770 192 c CB -1.013 41.424 42.510 -0.122 0.000 1.905 192 c HN 0.496 nan 8.230 nan 0.000 0.519 193 Y N 0.733 121.055 120.300 0.036 0.000 2.502 193 Y HA 0.197 4.737 4.550 -0.017 0.000 0.295 193 Y C 2.326 178.247 175.900 0.036 0.000 1.193 193 Y CA 0.525 58.640 58.100 0.026 0.000 1.295 193 Y CB -0.818 37.618 38.460 -0.041 0.000 1.059 193 Y HN 0.546 nan 8.280 nan 0.000 0.514 194 Q N -0.935 118.959 119.800 0.157 0.000 2.103 194 Q HA 0.084 4.416 4.340 -0.014 0.000 0.219 194 Q C -0.618 175.439 176.000 0.095 0.000 0.784 194 Q CA 0.037 55.908 55.803 0.113 0.000 1.014 194 Q CB 0.908 29.694 28.738 0.080 0.000 1.183 194 Q HN 0.182 nan 8.270 nan 0.000 0.469 195 D N 1.617 122.078 120.400 0.102 0.000 2.381 195 D HA 0.155 4.787 4.640 -0.014 0.000 0.235 195 D C -1.814 174.565 176.300 0.132 0.000 1.068 195 D CA -2.076 51.983 54.000 0.098 0.000 0.832 195 D CB 1.594 42.442 40.800 0.080 0.000 1.101 195 D HN -0.117 nan 8.370 nan 0.000 0.515 196 P HA 0.151 nan 4.420 nan 0.000 0.245 196 P C 0.882 178.318 177.300 0.226 0.000 1.212 196 P CA 0.144 63.350 63.100 0.176 0.000 0.774 196 P CB 0.527 32.322 31.700 0.158 0.000 0.999 197 G N -1.081 107.834 108.800 0.191 0.000 3.020 197 G HA2 -0.012 3.940 3.960 -0.014 0.000 0.217 197 G HA3 -0.012 3.940 3.960 -0.014 0.000 0.217 197 G C 0.054 175.099 174.900 0.241 0.000 1.144 197 G CA 0.021 45.255 45.100 0.224 0.000 0.760 197 G HN 0.342 nan 8.290 nan 0.000 0.548 198 c N 0.841 119.554 118.600 0.189 0.000 2.482 198 c HA 0.539 5.101 4.570 -0.014 0.000 0.378 198 c C 0.973 175.157 174.090 0.156 0.000 1.284 198 c CA -0.630 55.800 56.329 0.169 0.000 1.826 198 c CB -0.647 41.941 42.510 0.131 0.000 2.473 198 c HN 0.323 nan 8.230 nan 0.000 0.562 199 c N 6.480 125.168 118.600 0.147 0.000 2.955 199 c HA 0.351 4.913 4.570 -0.014 0.000 0.229 199 c C -0.273 173.905 174.090 0.146 0.000 1.842 199 c CA -0.601 55.736 56.329 0.012 0.000 1.539 199 c CB -1.911 40.379 42.510 -0.367 0.000 2.869 199 c HN 0.921 nan 8.230 nan 0.000 0.503 200 D N 0.872 121.386 120.400 0.190 0.000 2.302 200 D HA 0.197 4.829 4.640 -0.014 0.000 0.248 200 D C -0.245 176.224 176.300 0.281 0.000 1.094 200 D CA -0.013 54.119 54.000 0.220 0.000 0.897 200 D CB 0.570 41.463 40.800 0.154 0.000 1.200 200 D HN 0.342 nan 8.370 nan 0.000 0.429 201 F N 2.960 122.935 119.950 0.042 0.000 2.560 201 F HA 0.180 4.704 4.527 -0.005 0.000 0.338 201 F C -0.418 175.438 175.800 0.094 0.000 1.201 201 F CA -1.021 56.950 58.000 -0.049 0.000 1.291 201 F CB -0.178 38.732 39.000 -0.149 0.000 1.627 201 F HN -0.037 nan 8.300 nan 0.000 0.588 202 V N 3.745 123.761 119.914 0.170 0.000 2.381 202 V HA 0.133 4.245 4.120 -0.014 0.000 0.257 202 V C 0.780 176.945 176.094 0.118 0.000 1.057 202 V CA -0.021 62.314 62.300 0.059 0.000 1.013 202 V CB -0.274 31.544 31.823 -0.008 0.000 1.069 202 V HN 0.660 nan 8.190 nan 0.000 0.484 203 T N 2.101 116.626 114.554 -0.047 0.000 2.897 203 T HA 0.482 4.824 4.350 -0.014 0.000 0.278 203 T C 0.003 174.738 174.700 0.058 0.000 0.981 203 T CA -0.887 61.218 62.100 0.008 0.000 0.973 203 T CB 1.329 70.152 68.868 -0.075 0.000 1.092 203 T HN 0.676 nan 8.240 nan 0.000 0.543 204 N N -0.479 118.278 118.700 0.096 0.000 2.463 204 N HA 0.318 5.050 4.740 -0.014 0.000 0.270 204 N C 0.832 176.378 175.510 0.059 0.000 1.205 204 N CA -1.055 52.031 53.050 0.059 0.000 0.974 204 N CB 0.716 39.236 38.487 0.055 0.000 1.197 204 N HN 0.611 nan 8.380 nan 0.000 0.504 205 R N -0.099 120.401 120.500 -0.001 0.000 2.120 205 R HA -0.098 4.234 4.340 -0.014 0.000 0.234 205 R C 1.787 178.079 176.300 -0.013 0.000 1.123 205 R CA 1.621 57.694 56.100 -0.045 0.000 0.975 205 R CB -0.581 29.653 30.300 -0.111 0.000 0.866 205 R HN 0.755 nan 8.270 nan 0.000 0.446 206 A N 0.211 123.049 122.820 0.030 0.000 1.854 206 A HA -0.195 4.116 4.320 -0.014 0.000 0.214 206 A C 1.977 179.623 177.584 0.103 0.000 1.192 206 A CA 1.078 53.144 52.037 0.047 0.000 0.611 206 A CB -0.749 18.278 19.000 0.044 0.000 0.832 206 A HN 0.435 nan 8.150 nan 0.000 0.442 207 Y N 0.795 121.138 120.300 0.072 0.000 2.181 207 Y HA -0.109 4.430 4.550 -0.019 0.000 0.288 207 Y C 2.598 178.561 175.900 0.105 0.000 1.146 207 Y CA 1.260 59.438 58.100 0.130 0.000 1.164 207 Y CB -0.429 38.143 38.460 0.186 0.000 0.982 207 Y HN 0.310 nan 8.280 nan 0.000 0.515 208 A N 0.277 123.155 122.820 0.095 0.000 1.908 208 A HA -0.175 4.137 4.320 -0.014 0.000 0.218 208 A C 2.239 179.821 177.584 -0.002 0.000 1.181 208 A CA 2.134 54.189 52.037 0.031 0.000 0.627 208 A CB -1.018 18.013 19.000 0.051 0.000 0.818 208 A HN 0.582 nan 8.150 nan 0.000 0.445 209 I N -0.776 119.791 120.570 -0.005 0.000 2.277 209 I HA -0.124 4.038 4.170 -0.014 0.000 0.243 209 I C 2.949 179.076 176.117 0.016 0.000 1.094 209 I CA 0.802 62.117 61.300 0.024 0.000 1.393 209 I CB -0.380 37.621 38.000 0.002 0.000 1.078 