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 2gpt_1_A DATA FIRST_RESID 90 DATA SEQUENCE VKNPSLICAP VMADSIDKMV IETSKAHELG ADLVEIRLDW LKDFNPLEDL DATA SEQUENCE KTIIKKSPLP TLFTYRPKWE GGQYEGDENE RRDVLRLAME LGADYIDVEL DATA SEQUENCE QVASEFIKSI DGKKPGKFKV IVSSHNYQNT PSVEDLDGLV ARIQQTGADI DATA SEQUENCE VKIATTAVDI ADVARMFHIT SKAQVPTIGL VMGERGLMSR ILCSKFGGYL DATA SEQUENCE TFGTLDSSKV SAPGQPTIKD LLDLYNFRRI GPDTKVYGII GKPVSHSKSP DATA SEQUENCE IVHNQAFKSV DFNGVYVHLL VDNLVSFLQA YSSSDFAGFS CTIPHKEAAL DATA SEQUENCE QCCDEVDPLA KSIGAVNTIL RRKSDGKLLG YNTDCIGSIS AIEDGLXXXX DATA SEQUENCE XXXXXXXXXX XXXXXTVVVI GAGGAGKALA YGAKEKGAKV VIANRTYERX DATA SEQUENCE XELAEAIGXX ALSLTDLDNY XXEDGMVLAN TTSMGMQPNV EETPISKDAL DATA SEQUENCE KHYALVFDAV YTPRITRLLR EAEESGAITV SGSEMFVRQA YEQFEIFTGL DATA SEQUENCE PAPKELYWQI MSKYGSRENL YFQ 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 90 V HA 0.000 nan 4.120 nan 0.000 0.244 90 V C 0.000 176.121 176.094 0.045 0.000 1.182 90 V CA 0.000 62.322 62.300 0.037 0.000 1.235 90 V CB 0.000 31.856 31.823 0.055 0.000 1.184 91 K N 1.460 121.873 120.400 0.022 0.000 2.376 91 K HA -0.164 4.156 4.320 -0.000 0.000 0.463 91 K C 0.300 176.896 176.600 -0.007 0.000 1.822 91 K CA 0.876 57.175 56.287 0.020 0.000 0.723 91 K CB -0.822 31.714 32.500 0.060 0.000 1.223 91 K HN 0.763 nan 8.250 nan 0.000 0.631 92 N N 2.980 121.677 118.700 -0.006 0.000 2.329 92 N HA 0.102 4.842 4.740 -0.000 0.000 0.237 92 N C -2.214 173.246 175.510 -0.083 0.000 1.258 92 N CA -0.429 52.592 53.050 -0.048 0.000 0.866 92 N CB -0.513 37.941 38.487 -0.055 0.000 1.102 92 N HN 0.204 nan 8.380 nan 0.000 0.440 93 P HA -0.020 nan 4.420 nan 0.000 0.269 93 P C 0.031 177.257 177.300 -0.122 0.000 1.217 93 P CA 0.026 63.046 63.100 -0.132 0.000 0.783 93 P CB 0.453 32.071 31.700 -0.136 0.000 0.898 94 S N 1.333 116.976 115.700 -0.095 0.000 2.560 94 S HA 0.136 4.606 4.470 -0.000 0.000 0.284 94 S C 0.003 174.638 174.600 0.057 0.000 1.327 94 S CA -0.390 57.808 58.200 -0.004 0.000 1.055 94 S CB -0.420 62.887 63.200 0.178 0.000 0.868 94 S HN 0.206 nan 8.310 nan 0.000 0.506 95 L N 4.188 125.347 121.223 -0.108 0.000 2.421 95 L HA 0.519 4.859 4.340 -0.000 0.000 0.263 95 L C -0.120 176.681 176.870 -0.116 0.000 1.122 95 L CA -0.582 54.180 54.840 -0.129 0.000 0.804 95 L CB 0.848 42.741 42.059 -0.276 0.000 1.150 95 L HN 0.600 nan 8.230 nan 0.000 0.457 96 I N 1.523 121.998 120.570 -0.158 0.000 2.354 96 I HA 0.212 4.381 4.170 -0.000 0.000 0.286 96 I C -0.586 175.377 176.117 -0.257 0.000 1.007 96 I CA -0.263 60.881 61.300 -0.260 0.000 1.167 96 I CB 1.572 39.406 38.000 -0.277 0.000 1.320 96 I HN 0.506 nan 8.210 nan 0.000 0.458 97 C N 6.386 125.468 119.300 -0.364 0.000 2.329 97 C HA 0.837 5.297 4.460 -0.000 0.000 0.329 97 C C 0.507 175.361 174.990 -0.227 0.000 1.275 97 C CA -0.230 58.559 59.018 -0.381 0.000 1.726 97 C CB 0.460 27.778 27.740 -0.704 0.000 2.291 97 C HN 0.829 nan 8.230 nan 0.000 0.514 98 A N 7.269 130.027 122.820 -0.104 0.000 2.288 98 A HA 0.744 5.063 4.320 -0.000 0.000 0.320 98 A C -2.808 174.804 177.584 0.047 0.000 1.217 98 A CA -1.334 50.698 52.037 -0.009 0.000 0.840 98 A CB 0.567 19.548 19.000 -0.030 0.000 1.179 98 A HN 0.749 nan 8.150 nan 0.000 0.504 99 P HA 0.303 nan 4.420 nan 0.000 0.282 99 P C -0.785 176.497 177.300 -0.030 0.000 1.274 99 P CA -0.023 63.120 63.100 0.071 0.000 0.770 99 P CB 1.204 32.933 31.700 0.049 0.000 0.867 100 V N 5.696 125.580 119.914 -0.048 0.000 2.334 100 V HA 0.303 4.423 4.120 -0.000 0.000 0.281 100 V C 0.821 176.849 176.094 -0.109 0.000 1.016 100 V CA 0.069 62.322 62.300 -0.077 0.000 0.832 100 V CB 0.961 32.746 31.823 -0.063 0.000 0.999 100 V HN 0.585 nan 8.190 nan 0.000 0.439 101 M N 3.169 122.653 119.600 -0.194 0.000 2.414 101 M HA 0.401 4.881 4.480 -0.000 0.000 0.357 101 M C 0.838 177.015 176.300 -0.205 0.000 1.059 101 M CA -0.194 54.915 55.300 -0.318 0.000 0.959 101 M CB 1.014 33.122 32.600 -0.821 0.000 1.522 101 M HN 0.605 nan 8.290 nan 0.000 0.551 102 A N 1.751 124.506 122.820 -0.108 0.000 2.561 102 A HA 0.032 4.352 4.320 -0.000 0.000 0.234 102 A C 0.790 178.393 177.584 0.031 0.000 1.055 102 A CA 0.419 52.429 52.037 -0.045 0.000 0.756 102 A CB 0.012 18.997 19.000 -0.025 0.000 0.986 102 A HN 0.608 nan 8.150 nan 0.000 0.505 103 D N 0.274 120.713 120.400 0.065 0.000 2.352 103 D HA 0.059 4.699 4.640 -0.000 0.000 0.232 103 D C 0.383 176.734 176.300 0.086 0.000 1.055 103 D CA 0.725 54.794 54.000 0.115 0.000 0.891 103 D CB -0.335 40.545 40.800 0.133 0.000 0.897 103 D HN 0.489 nan 8.370 nan 0.000 0.529 104 S N -1.612 114.126 115.700 0.063 0.000 2.564 104 S HA 0.399 4.869 4.470 -0.000 0.000 0.274 104 S C 0.533 175.168 174.600 0.058 0.000 1.124 104 S CA -0.948 57.291 58.200 0.064 0.000 0.869 104 S CB 1.343 64.578 63.200 0.057 0.000 1.105 104 S HN -0.102 nan 8.310 nan 0.000 0.472 105 I N 1.400 122.015 120.570 0.074 0.000 2.226 105 I HA -0.117 4.053 4.170 -0.000 0.000 0.245 105 I C 1.699 177.852 176.117 0.059 0.000 1.100 105 I CA 1.785 63.132 61.300 0.077 0.000 1.374 105 I CB -0.453 37.611 38.000 0.105 0.000 1.057 105 I HN 0.799 nan 8.210 nan 0.000 0.413 106 D N 0.515 120.946 120.400 0.052 0.000 2.123 106 D HA -0.208 4.432 4.640 -0.000 0.000 0.196 106 D C 2.151 178.468 176.300 0.030 0.000 0.992 106 D CA 1.281 55.305 54.000 0.039 0.000 0.833 106 D CB -0.172 40.649 40.800 0.035 0.000 0.954 106 D HN 0.425 nan 8.370 nan 0.000 0.455 107 K N -0.089 120.328 120.400 0.027 0.000 2.155 107 K HA 0.038 4.358 4.320 -0.000 0.000 0.203 107 K C 2.262 178.867 176.600 0.009 0.000 1.052 107 K CA 0.488 56.784 56.287 0.015 0.000 0.948 107 K CB 0.011 32.519 32.500 0.012 0.000 0.728 107 K HN 0.154 nan 8.250 nan 0.000 0.448 108 M N 0.387 119.997 119.600 0.016 0.000 2.175 108 M HA -0.143 4.336 4.480 -0.000 0.000 0.264 108 M C 2.179 178.487 176.300 0.013 0.000 1.063 108 M CA 1.198 56.503 55.300 0.007 0.000 1.119 108 M CB -0.206 32.403 32.600 0.015 0.000 1.377 108 M HN -0.073 nan 8.290 nan 0.000 0.415 109 V N 1.047 120.977 119.914 0.027 0.000 2.332 109 V HA -0.286 3.833 4.120 -0.000 0.000 0.248 109 V C 2.204 178.308 176.094 0.018 0.000 1.055 109 V CA 1.841 64.158 62.300 0.028 0.000 1.038 109 V CB -0.589 31.255 31.823 0.034 0.000 0.651 109 V HN 0.437 nan 8.190 nan 0.000 0.450 110 I N -0.316 120.262 120.570 0.014 0.000 2.286 110 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 110 I C 2.534 178.655 176.117 0.006 0.000 1.115 110 I CA 1.594 62.899 61.300 0.009 0.000 1.392 110 I CB -0.471 37.532 38.000 0.007 0.000 1.065 110 I HN 0.408 nan 8.210 nan 0.000 0.418 111 E N 0.476 120.677 120.200 0.001 0.000 2.106 111 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 111 E C 2.240 178.841 176.600 0.003 0.000 0.984 111 E CA 2.000 58.396 56.400 -0.006 0.000 0.806 111 E CB -0.214 29.473 29.700 -0.022 0.000 0.750 111 E HN 0.621 nan 8.360 nan 0.000 0.458 112 T N -1.013 113.545 114.554 0.007 0.000 2.833 112 T HA -0.094 4.256 4.350 -0.000 0.000 0.269 112 T C 2.170 176.898 174.700 0.047 0.000 1.054 112 T CA 1.411 63.522 62.100 0.019 0.000 1.135 112 T CB -0.164 68.714 68.868 0.018 0.000 0.869 112 T HN -0.091 nan 8.240 nan 0.000 0.466 113 S N 1.415 117.136 115.700 0.034 0.000 2.368 113 S HA -0.004 4.466 4.470 -0.000 0.000 0.224 113 S C 2.027 176.665 174.600 0.064 0.000 1.029 113 S CA 1.328 59.549 58.200 0.036 0.000 0.988 113 S CB -0.360 62.842 63.200 0.005 0.000 0.838 113 S HN 0.500 nan 8.310 nan 0.000 0.462 114 K N 2.230 122.654 120.400 0.040 0.000 2.057 114 K HA 0.053 4.373 4.320 -0.000 0.000 0.207 114 K C 1.990 178.618 176.600 0.046 0.000 1.049 114 K CA 1.402 57.711 56.287 0.037 0.000 0.931 114 K CB -0.764 31.745 32.500 0.015 0.000 0.714 114 K HN 0.240 nan 8.250 nan 0.000 0.440 115 A N 0.459 123.303 122.820 0.039 0.000 1.908 115 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 115 A C 2.279 179.887 177.584 0.039 0.000 1.181 115 A CA 1.967 54.017 52.037 0.023 0.000 0.627 115 A CB -1.023 17.981 19.000 0.008 0.000 0.818 115 A HN 0.598 nan 8.150 nan 0.000 0.445 116 H N 0.128 119.192 119.070 -0.009 0.000 2.321 116 H HA -0.111 4.445 4.556 -0.000 0.000 0.300 116 H C 1.922 177.249 175.328 -0.001 0.000 1.087 116 H CA 2.052 58.098 56.048 -0.004 0.000 1.319 116 H CB -0.205 29.558 29.762 0.002 0.000 1.379 116 H HN 0.661 nan 8.280 nan 0.000 0.501 117 E N 0.356 120.692 120.200 0.227 0.000 2.058 117 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 117 E C 2.616 179.250 176.600 0.057 0.000 0.997 117 E CA 1.226 57.716 56.400 0.151 0.000 0.801 117 E CB -0.082 29.675 29.700 0.095 0.000 0.746 117 E HN 0.421 nan 8.360 nan 0.000 0.450 118 L N -0.814 120.426 121.223 0.029 0.000 2.275 118 L HA -0.048 4.291 4.340 -0.000 0.000 0.215 118 L C 1.592 178.449 176.870 -0.022 0.000 1.119 118 L CA 0.842 55.684 54.840 0.004 0.000 0.790 118 L CB -0.152 41.907 42.059 -0.000 0.000 0.919 118 L HN 0.439 nan 8.230 nan 0.000 0.443 119 G N -1.028 107.736 108.800 -0.059 0.000 2.175 119 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.182 119 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.182 119 G C 0.306 175.145 174.900 -0.103 0.000 1.003 119 G CA -0.215 44.833 45.100 -0.087 0.000 0.666 119 G HN 0.458 nan 8.290 nan 0.000 0.506 120 A N 0.210 122.968 122.820 -0.103 0.000 2.425 120 A HA 0.552 4.871 4.320 -0.000 0.000 0.242 120 A C 1.147 178.661 177.584 -0.116 0.000 1.077 120 A CA 0.790 52.763 52.037 -0.106 0.000 0.781 120 A CB 0.347 19.295 19.000 -0.087 0.000 1.020 120 A HN 0.178 nan 8.150 nan 0.000 0.494 121 D N -0.248 120.088 120.400 -0.107 0.000 2.305 121 D HA 0.175 4.815 4.640 -0.000 0.000 0.206 121 D C 0.624 176.891 176.300 -0.056 0.000 0.974 121 D CA 1.363 55.313 54.000 -0.084 0.000 0.871 121 D CB -0.031 40.721 40.800 -0.081 0.000 0.947 121 D HN 0.613 nan 8.370 nan 0.000 0.516 122 L N -2.643 118.534 121.223 -0.076 0.000 2.933 122 L HA 0.602 4.942 4.340 -0.000 0.000 0.271 122 L C -1.416 175.407 176.870 -0.078 0.000 1.071 122 L CA -1.200 53.612 54.840 -0.047 0.000 0.938 122 L CB 2.180 44.221 42.059 -0.031 0.000 1.534 122 L HN -0.221 nan 8.230 nan 0.000 0.396 123 V N -2.328 117.545 119.914 -0.069 0.000 2.841 123 V HA 0.634 4.754 4.120 -0.000 0.000 0.310 123 V C -0.930 175.098 176.094 -0.111 0.000 1.090 123 V CA -0.392 61.859 62.300 -0.081 0.000 0.930 123 V CB 1.726 33.508 31.823 -0.068 0.000 1.014 123 V HN 0.954 nan 8.190 nan 0.000 0.425 124 E N 4.166 124.330 120.200 -0.060 0.000 2.109 124 E HA 0.414 4.764 4.350 -0.000 0.000 0.278 124 E C -1.047 175.502 176.600 -0.085 0.000 0.954 124 E CA -0.843 55.535 56.400 -0.037 0.000 0.779 124 E CB 1.327 31.128 29.700 0.168 0.000 1.093 124 E HN 0.716 nan 8.360 nan 0.000 0.401 125 I N 5.270 125.704 120.570 -0.228 0.000 2.322 125 I HA 0.161 4.331 4.170 -0.000 0.000 0.292 125 I C 0.448 176.546 176.117 -0.033 0.000 1.060 125 I CA -0.340 60.845 61.300 -0.192 0.000 1.309 125 I CB 0.441 38.197 38.000 -0.407 0.000 1.415 125 I HN 0.370 nan 8.210 nan 0.000 0.492 126 R N 6.919 127.442 120.500 0.038 0.000 2.891 126 R HA 0.216 4.556 4.340 -0.000 0.000 0.248 126 R C 1.215 177.608 176.300 0.154 0.000 1.439 126 R CA -0.292 55.902 56.100 0.157 0.000 1.288 126 R CB 0.116 30.581 30.300 0.275 0.000 1.212 126 R HN 0.645 nan 8.270 nan 0.000 0.605 127 L N 1.003 122.247 121.223 0.034 0.000 2.129 127 L HA -0.265 4.075 4.340 -0.000 0.000 0.212 127 L C 1.781 178.606 176.870 -0.075 0.000 1.087 127 L CA 1.598 56.295 54.840 -0.238 0.000 0.757 127 L CB -0.270 41.445 42.059 -0.573 0.000 0.896 127 L HN 0.473 nan 8.230 nan 0.000 0.434 128 D N -1.398 119.141 120.400 0.233 0.000 2.378 128 D HA -0.226 4.414 4.640 -0.000 0.000 0.222 128 D C 1.618 177.896 176.300 -0.037 0.000 0.980 128 D CA 0.761 54.885 54.000 0.208 0.000 0.907 128 D CB -0.299 40.537 40.800 0.059 0.000 0.899 128 D HN 0.454 nan 8.370 nan 0.000 0.527 129 W N 0.952 122.259 121.300 0.012 0.000 3.197 129 W HA 0.305 4.965 4.660 -0.000 0.000 0.274 129 W C 0.579 177.087 176.519 -0.019 0.000 1.297 129 W CA -0.520 56.821 57.345 -0.007 0.000 1.662 129 W CB 0.163 29.609 29.460 -0.023 0.000 1.106 129 W HN -0.199 nan 8.180 nan 0.000 0.663 130 L N 2.094 123.387 121.223 0.117 0.000 2.462 130 L HA 0.004 4.344 4.340 -0.000 0.000 0.272 130 L C 1.652 178.583 176.870 0.103 0.000 1.166 130 L CA -0.110 54.765 54.840 0.059 0.000 0.880 130 L CB 0.682 42.672 42.059 -0.116 0.000 1.142 130 L HN -0.110 nan 8.230 nan 0.000 0.473 131 K N 1.383 121.851 120.400 0.113 0.000 2.025 131 K HA -0.029 4.291 4.320 -0.000 0.000 0.207 131 K C -0.016 176.658 176.600 0.123 0.000 1.049 131 K CA 1.197 57.547 56.287 0.104 0.000 0.933 131 K CB -0.020 32.535 32.500 0.090 0.000 0.714 131 K HN 0.579 nan 8.250 nan 0.000 0.438 132 D N -0.941 119.544 120.400 0.142 0.000 2.362 132 D HA 0.303 4.943 4.640 -0.000 0.000 0.247 132 D C -1.300 175.168 176.300 0.280 0.000 1.050 132 D CA -0.396 53.707 54.000 0.172 0.000 0.839 132 D CB 1.414 42.289 40.800 0.125 0.000 1.283 132 D HN -0.056 nan 8.370 nan 0.000 0.477 133 F N 2.106 122.099 119.950 0.072 0.000 2.671 133 F HA 0.285 4.812 4.527 -0.000 0.000 0.332 133 F C -0.957 174.872 175.800 0.048 0.000 1.189 133 F CA -0.826 57.212 58.000 0.062 0.000 0.988 133 F CB 1.122 40.171 39.000 0.082 0.000 1.258 133 F HN 0.046 nan 8.300 nan 0.000 0.471 134 N N 8.507 127.168 118.700 -0.066 0.000 2.816 134 N HA 0.217 4.957 4.740 -0.000 0.000 0.236 134 N C -2.258 172.987 175.510 -0.441 0.000 1.076 134 N CA -1.526 51.384 53.050 -0.233 0.000 0.902 134 N CB 1.470 39.922 38.487 -0.059 0.000 1.149 134 N HN 0.344 nan 8.380 nan 0.000 0.506 135 P HA -0.248 nan 4.420 nan 0.000 0.210 135 P C 1.814 178.944 177.300 -0.283 0.000 1.151 135 P CA 1.020 63.645 63.100 -0.792 0.000 0.949 135 P CB 0.509 31.829 31.700 -0.634 0.000 0.786 136 L N -0.905 120.195 121.223 -0.206 0.000 1.976 136 L HA -0.303 4.037 4.340 -0.000 0.000 0.223 136 L C 2.633 179.462 176.870 -0.067 0.000 1.081 136 L CA 2.071 56.843 54.840 -0.113 0.000 0.784 136 L CB -0.820 41.186 42.059 -0.089 0.000 0.896 136 L HN 0.102 nan 8.230 nan 0.000 0.438 137 E N -0.328 119.839 120.200 -0.056 0.000 2.017 137 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 137 E C 1.756 178.373 176.600 0.029 0.000 0.997 137 E CA 1.759 58.153 56.400 -0.011 0.000 0.804 137 E CB 0.044 29.740 29.700 -0.006 0.000 0.757 137 E HN 0.459 nan 8.360 nan 0.000 0.448 138 D N 0.676 121.112 120.400 0.060 0.000 2.097 138 D HA -0.167 4.473 4.640 -0.000 0.000 0.195 138 D C 2.208 178.610 176.300 0.170 0.000 0.989 138 D CA 0.865 54.959 54.000 0.156 0.000 0.827 138 D CB -0.366 40.618 40.800 0.306 0.000 0.966 138 D HN 0.265 nan 8.370 nan 0.000 0.456 139 L N 0.325 121.633 121.223 0.142 0.000 2.042 139 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 139 L C 2.410 179.311 176.870 0.052 0.000 1.076 139 L CA 1.064 55.947 54.840 0.072 0.000 0.749 139 L CB -0.323 41.685 42.059 -0.085 0.000 0.893 139 L HN -0.012 nan 8.230 nan 0.000 0.432 140 K N -0.032 120.385 120.400 0.028 0.000 2.032 140 K HA -0.154 4.166 4.320 -0.000 0.000 0.209 140 K C 1.980 178.618 176.600 0.063 0.000 1.048 140 K CA 2.041 58.345 56.287 0.029 0.000 0.927 140 K CB -0.450 32.057 32.500 0.011 0.000 0.712 140 K HN 0.156 nan 8.250 nan 0.000 0.441 141 T N 1.120 115.719 114.554 0.075 0.000 2.652 141 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 141 T C 1.849 176.612 174.700 0.106 0.000 1.039 141 T CA 1.832 63.980 62.100 0.081 0.000 1.153 141 T CB -0.317 68.600 68.868 0.081 0.000 0.863 141 T HN 0.162 nan 8.240 nan 0.000 0.428 142 I N 0.640 121.301 120.570 0.151 0.000 2.151 142 I HA -0.181 3.989 4.170 -0.000 0.000 0.243 142 I C 2.336 178.572 176.117 0.199 0.000 1.080 142 I CA 1.489 62.900 61.300 0.186 0.000 1.339 142 I CB -0.476 37.701 38.000 0.295 0.000 1.039 142 I HN 0.220 nan 8.210 nan 0.000 0.409 143 I N 0.538 121.252 120.570 0.240 0.000 2.286 143 I HA -0.317 3.853 4.170 -0.000 0.000 0.248 143 I