209 I HN 0.313 nan 8.210 nan 0.000 0.417 210 A N 0.045 122.849 122.820 -0.027 0.000 1.883 210 A HA -0.253 4.058 4.320 -0.014 0.000 0.217 210 A C 2.501 180.038 177.584 -0.079 0.000 1.186 210 A CA 2.387 54.406 52.037 -0.030 0.000 0.624 210 A CB -0.931 18.068 19.000 -0.002 0.000 0.822 210 A HN 0.370 nan 8.150 nan 0.000 0.444 211 S N -0.574 114.973 115.700 -0.256 0.000 2.359 211 S HA -0.144 4.318 4.470 -0.014 0.000 0.224 211 S C 2.324 176.905 174.600 -0.032 0.000 1.035 211 S CA 1.905 59.935 58.200 -0.284 0.000 1.018 211 S CB -0.432 62.352 63.200 -0.693 0.000 0.876 211 S HN 0.601 nan 8.310 nan 0.000 0.448 212 S N 1.387 117.137 115.700 0.084 0.000 2.359 212 S HA -0.047 4.415 4.470 -0.014 0.000 0.224 212 S C 1.791 176.515 174.600 0.207 0.000 1.035 212 S CA 1.630 59.959 58.200 0.215 0.000 1.018 212 S CB -0.513 62.944 63.200 0.428 0.000 0.876 212 S HN 0.530 nan 8.310 nan 0.000 0.448 213 I N 0.778 121.487 120.570 0.232 0.000 2.179 213 I HA -0.181 3.981 4.170 -0.014 0.000 0.242 213 I C 2.038 178.194 176.117 0.066 0.000 1.088 213 I CA 1.340 62.756 61.300 0.194 0.000 1.357 213 I CB -0.393 37.660 38.000 0.089 0.000 1.051 213 I HN 0.243 nan 8.210 nan 0.000 0.409 214 I N -0.134 120.447 120.570 0.018 0.000 2.333 214 I HA -0.183 3.978 4.170 -0.014 0.000 0.246 214 I C 2.444 178.528 176.117 -0.055 0.000 1.106 214 I CA 1.125 62.414 61.300 -0.018 0.000 1.411 214 I CB -0.113 37.884 38.000 -0.005 0.000 1.082 214 I HN 0.057 nan 8.210 nan 0.000 0.420 215 S N -0.473 115.190 115.700 -0.063 0.000 2.446 215 S HA 0.038 4.500 4.470 -0.014 0.000 0.225 215 S C 1.348 175.847 174.600 -0.168 0.000 1.016 215 S CA 0.831 58.972 58.200 -0.099 0.000 0.943 215 S CB 0.100 63.265 63.200 -0.058 0.000 0.786 215 S HN 0.415 nan 8.310 nan 0.000 0.508 216 F N -0.383 119.291 119.950 -0.459 0.000 2.362 216 F HA 0.298 4.816 4.527 -0.015 0.000 0.264 216 F C 1.457 176.981 175.800 -0.460 0.000 0.905 216 F CA -0.169 57.411 58.000 -0.700 0.000 1.142 216 F CB -0.388 37.628 39.000 -1.640 0.000 1.250 216 F HN -0.032 nan 8.300 nan 0.000 0.771 217 Y N 1.399 121.542 120.300 -0.260 0.000 2.128 217 Y HA -0.218 4.323 4.550 -0.014 0.000 0.284 217 Y C 2.428 178.163 175.900 -0.274 0.000 1.154 217 Y CA 2.302 60.245 58.100 -0.262 0.000 1.149 217 Y CB -0.887 37.543 38.460 -0.050 0.000 0.976 217 Y HN 0.105 nan 8.280 nan 0.000 0.505 218 I N -0.249 120.292 120.570 -0.049 0.000 2.142 218 I HA -0.234 3.927 4.170 -0.014 0.000 0.240 218 I C -0.602 175.420 176.117 -0.160 0.000 1.078 218 I CA 1.201 62.447 61.300 -0.090 0.000 1.343 218 I CB -1.527 36.429 38.000 -0.074 0.000 1.046 218 I HN 0.149 nan 8.210 nan 0.000 0.405 219 P HA -0.169 nan 4.420 nan 0.000 0.218 219 P C 1.813 178.942 177.300 -0.284 0.000 1.149 219 P CA 1.117 64.072 63.100 -0.243 0.000 0.817 219 P CB 0.026 31.562 31.700 -0.273 0.000 0.785 220 L N -0.892 120.084 121.223 -0.411 0.000 2.017 220 L HA -0.150 4.182 4.340 -0.014 0.000 0.208 220 L C 2.201 178.954 176.870 -0.194 0.000 1.073 220 L CA 1.780 56.382 54.840 -0.398 0.000 0.745 220 L CB -1.229 40.412 42.059 -0.697 0.000 0.894 220 L HN -0.143 nan 8.230 nan 0.000 0.432 221 L N -0.885 120.252 121.223 -0.143 0.000 2.012 221 L HA -0.264 4.068 4.340 -0.014 0.000 0.210 221 L C 2.527 179.366 176.870 -0.052 0.000 1.073 221 L CA 1.689 56.486 54.840 -0.072 0.000 0.748 221 L CB -0.603 41.414 42.059 -0.070 0.000 0.891 221 L HN 0.296 nan 8.230 nan 0.000 0.431 222 I N -0.813 119.701 120.570 -0.093 0.000 2.226 222 I HA -0.345 3.816 4.170 -0.014 0.000 0.245 222 I C 2.668 178.775 176.117 -0.017 0.000 1.100 222 I CA 1.438 62.700 61.300 -0.064 0.000 1.374 222 I CB -0.247 37.689 38.000 -0.107 0.000 1.057 222 I HN 0.350 nan 8.210 nan 0.000 0.413 223 M N 0.542 120.095 119.600 -0.078 0.000 2.229 223 M HA -0.166 4.306 4.480 -0.014 0.000 0.264 223 M C 2.299 178.577 176.300 -0.037 0.000 1.063 223 M CA 1.824 57.077 55.300 -0.078 0.000 1.114 223 M CB 0.004 32.522 32.600 -0.137 0.000 1.387 223 M HN 0.168 nan 8.290 nan 0.000 0.420 224 I N -0.322 120.237 120.570 -0.018 0.000 2.133 224 I HA -0.326 3.836 4.170 -0.014 0.000 0.238 224 I C 2.250 178.388 176.117 0.036 0.000 1.074 224 I CA 1.401 62.704 61.300 0.004 0.000 1.342 224 I CB -0.564 37.443 38.000 0.011 0.000 1.053 224 I HN 0.228 nan 8.210 nan 0.000 0.404 225 F N 1.436 121.338 119.950 -0.079 0.000 2.045 225 F HA -0.320 4.200 4.527 -0.013 0.000 0.297 225 F C 2.363 178.104 175.800 -0.098 0.000 1.114 225 F CA 2.170 60.121 58.000 -0.082 0.000 1.207 225 F CB -0.529 38.415 39.000 -0.094 0.000 0.964 225 F HN -0.193 nan 8.300 nan 0.000 0.486 226 V N 0.414 120.324 119.914 -0.006 0.000 2.594 226 V HA -0.271 3.841 4.120 -0.014 0.000 0.253 226 V C 2.638 178.662 176.094 -0.118 0.000 1.069 226 V CA 1.569 63.770 62.300 -0.164 0.000 1.082 226 V CB -1.543 30.233 31.823 -0.079 0.000 0.680 226 V HN 0.557 nan 8.190 nan 0.000 0.469 227 A N -0.098 122.684 122.820 -0.063 0.000 1.929 227 A HA -0.069 4.243 4.320 -0.014 0.000 0.216 227 A C 2.161 179.740 177.584 -0.009 0.000 1.176 227 A CA 1.389 53.411 52.037 -0.024 0.000 0.628 227 A CB -0.413 18.572 19.000 -0.026 0.000 0.816 227 A HN 0.508 nan 8.150 nan 0.000 0.444 228 L N -1.001 120.184 121.223 -0.064 0.000 2.201 228 L HA -0.121 4.211 4.340 -0.014 0.000 0.212 228 L C 2.770 179.642 176.870 0.004 0.000 1.105 228 L CA 0.712 55.533 54.840 -0.031 0.000 0.775 228 L CB -0.435 41.572 42.059 -0.087 0.000 0.913 228 L HN 0.279 nan 8.230 nan 0.000 0.440 229 R N -0.246 120.188 120.500 -0.109 0.000 2.073 229 R HA -0.064 4.268 4.340 -0.014 0.000 0.229 229 R C 2.285 178.686 176.300 0.168 0.000 1.120 229 R CA 1.012 57.103 56.100 -0.014 0.000 0.967 229 R CB -0.700 29.490 30.300 -0.184 0.000 0.862 229 R HN 0.219 nan 8.270 nan 0.000 0.436 230 V N 0.779 120.801 119.914 0.181 0.000 2.332 230 V HA -0.281 3.830 4.120 -0.014 0.000 0.248 230 V C 2.108 178.233 176.094 0.053 0.000 1.055 230 V CA 1.752 64.129 62.300 0.127 0.000 1.038 230 V CB -0.701 31.181 31.823 0.099 0.000 0.651 230 V HN 0.236 nan 8.190 nan 0.000 0.450 231 Y N 1.298 121.572 120.300 -0.043 0.000 2.070 231 Y HA -0.268 4.274 4.550 -0.013 0.000 0.280 231 Y C 2.736 178.606 175.900 -0.049 0.000 1.148 231 Y CA 1.994 60.057 58.100 -0.061 0.000 1.125 231 Y CB -0.318 38.112 38.460 -0.050 0.000 0.975 231 Y HN 0.082 nan 8.280 nan 0.000 0.492 232 R N -0.093 120.396 120.500 -0.019 0.000 2.091 232 R HA -0.170 4.161 4.340 -0.014 0.000 0.238 232 R C 2.117 178.348 176.300 -0.115 0.000 1.136 232 R CA 1.591 57.637 56.100 -0.090 0.000 0.959 232 R CB -0.223 30.080 30.300 0.005 0.000 0.856 232 R HN 0.345 nan 8.270 nan 0.000 0.437 233 E N 0.295 120.448 120.200 -0.078 0.000 2.106 233 E HA -0.116 4.225 4.350 -0.014 0.000 0.192 233 E C 1.943 178.476 176.600 -0.110 0.000 0.984 233 E CA 1.311 57.653 56.400 -0.096 0.000 0.806 233 E CB -0.216 29.406 29.700 -0.129 0.000 0.750 233 E HN 0.355 nan 8.360 nan 0.000 0.458 234 A N 1.290 124.015 122.820 -0.159 0.000 1.930 234 A HA -0.179 4.133 4.320 -0.014 0.000 0.217 234 A C 2.147 179.681 177.584 -0.082 0.000 1.175 234 A CA 1.606 53.535 52.037 -0.180 0.000 0.627 234 A CB -0.350 18.381 19.000 -0.450 0.000 0.815 234 A HN 0.125 nan 8.150 nan 0.000 0.443 235 K N -0.460 119.796 120.400 -0.240 0.000 2.063 235 K HA -0.171 4.140 4.320 -0.014 0.000 0.208 235 K C 1.991 178.536 176.600 -0.092 0.000 1.048 235 K CA 1.587 57.747 56.287 -0.212 0.000 0.928 235 K CB -0.132 32.154 32.500 -0.358 0.000 0.713 235 K HN 0.572 nan 8.250 nan 0.000 0.442 236 E N 0.214 120.364 120.200 -0.083 0.000 2.268 236 E HA -0.164 4.178 4.350 -0.014 0.000 0.195 236 E C 1.829 178.412 176.600 -0.030 0.000 0.995 236 E CA 0.773 57.144 56.400 -0.050 0.000 0.836 236 E CB 0.226 29.897 29.700 -0.048 0.000 0.763 236 E HN 0.391 nan 8.360 nan 0.000 0.491 237 Q N -0.060 119.734 119.800 -0.010 0.000 2.297 237 Q HA -0.112 4.220 4.340 -0.014 0.000 0.204 237 Q C 1.983 177.970 176.000 -0.022 0.000 0.962 237 Q CA 0.739 56.543 55.803 0.002 0.000 0.879 237 Q CB 0.013 28.784 28.738 0.056 0.000 0.947 237 Q HN 0.366 nan 8.270 nan 0.000 0.462 238 I N -3.005 117.555 120.570 -0.016 0.000 3.793 238 I HA 0.133 4.295 4.170 -0.014 0.000 0.315 238 I C 0.638 176.731 176.117 -0.040 0.000 1.275 238 I CA -0.090 61.180 61.300 -0.050 0.000 1.214 238 I CB 0.066 38.038 38.000 -0.046 0.000 1.018 238 I HN -0.188 nan 8.210 nan 0.000 0.439 239 R N 2.705 123.186 120.500 -0.031 0.000 2.537 239 R HA 0.084 4.415 4.340 -0.014 0.000 0.280 239 R C 0.246 176.529 176.300 -0.028 0.000 1.058 239 R CA 0.268 56.352 56.100 -0.026 0.000 1.057 239 R CB 0.273 30.560 30.300 -0.022 0.000 0.973 239 R HN 0.361 nan 8.270 nan 0.000 0.438 240 K N 1.621 122.007 120.400 -0.024 0.000 3.512 240 K HA -0.234 4.078 4.320 -0.014 0.000 0.309 240 K C 0.948 177.530 176.600 -0.030 0.000 1.350 240 K CA 1.005 57.278 56.287 -0.024 0.000 0.960 240 K CB -1.059 31.428 32.500 -0.022 0.000 1.290 240 K HN 0.650 nan 8.250 nan 0.000 0.454 241 I N 1.029 121.576 120.570 -0.038 0.000 2.703 241 I HA -0.118 4.044 4.170 -0.014 0.000 0.259 241 I C 0.937 177.031 176.117 -0.038 0.000 1.151 241 I CA 0.989 62.260 61.300 -0.049 0.000 1.470 241 I CB 0.170 38.125 38.000 -0.075 0.000 1.112 241 I HN 0.139 nan 8.210 nan 0.000 0.437 242 D N 1.187 121.569 120.400 -0.030 0.000 2.352 242 D HA 0.017 4.648 4.640 -0.014 0.000 0.232 242 D C 0.913 177.202 176.300 -0.018 0.000 1.055 242 D CA 0.254 54.241 54.000 -0.022 0.000 0.891 242 D CB -0.009 40.781 40.800 -0.016 0.000 0.897 242 D HN 0.262 nan 8.370 nan 0.000 0.529 273 S N 0.265 115.958 115.700 -0.011 0.000 2.595 273 S HA 0.076 4.537 4.470 -0.014 0.000 0.235 273 S C 1.078 175.671 174.600 -0.013 0.000 0.974 273 S CA 1.427 59.621 