C 2.650 178.846 176.117 0.131 0.000 1.115 143 I CA 1.393 62.824 61.300 0.217 0.000 1.392 143 I CB -0.379 37.731 38.000 0.183 0.000 1.065 143 I HN 0.264 nan 8.210 nan 0.000 0.418 144 K N 1.648 122.108 120.400 0.100 0.000 1.991 144 K HA -0.154 4.166 4.320 -0.000 0.000 0.207 144 K C 2.024 178.661 176.600 0.061 0.000 1.045 144 K CA 1.330 57.659 56.287 0.069 0.000 0.937 144 K CB 0.009 32.541 32.500 0.054 0.000 0.720 144 K HN 0.141 nan 8.250 nan 0.000 0.438 145 K N 0.851 121.288 120.400 0.061 0.000 2.365 145 K HA -0.007 4.313 4.320 -0.000 0.000 0.199 145 K C 0.772 177.398 176.600 0.043 0.000 1.045 145 K CA 0.155 56.469 56.287 0.045 0.000 0.962 145 K CB 0.091 32.617 32.500 0.043 0.000 0.759 145 K HN 0.021 nan 8.250 nan 0.000 0.469 146 S N 2.211 117.949 115.700 0.062 0.000 2.488 146 S HA 0.098 4.568 4.470 -0.000 0.000 0.278 146 S C -1.508 173.128 174.600 0.061 0.000 1.259 146 S CA -1.516 56.719 58.200 0.059 0.000 1.061 146 S CB 0.777 64.019 63.200 0.069 0.000 0.910 146 S HN 0.065 nan 8.310 nan 0.000 0.491 147 P HA 0.166 nan 4.420 nan 0.000 0.245 147 P C -0.318 177.083 177.300 0.170 0.000 1.212 147 P CA 0.331 63.474 63.100 0.072 0.000 0.774 147 P CB 0.127 31.798 31.700 -0.049 0.000 0.999 148 L N -0.423 120.880 121.223 0.132 0.000 2.333 148 L HA 0.526 4.866 4.340 -0.000 0.000 0.263 148 L C -2.536 174.388 176.870 0.091 0.000 1.014 148 L CA -3.002 51.905 54.840 0.111 0.000 0.820 148 L CB 1.910 44.016 42.059 0.079 0.000 1.352 148 L HN -0.398 nan 8.230 nan 0.000 0.421 149 P HA 0.037 nan 4.420 nan 0.000 0.267 149 P C -0.914 176.463 177.300 0.128 0.000 1.200 149 P CA -0.041 63.140 63.100 0.135 0.000 0.772 149 P CB 0.456 32.260 31.700 0.174 0.000 0.855 150 T N 0.488 115.141 114.554 0.164 0.000 2.823 150 T HA 0.617 4.967 4.350 -0.000 0.000 0.279 150 T C -0.804 173.986 174.700 0.150 0.000 0.998 150 T CA -0.852 61.277 62.100 0.047 0.000 0.994 150 T CB 0.796 69.671 68.868 0.012 0.000 0.960 150 T HN 0.204 nan 8.240 nan 0.000 0.448 151 L N 3.393 124.582 121.223 -0.056 0.000 2.343 151 L HA 0.736 5.075 4.340 -0.000 0.000 0.278 151 L C -1.836 174.960 176.870 -0.124 0.000 0.996 151 L CA -1.080 53.803 54.840 0.071 0.000 0.831 151 L CB 0.511 42.545 42.059 -0.042 0.000 1.232 151 L HN 0.690 nan 8.230 nan 0.000 0.413 152 F N 2.891 122.943 119.950 0.169 0.000 2.420 152 F HA 0.712 5.239 4.527 -0.000 0.000 0.342 152 F C 0.623 176.486 175.800 0.105 0.000 1.113 152 F CA -0.228 57.845 58.000 0.121 0.000 1.059 152 F CB 2.117 41.189 39.000 0.120 0.000 1.128 152 F HN 0.443 nan 8.300 nan 0.000 0.475 153 T N 3.043 117.736 114.554 0.230 0.000 2.886 153 T HA 0.255 4.605 4.350 -0.000 0.000 0.292 153 T C -1.239 173.587 174.700 0.209 0.000 1.012 153 T CA -0.512 61.694 62.100 0.176 0.000 0.982 153 T CB 0.973 69.919 68.868 0.130 0.000 1.018 153 T HN 0.611 nan 8.240 nan 0.000 0.451 154 Y N 2.450 122.741 120.300 -0.014 0.000 2.470 154 Y HA 0.397 4.947 4.550 -0.000 0.000 0.352 154 Y C 0.360 176.165 175.900 -0.158 0.000 0.967 154 Y CA -1.235 56.813 58.100 -0.087 0.000 1.121 154 Y CB 0.322 38.707 38.460 -0.124 0.000 1.149 154 Y HN 0.436 nan 8.280 nan 0.000 0.641 155 R N 4.570 125.066 120.500 -0.007 0.000 2.480 155 R HA 0.090 4.429 4.340 -0.000 0.000 0.303 155 R C -2.639 173.488 176.300 -0.289 0.000 0.985 155 R CA -1.400 54.592 56.100 -0.180 0.000 1.051 155 R CB 0.241 30.467 30.300 -0.124 0.000 0.935 155 R HN 0.247 nan 8.270 nan 0.000 0.410 156 P HA 0.090 nan 4.420 nan 0.000 0.281 156 P C -0.545 176.424 177.300 -0.551 0.000 1.249 156 P CA -0.430 62.337 63.100 -0.556 0.000 0.810 156 P CB 1.305 32.354 31.700 -1.085 0.000 1.008 157 K N 3.049 123.242 120.400 -0.344 0.000 2.113 157 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 157 K C 1.680 178.197 176.600 -0.137 0.000 1.047 157 K CA 1.943 58.099 56.287 -0.217 0.000 0.928 157 K CB -0.889 31.534 32.500 -0.129 0.000 0.716 157 K HN 0.621 nan 8.250 nan 0.000 0.446 158 W N -0.176 121.102 121.300 -0.036 0.000 2.848 158 W HA 0.028 4.688 4.660 0.000 0.000 0.241 158 W C 0.370 176.890 176.519 0.001 0.000 1.289 158 W CA 0.584 57.919 57.345 -0.017 0.000 1.396 158 W CB -0.262 29.197 29.460 -0.001 0.000 1.138 158 W HN 0.168 nan 8.180 nan 0.000 0.677 159 E N 0.045 120.126 120.200 -0.199 0.000 2.812 159 E HA 0.282 4.631 4.350 -0.000 0.000 0.211 159 E C 1.345 177.848 176.600 -0.162 0.000 0.986 159 E CA 0.257 56.577 56.400 -0.132 0.000 1.119 159 E CB -0.029 29.438 29.700 -0.388 0.000 1.046 159 E HN 0.183 nan 8.360 nan 0.000 0.474 160 G N -0.609 108.093 108.800 -0.164 0.000 2.159 160 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.256 160 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.256 160 G C 0.625 175.397 174.900 -0.212 0.000 0.977 160 G CA 0.161 45.131 45.100 -0.217 0.000 0.652 160 G HN 0.618 nan 8.290 nan 0.000 0.531 161 G N -1.638 107.011 108.800 -0.251 0.000 2.531 161 G HA2 0.529 4.489 3.960 -0.000 0.000 0.281 161 G HA3 0.529 4.489 3.960 -0.000 0.000 0.281 161 G C 0.711 175.419 174.900 -0.320 0.000 1.382 161 G CA 0.485 45.433 45.100 -0.253 0.000 1.045 161 G HN 0.154 nan 8.290 nan 0.000 0.533 162 Q N -1.518 118.041 119.800 -0.402 0.000 2.378 162 Q HA 0.079 4.419 4.340 -0.000 0.000 0.216 162 Q C -0.067 175.762 176.000 -0.285 0.000 0.892 162 Q CA -0.275 55.252 55.803 -0.459 0.000 0.931 162 Q CB 0.240 28.492 28.738 -0.811 0.000 1.086 162 Q HN 0.538 nan 8.270 nan 0.000 0.528 163 Y N 2.582 122.678 120.300 -0.340 0.000 2.511 163 Y HA 0.045 4.595 4.550 -0.000 0.000 0.332 163 Y C -0.154 175.592 175.900 -0.256 0.000 1.177 163 Y CA 0.388 58.298 58.100 -0.317 0.000 1.422 163 Y CB 0.462 38.606 38.460 -0.526 0.000 1.271 163 Y HN -0.100 nan 8.280 nan 0.000 0.550 164 E N 3.638 123.231 120.200 -1.011 0.000 2.317 164 E HA 0.670 5.020 4.350 -0.000 0.000 0.270 164 E C -0.322 175.674 176.600 -1.007 0.000 0.885 164 E CA -0.437 55.534 56.400 -0.715 0.000 0.760 164 E CB 2.052 31.529 29.700 -0.373 0.000 1.227 164 E HN 0.966 nan 8.360 nan 0.000 0.434 165 G N 1.958 110.466 108.800 -0.486 0.000 2.280 165 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.277 165 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.277 165 G C -1.384 173.537 174.900 0.035 0.000 1.288 165 G CA -0.748 44.200 45.100 -0.254 0.000 1.075 165 G HN 0.624 nan 8.290 nan 0.000 0.480 166 D N -0.263 120.221 120.400 0.139 0.000 2.425 166 D HA 0.416 5.056 4.640 -0.000 0.000 0.247 166 D C 1.335 177.803 176.300 0.279 0.000 1.147 166 D CA 0.499 54.609 54.000 0.184 0.000 0.879 166 D CB 1.328 42.215 40.800 0.145 0.000 1.179 166 D HN 0.584 nan 8.370 nan 0.000 0.456 167 E N 2.986 123.321 120.200 0.227 0.000 2.107 167 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 167 E C 1.089 177.791 176.600 0.170 0.000 0.982 167 E CA 1.305 57.842 56.400 0.229 0.000 0.809 167 E CB 0.005 29.832 29.700 0.210 0.000 0.756 167 E HN 0.483 nan 8.360 nan 0.000 0.459 168 N N 0.656 119.443 118.700 0.144 0.000 2.188 168 N HA -0.128 4.612 4.740 -0.000 0.000 0.184 168 N C 1.527 177.113 175.510 0.128 0.000 1.018 168 N CA 1.276 54.403 53.050 0.127 0.000 0.858 168 N CB -0.113 38.431 38.487 0.095 0.000 0.989 168 N HN 0.401 nan 8.380 nan 0.000 0.426 169 E N 0.740 121.022 120.200 0.137 0.000 2.072 169 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 169 E C 2.068 178.754 176.600 0.143 0.000 0.985 169 E CA 0.526 57.012 56.400 0.144 0.000 0.801 169 E CB -0.020 29.789 29.700 0.182 0.000 0.750 169 E HN 0.271 nan 8.360 nan 0.000 0.452 170 R N 1.238 121.764 120.500 0.043 0.000 2.083 170 R HA -0.134 4.206 4.340 -0.000 0.000 0.237 170 R C 2.292 178.660 176.300 0.113 0.000 1.137 170 R CA 1.476 57.466 56.100 -0.183 0.000 0.951 170 R CB 0.019 29.967 30.300 -0.588 0.000 0.851 170 R HN 0.043 nan 8.270 nan 0.000 0.434 171 R N 0.154 120.744 120.500 0.150 0.000 2.096 171 R HA -0.102 4.238 4.340 -0.000 0.000 0.235 171 R C 1.829 178.311 176.300 0.303 0.000 1.127 171 R CA 1.455 57.731 56.100 0.292 0.000 0.968 171 R CB -0.242 30.272 30.300 0.357 0.000 0.861 171 R HN 0.327 nan 8.270 nan 0.000 0.440 172 D N 0.336 120.849 120.400 0.190 0.000 2.117 172 D HA -0.122 4.518 4.640 -0.000 0.000 0.197 172 D C 1.990 178.357 176.300 0.111 0.000 0.987 172 D CA 1.022 55.098 54.000 0.125 0.000 0.829 172 D CB -0.172 40.675 40.800 0.079 0.000 0.961 172 D HN -0.003 nan 8.370 nan 0.000 0.460 173 V N 1.235 121.231 119.914 0.137 0.000 2.255 173 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 173 V C 2.701 178.839 176.094 0.073 0.000 1.051 173 V CA 1.248 63.596 62.300 0.079 0.000 1.018 173 V CB -0.526 31.366 31.823 0.117 0.000 0.641 173 V HN 0.208 nan 8.190 nan 0.000 0.445 174 L N -0.700 120.625 121.223 0.170 0.000 2.042 174 L HA -0.206 4.133 4.340 -0.000 0.000 0.210 174 L C 2.791 179.803 176.870 0.238 0.000 1.076 174 L CA 1.721 56.678 54.840 0.194 0.000 0.749 174 L CB -0.649 41.510 42.059 0.167 0.000 0.893 174 L HN 0.250 nan 8.230 nan 0.000 0.432 175 R N -0.210 120.454 120.500 0.273 0.000 2.096 175 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 175 R C 2.335 178.620 176.300 -0.025 0.000 1.127 175 R CA 1.124 57.295 56.100 0.118 0.000 0.968 175 R CB -0.357 29.964 30.300 0.035 0.000 0.861 175 R HN 0.346 nan 8.270 nan 0.000 0.440 176 L N 0.310 121.517 121.223 -0.028 0.000 2.017 176 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 176 L C 2.539 179.320 176.870 -0.149 0.000 1.073 176 L CA 1.393 56.180 54.840 -0.088 0.000 0.745 176 L CB -0.508 41.499 42.059 -0.088 0.000 0.894 176 L HN 0.244 nan 8.230 nan 0.000 0.432 177 A N -0.236 122.471 122.820 -0.189 0.000 1.892 177 A HA -0.348 3.972 4.320 -0.000 0.000 0.218 177 A C 2.314 179.770 177.584 -0.213 0.000 1.188 177 A CA 2.423 54.247 52.037 -0.355 0.000 0.631 177 A CB -0.728 17.984 19.000 -0.480 0.000 0.822 177 A HN 0.576 nan 8.150 nan 0.000 0.447 178 M N 0.331 119.819 119.600 -0.188 0.000 2.065 178 M HA -0.227 4.253 4.480 -0.000 0.000 0.259 178 M C 2.024 178.096 176.300 -0.381 0.000 1.069 178 M CA 2.539 57.542 55.300 -0.495 0.000 1.110 178 M CB -0.506 31.535 32.600 -0.932 0.000 1.328 178 M HN 0.653 nan 8.290 nan 0.000 0.405 179 E N 0.092 120.133 120.200 -0.265 0.000 2.347 179 E HA -0.139 4.211 4.350 -0.000 0.000 0.196 179 E C 1.680 178.206 176.600 -0.123 0.000 1.008 179 E CA 0.789 57.079 56.400 -0.182 0.000 0.852 179 E CB -0.489 29.126 29.700 -0.140 0.000 0.783 179 E HN 0.583 nan 8.360 nan 0.000 0.505 180 L N 0.222 121.373 121.223 -0.121 0.000 2.592 180 L HA 0.231 4.571 4.340 -0.000 0.000 0.227 180 L C 1.158 178.007 176.870 -0.035 0.000 1.127 180 L CA 0.475 55.267 54.840 -0.080 0.000 0.884 180 L CB 0.284 42.283 42.059 -0.101 0.000 1.065 180 L HN 0.467 nan 8.230 nan 0.000 0.457 181 G N -0.388 108.396 108.800 -0.026 0.000 2.175 181 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.182 181 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.182 181 G C 0.376 175.360 174.900 0.141 0.000 1.003 181 G CA -0.200 44.928 45.100 0.046 0.000 0.666 181 G HN 0.392 nan 8.290 nan 0.000 0.506 182 A N 0.237 123.164 122.820 0.178 0.000 2.520 182 A HA 0.490 4.810 4.320 -0.000 0.000 0.235 182 A C 1.206 179.050 177.584 0.432 0.000 1.065 182 A CA 0.988 53.269 52.037 0.407 0.000 0.764 182 A CB 0.273 19.560 19.000 0.478 0.000 1.002 182 A HN 0.255 nan 8.150 nan 0.000 0.502 183 D N -0.344 120.260 120.400 0.340 0.000 2.213 183 D HA 0.099 4.738 4.640 -0.000 0.000 0.205 183 D C -0.473 175.676 176.300 -0.253 0.000 0.961 183 D CA 1.661 55.680 54.000 0.032 0.000 0.853 183 D CB 0.116 40.894 40.800 -0.037 0.000 0.967 183 D HN 0.658 nan 8.370 nan 0.000 0.496 184 Y N -0.779 119.624 120.300 0.171 0.000 2.638 184 Y HA 0.369 4.919 4.550 -0.000 0.000 0.335 184 Y C -0.701 175.318 175.900 0.200 0.000 1.155 184 Y CA -1.583 56.498 58.100 -0.033 0.000 1.046 184 Y CB 1.385 39.830 38.460 -0.024 0.000 1.303 184 Y HN -0.283 nan 8.280 nan 0.000 0.460 185 I N -1.320 119.420 120.570 0.284 0.000 2.722 185 I HA 0.590 4.760 4.170 -0.000 0.000 0.295 185 I C -1.654 174.554 176.117 0.153 0.000 1.161 185 I CA -0.741 60.746 61.300 0.313 0.000 1.032 185 I CB 2.234 40.481 38.000 0.411 0.000 1.244 185 I HN 0.495 nan 8.210 nan 0.000 0.421 186 D N 4.527 124.998 120.400 0.119 0.000 2.349 186 D HA 0.459 5.099 4.640 -0.000 0.000 0.232 186 D C -1.404 174.897 176.300 0.003 0.000 1.071 186 D CA -0.157 53.881 54.000 0.063 0.000 0.832 186 D CB 2.078 42.933 40.800 0.091 0.000 1.086 186 D HN 0.579 nan 8.370 nan 0.000 0.504 187 V N 3.627 123.518 119.914 -0.038 0.000 2.555 187 V HA 0.329 4.449 4.120 -0.000 0.000 0.302 187 V C -0.621 175.475 176.094 0.002 0.000 1.038 187 V CA -0.692 61.542 62.300 -0.111 0.000 0.887 187 V CB 1.707 33.362 31.823 -0.280 0.000 0.991 187 V HN 0.462 nan 8.190 nan 0.000 0.434 188 E N 4.080 124.306 120.200 0.044 0.000 2.414 188 E HA 0.078 4.428 4.350 -0.000 0.000 0.263 188 E C 0.691 177.388 176.600 0.162 0.000 1.000 188 E CA 0.019 56.504 56.400 0.141 0.000 0.914 188 E CB 0.812 30.647 29.700 0.226 0.000 0.948 188 E HN 0.649 nan 8.360 nan 0.000 0.444 189 L N 3.372 124.681 121.223 0.144 0.000 2.021 189 L HA -0.331 4.009 4.340 -0.000 0.000 0.215 189 L C 2.080 179.028 176.870 0.130 0.000 1.074 189 L CA 2.172 57.081 54.840 0.115 0.000 0.760 189 L CB -0.676 41.437 42.059 0.089 0.000 0.889 189 L HN 0.722 nan 8.230 nan 0.000 0.433 190 Q N -0.532 119.369 119.800 0.168 0.000 2.173 190 Q HA -0.176 4.164 4.340 -0.000 0.000 0.208 190 Q C 1.624 177.679 176.000 0.092 0.000 0.989 190 Q CA 2.749 58.618 55.803 0.110 0.000 0.872 190 Q CB -0.319 28.470 28.738 0.085 0.000 0.909 190 Q HN 0.603 nan 8.270 nan 0.000 0.420 191 V N -4.191 115.824 119.914 0.168 0.000 3.346 191 V HA 0.584 4.704 4.120 -0.000 0.000 0.309 191 V C 1.556 177.768 176.094 0.196 0.000 1.457 191 V CA 0.441 62.842 62.300 0.167 0.000 1.069 191 V CB -0.249 31.707 31.823 0.222 0.000 0.944 191 V HN 0.241 nan 8.190 nan 0.000 0.449 192 A N 1.319 124.241 122.820 0.170 0.000 1.940 192 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 192 A C 2.362 180.069 177.584 0.205 0.000 1.176 192 A CA 2.559 54.710 52.037 0.189 0.000 0.631 192 A CB -0.827 18.252 19.000 0.132 0.000 0.814 192 A HN 0.598 nan 8.150 nan 0.000 0.446 193 S N -0.266 115.519 115.700 0.143 0.000 2.348 193 S HA -0.192 4.278 4.470 -0.000 0.000 0.221 193 S C 1.875 176.545 174.600 0.117 0.000 1.033 193 S CA 1.669 59.936 58.200 0.112 0.000 1.010 193 S CB -0.381 62.864 63.200 0.075 0.000 0.891 193 S HN 0.728 nan 8.310 nan 0.000 0.442 194 E N 0.127 120.401 120.200 0.124 0.000 2.058 194 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 194 E C 1.815 178.490 176.600 0.124 0.000 0.997 194 E CA 1.229 57.694 56.400 0.107 0.000 0.801 194 E CB -0.251 29.517 29.700 0.113 0.000 0.746 194 E HN 0.476 nan 8.360 nan 0.000 0.450 195 F N 1.313 121.307 119.950 0.074 0.000 2.075 195 F HA -0.175 4.351 4.527 -0.000 0.000 0.297 195 F C 2.064 177.915 175.800 0.085 0.000 1.113 195 F CA 1.428 59.480 58.000 0.086 0.000 1.218 195 F CB -0.098 38.968 39.000 0.110 0.000 0.984 195 F HN -0.087 nan 8.300 nan 0.000 0.472 196 I N 0.141 120.846 120.570 0.226 0.000 2.286 196 I HA -0.321 3.848 4.170 -0.000 0.000 0.248 196 I C 2.252 178.371 176.117 0.003 0.000 1.115 196 I CA 1.401 62.780 61.300 0.131 0.000 1.392 196 I CB -0.554 37.553 38.000 0.178 0.000 1.065 196 I HN 0.157 nan 8.210 nan 0.000 0.418 197 K N 0.735 121.139 120.400 0.006 0.000 2.057 197 K HA -0.161 4.159 4.320 -0.000 0.000 0.207 197 K C 2.269 178.827 176.600 -0.070 0.000 1.049 197 K CA 1.842 58.120 56.287 -0.016 0.000 0.931 197 K CB -0.258 32.244 32.500 0.003 0.000 0.714 197 K HN 0.386 nan 8.250 nan 0.000 0.440 198 S N 1.487 117.105 115.700 -0.137 0.000 2.442 198 S HA -0.104 4.366 4.470 -0.000 0.000 0.236 198 S C 1.757 176.226 174.600 -0.219 0.000 1.007 198 S CA 1.000 59.088 58.200 -0.187 0.000 0.965 198 S CB -0.621 62.424 63.200 -0.259 0.000 0.773 198 S HN 0.481 nan 8.310 nan 0.000 0.504 199 I N -1.140 119.286 