58.200 -0.010 0.000 0.942 273 S CB -0.228 62.967 63.200 -0.009 0.000 0.766 273 S HN 0.536 nan 8.310 nan 0.000 0.536 274 K N 0.382 120.772 120.400 -0.016 0.000 2.477 274 K HA 0.211 4.523 4.320 -0.014 0.000 0.208 274 K C 1.896 178.482 176.600 -0.023 0.000 1.117 274 K CA -0.092 56.183 56.287 -0.020 0.000 1.039 274 K CB 0.352 32.837 32.500 -0.025 0.000 0.937 274 K HN 0.463 nan 8.250 nan 0.000 0.570 275 R N 1.253 121.741 120.500 -0.020 0.000 2.148 275 R HA 0.024 4.356 4.340 -0.014 0.000 0.223 275 R C 1.856 178.144 176.300 -0.019 0.000 1.088 275 R CA 1.125 57.213 56.100 -0.020 0.000 0.985 275 R CB 0.069 30.360 30.300 -0.016 0.000 0.880 275 R HN -0.142 nan 8.270 nan 0.000 0.451 276 K N 0.016 120.407 120.400 -0.016 0.000 2.062 276 K HA -0.025 4.287 4.320 -0.014 0.000 0.205 276 K C 0.697 177.288 176.600 -0.016 0.000 1.051 276 K CA 1.899 58.178 56.287 -0.014 0.000 0.941 276 K CB 0.311 32.805 32.500 -0.011 0.000 0.719 276 K HN 0.328 nan 8.250 nan 0.000 0.440 277 T N -1.661 112.882 114.554 -0.018 0.000 3.358 277 T HA 0.038 4.379 4.350 -0.014 0.000 0.263 277 T C 1.635 176.319 174.700 -0.026 0.000 0.998 277 T CA -0.024 62.065 62.100 -0.019 0.000 1.130 277 T CB -0.113 68.746 68.868 -0.015 0.000 1.165 277 T HN -0.041 nan 8.240 nan 0.000 0.426 278 S N 0.994 116.678 115.700 -0.026 0.000 2.484 278 S HA -0.097 4.365 4.470 -0.014 0.000 0.250 278 S C 1.911 176.481 174.600 -0.050 0.000 0.995 278 S CA 1.134 59.314 58.200 -0.034 0.000 0.967 278 S CB -0.129 63.053 63.200 -0.030 0.000 0.752 278 S HN 0.270 nan 8.310 nan 0.000 0.517 279 R N -0.068 120.403 120.500 -0.048 0.000 2.164 279 R HA 0.129 4.460 4.340 -0.014 0.000 0.198 279 R C 1.950 178.213 176.300 -0.061 0.000 1.028 279 R CA 0.588 56.651 56.100 -0.062 0.000 1.083 279 R CB -0.178 30.092 30.300 -0.050 0.000 1.026 279 R HN 0.280 nan 8.270 nan 0.000 0.514 280 V N 2.029 121.918 119.914 -0.042 0.000 2.287 280 V HA -0.297 3.814 4.120 -0.014 0.000 0.248 280 V C 2.579 178.651 176.094 -0.037 0.000 1.053 280 V CA 1.618 63.898 62.300 -0.033 0.000 1.027 280 V CB -0.372 31.438 31.823 -0.022 0.000 0.646 280 V HN 0.309 nan 8.190 nan 0.000 0.447 281 M N -0.986 118.591 119.600 -0.038 0.000 2.108 281 M HA -0.160 4.312 4.480 -0.014 0.000 0.261 281 M C 2.188 178.458 176.300 -0.050 0.000 1.066 281 M CA 1.817 57.095 55.300 -0.037 0.000 1.107 281 M CB -1.241 31.338 32.600 -0.035 0.000 1.356 281 M HN 0.353 nan 8.290 nan 0.000 0.406 282 L N -0.311 120.860 121.223 -0.087 0.000 2.313 282 L HA -0.031 4.300 4.340 -0.014 0.000 0.214 282 L C 2.209 178.951 176.870 -0.212 0.000 1.119 282 L CA 0.962 55.707 54.840 -0.159 0.000 0.809 282 L CB -0.272 41.652 42.059 -0.224 0.000 0.933 282 L HN 0.149 nan 8.230 nan 0.000 0.449 283 M N -1.246 118.278 119.600 -0.127 0.000 2.236 283 M HA -0.106 4.366 4.480 -0.014 0.000 0.266 283 M C 2.344 178.649 176.300 0.008 0.000 1.070 283 M CA 1.250 56.507 55.300 -0.072 0.000 1.137 283 M CB -0.938 31.635 32.600 -0.045 0.000 1.378 283 M HN 0.231 nan 8.290 nan 0.000 0.426 284 R N 0.348 120.851 120.500 0.005 0.000 2.096 284 R HA -0.147 4.184 4.340 -0.014 0.000 0.235 284 R C 1.893 178.227 176.300 0.056 0.000 1.127 284 R CA 1.382 57.499 56.100 0.028 0.000 0.968 284 R CB 0.065 30.371 30.300 0.010 0.000 0.861 284 R HN 0.454 nan 8.270 nan 0.000 0.440 285 E N -1.125 119.114 120.200 0.065 0.000 2.046 285 E HA -0.154 4.188 4.350 -0.014 0.000 0.190 285 E C 1.812 178.520 176.600 0.181 0.000 0.982 285 E CA 0.948 57.412 56.400 0.107 0.000 0.800 285 E CB -0.036 29.731 29.700 0.112 0.000 0.756 285 E HN 0.563 nan 8.360 nan 0.000 0.449 286 H N -0.006 119.065 119.070 0.002 0.000 2.491 286 H HA -0.029 4.519 4.556 -0.014 0.000 0.290 286 H C 2.079 177.426 175.328 0.033 0.000 1.050 286 H CA 0.560 56.616 56.048 0.013 0.000 1.309 286 H CB 0.293 30.056 29.762 0.002 0.000 1.392 286 H HN 0.007 nan 8.280 nan 0.000 0.554 287 K N 1.035 121.527 120.400 0.154 0.000 2.001 287 K HA -0.106 4.205 4.320 -0.014 0.000 0.208 287 K C 2.436 179.097 176.600 0.102 0.000 1.048 287 K CA 0.982 57.335 56.287 0.109 0.000 0.932 287 K CB -0.031 32.522 32.500 0.089 0.000 0.715 287 K HN 0.162 nan 8.250 nan 0.000 0.437 288 A N 1.403 124.282 122.820 0.098 0.000 1.902 288 A HA -0.149 4.162 4.320 -0.014 0.000 0.217 288 A C 2.123 179.759 177.584 0.087 0.000 1.181 288 A CA 1.244 53.341 52.037 0.099 0.000 0.623 288 A CB -0.612 18.439 19.000 0.086 0.000 0.818 288 A HN 0.303 nan 8.150 nan 0.000 0.443 289 L N -0.856 120.401 121.223 0.056 0.000 2.083 289 L HA -0.187 4.145 4.340 -0.014 0.000 0.209 289 L C 2.689 179.585 176.870 0.043 0.000 1.083 289 L CA 1.860 56.715 54.840 0.025 0.000 0.752 289 L CB -0.390 41.635 42.059 -0.055 0.000 0.899 289 L HN 0.469 nan 8.230 nan 0.000 0.433 290 K N -0.495 119.938 120.400 0.055 0.000 2.097 290 K HA -0.145 4.166 4.320 -0.014 0.000 0.205 