120.570 -0.239 0.000 3.941 199 I HA 0.401 4.570 4.170 -0.000 0.000 0.335 199 I C -0.120 175.953 176.117 -0.072 0.000 1.402 199 I CA -0.655 60.540 61.300 -0.175 0.000 1.112 199 I CB -0.421 37.469 38.000 -0.182 0.000 1.043 199 I HN -0.079 nan 8.210 nan 0.000 0.395 200 D N 2.664 123.031 120.400 -0.054 0.000 2.472 200 D HA 0.255 4.895 4.640 -0.000 0.000 0.248 200 D C 1.476 177.765 176.300 -0.019 0.000 1.174 200 D CA 1.801 55.790 54.000 -0.019 0.000 0.883 200 D CB 0.506 41.297 40.800 -0.015 0.000 1.149 200 D HN 0.567 nan 8.370 nan 0.000 0.488 201 G N 3.714 112.512 108.800 -0.003 0.000 2.176 201 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.252 201 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.252 201 G C 0.646 175.536 174.900 -0.017 0.000 1.024 201 G CA 0.567 45.664 45.100 -0.005 0.000 0.755 201 G HN 0.618 nan 8.290 nan 0.000 0.507 202 K N -1.050 119.337 120.400 -0.023 0.000 2.582 202 K HA 0.117 4.437 4.320 -0.000 0.000 0.204 202 K C 0.458 177.024 176.600 -0.056 0.000 1.221 202 K CA -0.385 55.874 56.287 -0.047 0.000 1.048 202 K CB 0.935 33.391 32.500 -0.074 0.000 1.011 202 K HN 0.265 nan 8.250 nan 0.000 0.597 203 K N 2.554 122.953 120.400 -0.001 0.000 2.312 203 K HA 0.218 4.538 4.320 -0.000 0.000 0.287 203 K C -2.474 174.158 176.600 0.053 0.000 1.062 203 K CA -1.565 54.753 56.287 0.051 0.000 0.934 203 K CB 0.404 33.022 32.500 0.196 0.000 1.027 203 K HN -0.138 nan 8.250 nan 0.000 0.478 204 P HA -0.050 nan 4.420 nan 0.000 0.271 204 P C 0.974 178.335 177.300 0.101 0.000 1.238 204 P CA -0.153 62.972 63.100 0.040 0.000 0.794 204 P CB 0.557 32.263 31.700 0.010 0.000 0.959 205 G N 1.127 109.966 108.800 0.066 0.000 2.418 205 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 205 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 205 G C 0.895 175.833 174.900 0.063 0.000 1.158 205 G CA 0.765 45.900 45.100 0.058 0.000 0.771 205 G HN 0.668 nan 8.290 nan 0.000 0.545 206 K N -0.879 119.562 120.400 0.069 0.000 2.387 206 K HA 0.281 4.601 4.320 -0.000 0.000 0.198 206 K C 0.019 176.637 176.600 0.029 0.000 1.022 206 K CA -0.718 55.588 56.287 0.032 0.000 1.128 206 K CB -0.004 32.507 32.500 0.019 0.000 0.853 206 K HN 0.142 nan 8.250 nan 0.000 0.523 207 F N 3.112 123.026 119.950 -0.059 0.000 2.427 207 F HA 0.274 4.801 4.527 -0.000 0.000 0.352 207 F C -0.420 175.349 175.800 -0.051 0.000 1.100 207 F CA -0.252 57.714 58.000 -0.057 0.000 1.191 207 F CB 0.791 39.793 39.000 0.004 0.000 1.128 207 F HN -0.149 nan 8.300 nan 0.000 0.533 208 K N 5.063 124.960 120.400 -0.838 0.000 2.397 208 K HA 0.526 4.846 4.320 -0.000 0.000 0.253 208 K C -1.528 174.688 176.600 -0.641 0.000 0.932 208 K CA -0.990 54.967 56.287 -0.549 0.000 0.795 208 K CB 2.444 34.777 32.500 -0.278 0.000 1.159 208 K HN 0.348 nan 8.250 nan 0.000 0.424 209 V N 4.957 124.663 119.914 -0.347 0.000 2.383 209 V HA 0.337 4.457 4.120 -0.000 0.000 0.275 209 V C 0.061 176.131 176.094 -0.040 0.000 1.036 209 V CA -0.628 61.585 62.300 -0.146 0.000 0.889 209 V CB 0.782 32.647 31.823 0.070 0.000 0.985 209 V HN 0.624 nan 8.190 nan 0.000 0.459 210 I N 5.311 125.876 120.570 -0.008 0.000 2.331 210 I HA 0.403 4.573 4.170 -0.000 0.000 0.292 210 I C -0.426 175.695 176.117 0.008 0.000 0.998 210 I CA -0.574 60.719 61.300 -0.012 0.000 1.267 210 I CB 1.787 39.779 38.000 -0.014 0.000 1.386 210 I HN 0.266 nan 8.210 nan 0.000 0.476 211 V N 5.668 125.585 119.914 0.004 0.000 2.384 211 V HA 0.362 4.482 4.120 -0.000 0.000 0.287 211 V C 0.112 176.208 176.094 0.003 0.000 1.020 211 V CA -0.373 61.939 62.300 0.020 0.000 0.850 211 V CB 1.625 33.470 31.823 0.037 0.000 0.987 211 V HN 0.893 nan 8.190 nan 0.000 0.436 212 S N 3.319 119.025 115.700 0.011 0.000 2.607 212 S HA 0.847 5.317 4.470 -0.000 0.000 0.303 212 S C -0.425 174.153 174.600 -0.038 0.000 1.086 212 S CA -0.701 57.472 58.200 -0.044 0.000 0.995 212 S CB 2.045 65.207 63.200 -0.064 0.000 1.084 212 S HN 0.696 nan 8.310 nan 0.000 0.507 213 S N 0.239 115.842 115.700 -0.162 0.000 2.547 213 S HA 0.611 5.081 4.470 -0.000 0.000 0.281 213 S C -1.916 172.489 174.600 -0.325 0.000 1.118 213 S CA -0.642 57.496 58.200 -0.103 0.000 0.947 213 S CB 0.630 63.797 63.200 -0.055 0.000 1.053 213 S HN 0.820 nan 8.310 nan 0.000 0.482 214 H N 2.462 121.456 119.070 -0.125 0.000 2.538 214 H HA 0.531 5.087 4.556 -0.000 0.000 0.353 214 H C -0.344 174.752 175.328 -0.388 0.000 1.109 214 H CA -0.690 55.157 56.048 -0.336 0.000 1.192 214 H CB 1.277 30.741 29.762 -0.498 0.000 1.555 214 H HN 0.465 nan 8.280 nan 0.000 0.518 215 N N 2.966 121.468 118.700 -0.330 0.000 2.524 215 N HA 0.049 4.789 4.740 -0.000 0.000 0.261 215 N C -0.832 174.527 175.510 -0.252 0.000 0.998 215 N CA -0.317 52.610 53.050 -0.206 0.000 0.915 215 N CB 0.510 38.939 38.487 -0.097 0.000 1.187 215 N HN 0.568 nan 8.380 nan 0.000 0.507 216 Y N 1.679 122.016 120.300 0.061 0.000 2.461 216 Y HA 0.154 4.704 4.550 -0.000 0.000 0.277 216 Y C 1.447 177.364 175.900 0.028 0.000 1.182 216 Y CA 0.080 58.205 58.100 0.042 0.000 1.276 216 Y CB 0.617 39.098 38.460 0.035 0.000 1.087 216 Y HN 0.513 nan 8.280 nan 0.000 0.519 217 Q N 0.126 119.996 119.800 0.118 0.000 2.481 217 Q HA 0.130 4.470 4.340 -0.000 0.000 0.219 217 Q C 0.539 176.566 176.000 0.045 0.000 0.920 217 Q CA 0.688 56.539 55.803 0.080 0.000 0.915 217 Q CB 0.489 29.265 28.738 0.063 0.000 1.057 217 Q HN 0.438 nan 8.270 nan 0.000 0.581 218 N N -2.066 116.648 118.700 0.023 0.000 3.517 218 N HA 0.172 4.912 4.740 -0.000 0.000 0.329 218 N C -1.338 174.165 175.510 -0.012 0.000 1.569 218 N CA -0.537 52.517 53.050 0.007 0.000 0.852 218 N CB 0.607 39.097 38.487 0.006 0.000 1.955 218 N HN -0.202 nan 8.380 nan 0.000 0.555 219 T N 1.457 116.000 114.554 -0.018 0.000 2.912 219 T HA 0.541 4.891 4.350 -0.000 0.000 0.326 219 T C -2.609 172.076 174.700 -0.026 0.000 1.080 219 T CA -0.635 61.447 62.100 -0.029 0.000 1.000 219 T CB 1.184 70.028 68.868 -0.040 0.000 1.008 219 T HN 0.326 nan 8.240 nan 0.000 0.473 220 P HA 0.078 nan 4.420 nan 0.000 0.272 220 P C 0.214 177.503 177.300 -0.019 0.000 1.243 220 P CA -0.327 62.763 63.100 -0.017 0.000 0.803 220 P CB 0.384 32.077 31.700 -0.012 0.000 0.974 221 S N -0.738 114.953 115.700 -0.016 0.000 2.589 221 S HA 0.042 4.512 4.470 -0.000 0.000 0.265 221 S C 1.350 175.948 174.600 -0.003 0.000 1.342 221 S CA -0.585 57.605 58.200 -0.017 0.000 1.005 221 S CB -0.053 63.137 63.200 -0.017 0.000 0.909 221 S HN 0.182 nan 8.310 nan 0.000 0.555 222 V N 1.411 121.328 119.914 0.004 0.000 2.392 222 V HA -0.199 3.921 4.120 -0.000 0.000 0.249 222 V C 2.769 178.884 176.094 0.036 0.000 1.059 222 V CA 2.395 64.721 62.300 0.043 0.000 1.051 222 V CB -1.326 30.542 31.823 0.074 0.000 0.658 222 V HN 1.060 nan 8.190 nan 0.000 0.455 223 E N 0.258 120.469 120.200 0.019 0.000 2.049 223 E HA -0.306 4.043 4.350 -0.000 0.000 0.198 223 E C 1.842 178.448 176.600 0.011 0.000 1.007 223 E CA 1.987 58.396 56.400 0.014 0.000 0.809 223 E CB -0.156 29.547 29.700 0.005 0.000 0.749 223 E HN 0.612 nan 8.360 nan 0.000 0.450 224 D N 0.418 120.821 120.400 0.006 0.000 2.144 224 D HA -0.117 4.523 4.640 -0.000 0.000 0.200 224 D C 2.177 178.479 176.300 0.004 0.000 0.978 224 D CA 0.692 54.694 54.000 0.003 0.000 0.833 224 D CB -0.195 40.605 40.800 -0.000 0.000 0.961 224 D HN 0.280 nan 8.370 nan 0.000 0.470 225 L N 0.701 121.928 121.223 0.005 0.000 2.046 225 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 225 L C 2.019 178.892 176.870 0.005 0.000 1.077 225 L CA 1.043 55.886 54.840 0.004 0.000 0.747 225 L CB -0.303 41.762 42.059 0.010 0.000 0.896 225 L HN -0.100 nan 8.230 nan 0.000 0.432 226 D N 0.214 120.621 120.400 0.012 0.000 2.104 226 D HA -0.161 4.479 4.640 -0.000 0.000 0.194 226 D C 2.113 178.416 176.300 0.005 0.000 0.994 226 D CA 1.555 55.561 54.000 0.009 0.000 0.830 226 D CB -0.382 40.428 40.800 0.017 0.000 0.959 226 D HN 0.331 nan 8.370 nan 0.000 0.452 227 G N 0.452 109.256 108.800 0.007 0.000 2.422 227 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.218 227 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.218 227 G C 1.549 176.452 174.900 0.005 0.000 1.146 227 G CA 0.623 45.727 45.100 0.006 0.000 0.769 227 G HN 0.254 nan 8.290 nan 0.000 0.547 228 L N 0.914 122.139 121.223 0.003 0.000 2.056 228 L HA 0.034 4.374 4.340 -0.000 0.000 0.207 228 L C 2.906 179.777 176.870 0.000 0.000 1.078 228 L CA 1.362 56.202 54.840 0.001 0.000 0.749 228 L CB -0.637 41.419 42.059 -0.005 0.000 0.901 228 L HN 0.081 nan 8.230 nan 0.000 0.433 229 V N 0.352 120.264 119.914 -0.002 0.000 2.287 229 V HA -0.326 3.794 4.120 -0.000 0.000 0.248 229 V C 2.851 178.945 176.094 0.000 0.000 1.053 229 V CA 1.762 64.059 62.300 -0.004 0.000 1.027 229 V CB -1.553 30.266 31.823 -0.007 0.000 0.646 229 V HN 0.615 nan 8.190 nan 0.000 0.447 230 A N 0.055 122.877 122.820 0.002 0.000 1.883 230 A HA -0.278 4.041 4.320 -0.000 0.000 0.217 230 A C 2.359 179.948 177.584 0.009 0.000 1.186 230 A CA 2.226 54.267 52.037 0.005 0.000 0.624 230 A CB -0.549 18.454 19.000 0.006 0.000 0.822 230 A HN 0.544 nan 8.150 nan 0.000 0.444 231 R N -0.571 119.935 120.500 0.011 0.000 2.083 231 R HA -0.074 4.266 4.340 -0.000 0.000 0.237 231 R C 2.060 178.372 176.300 0.020 0.000 1.137 231 R CA 1.714 57.824 56.100 0.016 0.000 0.951 231 R CB -0.550 29.760 30.300 0.017 0.000 0.851 231 R HN 0.585 nan 8.270 nan 0.000 0.434 232 I N 0.945 121.524 120.570 0.016 0.000 2.226 232 I HA -0.319 3.851 4.170 -0.000 0.000 0.245 232 I C 2.527 178.656 176.117 0.019 0.000 1.100 232 I CA 1.445 62.756 61.300 0.018 0.000 1.374 232 I CB -0.360 37.644 38.000 0.007 0.000 1.057 232 I HN 0.277 nan 8.210 nan 0.000 0.413 233 Q N 0.188 119.995 119.800 0.012 0.000 2.061 233 Q HA -0.269 4.071 4.340 -0.000 0.000 0.204 233 Q C 2.255 178.267 176.000 0.019 0.000 0.984 233 Q CA 1.390 57.200 55.803 0.011 0.000 0.846 233 Q CB -0.192 28.550 28.738 0.006 0.000 0.902 233 Q HN 0.460 nan 8.270 nan 0.000 0.421 234 Q N -0.287 119.525 119.800 0.021 0.000 2.368 234 Q HA -0.141 4.199 4.340 -0.000 0.000 0.210 234 Q C 2.005 178.025 176.000 0.034 0.000 0.982 234 Q CA 1.732 57.550 55.803 0.024 0.000 0.884 234 Q CB -0.172 28.579 28.738 0.022 0.000 0.933 234 Q HN 0.556 nan 8.270 nan 0.000 0.460 235 T N -4.508 110.071 114.554 0.042 0.000 3.088 235 T HA 0.164 4.514 4.350 -0.000 0.000 0.259 235 T C 1.272 176.012 174.700 0.065 0.000 1.122 235 T CA 0.957 63.092 62.100 0.059 0.000 1.095 235 T CB 0.275 69.188 68.868 0.074 0.000 0.930 235 T HN 0.365 nan 8.240 nan 0.000 0.508 236 G N 0.987 109.817 108.800 0.051 0.000 2.144 236 G HA2 0.062 4.022 3.960 -0.000 0.000 0.218 236 G HA3 0.062 4.022 3.960 -0.000 0.000 0.218 236 G C 0.247 175.180 174.900 0.055 0.000 0.988 236 G CA -0.141 44.990 45.100 0.052 0.000 0.659 236 G HN 1.122 nan 8.290 nan 0.000 0.522 237 A N 0.016 122.865 122.820 0.048 0.000 2.483 237 A HA 0.500 4.820 4.320 -0.000 0.000 0.238 237 A C 1.236 178.823 177.584 0.005 0.000 1.070 237 A CA 0.973 53.031 52.037 0.034 0.000 0.770 237 A CB 0.317 19.329 19.000 0.021 0.000 1.008 237 A HN 0.219 nan 8.150 nan 0.000 0.497 238 D N 0.533 120.924 120.400 -0.016 0.000 2.240 238 D HA 0.121 4.761 4.640 -0.000 0.000 0.206 238 D C 0.127 176.374 176.300 -0.088 0.000 0.963 238 D CA 1.355 55.328 54.000 -0.045 0.000 0.863 238 D CB 0.181 40.943 40.800 -0.063 0.000 0.973 238 D HN 0.539 nan 8.370 nan 0.000 0.501 239 I N 1.108 121.615 120.570 -0.104 0.000 2.499 239 I HA 0.135 4.305 4.170 -0.000 0.000 0.288 239 I C -0.565 175.491 176.117 -0.102 0.000 1.048 239 I CA -0.784 60.415 61.300 -0.168 0.000 1.062 239 I CB 3.135 40.956 38.000 -0.298 0.000 1.238 239 I HN -0.397 nan 8.210 nan 0.000 0.426 240 V N 6.217 126.081 119.914 -0.084 0.000 2.488 240 V HA 0.224 4.343 4.120 -0.000 0.000 0.277 240 V C 0.130 176.199 176.094 -0.043 0.000 1.046 240 V CA -0.200 62.072 62.300 -0.046 0.000 0.986 240 V CB 1.195 33.000 31.823 -0.030 0.000 0.989 240 V HN 0.623 nan 8.190 nan 0.000 0.475 241 K N 5.989 126.365 120.400 -0.039 0.000 2.502 241 K HA 0.659 4.979 4.320 -0.000 0.000 0.254 241 K C -1.437 175.114 176.600 -0.082 0.000 0.947 241 K CA -0.512 55.751 56.287 -0.040 0.000 0.834 241 K CB 1.153 33.635 32.500 -0.030 0.000 1.112 241 K HN 0.630 nan 8.250 nan 0.000 0.427 242 I N 3.303 123.830 120.570 -0.071 0.000 2.466 242 I HA 0.428 4.598 4.170 -0.000 0.000 0.289 242 I C -0.797 175.248 176.117 -0.120 0.000 1.026 242 I CA -0.859 60.376 61.300 -0.110 0.000 1.078 242 I CB 2.129 40.093 38.000 -0.060 0.000 1.249 242 I HN 0.675 nan 8.210 nan 0.000 0.429 243 A N 4.557 127.249 122.820 -0.215 0.000 2.311 243 A HA 0.799 5.119 4.320 -0.000 0.000 0.306 243 A C -0.085 177.398 177.584 -0.167 0.000 1.189 243 A CA -0.449 51.481 52.037 -0.178 0.000 0.791 243 A CB 0.973 19.829 19.000 -0.239 0.000 1.172 243 A HN 0.715 nan 8.150 nan 0.000 0.481 244 T N -0.873 113.621 114.554 -0.101 0.000 2.870 244 T HA 0.806 5.155 4.350 -0.000 0.000 0.277 244 T C -0.016 174.652 174.700 -0.055 0.000 1.000 244 T CA -0.578 61.470 62.100 -0.086 0.000 0.982 244 T CB 1.534 70.366 68.868 -0.059 0.000 1.249 244 T HN 0.410 nan 8.240 nan 0.000 0.589 245 T N 1.172 115.708 114.554 -0.030 0.000 2.829 245 T HA 0.695 5.045 4.350 -0.000 0.000 0.280 245 T C -0.297 174.405 174.700 0.003 0.000 0.999 245 T CA -0.589 61.515 62.100 0.006 0.000 0.983 245 T CB 1.207 70.099 68.868 0.040 0.000 0.968 245 T HN 0.976 nan 8.240 nan 0.000 0.446 246 A N 2.768 125.594 122.820 0.010 0.000 2.302 246 A HA 0.520 4.840 4.320 -0.000 0.000 0.295 246 A C 1.094 178.688 177.584 0.016 0.000 1.235 246 A CA -0.474 51.566 52.037 0.006 0.000 0.876 246 A CB 0.119 19.123 19.000 0.008 0.000 1.133 246 A HN 0.747 nan 8.150 nan 0.000 0.533 247 V N 2.069 121.990 119.914 0.012 0.000 2.725 247 V HA 0.051 4.171 4.120 -0.000 0.000 0.247 247 V C 0.627 176.733 176.094 0.020 0.000 1.058 247 V CA 1.972 64.281 62.300 0.016 0.000 1.080 247 V CB -0.314 31.515 31.823 0.010 0.000 0.713 247 V HN 0.964 nan 8.190 nan 0.000 0.465 248 D N -2.421 117.990 120.400 0.019 0.000 2.661 248 D HA 0.280 4.920 4.640 -0.000 0.000 0.228 248 D C 0.561 176.890 176.300 0.048 0.000 1.183 248 D CA -0.581 53.439 54.000 0.033 0.000 0.844 248 D CB 1.639 42.455 40.800 0.028 0.000 1.555 248 D HN -0.013 nan 8.370 nan 0.000 0.453 249 I N 2.223 122.844 120.570 0.084 0.000 2.423 249 I HA -0.148 4.022 4.170 -0.000 0.000 0.254 249 I C 1.735 177.974 176.117 0.203 0.000 1.151 249 I CA 1.473 62.850 61.300 0.130 0.000 1.421 249 I CB 0.087 38.179 38.000 0.154 0.000 1.079 249 I HN 0.542 nan 8.210 nan 0.000 0.431 250 A N 0.256 123.174 122.820 0.162 0.000 2.070 250 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 250 A C 1.753 179.295 177.584 -0.070 0.000 1.159 250 A CA 1.849 53.904 52.037 0.030 0.000 0.656 250 A CB -0.581 18.376 19.000 -0.071 0.000 0.800 250 A HN 0.482 nan 8.150 nan 0.000 0.453 251 D N -0.032 120.347 120.400 -0.034 0.000 2.178 251 D HA -0.106 4.534 4.640 -0.000 0.000 0.201 251 D C 1.982 178.209 176.300 -0.123 0.000 0.980 251 D CA 1.295 55.251 54.000 -0.074 0.000 0.842 251 D CB -0.472 40.299 40.800 -0.048 0.000 0.948 251 D HN 0.267 nan 8.370 nan 0.000 0.472 252 V N 1.691 121.527 119.914 -0.129 0.000 2.324 252 V HA -0.291 3.829 4.120 -0.000 0.000 0.250 252 V C 2.622 178.422 176.094 -0.491 0.000 1.060 252 V CA 1.782 63.873 62.300 -0.348 0.000 1.042 252 V CB -0.955 30.625 31.823 -0.406 0.000 0.650 252 V HN 0.203 nan 8.190 nan 0.000 0.450 253 A N 0.028 122.694 122.820 -0.257 0.000 1.948 253 A HA -0.282 4.038 4.320 -0.000 0.000 0.220 253 A C 2.399 179.897 177.584 -0.144 0.000 1.177 253 A CA 2.133 54.041 52.037 -0.214 0.000 0.636 253 A CB -0.529 18.221 19.000 -0.417 0.000 0.815 253 A HN 0.549 nan 8.150 nan 0.000 0.449 254 R N -2.011 118.403 120.500 -0.143 0.000 2.081 254 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 254 R C 2.188 178.487 176.300 -0.001 0.000 1.131 254 R CA 1.635 57.705 56.100 -0.051 0.000 0.960 254 R CB -0.398 29.865 30.300 -0.062 0.000 0.856 254 R HN 0.560 nan 8.270 nan 0.000 0.436 255 M N 0.101 119.649 119.600 -0.086 0.000 2.175 255 M HA -0.078 4.402 4.480 -0.000 0.000 0.264 255 M C 1.494 177.853 176.300 0.098 0.000 1.063 255 M CA 1.551 56.831 55.300 -0.033 0.000 1.119 255 M CB -0.229 32.311 32.600 -0.100 0.000 1.377 255 M HN -0.052 nan 8.290 nan 0.000 0.415 256 F N -0.686 119.224 119.950 -0.067 0.000 2.134 256 F HA -0.168 4.359 4.527 -0.000 0.000 0.299 256 F C 2.620 178.417 175.800 -0.005 0.000 1.097 256 F CA 1.709 59.611 58.000 -0.164 0.000 1.264 256 F CB -1.766 36.816 39.000 -0.696 0.000 1.001 256 F HN 0.369 nan 8.300 nan 0.000 0.479 257 H N 0.204 119.343 119.070 0.116 0.000 2.387 257 H HA -0.140 4.416 4.556 -0.000 0.000 0.299 257 H C 2.133 177.513 175.328 0.085 0.000 1.099 257 H CA 1.792 57.891 56.048 0.085 0.000 1.315 257 H CB -0.162 29.618 29.762 0.030 0.000 1.380 257 H HN 0.011 nan 8.280 nan 0.000 0.513 258 I N 0.398 120.992 120.570 0.040 0.000 2.133 258 I HA -0.226 3.944 4.170 -0.000 0.000 0.238 258 I C 2.616 178.738 176.117 0.008 0.000 1.074 258 I CA 1.884 63.167 61.300 -0.028 0.000 1.342 258 I CB -1.715 36.298 38.000 0.022 0.000 1.053 258 I HN 0.519 nan 8.210 nan 0.000 0.404 259 T N -2.044 112.567 114.554 0.095 0.000 2.833 259 T HA -0.143 4.207 4.350 -0.000 0.000 0.269 259 T C 2.042 176.806 174.700 0.105 0.000 1.054 259 T CA 1.618 63.788 62.100 0.118 0.000 1.135 259 T CB -0.561 68.423 68.868 0.193 0.000 0.869 259 T HN 0.250 nan 8.240 nan 0.000 0.466 260 S N 0.642 116.417 115.700 0.126 0.000 2.436 260 S HA 0.042 4.512 4.470 -0.000 0.000 0.228 260 S C 1.748 176.366 174.600 0.031 0.000 1.014 260 S CA 0.362 58.633 58.200 0.119 0.000 0.950 260 S CB -0.187 63.154 63.200 0.234 0.000 0.784 260 S HN 0.363 nan 8.310 nan 0.000 0.504 261 K N 0.814 121.178 120.400 -0.059 0.000 2.402 261 K HA 0.426 4.746 4.320 -0.000 0.000 0.203 261 K C 0.254 176.804 176.600 -0.083 0.000 1.077 261 K CA 0.273 56.498 56.287 -0.103 0.000 1.051 261 K CB 0.367 32.716 32.500 -0.253 0.000 0.907 261 K HN 0.310 nan 8.250 nan 0.000 0.554 262 A N 2.102 124.884 122.820 -0.062 0.000 2.451 262 A HA 0.114 4.434 4.320 -0.000 0.000 0.266 262 A C 0.092 177.668 177.584 -0.014 0.000 1.119 262 A CA -0.064 51.950 52.037 -0.038 0.000 0.786 262 A CB -0.029 18.957 19.000 -0.024 0.000 1.061 262 A HN 0.192 nan 8.150 nan 0.000 0.503 263 Q N 1.534 121.326 119.800 -0.013 0.000 3.179 263 Q HA 0.364 4.704 4.340 -0.000 0.000 0.328 263 Q C -0.555 175.445 176.000 -0.001 0.000 1.336 263 Q CA 0.039 55.840 55.803 -0.003 0.000 0.939 263 Q CB 0.023 28.759 28.738 -0.004 0.000 1.658 263 Q HN 0.517 nan 8.270 nan 0.000 0.486 264 V N 0.250 120.164 119.914 0.000 0.000 3.098 264 V HA 0.338 4.458 4.120 -0.000 0.000 0.294 264 V C -2.804 173.286 176.094 -0.007 0.000 1.351 264 V CA -2.362 59.934 62.300 -0.007 0.000 0.999 264 V CB 2.643 34.458 31.823 -0.014 0.000 1.104 264 V HN 0.176 nan 8.190 nan 0.000 0.438 265 P HA 0.288 nan 4.420 nan 0.000 0.262 265 P C -1.019 176.239 177.300 -0.070 0.000 1.199 265 P CA 0.543 63.614 63.100 -0.049 0.000 0.763 265 P CB 0.245 31.824 31.700 -0.202 0.000 0.790 266 T N 4.656 119.224 114.554 0.024 0.000 2.841 266 T HA 0.498 4.848 4.350 -0.000 0.000 0.285 266 T C 0.066 174.828 174.700 0.102 0.000 0.991 266 T CA -0.376 61.743 62.100 0.033 0.000 0.966 266 T CB 0.736 69.627 68.868 0.039 0.000 0.962 266 T HN 0.167 nan 8.240 nan 0.000 0.438 267 I N 2.987 123.602 120.570 0.076 0.000 2.337 267 I HA 0.490 4.660 4.170 -0.000 0.000 0.285 267 I C 0.685 176.860 176.117 0.097 0.000 1.041 267 I CA -0.447 60.928 61.300 0.126 0.000 1.199 267 I CB 0.977 39.049 38.000 0.119 0.000 1.370 267 I HN 0.729 nan 8.210 nan 0.000 0.470 268 G N 7.560 116.434 108.800 0.122 0.000 2.557 268 G HA2 0.771 4.730 3.960 -0.000 0.000 0.310 268 G HA3 0.771 4.730 3.960 -0.000 0.000 0.310 268 G C -1.020 173.952 174.900 0.120 0.000 1.328 268 G CA -0.335 44.823 45.100 0.096 0.000 0.945 268 G HN 0.403 nan 8.290 nan 0.000 0.494 269 L N 1.601 122.869 121.223 0.075 0.000 2.409 269 L HA 0.613 4.953 4.340 -0.000 0.000 0.262 269 L C -0.691 176.192 176.870 0.022 0.000 0.992 269 L CA -1.254 53.635 54.840 0.081 0.000 0.817 269 L CB 2.786 44.914 42.059 0.114 0.000 1.350 269 L HN 0.231 nan 8.230 nan 0.000 0.411 270 V N 2.454 122.378 119.914 0.018 0.000 2.407 270 V HA 0.443 4.563 4.120 -0.000 0.000 0.291 270 V C 0.220 176.323 176.094 0.014 0.000 1.018 270 V CA -0.446 61.848 62.300 -0.009 0.000 0.842 270 V CB 1.566 33.362 31.823 -0.046 0.000 0.996 270 V HN 0.688 nan 8.190 nan 0.000 0.426 271 M N 3.108 122.718 119.600 0.016 0.000 2.202 271 M HA 0.686 5.166 4.480 -0.000 0.000 0.316 271 M C 0.863 177.188 176.300 0.042 0.000 1.138 271 M CA 0.544 55.867 55.300 0.038 0.000 1.151 271 M CB 0.915 33.549 32.600 0.057 0.000 1.422 271 M HN 0.908 nan 8.290 nan 0.000 0.471 272 G N 0.672 109.501 108.800 0.048 0.000 2.663 272 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.686 272 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.686 272 G C -0.018 174.909 174.900 0.044 0.000 1.246 272 G CA 0.005 45.132 45.100 0.044 0.000 0.795 272 G HN 0.952 nan 8.290 nan 0.000 0.627 273 E N -0.013 120.212 120.200 0.043 0.000 2.118 273 E HA -0.131 4.219 4.350 -0.000 0.000 0.195 273 E C 2.382 179.014 176.600 0.054 0.000 0.992 273 E CA 1.350 57.781 56.400 0.051 0.000 0.804 273 E CB -0.060 29.670 29.700 0.049 0.000 0.741 273 E HN 0.548 nan 8.360 nan 0.000 0.458 274 R N -0.822 119.705 120.500 0.045 0.000 2.328 274 R HA -0.030 4.310 4.340 -0.000 0.000 0.207 274 R C 1.847 178.168 176.300 0.035 0.000 1.056 274 R CA 0.760 56.886 56.100 0.043 0.000 1.016 274 R CB 0.081 30.404 30.300 0.038 0.000 0.872 274 R HN 0.189 nan 8.270 nan 0.000 0.471 275 G N -0.095 108.724 108.800 0.032 0.000 3.159 275 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.232 275 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.232 275 G C 1.086 176.009 174.900 0.038 0.000 1.116 275 G CA -0.338 44.771 45.100 0.016 0.000 0.767 275 G HN 0.112 nan 8.290 nan 0.000 0.547 276 L N 0.975 122.233 121.223 0.059 0.000 2.064 276 L HA -0.137 4.203 4.340 -0.000 0.000 0.216 276 L C 2.569 179.487 176.870 0.080 0.000 1.077 276 L CA 2.500 57.384 54.840 0.073 0.000 0.766 276 L CB -0.309 41.801 42.059 0.086 0.000 0.890 276 L HN 0.342 nan 8.230 nan 0.000 0.435 277 M N -1.130 118.526 119.600 0.093 0.000 2.202 277 M HA -0.222 4.258 4.480 -0.000 0.000 0.262 277 M C 2.243 178.716 176.300 0.287 0.000 1.063 277 M CA 2.123 57.520 55.300 0.162 0.000 1.097 277 M CB -0.204 32.494 32.600 0.164 0.000 1.382 277 M HN 0.590 nan 8.290 nan 0.000 0.413 278 S N -0.009 115.793 115.700 0.170 0.000 2.447 278 S HA -0.091 4.379 4.470 -0.000 0.000 0.233 278 S C 1.752 176.538 174.600 0.309 0.000 1.006 278 S CA 0.778 59.121 58.200 0.239 0.000 0.957 278 S CB -0.484 62.721 63.200 0.009 0.000 0.773 278 S HN 0.654 nan 8.310 nan 0.000 0.507 279 R N 0.059 120.685 120.500 0.210 0.000 2.246 279 R HA 0.366 4.706 4.340 -0.000 0.000 0.199 279 R C 1.714 178.148 176.300 0.223 0.000 0.984 279 R CA 0.906 57.122 56.100 0.193 0.000 1.015 279 R CB -0.212 30.165 30.300 0.129 0.000 0.930 279 R HN 0.482 nan 8.270 nan 0.000 0.475 280 I N 0.136 120.831 120.570 0.207 0.000 2.810 280 I HA -0.078 4.092 4.170 -0.000 0.000 0.262 280 I C 1.389 177.673 176.117 0.278 0.000 1.131 280 I CA 0.600 62.031 61.300 0.218 0.000 1.453 280 I CB 0.214 38.160 38.000 -0.090 0.000 1.161 280 I HN 0.006 nan 8.210 nan 0.000 0.444 281 L N 0.395 121.769 121.223 0.250 0.000 2.645 281 L HA 0.041 4.380 4.340 -0.000 0.000 0.234 281 L C 1.958 178.864 176.870 0.059 0.000 1.165 281 L CA -0.344 54.566 54.840 0.116 0.000 0.944 281 L CB -0.638 41.529 42.059 0.179 0.000 1.149 281 L HN 0.390 nan 8.230 nan 0.000 0.446 282 C N -0.551 118.856 119.300 0.177 0.000 2.398 282 C HA -0.205 4.255 4.460 -0.000 0.000 0.276 282 C C 2.930 177.898 174.990 -0.037 0.000 1.222 282 C CA 1.317 60.428 59.018 0.155 0.000 1.746 282 C CB -0.763 27.134 27.740 0.262 0.000 2.039 282 C HN 0.567 nan 8.230 nan 0.000 0.470 283 S N -0.121 115.443 115.700 -0.225 0.000 2.469 283 S HA -0.161 4.309 4.470 -0.000 0.000 0.238 283 S C 1.856 176.259 174.600 -0.328 0.000 0.998 283 S CA 1.198 59.214 58.200 -0.306 0.000 0.957 283 S CB -0.271 62.633 63.200 -0.495 0.000 0.764 283 S HN 0.736 nan 8.310 nan 0.000 0.514 284 K N 0.095 120.237 120.400 -0.430 0.000 2.211 284 K HA 0.103 4.423 4.320 -0.000 0.000 0.201 284 K C 0.042 176.152 176.600 -0.817 0.000 1.052 284 K CA 0.719 56.592 56.287 -0.689 0.000 0.973 284 K CB 0.071 31.986 32.500 -0.975 0.000 0.766 284 K HN 0.287 nan 8.250 nan 0.000 0.466 285 F N 0.420 120.196 119.950 -0.291 0.000 2.772 285 F HA 0.341 4.868 4.527 -0.000 0.000 0.302 285 F C 0.919 176.673 175.800 -0.076 0.000 1.136 285 F CA 0.024 57.891 58.000 -0.223 0.000 1.322 285 F CB 1.083 39.832 39.000 -0.419 0.000 0.967 285 F HN 0.220 nan 8.300 nan 0.000 0.513 286 G N 0.306 109.123 108.800 0.028 0.000 2.153 286 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.252 286 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.252 286 G C 0.737 175.696 174.900 0.100 0.000 0.994 286 G CA -0.122 45.009 45.100 0.051 0.000 0.698 286 G HN 0.786 nan 8.290 nan 0.000 0.521 287 G N -1.030 107.844 108.800 0.122 0.000 2.406 287 G HA2 0.409 4.369 3.960 -0.000 0.000 0.251 287 G HA3 0.409 4.369 3.960 -0.000 0.000 0.251 287 G C 0.469 175.457 174.900 0.147 0.000 1.271 287 G CA 0.370 45.567 45.100 0.163 0.000 0.859 287 G HN 0.588 nan 8.290 nan 0.000 0.540 288 Y N 2.536 122.864 120.300 0.047 0.000 2.395 288 Y HA 0.328 4.878 4.550 -0.000 0.000 0.293 288 Y C 0.743 176.646 175.900 0.005 0.000 1.123 288 Y CA 0.742 58.856 58.100 0.022 0.000 1.227 288 Y CB 0.218 38.685 38.460 0.012 0.000 1.012 288 Y HN 0.424 nan 8.280 nan 0.000 0.552 289 L N -1.015 120.266 121.223 0.097 0.000 2.710 289 L HA 0.467 4.807 4.340 -0.000 0.000 0.260 289 L C -1.516 175.352 176.870 -0.003 0.000 0.993 289 L CA -0.538 54.277 54.840 -0.041 0.000 0.877 289 L CB 2.121 44.132 42.059 -0.080 0.000 1.461 289 L HN -0.148 nan 8.230 nan 0.000 0.413 290 T N 1.064 115.553 114.554 -0.109 0.000 2.903 290 T HA 0.661 5.010 4.350 -0.000 0.000 0.299 290 T C -1.577 172.983 174.700 -0.233 0.000 1.093 290 T CA -0.252 61.822 62.100 -0.043 0.000 1.002 290 T CB 0.977 69.863 68.868 0.030 0.000 1.127 290 T HN 0.335 nan 8.240 nan 0.000 0.488 291 F N 1.626 121.550 119.950 -0.043 0.000 2.420 291 F HA 0.661 5.188 4.527 -0.000 0.000 0.342 291 F C 1.030 176.787 175.800 -0.072 0.000 1.113 291 F CA -0.299 57.667 58.000 -0.055 0.000 1.059 291 F CB 1.847 40.833 39.000 -0.023 0.000 1.128 291 F HN 0.657 nan 8.300 nan 0.000 0.475 292 G N 0.985 109.812 108.800 0.046 0.000 2.542 292 G HA2 0.553 4.513 3.960 -0.000 0.000 0.311 292 G HA3 0.553 4.513 3.960 -0.000 0.000 0.311 292 G C -0.799 174.119 174.900 0.029 0.000 1.298 292 G CA -0.817 44.286 45.100 0.004 0.000 0.973 292 G HN 0.621 nan 8.290 nan 0.000 0.487 293 T N -0.096 114.476 114.554 0.029 0.000 2.918 293 T HA 0.368 4.718 4.350 -0.000 0.000 0.283 293 T C 1.481 176.181 174.700 -0.000 0.000 1.001 293 T CA -0.767 61.341 62.100 0.014 0.000 1.041 293 T CB 1.397 70.270 68.868 0.008 0.000 1.028 293 T HN 0.218 nan 8.240 nan 0.000 0.511 294 L N 0.747 121.962 121.223 -0.013 0.000 2.217 294 L HA 0.193 4.533 4.340 -0.000 0.000 0.211 294 L C 0.460 177.324 176.870 -0.010 0.000 1.107 294 L CA 0.846 55.678 54.840 -0.014 0.000 0.783 294 L CB -0.565 41.481 42.059 -0.023 0.000 0.919 294 L HN 0.894 nan 8.230 nan 0.000 0.442 295 D N -5.268 115.124 120.400 -0.014 0.000 2.694 295 D HA 0.037 4.677 4.640 -0.000 0.000 0.260 295 D C 0.191 176.481 176.300 -0.017 0.000 1.250 295 D CA -0.437 53.556 54.000 -0.012 0.000 0.763 295 D CB 0.622 41.412 40.800 -0.017 0.000 1.311 295 D HN -0.306 nan 8.370 nan 0.000 0.420 296 S N -0.595 115.096 115.700 -0.015 0.000 2.488 296 S HA -0.137 4.332 4.470 -0.000 0.000 0.246 296 S C 1.503 176.082 174.600 -0.034 0.000 0.992 296 S CA 1.463 59.651 58.200 -0.021 0.000 0.963 296 S CB -0.492 62.691 63.200 -0.028 0.000 0.754 296 S HN 0.627 nan 8.310 nan 0.000 0.519 297 S N 0.322 115.996 115.700 -0.043 0.000 2.511 297 S HA 0.224 4.694 4.470 -0.000 0.000 0.214 297 S C 0.585 175.135 174.600 -0.082 0.000 0.997 297 S CA -0.386 57.780 58.200 -0.058 0.000 0.908 297 S CB -0.057 63.111 63.200 -0.054 0.000 0.803 297 S HN 0.305 nan 8.310 nan 0.000 0.504 298 K N 2.264 122.615 120.400 -0.082 0.000 3.000 298 K HA 0.412 4.732 4.320 -0.000 0.000 0.239 298 K C -1.171 175.365 176.600 -0.107 0.000 1.269 298 K CA -0.206 56.009 56.287 -0.119 0.000 1.220 298 K CB 0.863 33.299 32.500 -0.108 0.000 1.645 298 K HN 0.154 nan 8.250 nan 0.000 0.423 299 V N 1.671 121.525 119.914 -0.100 0.000 2.439 299 V HA 0.028 4.148 4.120 -0.000 0.000 0.282 299 V C 1.158 177.194 176.094 -0.097 0.000 1.039 299 V CA -0.143 62.114 62.300 -0.072 0.000 0.913 299 V CB 1.569 33.367 31.823 -0.041 0.000 0.983 299 V HN 0.564 nan 8.190 nan 0.000 0.460 300 S N 2.588 118.235 115.700 -0.088 0.000 2.524 300 S HA 0.589 5.059 4.470 -0.000 0.000 0.215 300 S C 0.420 174.999 174.600 -0.035 0.000 0.986 300 S CA 0.322 58.475 58.200 -0.079 0.000 0.911 300 S CB 0.463 63.597 63.200 -0.110 0.000 0.805 300 S HN 1.229 nan 8.310 nan 0.000 0.501 301 A N 1.195 123.995 122.820 -0.033 0.000 2.594 301 A HA 0.717 5.037 4.320 -0.000 0.000 0.296 301 A C -3.363 174.231 177.584 0.017 0.000 1.061 301 A CA -1.559 50.483 52.037 0.009 0.000 0.689 301 A CB 0.415 19.415 19.000 -0.001 0.000 1.280 301 A HN 0.116 nan 8.150 nan 0.000 0.406 302 P HA 0.326 nan 4.420 nan 0.000 0.262 302 P C 1.142 178.466 177.300 0.040 0.000 1.182 302 P CA 2.238 65.359 63.100 0.035 0.000 0.761 302 P CB 0.664 32.391 31.700 0.045 0.000 0.795 303 G N 1.792 110.616 108.800 0.040 0.000 2.234 303 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.235 303 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.235 303 G C 0.082 175.024 174.900 0.069 0.000 0.997 303 G CA -0.430 44.703 45.100 0.056 0.000 0.623 303 G HN 0.580 nan 8.290 nan 0.000 0.514 304 Q N 2.103 121.939 119.800 0.059 0.000 2.263 304 Q HA 0.354 4.694 4.340 -0.000 0.000 0.289 304 Q C -1.797 174.255 176.000 0.087 0.000 1.061 304 Q CA -0.510 55.338 55.803 0.075 0.000 0.927 304 Q CB 1.056 29.830 28.738 0.060 0.000 1.154 304 Q HN 0.454 nan 8.270 nan 0.000 0.378 305 P HA 0.113 nan 4.420 nan 0.000 0.284 305 P C -0.600 176.769 177.300 0.115 0.000 1.292 305 P CA -0.480 62.717 63.100 0.163 0.000 0.800 305 P CB 0.821 32.670 31.700 0.249 0.000 1.188 306 T N -2.865 111.764 114.554 0.125 0.000 2.899 306 T HA 0.343 4.693 4.350 -0.000 0.000 0.284 306 T C 1.637 176.370 174.700 0.054 0.000 1.004 306 T CA -0.652 61.491 62.100 0.072 0.000 1.043 306 T CB 0.104 69.011 68.868 0.065 0.000 1.013 306 T HN 0.222 nan 8.240 nan 0.000 0.518 307 I N 0.636 121.213 120.570 0.012 0.000 2.226 307 I HA -0.119 4.051 4.170 -0.000 0.000 0.245 307 I C 2.832 178.951 176.117 0.003 0.000 1.100 307 I CA 1.408 62.693 61.300 -0.025 0.000 1.374 307 I CB -0.395 37.582 38.000 -0.037 0.000 1.057 307 I HN 0.807 nan 8.210 nan 0.000 0.413 308 K N 1.014 121.428 120.400 0.023 0.000 2.032 308 K HA -0.250 4.070 4.320 -0.000 0.000 0.209 308 K C 1.653 178.280 176.600 0.044 0.000 1.048 308 K CA 2.163 58.470 56.287 0.032 0.000 0.927 308 K CB -0.078 32.445 32.500 0.038 0.000 0.712 308 K HN 0.217 nan 8.250 nan 0.000 0.441 309 D N 0.857 121.300 120.400 0.072 0.000 2.144 309 D HA -0.128 4.512 4.640 -0.000 0.000 0.200 309 D C 2.021 178.401 176.300 0.133 0.000 0.978 309 D CA 0.797 54.834 54.000 0.061 0.000 0.833 309 D CB -0.147 40.740 40.800 0.145 0.000 0.961 309 D HN 0.215 nan 8.370 nan 0.000 0.470 310 L N 0.145 121.487 121.223 0.200 0.000 1.989 310 L HA -0.183 4.157 4.340 -0.000 0.000 0.211 310 L C 2.518 179.523 176.870 0.224 0.000 1.071 310 L CA 0.958 55.938 