290 K C 1.979 178.621 176.600 0.071 0.000 1.050 290 K CA 1.603 57.928 56.287 0.064 0.000 0.938 290 K CB 0.042 32.587 32.500 0.075 0.000 0.718 290 K HN 0.224 nan 8.250 nan 0.000 0.442 291 T N 2.319 116.926 114.554 0.089 0.000 2.607 291 T HA -0.180 4.162 4.350 -0.014 0.000 0.267 291 T C 1.813 176.577 174.700 0.106 0.000 1.049 291 T CA 1.613 63.776 62.100 0.106 0.000 1.162 291 T CB -0.248 68.712 68.868 0.153 0.000 0.863 291 T HN 0.176 nan 8.240 nan 0.000 0.424 292 L N 0.603 121.895 121.223 0.116 0.000 2.042 292 L HA -0.093 4.239 4.340 -0.014 0.000 0.210 292 L C 3.049 179.959 176.870 0.067 0.000 1.076 292 L CA 1.533 56.436 54.840 0.105 0.000 0.749 292 L CB -1.265 40.851 42.059 0.095 0.000 0.893 292 L HN 0.392 nan 8.230 nan 0.000 0.432 293 G N 0.557 109.389 108.800 0.054 0.000 2.440 293 G HA2 -0.248 3.703 3.960 -0.014 0.000 0.218 293 G HA3 -0.248 3.703 3.960 -0.014 0.000 0.218 293 G C 1.567 176.488 174.900 0.035 0.000 1.154 293 G CA 0.953 46.074 45.100 0.036 0.000 0.767 293 G HN 0.311 nan 8.290 nan 0.000 0.552 294 I N 0.644 121.238 120.570 0.040 0.000 2.142 294 I HA -0.142 4.020 4.170 -0.014 0.000 0.240 294 I C 2.595 178.735 176.117 0.038 0.000 1.078 294 I CA 0.413 61.733 61.300 0.033 0.000 1.343 294 I CB -0.304 37.712 38.000 0.027 0.000 1.046 294 I HN 0.036 nan 8.210 nan 0.000 0.405 295 I N 0.818 121.408 120.570 0.033 0.000 2.091 295 I HA -0.376 3.785 4.170 -0.014 0.000 0.240 295 I C 2.647 178.818 176.117 0.090 0.000 1.046 295 I CA 2.247 63.569 61.300 0.037 0.000 1.306 295 I CB -1.012 37.021 38.000 0.054 0.000 1.018 295 I HN 0.293 nan 8.210 nan 0.000 0.404 296 M N -0.246 119.396 119.600 0.069 0.000 2.086 296 M HA -0.113 4.359 4.480 -0.014 0.000 0.261 296 M C 2.312 178.698 176.300 0.142 0.000 1.067 296 M CA 2.094 57.440 55.300 0.078 0.000 1.116 296 M CB -0.964 31.648 32.600 0.019 0.000 1.348 296 M HN 0.333 nan 8.290 nan 0.000 0.407 297 G N -0.510 108.345 108.800 0.092 0.000 2.422 297 G HA2 -0.100 3.851 3.960 -0.014 0.000 0.218 297 G HA3 -0.100 3.851 3.960 -0.014 0.000 0.218 297 G C 1.499 176.461 174.900 0.103 0.000 1.140 297 G CA 0.636 45.785 45.100 0.083 0.000 0.775 297 G HN 0.303 nan 8.290 nan 0.000 0.545 298 V N 0.112 120.091 119.914 0.109 0.000 2.346 298 V HA -0.012 4.099 4.120 -0.014 0.000 0.244 298 V C 2.238 178.420 176.094 0.146 0.000 1.037 298 V CA 1.413 63.768 62.300 0.091 0.000 1.029 298 V CB -0.558 31.298 31.823 0.055 0.000 0.663 298 V HN 0.378 nan 8.190 nan 0.000 0.454 299 F N 1.586 121.590 119.950 0.091 0.000 2.091 299 F HA -0.290 4.229 4.527 -0.014 0.000 0.299 299 F C 2.416 178.382 175.800 0.276 0.000 1.103 299 F CA 2.517 60.637 58.000 0.199 0.000 1.228 299 F CB -0.629 38.479 39.000 0.180 0.000 0.984 299 F HN 0.146 nan 8.300 nan 0.000 0.477 300 T N 1.496 116.296 114.554 0.410 0.000 2.684 300 T HA -0.211 4.131 4.350 -0.014 0.000 0.267 300 T C 2.142 176.941 174.700 0.164 0.000 1.036 300 T CA 1.853 64.140 62.100 0.312 0.000 1.148 300 T CB -0.602 68.401 68.868 0.226 0.000 0.863 300 T HN 0.266 nan 8.240 nan 0.000 0.436 301 L N 0.379 121.650 121.223 0.081 0.000 2.083 301 L HA -0.098 4.233 4.340 -0.014 0.000 0.209 301 L C 2.801 179.618 176.870 -0.088 0.000 1.083 301 L CA 0.905 55.747 54.840 0.002 0.000 0.752 301 L CB -0.587 41.471 42.059 -0.002 0.000 0.899 301 L HN 0.389 nan 8.230 nan 0.000 0.433 302 C N -1.773 117.439 119.300 -0.147 0.000 2.432 302 C HA -0.153 4.299 4.460 -0.014 0.000 0.280 302 C C 2.206 176.868 174.990 -0.547 0.000 1.353 302 C CA 0.411 59.213 59.018 -0.359 0.000 1.766 302 C CB -1.145 26.325 27.740 -0.451 0.000 1.924 302 C HN 0.665 nan 8.230 nan 0.000 0.509 303 W N -1.460 119.670 121.300 -0.285 0.000 2.871 303 W HA 0.270 4.921 4.660 -0.016 0.000 0.267 303 W C 2.057 178.444 176.519 -0.221 0.000 1.180 303 W CA -0.479 56.683 57.345 -0.305 0.000 1.463 303 W CB -0.356 28.865 29.460 -0.398 0.000 0.966 303 W HN -0.009 nan 8.180 nan 0.000 0.605 304 L N 1.999 123.305 121.223 0.137 0.000 2.043 304 L HA -0.108 4.224 4.340 -0.014 0.000 0.212 304 L C -0.751 176.070 176.870 -0.080 0.000 1.075 304 L CA 2.283 57.193 54.840 0.117 0.000 0.752 304 L CB -1.753 40.407 42.059 0.168 0.000 0.891 304 L HN -0.219 nan 8.230 nan 0.000 0.432 305 P HA -0.206 nan 4.420 nan 0.000 0.215 305 P C 1.787 178.724 177.300 -0.605 0.000 1.157 305 P CA 1.367 64.062 63.100 -0.674 0.000 0.863 305 P CB -0.262 30.660 31.700 -1.297 0.000 0.787 306 F N -0.415 119.182 119.950 -0.588 0.000 2.069 306 F HA -0.209 4.312 4.527 -0.010 0.000 0.298 306 F C 1.940 177.452 175.800 -0.481 0.000 1.113 306 F CA 1.647 59.342 58.000 -0.509 0.000 1.214 306 F CB -0.916 37.747 39.000 -0.562 0.000 0.978 306 F HN -0.245 nan 8.300 nan 0.000 0.474 307 F N 0.110 119.895 119.950 -0.274 0.000 2.293 307 F HA -0.094 4.423 4.527 -0.016 0.000 0.300 307 F C 2.152 177.873 175.800 -0.132 0.000 1.086 307 F CA 0.984 58.762 58.000 -0.371 0.000 1.375 307 F CB -0.688 37.841 39.000 -0.784 0.000 1.045 307 F HN -0.002 nan 8.300 nan 0.000 0.516 308 L N -1.259 120.006 121.223 0.071 0.000 2.072 308 L HA -0.160 4.171 4.340 -0.014 0.000 0.205 308 L C 2.379 179.266 176.870 0.029 0.000 1.079 308 L CA 0.522 55.432 54.840 0.118 0.000 0.752 308 L CB -0.456 41.640 42.059 0.062 0.000 0.906 308 L HN -0.100 nan 8.230 nan 0.000 0.436 309 V N 0.124 119.985 119.914 -0.089 0.000 2.295 309 V HA -0.326 3.786 4.120 -0.014 0.000 0.246 309 V C 2.240 178.329 176.094 -0.008 0.000 1.049 309 V CA 2.099 64.383 62.300 -0.026 0.000 1.024 309 V CB -0.578 31.255 31.823 0.017 0.000 0.648 309 V HN 0.520 nan 8.190 nan 0.000 0.447 310 N N 0.045 118.617 118.700 -0.213 0.000 2.096 310 N HA -0.208 4.524 4.740 -0.014 0.000 0.195 310 N C 1.508 177.050 175.510 0.053 0.000 1.017 310 N CA 1.876 54.858 53.050 -0.112 0.000 0.870 310 N CB -0.193 38.088 38.487 -0.343 0.000 1.024 310 N HN 0.348 nan 8.380 nan 0.000 0.434 311 I N -0.275 120.360 120.570 0.109 0.000 2.233 311 I HA -0.138 4.024 4.170 -0.014 0.000 0.243 311 I C 2.096 178.337 176.117 0.206 0.000 1.093 311 I CA 0.683 62.084 61.300 0.170 0.000 1.380 311 I CB -1.265 36.874 38.000 0.231 0.000 1.067 311 I HN -0.008 nan 8.210 nan 0.000 0.413 312 V N 1.533 121.561 119.914 0.190 0.000 2.380 312 V HA -0.286 3.825 4.120 -0.014 0.000 0.251 312 V C 2.280 178.465 176.094 0.150 0.000 1.063 312 V CA 1.750 64.171 62.300 0.202 0.000 1.055 312 V CB -1.030 30.868 31.823 0.124 0.000 0.657 312 V HN 0.398 nan 8.190 nan 0.000 0.455 313 N N 0.126 118.878 118.700 0.085 0.000 2.192 313 N HA -0.146 4.586 4.740 -0.014 0.000 0.188 313 N C 1.651 177.142 175.510 -0.033 0.000 1.013 313 N CA 1.277 54.334 53.050 0.012 0.000 0.863 313 N CB -0.399 38.071 38.487 -0.028 0.000 0.990 313 N HN 0.368 nan 8.380 nan 0.000 0.430 314 V N -0.264 119.609 119.914 -0.069 0.000 2.427 314 V HA -0.150 3.961 4.120 -0.014 0.000 0.248 314 V C 1.437 177.330 176.094 -0.335 0.000 1.051 314 V CA 1.310 63.459 62.300 -0.251 0.000 1.048 314 V CB -0.462 31.125 31.823 -0.393 0.000 0.666 314 V HN 0.177 nan 8.190 nan 0.000 0.456 315 F N -0.790 119.159 119.950 -0.002 0.000 2.698 315 F HA 0.287 4.809 4.527 -0.008 0.000 0.295 315 F C 1.059 176.855 175.800 -0.008 0.000 1.124 315 F CA 0.403 58.400 58.000 -0.005 0.000 1.426 315 F CB 0.289 39.287 39.000 -0.004 0.000 1.120 315 F HN 0.150 nan 8.300 nan 0.000 0.583 316 N N -0.108 118.671 118.700 0.132 0.000 2.932 316 N HA 0.085 4.816 4.740 -0.014 0.000 0.242 316 N C 0.219 175.746 175.510 0.028 0.000 1.351 316 N CA -0.099 52.995 53.050 0.073 0.000 0.785 316 N CB 0.720 39.256 38.487 0.082 0.000 1.501 316 N HN 0.023 nan 8.380 nan 0.000 0.584 317 R N 0.286 120.783 120.500 -0.004 0.000 2.377 317 R HA -0.047 4.285 4.340 -0.014 0.000 0.207 317 R C -0.139 176.141 176.300 -0.033 0.000 1.075 317 R CA 0.726 56.805 56.100 -0.035 0.000 1.035 317 R CB 0.353 30.623 30.300 -0.051 0.000 0.857 317 R HN 0.422 nan 8.270 nan 0.000 0.475 318 D N 0.179 120.573 120.400 -0.010 0.000 2.490 318 D HA -0.040 4.592 4.640 -0.014 0.000 0.244 318 D C 1.741 178.041 176.300 -0.001 0.000 0.979 318 D CA 0.106 54.102 54.000 -0.006 0.000 0.924 318 D CB -0.221 40.581 40.800 0.003 0.000 1.075 318 D HN -0.009 nan 8.370 nan 0.000 0.488 319 L N 1.115 122.345 121.223 0.012 0.000 2.103 319 L HA -0.116 4.215 4.340 -0.014 0.000 0.215 319 L C 0.447 177.319 176.870 0.004 0.000 1.080 319 L CA 1.344 56.194 54.840 0.017 0.000 0.764 319 L CB -0.005 42.072 42.059 0.030 0.000 0.890 319 L HN -0.203 nan 8.230 nan 0.000 0.435 320 V N 1.793 121.703 119.914 -0.007 0.000 2.398 320 V HA 0.336 4.448 4.120 -0.014 0.000 0.286 320 V C -1.986 174.053 176.094 -0.091 0.000 1.026 320 V CA -1.585 60.688 62.300 -0.045 0.000 0.868 320 V CB 1.074 32.903 31.823 0.009 0.000 0.982 320 V HN 0.148 nan 8.190 nan 0.000 0.443 321 P HA 0.057 nan 4.420 nan 0.000 0.268 321 P C 0.696 177.843 177.300 -0.256 0.000 1.204 321 P CA 0.057 63.043 63.100 -0.189 0.000 0.768 321 P CB 0.808 32.353 31.700 -0.259 0.000 0.842 322 D N 2.739 123.098 120.400 -0.068 0.000 2.192 322 D HA -0.196 4.436 4.640 -0.014 0.000 0.189 322 D C 1.733 178.066 176.300 0.056 0.000 1.007 322 D CA 1.741 55.743 54.000 0.004 0.000 0.859 322 D CB -0.135 40.713 40.800 0.079 0.000 0.936 322 D HN 0.576 nan 8.370 nan 0.000 0.447 323 W N 1.041 122.371 121.300 0.049 0.000 2.358 323 W HA -0.147 4.506 4.660 -0.011 0.000 0.303 323 W C 1.998 178.520 176.519 0.004 0.000 1.208 323 W CA 0.024 57.395 57.345 0.043 0.000 1.274 323 W CB -1.445 28.018 29.460 0.006 0.000 1.138 323 W HN 0.002 nan 8.180 nan 0.000 0.515 324 L N 0.694 121.234 121.223 -1.137 0.000 2.083 324 L HA -0.090 4.242 4.340 -0.014 0.000 0.209 324 L C 2.653 179.116 176.870 -0.679 0.000 1.083 324 L CA 1.856 55.963 54.840 -1.222 0.000 0.752 324 L CB -1.308 39.867 42.059 -1.474 0.000 0.899 324 L HN -0.057 nan 8.230 nan 0.000 0.433 325 F N -0.846 118.849 119.950 -0.426 0.000 2.069 325 F HA -0.238 4.282 4.527 -0.012 0.000 0.298 325 F C 2.193 178.015 175.800 0.035 0.000 1.113 325 F CA 2.145 60.068 58.000 -0.128 0.000 1.214 325 F CB -0.352 38.597 39.000 -0.084 0.000 0.978 325 F HN -0.097 nan 8.300 nan 0.000 0.474 326 V N 0.309 120.403 119.914 0.300 0.000 2.427 326 V HA -0.255 3.856 4.120 -0.014 0.000 0.248 326 V C 2.650 178.907 176.094 0.271 0.000 1.051 326 V CA 1.428 63.931 62.300 0.339 0.000 1.048 326 V CB -1.508 30.561 31.823 0.410 0.000 0.666 326 V HN 0.491 nan 8.190 nan 0.000 0.456 327 A N 0.306 123.193 122.820 0.113 0.000 1.859 327 A HA -0.227 4.085 4.320 -0.014 0.000 0.217 327 A C 2.029 179.651 177.584 0.064 0.000 1.198 327 A CA 2.072 54.144 52.037 0.059 0.000 0.629 327 A CB -0.826 18.106 19.000 -0.113 0.000 0.830 327 A HN 0.428 nan 8.150 nan 0.000 0.446 328 F N 0.138 120.042 119.950 -0.076 0.000 2.154 328 F HA -0.190 4.327 4.527 -0.016 0.000 0.301 328 F C 2.143 177.733 175.800 -0.351 0.000 1.087 328 F CA 1.034 58.926 58.000 -0.180 0.000 1.274 328 F CB -1.377 37.515 39.000 -0.181 0.000 1.009 328 F HN 0.423 nan 8.300 nan 0.000 0.485 329 N N -1.425 117.163 118.700 -0.187 0.000 2.223 329 N HA -0.217 4.515 4.740 -0.014 0.000 0.185 329 N C 1.741 176.577 175.510 -1.124 0.000 1.016 329 N CA 1.089 53.642 53.050 -0.829 0.000 0.863 329 N CB -0.220 37.859 38.487 -0.680 0.000 0.983 329 N HN 0.214 nan 8.380 nan 0.000 0.429 330 W N 0.435 121.401 121.300 -0.556 0.000 2.453 330 W HA 0.057 4.708 4.660 -0.014 0.000 0.289 330 W C 1.962 178.283 176.519 -0.329 0.000 1.215 330 W CA -0.157 56.954 57.345 -0.390 0.000 1.297 330 W CB -0.528 28.862 29.460 -0.116 0.000 1.113 330 W HN 0.118 nan 8.180 nan 0.000 0.551 331 L N 1.046 122.200 121.223 -0.116 0.000 2.043 331 L HA -0.113 4.219 4.340 -0.014 0.000 0.212 331 L C 2.263 178.804 176.870 -0.548 0.000 1.075 331 L CA 2.589 57.302 54.840 -0.210 0.000 0.752 331 L CB -1.424 40.555 42.059 -0.132 0.000 0.891 331 L HN 0.042 nan 8.230 nan 0.000 0.432 332 G N -1.490 106.676 108.800 -1.056 0.000 2.514 332 G HA2 -0.337 3.614 3.960 -0.014 0.000 0.217 332 G HA3 -0.337 3.614 3.960 -0.014 0.000 0.217 332 G C 1.414 175.738 174.900 -0.959 0.000 1.198 332 G CA 1.047 44.905 45.100 -2.070 0.000 0.780 332 G HN 0.454 nan 8.290 nan 0.000 0.565 333 Y N 1.407 121.317 120.300 -0.649 0.000 2.241 333 Y HA -0.037 4.505 4.550 -0.013 0.000 0.286 333 Y C 3.131 178.957 175.900 -0.123 0.000 1.166 333 Y CA 0.165 58.089 58.100 -0.294 0.000 1.203 333 Y CB -1.126 37.076 38.460 -0.429 0.000 0.977 333 Y HN 0.286 nan 8.280 nan 0.000 0.529 334 A N 0.109 122.947 122.820 0.030 0.000 2.015 334 A HA -0.235 4.077 4.320 -0.014 0.000 0.219 334 A C 2.136 179.722 177.584 0.004 0.000 1.163 334 A CA 1.560 53.627 52.037 0.050 0.000 0.646 334 A CB -1.042 17.976 19.000 0.030 0.000 0.806 334 A HN 0.549 nan 8.150 nan 0.000 0.448 335 N N 0.344 119.005 118.700 -0.064 0.000 2.348 335 N HA -0.128 4.603 4.740 -0.014 0.000 0.185 335 N C 1.444 177.015 175.510 0.101 0.000 1.019 335 N CA 1.586 54.636 53.050 -0.001 0.000 0.880 335 N CB -0.219 38.244 38.487 -0.040 0.000 0.965 335 N HN 0.323 nan 8.380 nan 0.000 0.437 336 S N -0.749 115.027 115.700 0.127 0.000 2.469 336 S HA -0.006 4.456 4.470 -0.014 0.000 0.238 336 S C 1.753 176.404 174.600 0.084 0.000 0.998 336 S CA 0.813 59.094 58.200 0.135 0.000 0.957 336 S CB -0.208 63.072 63.200 0.134 0.000 0.764 336 S HN 0.602 nan 8.310 nan 0.000 0.514 337 A N 0.863 123.716 122.820 0.056 0.000 2.081 337 A HA 0.274 4.585 4.320 -0.014 0.000 0.214 337 A C 1.955 179.534 177.584 -0.008 0.000 1.158 337 A CA 0.357 52.409 52.037 0.026 0.000 0.724 337 A CB -0.331 18.685 19.000 0.027 0.000 0.826 337 A HN 0.451 nan 8.150 nan 0.000 0.463 338 M N -0.310 119.283 119.600 -0.011 0.000 2.236 338 M HA -0.054 4.417 4.480 -0.014 0.000 0.266 338 M C 1.649 177.871 176.300 -0.130 0.000 1.070 338 M CA 0.836 56.106 55.300 -0.050 0.000 1.137 338 M CB -0.367 32.216 32.600 -0.029 0.000 1.378 338 M HN 0.291 nan 8.290 nan 0.000 0.426 339 N N 0.623 119.222 118.700 -0.167 0.000 2.061 339 N HA -0.122 4.609 4.740 -0.014 0.000 0.193 339 N C -0.930 174.207 175.510 -0.621 0.000 1.030 339 N CA 1.517 54.285 53.050 -0.469 0.000 0.856 339 N CB -1.921 36.339 38.487 -0.379 0.000 1.023 339 N HN 0.209 nan 8.380 nan 0.000 0.424 340 P HA -0.048 nan 4.420 nan 0.000 0.215 340 P C 1.519 178.770 177.300 -0.083 0.000 1.153 340 P CA 0.867 63.948 63.100 -0.031 0.000 0.853 340 P CB 0.048 31.724 31.700 -0.040 0.000 0.788 341 I N -1.233 119.263 120.570 -0.123 0.000 2.179 341 I HA -0.230 3.932 4.170 -0.014 0.000 0.242 341 I C 2.236 178.318 176.117 -0.058 0.000 1.088 341 I CA 1.486 62.739 61.300 -0.079 0.000 