54.840 0.235 0.000 0.749 310 L CB -0.349 41.648 42.059 -0.103 0.000 0.890 310 L HN 0.074 nan 8.230 nan 0.000 0.431 311 L N -0.870 120.419 121.223 0.109 0.000 2.044 311 L HA -0.177 4.163 4.340 -0.000 0.000 0.205 311 L C 2.068 178.985 176.870 0.078 0.000 1.075 311 L CA 1.150 56.057 54.840 0.112 0.000 0.747 311 L CB -0.444 41.647 42.059 0.054 0.000 0.903 311 L HN 0.306 nan 8.230 nan 0.000 0.435 312 D N -0.788 119.628 120.400 0.027 0.000 2.324 312 D HA -0.026 4.614 4.640 -0.000 0.000 0.212 312 D C 2.139 178.372 176.300 -0.112 0.000 0.984 312 D CA 0.575 54.553 54.000 -0.038 0.000 0.885 312 D CB 0.396 41.173 40.800 -0.038 0.000 0.996 312 D HN 0.205 nan 8.370 nan 0.000 0.505 313 L N -0.490 120.647 121.223 -0.143 0.000 2.102 313 L HA -0.038 4.302 4.340 -0.000 0.000 0.202 313 L C 1.497 178.202 176.870 -0.274 0.000 1.076 313 L CA 0.918 55.568 54.840 -0.317 0.000 0.761 313 L CB 0.014 41.757 42.059 -0.526 0.000 0.921 313 L HN -0.029 nan 8.230 nan 0.000 0.444 314 Y N -0.072 120.265 120.300 0.062 0.000 2.466 314 Y HA 0.161 4.711 4.550 -0.000 0.000 0.272 314 Y C 0.474 176.453 175.900 0.132 0.000 1.169 314 Y CA -0.211 57.958 58.100 0.116 0.000 1.285 314 Y CB -0.288 38.281 38.460 0.181 0.000 1.078 314 Y HN 0.290 nan 8.280 nan 0.000 0.523 315 N N -0.014 118.811 118.700 0.208 0.000 2.714 315 N HA -0.302 4.438 4.740 -0.000 0.000 0.252 315 N C 0.690 176.314 175.510 0.190 0.000 1.014 315 N CA 0.258 53.401 53.050 0.156 0.000 0.735 315 N CB -1.353 37.203 38.487 0.114 0.000 0.924 315 N HN 0.353 nan 8.380 nan 0.000 0.540 316 F N 1.261 121.268 119.950 0.094 0.000 2.087 316 F HA -0.256 4.271 4.527 -0.000 0.000 0.299 316 F C 2.335 178.143 175.800 0.013 0.000 1.100 316 F CA 1.622 59.658 58.000 0.062 0.000 1.226 316 F CB 0.111 39.148 39.000 0.062 0.000 0.983 316 F HN 0.183 nan 8.300 nan 0.000 0.479 317 R N 0.322 120.888 120.500 0.109 0.000 2.193 317 R HA -0.083 4.257 4.340 -0.000 0.000 0.229 317 R C 2.034 178.280 176.300 -0.090 0.000 1.110 317 R CA 1.089 57.182 56.100 -0.011 0.000 0.988 317 R CB -0.783 29.544 30.300 0.044 0.000 0.871 317 R HN 0.406 nan 8.270 nan 0.000 0.458 318 R N -0.050 120.409 120.500 -0.068 0.000 2.276 318 R HA 0.240 4.580 4.340 -0.000 0.000 0.196 318 R C 0.500 176.719 176.300 -0.135 0.000 0.961 318 R CA -0.011 56.043 56.100 -0.077 0.000 1.024 318 R CB 0.200 30.489 30.300 -0.019 0.000 0.940 318 R HN 0.088 nan 8.270 nan 0.000 0.480 319 I N 1.015 121.462 120.570 -0.204 0.000 2.496 319 I HA 0.155 4.325 4.170 -0.000 0.000 0.285 319 I C 0.785 176.719 176.117 -0.306 0.000 1.080 319 I CA 0.018 61.161 61.300 -0.261 0.000 1.404 319 I CB 1.164 38.965 38.000 -0.332 0.000 1.403 319 I HN 0.081 nan 8.210 nan 0.000 0.539 320 G N 5.667 114.290 108.800 -0.295 0.000 2.866 320 G HA2 0.443 4.403 3.960 -0.000 0.000 0.289 320 G HA3 0.443 4.403 3.960 -0.000 0.000 0.289 320 G C -2.587 172.105 174.900 -0.347 0.000 1.396 320 G CA -0.833 44.092 45.100 -0.292 0.000 0.848 320 G HN 0.260 nan 8.290 nan 0.000 0.515 321 P HA -0.028 nan 4.420 nan 0.000 0.218 321 P C 0.752 177.850 177.300 -0.337 0.000 1.148 321 P CA 1.163 64.056 63.100 -0.344 0.000 0.822 321 P CB 0.313 31.871 31.700 -0.237 0.000 0.784 322 D N -2.275 117.958 120.400 -0.278 0.000 2.350 322 D HA 0.019 4.659 4.640 -0.000 0.000 0.213 322 D C 0.277 176.398 176.300 -0.298 0.000 1.031 322 D CA 0.561 54.405 54.000 -0.260 0.000 0.861 322 D CB -0.420 40.254 40.800 -0.210 0.000 0.926 322 D HN 0.139 nan 8.370 nan 0.000 0.520 323 T N 1.977 116.337 114.554 -0.323 0.000 2.928 323 T HA 0.045 4.394 4.350 -0.000 0.000 0.305 323 T C 0.649 175.141 174.700 -0.348 0.000 1.035 323 T CA 0.223 62.132 62.100 -0.319 0.000 1.145 323 T CB 1.073 69.773 68.868 -0.280 0.000 0.963 323 T HN -0.070 nan 8.240 nan 0.000 0.545 324 K N 1.988 122.197 120.400 -0.317 0.000 2.174 324 K HA 0.512 4.832 4.320 -0.000 0.000 0.275 324 K C -0.547 175.828 176.600 -0.374 0.000 1.015 324 K CA -0.732 55.335 56.287 -0.368 0.000 0.933 324 K CB 1.202 33.532 32.500 -0.283 0.000 1.025 324 K HN 0.274 nan 8.250 nan 0.000 0.463 325 V N 3.443 122.977 119.914 -0.633 0.000 2.483 325 V HA 0.386 4.506 4.120 -0.000 0.000 0.295 325 V C -0.872 174.753 176.094 -0.782 0.000 1.035 325 V CA -0.709 61.285 62.300 -0.510 0.000 0.896 325 V CB 0.438 31.924 31.823 -0.561 0.000 0.986 325 V HN 0.610 nan 8.190 nan 0.000 0.447 326 Y N 1.317 121.486 120.300 -0.218 0.000 2.634 326 Y HA 0.902 5.452 4.550 -0.000 0.000 0.340 326 Y C 0.541 176.094 175.900 -0.579 0.000 1.058 326 Y CA -0.570 57.251 58.100 -0.464 0.000 1.081 326 Y CB 2.678 40.850 38.460 -0.480 0.000 1.295 326 Y HN 0.853 nan 8.280 nan 0.000 0.487 327 G N 0.291 108.715 108.800 -0.626 0.000 2.547 327 G HA2 0.437 4.397 3.960 -0.000 0.000 0.291 327 G HA3 0.437 4.397 3.960 -0.000 0.000 0.291 327 G C -2.514 172.196 174.900 -0.317 0.000 1.471 327 G CA -0.829 43.848 45.100 -0.706 0.000 0.798 327 G HN 0.503 nan 8.290 nan 0.000 0.504 328 I N 0.901 121.433 120.570 -0.063 0.000 2.325 328 I HA 0.575 4.744 4.170 -0.000 0.000 0.291 328 I C -0.196 175.988 176.117 0.112 0.000 1.019 328 I CA -1.241 60.194 61.300 0.225 0.000 1.302 328 I CB 0.414 38.626 38.000 0.353 0.000 1.401 328 I HN 0.352 nan 8.210 nan 0.000 0.485 329 I N 8.131 128.757 120.570 0.092 0.000 2.342 329 I HA 0.709 4.879 4.170 -0.000 0.000 0.291 329 I C 0.667 176.868 176.117 0.139 0.000 1.010 329 I CA -0.012 61.258 61.300 -0.050 0.000 1.308 329 I CB 0.807 38.685 38.000 -0.204 0.000 1.400 329 I HN 0.816 nan 8.210 nan 0.000 0.488 330 G N 5.295 114.192 108.800 0.162 0.000 2.342 330 G HA2 0.434 4.394 3.960 -0.000 0.000 0.297 330 G HA3 0.434 4.394 3.960 -0.000 0.000 0.297 330 G C -1.797 173.213 174.900 0.184 0.000 1.313 330 G CA -0.697 44.551 45.100 0.246 0.000 0.830 330 G HN 0.498 nan 8.290 nan 0.000 0.506 331 K N 1.092 121.564 120.400 0.119 0.000 2.670 331 K HA 0.374 4.694 4.320 -0.000 0.000 0.274 331 K C -2.682 173.961 176.600 0.072 0.000 1.068 331 K CA -1.088 55.259 56.287 0.099 0.000 0.967 331 K CB 2.367 34.916 32.500 0.082 0.000 1.297 331 K HN 0.493 nan 8.250 nan 0.000 0.477 332 P HA 0.088 nan 4.420 nan 0.000 0.277 332 P C -0.113 177.364 177.300 0.296 0.000 1.276 332 P CA -0.476 62.736 63.100 0.187 0.000 0.788 332 P CB 1.531 33.344 31.700 0.189 0.000 1.114 333 V N -0.754 119.325 119.914 0.274 0.000 3.356 333 V HA -0.072 4.048 4.120 -0.000 0.000 0.274 333 V C 2.107 178.294 176.094 0.156 0.000 1.631 333 V CA 1.125 63.547 62.300 0.204 0.000 1.025 333 V CB -0.404 31.550 31.823 0.217 0.000 0.840 333 V HN 0.720 nan 8.190 nan 0.000 0.419 334 S N 0.652 116.472 115.700 0.200 0.000 2.440 334 S HA -0.265 4.205 4.470 -0.000 0.000 0.238 334 S C 1.812 176.505 174.600 0.155 0.000 1.010 334 S CA 1.761 60.051 58.200 0.151 0.000 0.972 334 S CB -0.712 62.637 63.200 0.248 0.000 0.774 334 S HN 0.922 nan 8.310 nan 0.000 0.501 335 H N 0.413 119.547 119.070 0.107 0.000 2.512 335 H HA 0.284 4.840 4.556 -0.000 0.000 0.279 335 H C 0.931 176.308 175.328 0.082 0.000 0.999 335 H CA 0.671 56.673 56.048 -0.078 0.000 1.283 335 H CB -0.924 28.711 29.762 -0.211 0.000 1.421 335 H HN 0.425 nan 8.280 nan 0.000 0.554 336 S N 1.039 116.441 115.700 -0.497 0.000 2.552 336 S HA 0.009 4.479 4.470 -0.000 0.000 0.289 336 S C 0.820 175.515 174.600 0.158 0.000 1.304 336 S CA -0.267 57.869 58.200 -0.106 0.000 1.063 336 S CB 0.455 63.643 63.200 -0.020 0.000 0.848 336 S HN 0.556 nan 8.310 nan 0.000 0.499 337 K N 3.025 123.527 120.400 0.169 0.000 2.399 337 K HA 0.167 4.487 4.320 -0.000 0.000 0.204 337 K C 1.644 178.306 176.600 0.103 0.000 1.023 337 K CA -0.068 56.278 56.287 0.099 0.000 1.127 337 K CB 0.262 32.832 32.500 0.117 0.000 0.856 337 K HN 0.470 nan 8.250 nan 0.000 0.514 338 S N 1.884 117.697 115.700 0.187 0.000 2.382 338 S HA -0.060 4.410 4.470 -0.000 0.000 0.228 338 S C -1.092 173.263 174.600 -0.408 0.000 1.027 338 S CA 1.144 59.339 58.200 -0.009 0.000 0.991 338 S CB -0.532 62.777 63.200 0.181 0.000 0.823 338 S HN 0.194 nan 8.310 nan 0.000 0.469 339 P HA 0.003 nan 4.420 nan 0.000 0.218 339 P C 1.211 178.339 177.300 -0.287 0.000 1.149 339 P CA 0.821 63.818 63.100 -0.172 0.000 0.817 339 P CB -0.020 31.568 31.700 -0.187 0.000 0.785 340 I N -0.671 119.711 120.570 -0.314 0.000 2.133 340 I HA -0.202 3.968 4.170 -0.000 0.000 0.238 340 I C 2.347 178.278 176.117 -0.309 0.000 1.074 340 I CA 1.480 62.610 61.300 -0.283 0.000 1.342 340 I CB -0.898 37.005 38.000 -0.160 0.000 1.053 340 I HN -0.112 nan 8.210 nan 0.000 0.404 341 V N -0.964 118.751 119.914 -0.332 0.000 2.261 341 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 341 V C 2.482 178.199 176.094 -0.629 0.000 1.047 341 V CA 1.751 63.768 62.300 -0.472 0.000 1.015 341 V CB -1.305 30.265 31.823 -0.421 0.000 0.642 341 V HN 0.361 nan 8.190 nan 0.000 0.446 342 H N 1.072 119.844 119.070 -0.497 0.000 2.387 342 H HA -0.055 4.501 4.556 -0.000 0.000 0.299 342 H C 2.425 177.254 175.328 -0.832 0.000 1.090 342 H CA 1.871 57.495 56.048 -0.707 0.000 1.332 342 H CB -0.514 28.653 29.762 -0.992 0.000 1.386 342 H HN 0.493 nan 8.280 nan 0.000 0.516 343 N N 0.882 119.340 118.700 -0.403 0.000 2.188 343 N HA -0.119 4.621 4.740 -0.000 0.000 0.184 343 N C 1.984 177.403 175.510 -0.151 0.000 1.018 343 N CA 0.608 53.549 53.050 -0.181 0.000 0.858 343 N CB -0.009 38.446 38.487 -0.054 0.000 0.989 343 N HN 0.410 nan 8.380 nan 0.000 0.426 344 Q N 0.904 120.538 119.800 -0.277 0.000 2.050 344 Q HA -0.001 4.338 4.340 -0.000 0.000 0.202 344 Q C 2.115 177.991 176.000 -0.208 0.000 0.980 344 Q CA 1.210 56.846 55.803 -0.278 0.000 0.840 344 Q CB -0.541 27.971 28.738 -0.377 0.000 0.898 344 Q HN 0.345 nan 8.270 nan 0.000 0.424 345 A N 0.489 123.113 122.820 -0.326 0.000 1.883 345 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 345 A C 2.072 179.776 177.584 0.199 0.000 1.186 345 A CA 1.223 53.109 52.037 -0.252 0.000 0.624 345 A CB -1.086 17.616 19.000 -0.496 0.000 0.822 345 A HN 0.373 nan 8.150 nan 0.000 0.444 346 F N -0.235 119.820 119.950 0.175 0.000 2.095 346 F HA -0.243 4.284 4.527 -0.000 0.000 0.298 346 F C 2.542 178.455 175.800 0.188 0.000 1.104 346 F CA 1.617 59.787 58.000 0.284 0.000 1.232 346 F CB -0.107 39.066 39.000 0.288 0.000 0.987 346 F HN 0.249 nan 8.300 nan 0.000 0.475 347 K N 0.486 121.058 120.400 0.287 0.000 2.025 347 K HA -0.145 4.175 4.320 -0.000 0.000 0.207 347 K C 2.142 178.806 176.600 0.106 0.000 1.049 347 K CA 1.551 57.927 56.287 0.149 0.000 0.933 347 K CB -0.146 32.391 32.500 0.061 0.000 0.714 347 K HN 0.007 nan 8.250 nan 0.000 0.438 348 S N 0.458 116.199 115.700 0.068 0.000 2.387 348 S HA -0.146 4.324 4.470 -0.000 0.000 0.230 348 S C 1.699 176.346 174.600 0.078 0.000 1.035 348 S CA 1.579 59.800 58.200 0.037 0.000 1.014 348 S CB -0.164 63.018 63.200 -0.030 0.000 0.836 348 S HN 0.450 nan 8.310 nan 0.000 0.466 349 V N -0.805 119.201 119.914 0.153 0.000 3.596 349 V HA 0.333 4.453 4.120 -0.000 0.000 0.289 349 V C 0.254 176.459 176.094 0.185 0.000 1.336 349 V CA 0.580 62.989 62.300 0.182 0.000 1.137 349 V CB -0.774 31.219 31.823 0.284 0.000 0.966 349 V HN 0.346 nan 8.190 nan 0.000 0.428 350 D N 0.101 120.600 120.400 0.165 0.000 2.689 350 D HA -0.278 4.362 4.640 -0.000 0.000 0.237 350 D C -0.541 175.828 176.300 0.116 0.000 1.148 350 D CA 0.718 54.786 54.000 0.113 0.000 0.656 350 D CB -1.693 39.142 40.800 0.058 0.000 1.050 350 D HN 0.747 nan 8.370 nan 0.000 0.426 351 F N 1.027 120.989 119.950 0.019 0.000 2.411 351 F HA 0.409 4.936 4.527 -0.000 0.000 0.350 351 F C 0.653 176.350 175.800 -0.171 0.000 1.114 351 F CA -1.132 56.805 58.000 -0.105 0.000 1.135 351 F CB 0.711 39.599 39.000 -0.187 0.000 1.120 351 F HN -0.070 nan 8.300 nan 0.000 0.495 352 N N 4.257 122.430 118.700 -0.877 0.000 3.103 352 N HA 0.268 5.008 4.740 -0.000 0.000 0.305 352 N C -0.392 174.703 175.510 -0.692 0.000 1.232 352 N CA 0.189 52.860 53.050 -0.631 0.000 1.190 352 N CB -0.284 37.907 38.487 -0.494 0.000 1.461 352 N HN 0.816 nan 8.380 nan 0.000 0.538 353 G N -0.874 107.665 108.800 -0.436 0.000 2.694 353 G HA2 0.643 4.603 3.960 -0.000 0.000 0.290 353 G HA3 0.643 4.603 3.960 -0.000 0.000 0.290 353 G C -1.672 173.392 174.900 0.273 0.000 1.386 353 G CA -0.478 44.544 45.100 -0.130 0.000 0.872 353 G HN 0.214 nan 8.290 nan 0.000 0.475 354 V N -0.141 120.046 119.914 0.454 0.000 2.888 354 V HA 0.747 4.866 4.120 -0.000 0.000 0.309 354 V C -2.050 174.387 176.094 0.571 0.000 1.114 354 V CA -0.903 61.685 62.300 0.480 0.000 0.940 354 V CB 2.023 33.969 31.823 0.206 0.000 1.021 354 V HN 0.820 nan 8.190 nan 0.000 0.426 355 Y N 5.603 126.118 120.300 0.358 0.000 2.350 355 Y HA 0.755 5.305 4.550 -0.000 0.000 0.338 355 Y C -0.258 175.780 175.900 0.231 0.000 0.961 355 Y CA -0.198 58.057 58.100 0.258 0.000 1.100 355 Y CB 1.891 40.413 38.460 0.103 0.000 1.179 355 Y HN 0.694 nan 8.280 nan 0.000 0.454 356 V N 1.322 121.318 119.914 0.137 0.000 3.158 356 V HA 0.598 4.718 4.120 -0.000 0.000 0.311 356 V C -1.132 175.024 176.094 0.103 0.000 1.181 356 V CA -1.146 61.274 62.300 0.201 0.000 1.054 356 V CB 1.697 33.596 31.823 0.126 0.000 1.085 356 V HN 0.792 nan 8.190 nan 0.000 0.446 357 H N 1.060 120.250 119.070 0.200 0.000 2.610 357 H HA 0.704 5.260 4.556 -0.000 0.000 0.336 357 H C -0.557 174.815 175.328 0.075 0.000 1.087 357 H CA -0.049 56.096 56.048 0.161 0.000 1.405 357 H CB 1.076 30.950 29.762 0.188 0.000 1.460 357 H HN 0.583 nan 8.280 nan 0.000 0.538 358 L N 4.303 125.596 121.223 0.116 0.000 2.366 358 L HA 0.181 4.521 4.340 -0.000 0.000 0.266 358 L C -0.880 175.936 176.870 -0.090 0.000 1.010 358 L CA -0.780 54.026 54.840 -0.056 0.000 0.879 358 L CB 0.978 42.887 42.059 -0.250 0.000 1.228 358 L HN 0.337 nan 8.230 nan 0.000 0.439 359 L N 5.026 126.239 121.223 -0.018 0.000 2.363 359 L HA 0.319 4.659 4.340 -0.000 0.000 0.286 359 L C -0.382 176.450 176.870 -0.064 0.000 1.106 359 L CA 0.254 55.098 54.840 0.007 0.000 0.859 359 L CB 0.820 42.912 42.059 0.055 0.000 1.223 359 L HN 0.222 nan 8.230 nan 0.000 0.446 360 V N 6.099 125.951 119.914 -0.103 0.000 2.370 360 V HA 0.313 4.433 4.120 -0.000 0.000 0.283 360 V C 0.537 176.658 176.094 0.044 0.000 1.023 360 V CA -0.486 61.717 62.300 -0.163 0.000 0.857 360 V CB 1.310 32.811 31.823 -0.535 0.000 0.985 360 V HN 0.688 nan 8.190 nan 0.000 0.443 361 D N 2.416 122.840 120.400 0.041 0.000 2.201 361 D HA 0.002 4.642 4.640 -0.000 0.000 0.209 361 D C 0.674 177.036 176.300 0.103 0.000 0.961 361 D CA 0.905 54.958 54.000 0.088 0.000 0.861 361 D CB 0.415 41.250 40.800 0.058 0.000 0.997 361 D HN 0.504 nan 8.370 nan 0.000 0.486 362 N N 1.573 120.300 118.700 0.044 0.000 2.524 362 N HA 0.016 4.756 4.740 -0.000 0.000 0.261 362 N C 0.744 176.239 175.510 -0.025 0.000 0.998 362 N CA -0.262 52.808 53.050 0.033 0.000 0.915 362 N CB 1.803 40.311 38.487 0.035 0.000 1.187 362 N HN -0.066 nan 8.380 nan 0.000 0.507 363 L N 4.404 125.556 121.223 -0.118 0.000 2.046 363 L HA -0.089 4.250 4.340 -0.000 0.000 0.208 363 L C 1.567 178.430 176.870 -0.012 0.000 1.077 363 L CA 1.694 56.424 54.840 -0.183 0.000 0.747 363 L CB -0.492 41.408 42.059 -0.266 0.000 0.896 363 L HN 0.374 nan 8.230 nan 0.000 0.432 364 V N 0.527 120.440 119.914 -0.002 0.000 2.287 364 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 364 V C 2.917 179.003 176.094 -0.014 0.000 1.053 364 V CA 1.922 64.221 62.300 -0.001 0.000 1.027 364 V CB -1.041 30.783 31.823 0.001 0.000 0.646 364 V HN 0.682 nan 8.190 nan 0.000 0.447 365 S N -0.053 115.644 115.700 -0.006 0.000 2.402 365 S HA -0.195 4.275 4.470 -0.000 0.000 0.229 365 S C 1.936 176.506 174.600 -0.050 0.000 1.021 365 S CA 1.424 59.603 58.200 -0.034 0.000 0.974 365 S CB -0.757 62.431 63.200 -0.020 0.000 0.800 365 S HN 0.522 nan 8.310 nan 0.000 0.484 366 F N 2.835 122.716 119.950 -0.114 0.000 2.075 366 F HA 0.066 4.593 4.527 -0.000 0.000 0.297 366 F C 1.938 177.676 175.800 -0.103 0.000 1.113 366 F CA 1.366 59.305 58.000 -0.101 0.000 1.218 366 F CB -0.547 38.352 39.000 -0.168 0.000 0.984 366 F HN 0.129 nan 8.300 nan 0.000 0.472 367 L N -0.032 121.069 121.223 -0.203 0.000 2.127 367 L HA -0.250 4.090 4.340 -0.000 0.000 0.211 367 L C 2.464 179.187 176.870 -0.245 0.000 1.089 367 L CA 1.433 56.122 54.840 -0.251 0.000 0.757 367 L CB -0.838 41.193 42.059 -0.047 0.000 0.899 367 L HN 0.328 nan 8.230 nan 0.000 0.434 368 Q N -0.358 119.315 119.800 -0.212 0.000 2.083 368 Q HA -0.106 4.234 4.340 -0.000 0.000 0.198 368 Q C 2.443 178.254 176.000 -0.315 0.000 0.969 368 Q CA 1.351 57.035 55.803 -0.198 0.000 0.838 368 Q CB -0.178 28.473 28.738 -0.144 0.000 0.900 368 Q HN 0.548 nan 8.270 nan 0.000 0.436 369 A N -0.064 122.483 122.820 -0.455 0.000 2.067 369 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 369 A C 0.209 177.117 177.584 -1.127 0.000 1.158 369 A CA 0.894 52.490 52.037 -0.736 0.000 0.661 369 A CB -0.062 18.461 19.000 -0.796 0.000 0.801 369 A HN 0.378 nan 8.150 nan 0.000 0.452 370 Y N -0.303 119.619 120.300 -0.630 0.000 2.511 370 Y HA 0.269 4.819 4.550 -0.000 0.000 0.356 370 Y C 1.203 176.899 175.900 -0.341 0.000 1.002 370 Y CA -0.030 57.639 58.100 -0.718 0.000 1.127 370 Y CB 0.840 38.511 38.460 -1.315 0.000 1.137 370 Y HN 0.254 nan 8.280 nan 0.000 0.652 371 S N -1.821 113.825 115.700 -0.091 0.000 2.524 371 S HA 0.050 4.520 4.470 -0.000 0.000 0.215 371 S C 0.871 175.533 174.600 0.103 0.000 0.986 371 S CA -0.035 58.179 58.200 0.024 0.000 0.911 371 S CB -0.156 63.027 63.200 -0.028 0.000 0.805 371 S HN 0.393 nan 8.310 nan 0.000 0.501 372 S N 2.320 118.114 115.700 0.158 0.000 2.580 372 S HA 0.175 4.645 4.470 -0.000 0.000 0.266 372 S C 1.304 176.023 174.600 0.199 0.000 1.354 372 S CA 0.042 58.353 58.200 0.185 0.000 1.008 372 S CB 0.685 64.033 63.200 0.247 0.000 0.898 372 S HN 0.592 nan 8.310 nan 0.000 0.555 373 S N 0.006 115.764 115.700 0.098 0.000 2.500 373 S HA -0.114 4.355 4.470 -0.000 0.000 0.239 373 S C 0.885 175.454 174.600 -0.050 0.000 0.989 373 S CA 0.895 59.108 58.200 0.023 0.000 0.951 373 S CB -0.614 62.579 63.200 -0.011 0.000 0.759 373 S HN 0.747 nan 8.310 nan 0.000 0.523 374 D N 1.056 121.444 120.400 -0.019 0.000 2.219 374 D HA 0.032 4.672 4.640 -0.000 0.000 0.205 374 D C -0.367 175.542 176.300 -0.653 0.000 0.970 374 D CA 0.767 54.584 54.000 -0.305 0.000 0.851 374 D CB -0.185 40.466 40.800 -0.249 0.000 0.943 374 D HN 0.537 nan 8.370 nan 0.000 0.488 375 F N -0.132 119.754 119.950 -0.107 0.000 2.307 375 F HA 0.433 4.960 4.527 -0.000 0.000 0.369 375 F C 1.107 176.651 175.800 -0.425 0.000 1.076 375 F CA -0.759 57.092 58.000 -0.248 0.000 1.149 375 F CB 1.337 40.369 39.000 0.053 0.000 1.410 375 F HN -0.219 nan 8.300 nan 0.000 0.481 376 A N 2.185 124.635 122.820 -0.618 0.000 2.067 376 A HA 0.543 4.863 4.320 -0.000 0.000 0.217 376 A C 1.161 178.491 177.584 -0.425 0.000 1.156 376 A CA 0.899 52.642 52.037 -0.491 0.000 0.683 376 A CB -0.244 18.488 19.000 -0.446 0.000 0.808 376 A HN 0.768 nan 8.150 nan 0.000 0.455 377 G N -2.242 106.059 108.800 -0.832 0.000 2.547 377 G HA2 0.526 4.486 3.960 -0.000 0.000 0.291 377 G HA3 0.526 4.486 3.960 -0.000 0.000 0.291 377 G C -1.388 173.030 174.900 -0.802 0.000 1.471 377 G CA -0.664 44.178 45.100 -0.430 0.000 0.798 377 G HN 0.122 nan 8.290 nan 0.000 0.504 378 F N -0.340 119.792 119.950 0.303 0.000 2.626 378 F HA 0.761 5.287 4.527 -0.000 0.000 0.311 378 F C 0.339 176.405 175.800 0.445 0.000 1.088 378 F CA -0.886 57.255 58.000 0.235 0.000 0.949 378 F CB 2.439 41.561 39.000 0.203 0.000 1.322 378 F HN 0.420 nan 8.300 nan 0.000 0.461 379 S N 0.102 116.151 115.700 0.582 0.000 2.578 379 S HA 0.744 5.214 4.470 -0.000 0.000 0.301 379 S C -1.309 173.510 174.600 0.366 0.000 1.091 379 S CA -0.574 57.930 58.200 0.506 0.000 1.032 379 S CB 1.552 65.090 63.200 0.563 0.000 1.064 379 S HN 0.629 nan 8.310 nan 0.000 0.508 380 C N 1.573 121.051 119.300 0.297 0.000 2.482 380 C HA 0.859 5.319 4.460 -0.000 0.000 0.317 380 C C 0.689 175.816 174.990 0.229 0.000 1.197 380 C CA -0.637 58.526 59.018 0.243 0.000 1.432 380 C CB 1.129 28.999 27.740 0.216 0.000 2.062 380 C HN 0.914 nan 8.230 nan 0.000 0.471 381 T N 1.250 115.940 114.554 0.225 0.000 2.724 381 T HA 0.627 4.977 4.350 -0.000 0.000 0.274 381 T C -0.261 174.518 174.700 0.131 0.000 0.984 381 T CA -0.531 61.691 62.100 0.203 0.000 1.024 381 T CB 0.602 69.627 68.868 0.262 0.000 1.320 381 T HN 0.530 nan 8.240 nan 0.000 0.555 382 I N 3.385 124.010 120.570 0.093 0.000 2.845 382 I HA 0.130 4.300 4.170 -0.000 0.000 0.296 382 I C -1.531 174.518 176.117 -0.113 0.000 1.216 382 I CA -0.672 60.624 61.300 -0.006 0.000 1.438 382 I CB 0.619 38.623 38.000 0.007 0.000 1.342 382 I HN 0.486 nan 8.210 nan 0.000 0.577 383 P HA 0.180 nan 4.420 nan 0.000 0.263 383 P C 0.009 177.082 177.300 -0.379 0.000 1.821 383 P CA 0.065 62.972 63.100 -0.323 0.000 1.186 383 P CB 0.268 31.796 31.700 -0.286 0.000 1.623 384 H N -0.690 118.405 119.070 0.043 0.000 2.755 384 H HA 0.271 4.827 4.556 -0.000 0.000 0.273 384 H C 1.406 176.764 175.328 0.050 0.000 1.055 384 H CA -0.136 55.934 56.048 0.036 0.000 1.191 384 H CB 0.500 30.272 29.762 0.016 0.000 1.536 384 H HN 0.211 nan 8.280 nan 0.000 0.529 385 K N 1.246 121.725 120.400 0.132 0.000 2.009 385 K HA -0.177 4.143 4.320 -0.000 0.000 0.210 385 K C 1.954 178.607 176.600 0.088 0.000 1.049 385 K CA 1.476 57.832 56.287 0.114 0.000 0.929 385 K CB 0.215 32.771 32.500 0.094 0.000 0.714 385 K HN 0.263 nan 8.250 nan 0.000 0.440 386 E N 0.272 120.512 120.200 0.067 0.000 2.106 386 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 386 E C 1.911 178.545 176.600 0.056 0.000 0.984 386 E CA 0.839 57.268 56.400 0.049 0.000 0.806 386 E CB 0.033 29.753 29.700 0.034 0.000 0.750 386 E HN 0.343 nan 8.360 nan 0.000 0.458 387 A N 1.005 123.874 122.820 0.082 0.000 1.929 387 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 387 A C 2.340 179.970 177.584 0.077 0.000 1.176 387 A CA 1.385 53.474 52.037 0.087 0.000 0.628 387 A CB -0.535 18.546 19.000 0.135 0.000 0.816 387 A HN 0.364 nan 8.150 nan 0.000 0.444 388 A N -0.200 122.677 122.820 0.094 0.000 1.940 388 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 388 A C 2.091 179.711 177.584 0.060 0.000 1.176 388 A CA 1.770 53.857 52.037 0.084 0.000 0.631 388 A CB -0.660 18.408 19.000 0.114 0.000 0.814 388 A HN 0.681 nan 8.150 nan 0.000 0.446 389 L N -0.452 120.799 121.223 0.047 0.000 2.043 389 L HA -0.247 4.092 4.340 -0.000 0.000 0.212 389 L C 2.400 179.278 176.870 0.013 0.000 1.075 389 L CA 2.352 57.204 54.840 0.019 0.000 0.752 389 L CB -0.558 41.506 42.059 0.009 0.000 0.891 389 L HN 0.382 nan 8.230 nan 0.000 0.432 390 Q N -1.253 118.559 119.800 0.021 0.000 2.167 390 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 390 Q C 2.335 178.345 176.000 0.017 0.000 0.970 390 Q CA 1.769 57.582 55.803 0.016 0.000 0.855 390 Q CB -0.806 27.945 28.738 0.021 0.000 0.911 390 Q HN 0.613 nan 8.270 nan 0.000 0.438 391 C N -0.236 119.080 119.300 0.027 0.000 2.539 391 C HA 0.119 4.579 4.460 -0.000 0.000 0.268 391 C C 1.322 176.331 174.990 0.032 0.000 1.395 391 C CA -1.024 58.011 59.018 0.029 0.000 1.757 391 C CB -0.538 27.224 27.740 0.036 0.000 1.851 391 C HN 0.330 nan 8.230 nan 0.000 0.545 392 C N 2.284 121.600 119.300 0.027 0.000 2.601 392 C HA 0.102 4.561 4.460 -0.000 0.000 0.409 392 C C 1.585 176.576 174.990 0.001 0.000 1.293 392 C CA 0.007 59.036 59.018 0.019 0.000 2.101 392 C CB 0.130 27.866 27.740 -0.006 0.000 2.639 392 C HN 0.558 nan 8.230 nan 0.000 0.592 393 D N 0.643 121.044 120.400 0.002 0.000 2.183 393 D HA 0.006 4.646 4.640 -0.000 0.000 0.205 393 D C 0.390 176.677 176.300 -0.022 0.000 0.962 393 D CA 1.162 55.160 54.000 -0.004 0.000 0.849 393 D CB 0.346 41.149 40.800 0.006 0.000 0.978 393 D HN 0.716 nan 8.370 nan 0.000 0.488 394 E N 0.287 120.461 120.200 -0.044 0.000 2.272 394 E HA 0.484 4.834 4.350 -0.000 0.000 0.269 394 E C -1.102 175.418 176.600 -0.134 0.000 0.877 394 E CA -0.579 55.777 56.400 -0.073 0.000 0.755 394 E CB 3.404 33.064 29.700 -0.067 0.000 1.192 394 E HN -0.249 nan 8.360 nan 0.000 0.422 395 V N 2.037 121.875 119.914 -0.128 0.000 2.540 395 V HA 0.129 4.249 4.120 -0.000 0.000 0.302 395 V C -0.378 175.617 176.094 -0.165 0.000 1.035 395 V CA -0.862 61.340 62.300 -0.163 0.000 0.873 395 V CB 1.950 33.713 31.823 -0.099 0.000 0.992 395 V HN 0.702 nan 8.190 nan 0.000 0.428 396 D N 5.665 125.926 120.400 -0.231 0.000 2.455 396 D HA 0.144 4.783 4.640 -0.000 0.000 0.241 396 D C -1.522 174.743 176.300 -0.059 0.000 1.138 396 D CA -0.939 52.989 54.000 -0.120 0.000 0.877 396 D CB 1.627 42.406 40.800 -0.036 0.000 1.187 396 D HN 0.242 nan 8.370 nan 0.000 0.451 397 P HA -0.194 nan 4.420 nan 0.000 0.217 397 P C 1.277 178.553 177.300 -0.040 0.000 1.151 397 P CA 0.668 63.755 63.100 -0.022 0.000 0.849 397 P CB 0.084 31.788 31.700 0.006 0.000 0.787 398 L N -0.859 120.352 121.223 -0.019 0.000 2.109 398 L HA 0.003 4.343 4.340 -0.000 0.000 0.207 398 L C 2.130 178.930 176.870 -0.116 0.000 1.086 398 L CA 1.887 56.701 54.840 -0.042 0.000 0.760 398 L CB -1.489 40.589 42.059 0.030 0.000 0.910 398 L HN -0.130 nan 8.230 nan 0.000 0.437 399 A N -0.577 122.200 122.820 -0.072 0.000 1.897 399 A HA -0.200 4.120 4.320 -0.000 0.000 0.215 399 A C 2.441 179.960 177.584 -0.110 0.000 1.181 399 A CA 1.698 53.687 52.037 -0.079 0.000 0.620 399 A CB -0.530 18.434 19.000 -0.060 0.000 0.821 399 A HN 0.465 nan 8.150 nan 0.000 0.443 400 K N -0.342 119.996 120.400 -0.103 0.000 2.026 400 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 400 K C 2.367 178.885 176.600 -0.136 0.000 1.048 400 K CA 1.537 57.767 56.287 -0.095 0.000 0.929 400 K CB -0.250 32.208 32.500 -0.070 0.000 0.713 400 K HN 0.407 nan 8.250 nan 0.000 0.439 401 S N 0.377 115.963 115.700 -0.190 0.000 2.383 401 S HA -0.108 4.362 4.470 -0.000 0.000 0.229 401 S C 1.850 176.143 174.600 -0.512 0.000 1.030 401 S CA 1.201 59.219 58.200 -0.304 0.000 1.002 401 S CB -0.225 62.774 63.200 -0.335 0.000 0.829 401 S HN 0.340 nan 8.310 nan 0.000 0.467 402 I N 0.092 120.362 120.570 -0.502 0.000 2.333 402 I HA 0.119 4.289 4.170 -0.000 0.000 0.246 402 I C 1.972 177.982 176.117 -0.178 0.000 1.106 402 I CA 0.857 61.911 61.300 -0.411 0.000 1.411 402 I CB -0.334 37.512 38.000 -0.257 0.000 1.082 402 I HN 0.564 nan 8.210 nan 0.000 0.420 403 G N 1.017 109.739 108.800 -0.129 0.000 2.144 403 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.218 403 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.218 403 G C 0.095 174.975 174.900 -0.032 0.000 0.988 403 G CA -0.098 44.962 45.100 -0.066 0.000 0.659 403 G HN 0.729 nan 8.290 nan 0.000 0.522 404 A N -1.231 121.571 122.820 -0.029 0.000 2.594 404 A HA 0.849 5.169 4.320 -0.000 0.000 0.295 404 A C -0.975 176.619 177.584 0.017 0.000 1.071 404 A CA -0.146 51.894 52.037 0.006 0.000 0.685 404 A CB 2.061 21.075 19.000 0.023 0.000 1.285 404 A HN 1.318 nan 8.150 nan 0.000 0.405 405 V N 1.829 121.769 119.914 0.044 0.000 2.448 405 V HA 0.375 4.495 4.120 -0.000 0.000 0.295 405 V C 0.666 176.824 176.094 0.107 0.000 1.025 405 V CA 0.175 62.514 62.300 0.065 0.000 0.859 405 V CB 1.426 33.286 31.823 0.061 0.000 0.988 405 V HN 1.092 nan 8.190 nan 0.000 0.431 406 N N 1.868 120.640 118.700 0.120 0.000 2.171 406 N HA 0.122 4.862 4.740 -0.000 0.000 0.212 406 N C -0.271 175.351 175.510 0.187 0.000 1.184 406 N CA -0.333 52.807 53.050 0.149 0.000 0.888 406 N CB 0.930 39.492 38.487 0.124 0.000 1.038 406 N HN 0.560 nan 8.380 nan 0.000 0.517 407 T N 1.063 115.735 114.554 0.197 0.000 3.011 407 T HA 0.414 4.764 4.350 -0.000 0.000 0.303 407 T C -0.837 174.056 174.700 0.323 0.000 0.997 407 T CA -0.456 61.790 62.100 0.242 0.000 1.007 407 T CB 1.749 70.672 68.868 0.092 0.000 1.017 407 T HN 0.075 nan 8.240 nan 0.000 0.443 408 I N 3.305 124.135 120.570 0.432 0.000 2.474 408 I HA 0.598 4.768 4.170 -0.000 0.000 0.294 408 I C -1.145 175.256 176.117 0.474 0.000 1.005 408 I CA -1.173 60.381 61.300 0.423 0.000 1.113 408 I CB 2.037 40.320 38.000 0.471 0.000 1.289 408 I HN 0.354 nan 8.210 nan 0.000 0.436 409 L N 6.558 128.012 121.223 0.385 0.000 2.381 409 L HA 0.477 4.817 4.340 -0.000 0.000 0.274 409 L C -0.460 176.544 176.870 0.224 0.000 0.988 409 L CA -0.392 54.654 54.840 0.343 0.000 0.824 409 L CB 1.555 43.844 42.059 0.384 0.000 1.263 409 L HN 0.503 nan 8.230 nan 0.000 0.410 410 R N 4.662 125.251 120.500 0.148 0.000 2.235 410 R HA 0.271 4.611 4.340 -0.000 0.000 0.338 410 R C -0.334 176.019 176.300 0.088 0.000 1.087 410 R CA -0.559 55.605 56.100 0.106 0.000 0.948 410 R CB 0.210 30.547 30.300 0.060 0.000 1.099 410 R HN 0.796 nan 8.270 nan 0.000 0.483 411 R N 3.846 124.400 120.500 0.090 0.000 2.458 411 R HA -0.033 4.307 4.340 -0.000 0.000 0.303 411 R C 0.796 177.125 176.300 0.049 0.000 1.013 411 R CA 0.432 56.576 56.100 0.074 0.000 1.026 411 R CB 0.631 30.971 30.300 0.068 0.000 0.948 411 R HN 0.567 nan 8.270 nan 0.000 0.417 412 K N 1.919 122.343 120.400 0.041 0.000 2.057 412 K HA -0.146 4.173 4.320 -0.000 0.000 0.207 412 K C 1.791 178.403 176.600 0.020 0.000 1.049 412 K CA 1.755 58.056 56.287 0.023 0.000 0.931 412 K CB -0.040 32.470 32.500 0.016 0.000 0.714 412 K HN 0.575 nan 8.250 nan 0.000 0.440 413 S N 2.144 117.859 115.700 0.023 0.000 2.521 413 S HA -0.241 4.229 4.470 -0.000 0.000 0.246 413 S C 1.681 176.291 174.600 0.017 0.000 1.059 413 S CA 2.286 60.497 58.200 0.019 0.000 1.302 413 S CB -0.635 62.578 63.200 0.022 0.000 1.216 413 S HN 0.525 nan 8.310 nan 0.000 0.421 414 D N -0.342 120.070 120.400 0.021 0.000 2.202 414 D HA 0.324 4.964 4.640 -0.000 0.000 0.214 414 D C 1.267 177.580 176.300 0.021 0.000 0.967 414 D CA 0.940 54.951 54.000 0.018 0.000 0.871 414 D CB -0.619 40.191 40.800 0.017 0.000 1.020 414 D HN 0.662 nan 8.370 nan 0.000 0.474 415 G N 0.097 108.915 108.800 0.030 0.000 2.161 415 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.140 415 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.140 415 G C -0.113 174.815 174.900 0.046 0.000 1.040 415 G CA -0.166 44.956 45.100 0.037 0.000 0.735 415 G HN 0.628 nan 8.290 nan 0.000 0.496 416 K N 0.220 120.648 120.400 0.046 0.000 2.109 416 K HA 0.825 5.145 4.320 -0.000 0.000 0.243 416 K C 0.041 176.683 176.600 0.069 0.000 1.006 416 K CA -0.964 55.352 56.287 0.048 0.000 0.917 416 K CB 1.435 33.954 32.500 0.032 0.000 1.081 416 K HN 0.121 nan 8.250 nan 0.000 0.468 417 L N 2.334 123.600 121.223 0.072 0.000 2.275 417 L HA 0.364 4.704 4.340 -0.000 0.000 0.288 417 L C -0.511 176.390 176.870 0.051 0.000 1.046 417 L CA -0.918 53.980 54.840 0.097 0.000 0.805 417 L CB 0.608 42.740 42.059 0.121 0.000 1.193 417 L HN 0.443 nan 8.230 nan 0.000 0.426 418 L N 3.082 124.339 121.223 0.056 0.000 2.305 418 L HA 0.591 4.931 4.340 -0.000 0.000 0.284 418 L C 0.516 177.269 176.870 -0.194 0.000 1.013 418 L CA -0.511 54.276 54.840 -0.089 0.000 0.819 418 L CB 1.568 43.605 42.059 -0.037 0.000 1.227 418 L HN 0.648 nan 8.230 nan 0.000 0.417 419 G N 2.234 110.845 108.800 -0.314 0.000 2.332 419 G HA2 0.588 4.548 3.960 -0.000 0.000 0.310 419 G HA3 0.588 4.548 3.960 -0.000 0.000 0.310 419 G C -1.363 173.246 174.900 -0.485 0.000 1.123 419 G CA -0.100 44.855 45.100 -0.242 0.000 0.873 419 G HN 0.387 nan 8.290 nan 0.000 0.460 420 Y N 0.368 120.682 120.300 0.022 0.000 2.605 420 Y HA 0.507 5.056 4.550 -0.000 0.000 0.343 420 Y C 0.063 175.957 175.900 -0.010 0.000 1.036 420 Y CA -1.262 56.832 58.100 -0.010 0.000 1.065 420 Y CB 2.583 41.017 38.460 -0.043 0.000 1.288 420 Y HN 0.469 nan 8.280 nan 0.000 0.481 421 N N 0.268 119.059 118.700 0.150 0.000 2.504 421 N HA 0.155 4.895 4.740 -0.000 0.000 0.280 421 N C -0.326 175.209 175.510 0.041 0.000 1.052 421 N CA -0.103 52.992 53.050 0.075 0.000 0.887 421 N CB 1.713 40.223 38.487 0.038 0.000 1.323 421 N HN 0.876 nan 8.380 nan 0.000 0.509 422 T N -0.819 113.738 114.554 0.006 0.000 3.054 422 T HA 0.159 4.509 4.350 -0.000 0.000 0.255 422 T C 0.698 175.369 174.700 -0.048 0.000 1.035 422 T CA 0.089 62.158 62.100 -0.053 0.000 0.941 422 T CB 0.332 69.122 68.868 -0.129 0.000 1.026 422 T HN 0.233 nan 8.240 nan 0.000 0.533 423 D N 0.940 121.342 120.400 0.003 0.000 2.123 423 D HA -0.055 4.585 4.640 -0.000 0.000 0.200 423 D C 2.212 178.525 176.300 0.021 0.000 0.976 423 D CA 0.726 54.742 54.000 0.026 0.000 0.831 423 D CB -0.404 40.436 40.800 0.068 0.000 0.974 423 D HN 0.421 nan 8.370 nan 0.000 0.469 424 C N 0.941 120.262 119.300 0.034 0.000 2.396 424 C HA -0.191 4.268 4.460 -0.000 0.000 0.281 424 C C 2.883 177.878 174.990 0.009 0.000 1.208 424 C CA 0.666 59.714 59.018 0.049 0.000 1.754 424 C CB -1.220 26.580 27.740 0.101 0.000 2.044 424 C HN 0.264 nan 8.230 nan 0.000 0.449 425 I N 1.055 121.626 120.570 0.002 0.000 2.335 425 I HA -0.089 4.081 4.170 -0.000 0.000 0.251 425 I C 2.651 178.738 176.117 -0.051 0.000 1.129 425 I CA 1.711 63.001 61.300 -0.018 0.000 1.402 425 I CB -0.779 37.214 38.000 -0.013 0.000 1.069 425 I HN 0.601 nan 8.210 nan 0.000 0.424 426 G N -0.228 108.526 108.800 -0.077 0.000 2.402 426 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.216 426 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.216 426 G C 1.753 176.596 174.900 -0.094 0.000 1.162 426 G CA 0.897 45.935 45.100 -0.103 0.000 0.777 426 G HN 0.364 nan 8.290 nan 0.000 0.539 427 S N 0.613 116.247 115.700 -0.109 0.000 2.338 427 S HA -0.044 4.426 4.470 -0.000 0.000 0.218 427 S C 2.323 176.722 174.600 -0.335 0.000 1.032 427 S CA 0.812 58.838 58.200 -0.290 0.000 0.999 427 S CB -0.189 62.898 63.200 -0.189 0.000 0.905 427 S HN 0.192 nan 8.310 nan 0.000 0.439 428 I N 2.204 122.667 120.570 -0.178 0.000 2.118 428 I HA -0.161 4.009 4.170 -0.000 0.000 0.241 428 I C 2.427 178.477 176.117 -0.111 0.000 1.070 428 I CA 1.395 62.614 61.300 -0.134 0.000 1.327 428 I CB -1.807 36.153 38.000 -0.068 0.000 1.034 428 I HN 0.199 nan 8.210 nan 0.000 0.405 429 S N 0.840 116.497 115.700 -0.072 0.000 2.368 429 S HA -0.123 4.347 4.470 -0.000 0.000 0.225 429 S C 2.237 176.822 174.600 -0.025 0.000 1.030 429 S CA 1.292 59.477 58.200 -0.026 0.000 0.999 429 S CB -0.365 62.846 63.200 0.018 0.000 0.844 429 S HN 0.569 nan 8.310 nan 0.000 0.459 430 A N 1.494 124.282 122.820 -0.054 0.000 1.883 430 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 430 A C 2.074 179.624 177.584 -0.057 0.000 1.186 430 A CA 1.383 53.409 52.037 -0.019 0.000 0.624 430 A CB -0.744 18.241 19.000 -0.024 0.000 0.822 430 A HN 0.484 nan 8.150 nan 0.000 0.444 431 I N -0.544 119.922 120.570 -0.174 0.000 2.113 431 I HA -0.262 3.907 4.170 -0.000 0.000 0.238 431 I C 2.540 178.630 176.117 -0.045 0.000 1.070 431 I CA 1.715 62.940 61.300 -0.124 0.000 1.332 431 I CB -0.593 37.289 38.000 -0.196 0.000 1.044 431 I HN 0.413 nan 8.210 nan 0.000 0.402 432 E N 0.593 120.763 120.200 -0.049 0.000 2.097 432 E HA -0.329 4.021 4.350 -0.000 0.000 0.196 432 E C 1.723 178.318 176.600 -0.008 0.000 1.000 432 E CA 1.957 58.344 56.400 -0.022 0.000 0.804 432 E CB -0.282 29.406 29.700 -0.021 0.000 0.740 432 E HN 0.491 nan 8.360 nan 0.000 0.454 433 D N -0.025 120.371 120.400 -0.006 0.000 2.123 433 D HA -0.128 4.512 4.640 -0.000 0.000 0.196 433 D C 2.062 178.363 176.300 0.003 0.000 0.992 433 D CA 1.568 55.568 54.000 -0.001 0.000 0.833 433 D CB -0.394 40.409 40.800 0.005 0.000 0.954 433 D HN 0.177 nan 8.370 nan 0.000 0.455 434 G N -0.128 108.681 108.800 0.014 0.000 2.450 434 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.220 434 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.220 434 G C 0.898 175.811 174.900 0.022 0.000 1.130 434 G CA 0.631 45.748 45.100 0.028 0.000 0.760 434 G HN 0.300 nan 8.290 nan 0.000 0.557 456 V N 5.304 125.274 119.914 0.094 0.000 2.417 456 V HA 0.575 4.695 4.120 -0.000 0.000 0.291 456 V C 0.179 176.339 176.094 0.110 0.000 1.024 456 V CA -0.779 61.588 62.300 0.112 0.000 0.861 456 V CB 1.879 33.745 31.823 0.071 0.000 0.985 456 V HN 0.774 nan 8.190 nan 0.000 0.436 457 V N 6.004 126.010 119.914 0.154 0.000 2.320 457 V HA 0.261 4.381 4.120 -0.000 0.000 0.265 457 V C 0.116 176.238 176.094 0.046 0.000 1.048 457 V CA -0.422 61.929 62.300 0.086 0.000 0.865 457 V CB 1.314 33.233 31.823 0.160 0.000 1.043 457 V HN 0.628 nan 8.190 nan 0.000 0.474 458 V N 6.996 126.926 119.914 0.027 0.000 2.406 458 V HA 0.369 4.489 4.120 -0.000 0.000 0.272 458 V C 0.209 176.309 176.094 0.011 0.000 1.043 458 V CA -0.233 62.089 62.300 0.036 0.000 0.915 458 V CB 1.312 33.162 31.823 0.045 0.000 0.988 458 V HN 0.646 nan 8.190 nan 0.000 0.466 459 I N 5.048 125.625 120.570 0.012 0.000 2.297 459 I HA 0.700 4.870 4.170 -0.000 0.000 0.291 459 I C 0.735 176.857 176.117 0.010 0.000 1.033 459 I CA 0.050 61.348 61.300 -0.004 0.000 1.253 459 I CB 0.926 38.912 38.000 -0.024 0.000 1.396 459 I HN 0.859 nan 8.210 nan 0.000 0.476 460 G N 4.306 113.111 108.800 0.009 0.000 2.841 460 G HA2 0.169 4.129 3.960 -0.000 0.000 0.684 460 G HA3 0.169 4.129 3.960 -0.000 0.000 0.684 460 G C -0.405 174.506 174.900 0.018 0.000 1.273 460 G CA -0.303 44.806 45.100 0.014 0.000 0.811 460 G HN 0.839 nan 8.290 nan 0.000 0.631 461 A N 0.936 123.764 122.820 0.013 0.000 2.594 461 A HA 0.784 5.104 4.320 -0.000 0.000 0.287 461 A C 1.330 178.923 177.584 0.016 0.000 1.227 461 A CA 1.232 53.275 52.037 0.011 0.000 0.952 461 A CB -0.059 18.939 19.000 -0.004 0.000 1.161 461 A HN 2.128 nan 8.150 nan 0.000 0.524 462 G N -1.356 107.457 108.800 0.023 0.000 2.525 462 G HA2 0.417 4.377 3.960 -0.000 0.000 0.287 462 G HA3 0.417 4.377 3.960 -0.000 0.000 0.287 462 G C 1.159 176.081 174.900 0.037 0.000 1.350 462 G CA 0.096 45.212 45.100 0.025 0.000 1.039 462 G HN 0.479 nan 8.290 nan 0.000 0.513 463 G N -0.167 108.658 108.800 0.042 0.000 2.505 463 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.220 463 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.220 463 G C 1.934 176.873 174.900 0.065 0.000 1.145 463 G CA 2.010 47.140 45.100 0.051 0.000 0.761 463 G HN 0.965 nan 8.290 nan 0.000 0.571 464 A N 0.613 123.481 122.820 0.079 0.000 1.930 464 A HA 0.228 4.548 4.320 -0.000 0.000 0.217 464 A C 2.706 180.350 177.584 0.100 0.000 1.175 464 A CA 1.968 54.067 52.037 0.103 0.000 0.627 464 A CB -0.918 18.155 19.000 0.122 0.000 0.815 464 A HN 0.550 nan 8.150 nan 0.000 0.443 465 G N -0.067 108.781 108.800 0.079 0.000 2.402 465 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 465 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 465 G C 1.658 176.601 174.900 0.072 0.000 1.162 465 G CA 1.038 46.182 45.100 0.073 0.000 0.777 465 G HN 0.569 nan 8.290 nan 0.000 0.539 466 K N 0.708 121.145 120.400 0.061 0.000 2.009 466 K HA -0.040 4.280 4.320 -0.000 0.000 0.210 466 K C 2.975 179.631 176.600 0.093 0.000 1.049 466 K CA 1.188 57.512 56.287 0.062 0.000 0.929 466 K CB -0.330 32.190 32.500 0.033 0.000 0.714 466 K HN 0.257 nan 8.250 nan 0.000 0.440 467 A N 1.749 124.619 122.820 0.083 0.000 1.865 467 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 467 A C 2.200 179.861 177.584 0.128 0.000 1.191 467 A CA 1.379 53.478 52.037 0.104 0.000 0.623 467 A CB -0.805 18.243 19.000 0.079 0.000 0.826 467 A HN 0.298 nan 8.150 nan 0.000 0.444 468 L N -0.909 120.373 121.223 0.099 0.000 2.131 468 L HA -0.150 4.189 4.340 -0.000 0.000 0.210 468 L C 2.825 179.737 176.870 0.070 0.000 1.092 468 L CA 1.293 56.176 54.840 0.072 0.000 0.759 468 L CB -0.306 41.807 42.059 0.090 0.000 0.903 468 L HN 0.431 nan 8.230 nan 0.000 0.435 469 A N -0.942 121.933 122.820 0.091 0.000 1.873 469 A HA -0.297 4.023 4.320 -0.000 0.000 0.215 469 A C 2.111 179.751 177.584 0.092 0.000 1.186 469 A CA 1.663 53.747 52.037 0.079 0.000 0.616 469 A CB -1.069 17.978 19.000 0.079 0.000 0.823 469 A HN 0.554 nan 8.150 nan 0.000 0.442 470 Y N 0.873 121.178 120.300 0.009 0.000 2.097 470 Y HA -0.149 4.401 4.550 -0.000 0.000 0.282 470 Y C 2.531 178.432 175.900 0.003 0.000 1.152 470 Y CA 1.760 59.864 58.100 0.007 0.000 1.136 470 Y CB -0.871 37.594 38.460 0.009 0.000 0.975 470 Y HN 0.227 nan 8.280 nan 0.000 0.498 471 G N -0.533 108.288 108.800 0.034 0.000 2.422 471 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 471 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 471 G C 1.805 176.647 174.900 -0.096 0.000 1.146 471 G CA 0.981 46.046 45.100 -0.058 0.000 0.769 471 G HN 0.631 nan 8.290 nan 0.000 0.547 472 A N 0.885 123.672 122.820 -0.056 0.000 1.933 472 A HA -0.013 4.307 4.320 -0.000 0.000 0.218 472 A C 2.202 179.745 177.584 -0.069 0.000 1.175 472 A CA 2.119 54.128 52.037 -0.047 0.000 0.628 472 A CB -0.362 18.630 19.000 -0.012 0.000 0.814 472 A HN 0.476 nan 8.150 nan 0.000 0.444 473 K N -0.350 119.987 120.400 -0.105 0.000 2.007 473 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 473 K C 1.417 177.916 176.600 -0.167 0.000 1.047 473 K CA 1.479 57.692 56.287 -0.123 0.000 0.937 473 K CB -0.282 32.135 32.500 -0.139 0.000 0.718 473 K HN 0.268 nan 8.250 nan 0.000 0.438 474 E N 0.998 121.027 120.200 -0.284 0.000 2.401 474 E HA -0.105 4.245 4.350 -0.000 0.000 0.199 474 E C -0.007 176.508 176.600 -0.141 0.000 1.023 474 E CA 1.049 57.293 56.400 -0.260 0.000 0.859 474 E CB 0.093 29.560 29.700 -0.389 0.000 0.780 474 E HN 0.375 nan 8.360 nan 0.000 0.523 475 K N 0.139 120.474 120.400 -0.109 0.000 2.842 475 K HA 0.429 4.749 4.320 -0.000 0.000 0.176 475 K C 0.135 176.707 176.600 -0.046 0.000 1.080 475 K CA 0.084 56.331 56.287 -0.066 0.000 0.954 475 K CB 1.452 33.917 32.500 -0.057 0.000 1.203 475 K HN 0.111 nan 8.250 nan 0.000 0.611 476 G N 1.181 109.956 108.800 -0.040 0.000 2.445 476 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.212 476 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.212 476 G C -0.369 174.519 174.900 -0.020 0.000 1.217 476 G CA -0.624 44.462 45.100 -0.025 0.000 1.002 476 G HN 0.570 nan 8.290 nan 0.000 0.574 477 A N 0.083 122.898 122.820 -0.008 0.000 2.614 477 A HA 0.438 4.758 4.320 -0.000 0.000 0.231 477 A C 0.872 178.456 177.584 -0.000 0.000 1.076 477 A CA 1.438 53.476 52.037 0.001 0.000 0.767 477 A CB 0.033 19.041 19.000 0.014 0.000 1.012 477 A HN 0.780 nan 8.150 nan 0.000 0.512 478 K N -0.631 119.775 120.400 0.008 0.000 2.090 478 K HA 0.567 4.887 4.320 -0.000 0.000 0.249 478 K C 0.082 176.698 176.600 0.028 0.000 0.995 478 K CA -0.157 56.136 56.287 0.010 0.000 0.914 478 K CB 1.418 33.925 32.500 0.013 0.000 1.057 478 K HN 0.881 nan 8.250 nan 0.000 0.462 479 V N -2.398 117.532 119.914 0.027 0.000 3.126 479 V HA 0.733 4.853 4.120 -0.000 0.000 0.314 479 V C -0.713 175.404 176.094 0.037 0.000 1.138 479 V CA -0.947 61.376 62.300 0.039 0.000 1.034 479 V CB 2.025 33.868 31.823 0.032 0.000 1.075 479 V HN 0.368 nan 8.190 nan 0.000 0.442 480 V N 2.532 122.465 119.914 0.032 0.000 2.789 480 V HA 0.640 4.760 4.120 -0.000 0.000 0.311 480 V C -0.941 175.144 176.094 -0.016 0.000 1.073 480 V CA -0.622 61.685 62.300 0.012 0.000 0.921 480 V CB 1.794 33.627 31.823 0.016 0.000 1.009 480 V HN 0.854 nan 8.190 nan 0.000 0.426 481 I N 4.800 125.357 120.570 -0.023 0.000 2.566 481 I HA 0.762 4.932 4.170 -0.000 0.000 0.303 481 I C 0.405 176.497 176.117 -0.041 0.000 0.983 481 I CA -0.550 60.733 61.300 -0.028 0.000 1.235 481 I CB 1.426 39.409 38.000 -0.028 0.000 1.386 481 I HN 0.825 nan 8.210 nan 0.000 0.494 482 A N 4.714 127.516 122.820 -0.030 0.000 2.499 482 A HA 0.608 4.928 4.320 -0.000 0.000 0.280 482 A C -0.712 176.874 177.584 0.002 0.000 1.135 482 A CA -0.549 51.479 52.037 -0.014 0.000 0.744 482 A CB 0.692 19.668 19.000 -0.040 0.000 1.213 482 A HN 0.718 nan 8.150 nan 0.000 0.434 483 N N 0.661 119.371 118.700 0.017 0.000 2.328 483 N HA 0.401 5.140 4.740 -0.000 0.000 0.299 483 N C 1.019 176.556 175.510 0.045 0.000 1.179 483 N CA -0.834 52.228 53.050 0.020 0.000 0.793 483 N CB 1.591 40.081 38.487 0.004 0.000 1.366 483 N HN 0.510 nan 8.380 nan 0.000 0.493 484 R N -0.169 120.351 120.500 0.033 0.000 2.103 484 R HA -0.099 4.241 4.340 -0.000 0.000 0.242 484 R C -0.053 176.282 176.300 0.059 0.000 1.142 484 R CA 1.829 57.952 56.100 0.038 0.000 0.960 484 R CB -0.537 29.776 30.300 0.022 0.000 0.858 484 R HN 0.742 nan 8.270 nan 0.000 0.439 485 T N -1.823 112.764 114.554 0.056 0.000 3.016 485 T HA 0.053 4.402 4.350 -0.000 0.000 0.335 485 T C 0.572 175.334 174.700 0.104 0.000 1.176 485 T CA -0.717 61.428 62.100 0.075 0.000 0.987 485 T CB 0.642 69.537 68.868 0.046 0.000 1.073 485 T HN 0.278 nan 8.240 nan 0.000 0.547 486 Y N 3.847 124.151 120.300 0.007 0.000 2.150 486 Y HA -0.446 4.104 4.550 -0.000 0.000 0.264 486 Y C 2.175 178.081 175.900 0.011 0.000 1.278 486 Y CA 2.798 60.903 58.100 0.009 0.000 1.089 486 Y CB -0.455 38.012 38.460 0.011 0.000 0.903 486 Y HN 0.835 nan 8.280 nan 0.000 0.513 487 E N 0.400 120.618 120.200 0.030 0.000 2.136 487 E HA -0.254 4.096 4.350 -0.000 0.000 0.202 487 E C 1.092 177.623 176.600 -0.115 0.000 1.019 487 E CA 1.440 57.803 56.400 -0.060 0.000 0.819 487 E CB -0.525 29.192 29.700 0.027 0.000 0.739 487 E HN 0.488 nan 8.360 nan 0.000 0.458 492 L N 1.919 123.109 121.223 -0.055 0.000 2.027 492 L HA 0.196 4.536 4.340 -0.000 0.000 0.206 492 L C 2.388 179.248 176.870 -0.018 0.000 1.074 492 L CA 2.523 57.347 54.840 -0.027 0.000 0.745 492 L CB -1.270 40.772 42.059 -0.029 0.000 0.898 492 L HN 0.267 nan 8.230 nan 0.000 0.433 493 A N -0.730 122.065 122.820 -0.042 0.000 2.019 493 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 493 A C 1.979 179.557 177.584 -0.009 0.000 1.164 493 A CA 1.474 53.496 52.037 -0.025 0.000 0.644 493 A CB -0.361 18.613 19.000 -0.043 0.000 0.805 493 A HN 0.624 nan 8.150 nan 0.000 0.449 494 E N -0.823 119.367 120.200 -0.016 0.000 2.474 494 E HA 0.196 4.546 4.350 -0.000 0.000 0.194 494 E C 1.804 178.410 176.600 0.009 0.000 1.041 494 E CA 0.423 56.822 56.400 -0.002 0.000 0.874 494 E CB 0.049 29.744 29.700 -0.008 0.000 0.914 494 E HN 0.596 nan 8.360 nan 0.000 0.498 495 A N 1.286 124.113 122.820 0.013 0.000 2.123 495 A HA 0.013 4.333 4.320 -0.000 0.000 0.214 495 A C 1.942 179.558 177.584 0.053 0.000 1.152 495 A CA 0.541 52.595 52.037 0.028 0.000 0.728 495 A CB -0.314 18.701 19.000 0.025 0.000 0.814 495 A HN 0.356 nan 8.150 nan 0.000 0.464 496 I N -6.648 113.951 120.570 0.048 0.000 4.541 496 I HA 0.565 4.735 4.170 -0.000 0.000 0.337 496 I C 0.616 176.750 176.117 0.028 0.000 1.338 496 I CA 0.065 61.399 61.300 0.057 0.000 1.244 496 I CB 0.408 38.455 38.000 0.078 0.000 1.417 496 I HN 0.365 nan 8.210 nan 0.000 0.501 501 L N -0.289 120.973 121.223 0.066 0.000 2.789 501 L HA 0.601 4.941 4.340 -0.000 0.000 0.254 501 L C -0.870 176.188 176.870 0.313 0.000 0.952 501 L CA -0.200 54.789 54.840 0.247 0.000 0.942 501 L CB 1.791 43.896 42.059 0.076 0.000 1.502 501 L HN 1.127 nan 8.230 nan 0.000 0.425 502 S N 2.925 118.850 115.700 0.376 0.000 2.475 502 S HA 0.333 4.803 4.470 -0.000 0.000 0.281 502 S C 1.039 175.708 174.600 0.116 0.000 1.198 502 S CA -0.376 57.989 58.200 0.274 0.000 1.063 502 S CB 1.102 64.373 63.200 0.119 0.000 0.972 502 S HN 0.725 nan 8.310 nan 0.000 0.486 503 L N 4.692 125.967 121.223 0.087 0.000 2.064 503 L HA -0.291 4.049 4.340 -0.000 0.000 0.234 503 L C 2.715 179.608 176.870 0.039 0.000 1.103 503 L CA 2.717 57.584 54.840 0.046 0.000 0.824 503 L CB -1.168 40.913 42.059 0.036 0.000 0.919 503 L HN 0.988 nan 8.230 nan 0.000 0.447 504 T N -4.004 110.571 114.554 0.035 0.000 2.848 504 T HA -0.232 4.118 4.350 -0.000 0.000 0.269 504 T C 1.070 175.793 174.700 0.038 0.000 1.081 504 T CA 1.887 64.004 62.100 0.029 0.000 1.125 504 T CB -0.747 68.131 68.868 0.017 0.000 0.848 504 T HN 0.527 nan 8.240 nan 0.000 0.503 505 D N 0.336 120.764 120.400 0.048 0.000 2.348 505 D HA 0.204 4.844 4.640 -0.000 0.000 0.211 505 D C 1.711 178.068 176.300 0.095 0.000 0.998 505 D CA -0.082 53.959 54.000 0.068 0.000 0.873 505 D CB -0.253 40.590 40.800 0.071 0.000 0.925 505 D HN 0.231 