1.357 341 I CB -0.577 37.382 38.000 -0.067 0.000 1.051 341 I HN -0.141 nan 8.210 nan 0.000 0.409 342 I N -0.427 120.053 120.570 -0.151 0.000 2.361 342 I HA -0.291 3.871 4.170 -0.014 0.000 0.251 342 I C 1.865 177.937 176.117 -0.076 0.000 1.133 342 I CA 1.199 62.416 61.300 -0.140 0.000 1.413 342 I CB -0.388 37.486 38.000 -0.209 0.000 1.073 342 I HN 0.195 nan 8.210 nan 0.000 0.424 343 Y N -0.255 120.015 120.300 -0.049 0.000 2.680 343 Y HA -0.123 4.419 4.550 -0.014 0.000 0.303 343 Y C 2.156 178.081 175.900 0.041 0.000 1.166 343 Y CA -0.196 57.806 58.100 -0.163 0.000 1.344 343 Y CB -1.306 36.778 38.460 -0.627 0.000 1.002 343 Y HN 0.236 nan 8.280 nan 0.000 0.537 344 C N -0.444 119.002 119.300 0.243 0.000 2.578 344 C HA 0.075 4.526 4.460 -0.014 0.000 0.285 344 C C 2.203 177.301 174.990 0.180 0.000 1.297 344 C CA 0.026 59.201 59.018 0.263 0.000 1.690 344 C CB -1.375 26.491 27.740 0.210 0.000 1.773 344 C HN 0.489 nan 8.230 nan 0.000 0.594 345 R N 0.201 120.797 120.500 0.160 0.000 2.240 345 R HA 0.018 4.350 4.340 -0.014 0.000 0.203 345 R C 1.103 177.493 176.300 0.149 0.000 1.011 345 R CA 0.342 56.520 56.100 0.131 0.000 1.007 345 R CB 0.011 30.379 30.300 0.114 0.000 0.911 345 R HN 0.306 nan 8.270 nan 0.000 0.468 346 S N 1.005 116.827 115.700 0.203 0.000 2.489 346 S HA 0.183 4.644 4.470 -0.014 0.000 0.277 346 S C -1.851 172.846 174.600 0.161 0.000 1.230 346 S CA -1.948 56.379 58.200 0.211 0.000 1.053 346 S CB 1.188 64.613 63.200 0.375 0.000 0.955 346 S HN -0.123 nan 8.310 nan 0.000 0.488 347 P HA -0.087 nan 4.420 nan 0.000 0.215 347 P C 0.909 178.219 177.300 0.016 0.000 1.153 347 P CA 0.999 64.133 63.100 0.057 0.000 0.853 347 P CB 0.109 31.830 31.700 0.034 0.000 0.788 348 D N -1.302 119.082 120.400 -0.027 0.000 2.104 348 D HA -0.145 4.486 4.640 -0.014 0.000 0.194 348 D C 1.865 178.022 176.300 -0.239 0.000 0.994 348 D CA 1.193 55.108 54.000 -0.142 0.000 0.830 348 D CB -0.618 40.056 40.800 -0.210 0.000 0.959 348 D HN 0.132 nan 8.370 nan 0.000 0.452 349 F N 1.110 120.930 119.950 -0.217 0.000 2.134 349 F HA -0.063 4.456 4.527 -0.014 0.000 0.299 349 F C 2.679 178.129 175.800 -0.582 0.000 1.097 349 F CA 0.882 58.588 58.000 -0.489 0.000 1.264 349 F CB -0.202 38.558 39.000 -0.400 0.000 1.001 349 F HN -0.200 nan 8.300 nan 0.000 0.479 350 R N 0.128 120.640 120.500 0.019 0.000 2.092 350 R HA -0.136 4.195 4.340 -0.014 0.000 0.231 350 R C 2.126 178.487 176.300 0.101 0.000 1.119 350 R CA 1.273 57.469 56.100 0.161 0.000 0.970 350 R CB -0.103 30.304 30.300 0.178 0.000 0.864 350 R HN 0.138 nan 8.270 nan 0.000 0.440 351 K N -0.635 119.773 120.400 0.013 0.000 2.097 351 K HA -0.033 4.279 4.320 -0.014 0.000 0.205 351 K C 1.823 178.418 176.600 -0.009 0.000 1.050 351 K CA 1.277 57.567 56.287 0.005 0.000 0.938 351 K CB 0.065 32.551 32.500 -0.023 0.000 0.718 351 K HN 0.161 nan 8.250 nan 0.000 0.442 352 A N 0.065 122.829 122.820 -0.093 0.000 2.016 352 A HA -0.059 4.252 4.320 -0.014 0.000 0.217 352 A C 1.684 179.292 177.584 0.040 0.000 1.162 352 A CA 0.865 52.846 52.037 -0.094 0.000 0.662 352 A CB -0.432 18.432 19.000 -0.227 0.000 0.812 352 A HN 0.150 nan 8.150 nan 0.000 0.450 353 F N 0.529 120.537 119.950 0.096 0.000 2.146 353 F HA -0.056 4.463 4.527 -0.014 0.000 0.298 353 F C 2.204 178.042 175.800 0.064 0.000 1.096 353 F CA 1.422 59.480 58.000 0.097 0.000 1.275 353 F CB -0.557 38.514 39.000 0.118 0.000 1.008 353 F HN 0.154 nan 8.300 nan 0.000 0.480 354 K N -0.231 120.315 120.400 0.243 0.000 2.007 354 K HA -0.115 4.197 4.320 -0.014 0.000 0.206 354 K C 2.246 178.905 176.600 0.100 0.000 1.047 354 K CA 0.950 57.323 56.287 0.143 0.000 0.937 354 K CB -0.264 32.302 32.500 0.110 0.000 0.718 354 K HN -0.009 nan 8.250 nan 0.000 0.438 355 R N 1.167 121.714 120.500 0.079 0.000 2.117 355 R HA -0.169 4.162 4.340 -0.014 0.000 0.243 355 R C 2.086 178.422 176.300 0.060 0.000 1.143 355 R CA 1.368 57.499 56.100 0.051 0.000 0.968 355 R CB -0.248 30.067 30.300 0.026 0.000 0.863 355 R HN 0.172 nan 8.270 nan 0.000 0.444 356 L N 0.308 121.585 121.223 0.090 0.000 2.023 356 L HA -0.143 4.189 4.340 -0.014 0.000 0.205 356 L C 2.383 179.303 176.870 0.082 0.000 1.073 356 L CA 0.944 55.839 54.840 0.092 0.000 0.745 356 L CB -0.314 41.828 42.059 0.138 0.000 0.900 356 L HN 0.234 nan 8.230 nan 0.000 0.435 357 L N -0.005 121.276 121.223 0.095 0.000 2.450 357 L HA -0.137 4.194 4.340 -0.014 0.000 0.225 357 L C 1.230 178.128 176.870 0.048 0.000 1.145 357 L CA 0.422 55.302 54.840 0.067 0.000 0.801 357 L CB -0.781 41.318 42.059 0.065 0.000 0.924 357 L HN 0.451 nan 8.230 nan 0.000 0.447 358 A N 0.000 122.849 122.820 0.048 0.000 2.254 358 A HA 0.000 4.312 4.320 -0.014 0.000 0.244 358 A CA 0.000 52.058 52.037 0.035 0.000 0.836 358 A CB 0.000 19.017 19.000 0.028 0.000 0.831 358 A HN 0.000 nan 8.150 nan 0.000 0.486