nan 8.370 nan 0.000 0.524 506 L N 1.152 122.415 121.223 0.067 0.000 2.043 506 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 506 L C 1.231 178.180 176.870 0.132 0.000 1.075 506 L CA 1.868 56.744 54.840 0.060 0.000 0.752 506 L CB -0.425 41.647 42.059 0.021 0.000 0.891 506 L HN -0.009 nan 8.230 nan 0.000 0.432 507 D N -0.242 120.224 120.400 0.110 0.000 2.149 507 D HA -0.143 4.497 4.640 -0.000 0.000 0.198 507 D C 0.322 176.716 176.300 0.157 0.000 0.990 507 D CA 1.005 55.080 54.000 0.125 0.000 0.839 507 D CB -0.321 40.530 40.800 0.085 0.000 0.948 507 D HN 0.490 nan 8.370 nan 0.000 0.460 508 N N 0.486 119.273 118.700 0.145 0.000 2.645 508 N HA 0.182 4.922 4.740 -0.000 0.000 0.233 508 N C -0.733 174.910 175.510 0.223 0.000 1.058 508 N CA -0.024 53.109 53.050 0.137 0.000 0.942 508 N CB 0.865 39.407 38.487 0.092 0.000 1.210 508 N HN 0.190 nan 8.380 nan 0.000 0.512 513 D N -0.461 119.917 120.400 -0.036 0.000 2.520 513 D HA 0.172 4.812 4.640 -0.000 0.000 0.223 513 D C 0.424 176.731 176.300 0.013 0.000 1.186 513 D CA 0.313 54.332 54.000 0.031 0.000 0.821 513 D CB 1.351 42.193 40.800 0.069 0.000 1.072 513 D HN 0.485 nan 8.370 nan 0.000 0.518 514 G N 0.835 109.631 108.800 -0.007 0.000 4.250 514 G HA2 0.288 4.248 3.960 -0.000 0.000 0.295 514 G HA3 0.288 4.248 3.960 -0.000 0.000 0.295 514 G C 0.529 175.448 174.900 0.032 0.000 1.081 514 G CA -0.263 44.852 45.100 0.024 0.000 0.854 514 G HN -0.054 nan 8.290 nan 0.000 0.524 515 M N 0.079 119.662 119.600 -0.028 0.000 2.157 515 M HA 0.340 4.819 4.480 -0.000 0.000 0.304 515 M C -0.145 176.321 176.300 0.277 0.000 1.171 515 M CA 0.009 55.322 55.300 0.021 0.000 1.157 515 M CB 1.297 33.769 32.600 -0.214 0.000 1.403 515 M HN -0.184 nan 8.290 nan 0.000 0.473 516 V N 1.891 122.014 119.914 0.349 0.000 2.555 516 V HA 0.491 4.611 4.120 -0.000 0.000 0.302 516 V C -0.900 175.418 176.094 0.373 0.000 1.038 516 V CA -0.797 61.709 62.300 0.345 0.000 0.887 516 V CB 1.836 33.766 31.823 0.178 0.000 0.991 516 V HN 0.559 nan 8.190 nan 0.000 0.434 517 L N 4.427 125.738 121.223 0.146 0.000 2.341 517 L HA 0.932 5.272 4.340 -0.000 0.000 0.278 517 L C -0.102 176.782 176.870 0.025 0.000 1.005 517 L CA -0.299 54.480 54.840 -0.103 0.000 0.818 517 L CB 1.640 43.282 42.059 -0.695 0.000 1.259 517 L HN 0.757 nan 8.230 nan 0.000 0.418 518 A N 3.935 126.798 122.820 0.072 0.000 2.410 518 A HA 0.546 4.866 4.320 -0.000 0.000 0.289 518 A C -1.017 176.636 177.584 0.116 0.000 1.200 518 A CA -0.621 51.543 52.037 0.211 0.000 0.751 518 A CB 0.406 19.588 19.000 0.302 0.000 1.161 518 A HN 0.726 nan 8.150 nan 0.000 0.459 519 N N 1.663 120.369 118.700 0.011 0.000 2.444 519 N HA 0.380 5.119 4.740 -0.000 0.000 0.271 519 N C 0.820 176.312 175.510 -0.029 0.000 1.069 519 N CA 0.689 53.714 53.050 -0.042 0.000 0.965 519 N CB 1.066 39.489 38.487 -0.106 0.000 1.092 519 N HN 0.517 nan 8.380 nan 0.000 0.476 520 T N -1.262 113.305 114.554 0.023 0.000 3.091 520 T HA 0.146 4.496 4.350 -0.000 0.000 0.277 520 T C 0.656 175.372 174.700 0.027 0.000 0.996 520 T CA -0.031 62.103 62.100 0.056 0.000 0.897 520 T CB -0.726 68.210 68.868 0.113 0.000 1.109 520 T HN 0.508 nan 8.240 nan 0.000 0.534 521 T N -0.572 113.979 114.554 -0.005 0.000 2.814 521 T HA 0.469 4.819 4.350 -0.000 0.000 0.284 521 T C 1.023 175.702 174.700 -0.035 0.000 0.998 521 T CA -0.446 61.646 62.100 -0.013 0.000 0.935 521 T CB 1.127 69.983 68.868 -0.020 0.000 1.167 521 T HN -0.037 nan 8.240 nan 0.000 0.545 522 S N -0.086 115.588 115.700 -0.045 0.000 2.575 522 S HA 0.243 4.713 4.470 -0.000 0.000 0.215 522 S C 0.752 175.303 174.600 -0.082 0.000 0.966 522 S CA -0.322 57.833 58.200 -0.076 0.000 0.911 522 S CB -0.556 62.594 63.200 -0.083 0.000 0.780 522 S HN 0.550 nan 8.310 nan 0.000 0.514 523 M N 1.170 120.732 119.600 -0.064 0.000 2.252 523 M HA 0.206 4.686 4.480 -0.000 0.000 0.348 523 M C 1.543 177.799 176.300 -0.074 0.000 1.334 523 M CA 0.858 56.122 55.300 -0.060 0.000 1.071 523 M CB 0.032 32.603 32.600 -0.047 0.000 1.763 523 M HN 0.427 nan 8.290 nan 0.000 0.452 524 G N 2.707 111.464 108.800 -0.071 0.000 2.217 524 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.246 524 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.246 524 G C 0.151 174.993 174.900 -0.097 0.000 0.990 524 G CA 0.080 45.135 45.100 -0.076 0.000 0.627 524 G HN 0.655 nan 8.290 nan 0.000 0.522 525 M N 2.443 121.969 119.600 -0.122 0.000 2.245 525 M HA 0.397 4.877 4.480 -0.000 0.000 0.344 525 M C 1.269 177.489 176.300 -0.132 0.000 1.170 525 M CA -0.263 54.933 55.300 -0.174 0.000 1.135 525 M CB 0.473 32.924 32.600 -0.248 0.000 1.574 525 M HN 0.490 nan 8.290 nan 0.000 0.452 526 Q N 6.124 125.842 119.800 -0.137 0.000 2.349 526 Q HA 0.104 4.444 4.340 -0.000 0.000 0.287 526 Q C -2.179 173.852 176.000 0.052 0.000 1.044 526 Q CA -1.139 54.642 55.803 -0.037 0.000 0.918 526 Q CB 0.049 28.742 28.738 -0.076 0.000 1.242 526 Q HN 0.491 nan 8.270 nan 0.000 0.405 527 P HA 0.005 nan 4.420 nan 0.000 0.257 527 P C -0.577 176.731 177.300 0.014 0.000 1.281 527 P CA 0.082 63.234 63.100 0.086 0.000 0.826 527 P CB 0.228 31.966 31.700 0.063 0.000 1.237 528 N N 1.294 119.987 118.700 -0.011 0.000 3.243 528 N HA 0.017 4.757 4.740 -0.000 0.000 0.310 528 N C 1.509 176.999 175.510 -0.033 0.000 1.313 528 N CA 0.107 53.142 53.050 -0.026 0.000 1.204 528 N CB 0.557 39.023 38.487 -0.036 0.000 1.483 528 N HN 0.120 nan 8.380 nan 0.000 0.553 529 V N -1.851 118.048 119.914 -0.026 0.000 2.626 529 V HA -0.054 4.066 4.120 -0.000 0.000 0.252 529 V C 1.241 177.317 176.094 -0.030 0.000 1.067 529 V CA 1.326 63.608 62.300 -0.031 0.000 1.081 529 V CB -0.099 31.711 31.823 -0.022 0.000 0.686 529 V HN 0.123 nan 8.190 nan 0.000 0.468 530 E N 0.941 121.126 120.200 -0.024 0.000 2.394 530 E HA 0.238 4.588 4.350 -0.000 0.000 0.191 530 E C 0.349 176.936 176.600 -0.023 0.000 1.044 530 E CA 0.039 56.426 56.400 -0.022 0.000 0.939 530 E CB 0.326 30.016 29.700 -0.017 0.000 1.089 530 E HN 0.875 nan 8.360 nan 0.000 0.456 531 E N 0.858 121.040 120.200 -0.029 0.000 2.156 531 E HA 0.251 4.601 4.350 -0.000 0.000 0.279 531 E C -0.921 175.657 176.600 -0.036 0.000 0.965 531 E CA -0.176 56.206 56.400 -0.030 0.000 0.789 531 E CB 1.225 30.906 29.700 -0.032 0.000 1.098 531 E HN -0.156 nan 8.360 nan 0.000 0.397 532 T N 3.740 118.276 114.554 -0.031 0.000 2.893 532 T HA 0.420 4.770 4.350 -0.000 0.000 0.291 532 T C -2.001 172.680 174.700 -0.031 0.000 1.028 532 T CA -1.830 60.248 62.100 -0.036 0.000 0.995 532 T CB 1.542 70.391 68.868 -0.031 0.000 1.051 532 T HN 0.436 nan 8.240 nan 0.000 0.470 533 P HA 0.333 nan 4.420 nan 0.000 0.249 533 P C 0.064 177.350 177.300 -0.023 0.000 1.229 533 P CA 0.204 63.285 63.100 -0.032 0.000 0.788 533 P CB 0.491 32.165 31.700 -0.044 0.000 1.072 534 I N -1.470 119.087 120.570 -0.022 0.000 2.908 534 I HA 0.231 4.401 4.170 -0.000 0.000 0.300 534 I C -0.862 175.260 176.117 0.010 0.000 1.385 534 I CA -1.093 60.207 61.300 -0.001 0.000 1.004 534 I CB 2.485 40.477 38.000 -0.013 0.000 1.309 534 I HN -0.339 nan 8.210 nan 0.000 0.449 535 S N 3.908 119.629 115.700 0.034 0.000 2.549 535 S HA 0.111 4.581 4.470 -0.000 0.000 0.283 535 S C 1.156 175.781 174.600 0.041 0.000 1.320 535 S CA 0.019 58.242 58.200 0.037 0.000 1.058 535 S CB 0.729 63.960 63.200 0.052 0.000 0.882 535 S HN 0.706 nan 8.310 nan 0.000 0.498 536 K N 3.157 123.573 120.400 0.025 0.000 2.442 536 K HA -0.109 4.210 4.320 -0.000 0.000 0.198 536 K C 0.499 177.118 176.600 0.032 0.000 1.044 536 K CA 1.471 57.771 56.287 0.021 0.000 0.948 536 K CB -0.128 32.377 32.500 0.009 0.000 0.762 536 K HN 0.512 nan 8.250 nan 0.000 0.472 537 D N 1.523 121.949 120.400 0.043 0.000 2.183 537 D HA -0.055 4.585 4.640 -0.000 0.000 0.203 537 D C 1.954 178.296 176.300 0.069 0.000 0.969 537 D CA 1.288 55.314 54.000 0.042 0.000 0.842 537 D CB 0.055 40.886 40.800 0.053 0.000 0.957 537 D HN 0.434 nan 8.370 nan 0.000 0.484 538 A N 1.060 123.969 122.820 0.147 0.000 1.898 538 A HA -0.040 4.280 4.320 -0.000 0.000 0.214 538 A C 2.339 180.126 177.584 0.339 0.000 1.183 538 A CA 0.414 52.633 52.037 0.302 0.000 0.622 538 A CB -0.726 18.473 19.000 0.330 0.000 0.824 538 A HN 0.161 nan 8.150 nan 0.000 0.444 539 L N -0.443 120.919 121.223 0.232 0.000 2.197 539 L HA -0.261 4.079 4.340 -0.000 0.000 0.215 539 L C 2.427 179.417 176.870 0.200 0.000 1.095 539 L CA 1.738 56.723 54.840 0.242 0.000 0.764 539 L CB -0.521 41.583 42.059 0.075 0.000 0.897 539 L HN 0.317 nan 8.230 nan 0.000 0.436 540 K N -0.297 120.104 120.400 0.001 0.000 2.360 540 K HA -0.180 4.140 4.320 -0.000 0.000 0.201 540 K C 1.759 178.227 176.600 -0.221 0.000 1.046 540 K CA 1.362 57.553 56.287 -0.160 0.000 0.940 540 K CB -0.170 32.144 32.500 -0.310 0.000 0.748 540 K HN 0.438 nan 8.250 nan 0.000 0.465 541 H N -1.505 117.622 119.070 0.096 0.000 2.551 541 H HA 0.105 4.661 4.556 -0.000 0.000 0.271 541 H C -0.420 174.802 175.328 -0.177 0.000 0.984 541 H CA 0.058 56.069 56.048 -0.063 0.000 1.164 541 H CB 0.041 29.709 29.762 -0.157 0.000 1.437 541 H HN 0.052 nan 8.280 nan 0.000 0.550 542 Y N -0.466 119.908 120.300 0.123 0.000 2.409 542 Y HA 0.445 4.995 4.550 -0.000 0.000 0.339 542 Y C 1.105 177.046 175.900 0.067 0.000 1.033 542 Y CA -0.529 57.633 58.100 0.103 0.000 1.094 542 Y CB 1.698 40.217 38.460 0.098 0.000 1.210 542 Y HN -0.034 nan 8.280 nan 0.000 0.456 543 A N 2.883 125.827 122.820 0.207 0.000 1.943 543 A HA 0.206 4.526 4.320 -0.000 0.000 0.213 543 A C 0.059 177.725 177.584 0.135 0.000 1.181 543 A CA 0.712 52.828 52.037 0.131 0.000 0.653 543 A CB 0.125 19.181 19.000 0.092 0.000 0.833 543 A HN 0.683 nan 8.150 nan 0.000 0.451 544 L N -0.975 120.352 121.223 0.172 0.000 2.409 544 L HA 0.729 5.069 4.340 -0.000 0.000 0.262 544 L C -1.716 175.238 176.870 0.140 0.000 0.992 544 L CA -0.860 54.063 54.840 0.138 0.000 0.817 544 L CB 2.409 44.537 42.059 0.115 0.000 1.350 544 L HN -0.018 nan 8.230 nan 0.000 0.411 545 V N 4.304 124.278 119.914 0.100 0.000 2.569 545 V HA 0.516 4.636 4.120 -0.000 0.000 0.301 545 V C -1.580 174.589 176.094 0.126 0.000 1.044 545 V CA -0.372 61.961 62.300 0.055 0.000 0.874 545 V CB 1.737 33.537 31.823 -0.038 0.000 1.002 545 V HN 0.627 nan 8.190 nan 0.000 0.424 546 F N 6.024 125.967 119.950 -0.012 0.000 2.458 546 F HA 0.819 5.346 4.527 -0.000 0.000 0.330 546 F C -0.608 175.193 175.800 0.003 0.000 1.082 546 F CA -0.398 57.608 58.000 0.010 0.000 0.995 546 F CB 1.861 40.876 39.000 0.025 0.000 1.170 546 F HN 0.575 nan 8.300 nan 0.000 0.478 547 D N 3.808 123.631 120.400 -0.962 0.000 2.575 547 D HA 0.381 5.021 4.640 -0.000 0.000 0.250 547 D C 0.277 175.976 176.300 -1.002 0.000 1.279 547 D CA -0.150 53.396 54.000 -0.756 0.000 0.925 547 D CB 2.003 42.601 40.800 -0.336 0.000 1.261 547 D HN 0.723 nan 8.370 nan 0.000 0.567 548 A N 2.980 125.309 122.820 -0.817 0.000 2.125 548 A HA 0.024 4.344 4.320 -0.000 0.000 0.219 548 A C 0.963 178.515 177.584 -0.053 0.000 1.156 548 A CA 0.497 52.340 52.037 -0.323 0.000 0.671 548 A CB -0.011 18.994 19.000 0.009 0.000 0.794 548 A HN 0.416 nan 8.150 nan 0.000 0.459 549 V N 0.951 120.795 119.914 -0.117 0.000 2.479 549 V HA 0.054 4.174 4.120 -0.000 0.000 0.281 549 V C 0.761 176.846 176.094 -0.015 0.000 1.031 549 V CA 0.577 62.836 62.300 -0.069 0.000 1.038 549 V CB -0.170 31.573 31.823 -0.133 0.000 0.981 549 V HN 0.665 nan 8.190 nan 0.000 0.478 550 Y N 2.220 122.455 120.300 -0.110 0.000 2.481 550 Y HA 0.399 4.949 4.550 -0.000 0.000 0.247 550 Y C 0.807 176.635 175.900 -0.119 0.000 1.151 550 Y CA -0.481 57.549 58.100 -0.117 0.000 1.238 550 Y CB -0.086 38.275 38.460 -0.164 0.000 1.179 550 Y HN 0.531 nan 8.280 nan 0.000 0.524 551 T N 1.083 115.334 114.554 -0.504 0.000 2.963 551 T HA 0.475 4.825 4.350 -0.000 0.000 0.328 551 T C -2.995 171.545 174.700 -0.266 0.000 1.048 551 T CA -2.140 59.720 62.100 -0.400 0.000 1.033 551 T CB 2.378 70.938 68.868 -0.513 0.000 1.010 551 T HN -0.028 nan 8.240 nan 0.000 0.469 552 P HA 0.262 nan 4.420 nan 0.000 0.275 552 P C 0.679 177.930 177.300 -0.081 0.000 1.266 552 P CA -0.664 62.366 63.100 -0.117 0.000 0.793 552 P CB 1.633 33.286 31.700 -0.078 0.000 1.074 553 R N 0.204 120.684 120.500 -0.034 0.000 2.066 553 R HA 0.016 4.355 4.340 -0.000 0.000 0.232 553 R C 0.606 176.903 176.300 -0.004 0.000 1.131 553 R CA 1.149 57.255 56.100 0.010 0.000 0.955 553 R CB -0.103 30.217 30.300 0.033 0.000 0.851 553 R HN 0.381 nan 8.270 nan 0.000 0.432 554 I N 3.052 123.613 120.570 -0.016 0.000 2.313 554 I HA 0.083 4.253 4.170 -0.000 0.000 0.286 554 I C 0.249 176.345 176.117 -0.036 0.000 1.091 554 I CA -0.184 61.104 61.300 -0.020 0.000 1.216 554 I CB 0.321 38.314 38.000 -0.011 0.000 1.434 554 I HN 0.215 nan 8.210 nan 0.000 0.487 555 T N 2.238 116.763 114.554 -0.049 0.000 2.788 555 T HA 0.237 4.586 4.350 -0.000 0.000 0.287 555 T C 1.390 176.062 174.700 -0.047 0.000 1.007 555 T CA -0.456 61.608 62.100 -0.059 0.000 1.005 555 T CB 1.579 70.399 68.868 -0.079 0.000 1.012 555 T HN 0.584 nan 8.240 nan 0.000 0.530 556 R N -0.474 119.999 120.500 -0.045 0.000 2.091 556 R HA -0.097 4.243 4.340 -0.000 0.000 0.238 556 R C 2.251 178.529 176.300 -0.038 0.000 1.136 556 R CA 1.351 57.429 56.100 -0.036 0.000 0.959 556 R CB -0.626 29.654 30.300 -0.033 0.000 0.856 556 R HN 0.659 nan 8.270 nan 0.000 0.437 557 L N 1.304 122.497 121.223 -0.050 0.000 1.971 557 L HA -0.203 4.137 4.340 -0.000 0.000 0.215 557 L C 2.122 178.961 176.870 -0.051 0.000 1.072 557 L CA 1.829 56.635 54.840 -0.057 0.000 0.758 557 L CB -0.616 41.396 42.059 -0.079 0.000 0.889 557 L HN 0.244 nan 8.230 nan 0.000 0.433 558 L N -0.833 120.358 121.223 -0.053 0.000 2.127 558 L HA -0.229 4.111 4.340 -0.000 0.000 0.211 558 L C 2.787 179.644 176.870 -0.020 0.000 1.089 558 L CA 1.514 56.332 54.840 -0.036 0.000 0.757 558 L CB -0.629 41.408 42.059 -0.036 0.000 0.899 558 L HN 0.388 nan 8.230 nan 0.000 0.434 559 R N 0.819 121.305 120.500 -0.022 0.000 2.075 559 R HA -0.175 4.165 4.340 -0.000 0.000 0.230 559 R C 2.063 178.357 176.300 -0.010 0.000 1.140 559 R CA 1.776 57.867 56.100 -0.014 0.000 0.928 559 R CB -0.137 30.153 30.300 -0.016 0.000 0.834 559 R HN 0.368 nan 8.270 nan 0.000 0.429 560 E N -0.241 119.951 120.200 -0.013 0.000 2.401 560 E HA -0.144 4.206 4.350 -0.000 0.000 0.199 560 E C 1.649 178.246 176.600 -0.004 0.000 1.023 560 E CA 0.722 57.117 56.400 -0.008 0.000 0.859 560 E CB 0.055 29.749 29.700 -0.010 0.000 0.780 560 E HN 0.468 nan 8.360 nan 0.000 0.523 561 A N 1.407 124.222 122.820 -0.008 0.000 1.898 561 A HA -0.169 4.151 4.320 -0.000 0.000 0.214 561 A C 2.046 179.638 177.584 0.013 0.000 1.183 561 A CA 1.102 53.140 52.037 0.001 0.000 0.622 561 A CB -0.190 18.803 19.000 -0.011 0.000 0.824 561 A HN 0.210 nan 8.150 nan 0.000 0.444 562 E N 0.117 120.322 120.200 0.008 0.000 2.208 562 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 562 E C 1.569 178.174 176.600 0.009 0.000 0.988 562 E CA 1.019 57.426 56.400 0.012 0.000 0.828 562 E CB -0.068 29.637 29.700 0.009 0.000 0.763 562 E HN 0.737 nan 8.360 nan 0.000 0.478 563 E N -0.116 120.087 120.200 0.005 0.000 2.358 563 E HA -0.046 4.304 4.350 -0.000 0.000 0.195 563 E C 1.607 178.209 176.600 0.004 0.000 1.010 563 E CA 0.409 56.810 56.400 0.003 0.000 0.856 563 E CB 0.179 29.879 29.700 -0.000 0.000 0.795 563 E HN 0.015 nan 8.360 nan 0.000 0.504 564 S N -0.667 115.038 115.700 0.008 0.000 2.593 564 S HA 0.115 4.585 4.470 -0.000 0.000 0.217 564 S C 1.442 176.049 174.600 0.013 0.000 0.966 564 S CA 0.688 58.893 58.200 0.009 0.000 0.914 564 S CB -0.122 63.089 63.200 0.019 0.000 0.776 564 S HN 0.467 nan 8.310 nan 0.000 0.523 565 G N 0.428 109.237 108.800 0.015 0.000 2.205 565 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.261 565 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.261 565 G C 0.339 175.256 174.900 0.029 0.000 0.980 565 G CA 0.228 45.339 45.100 0.017 0.000 0.632 565 G HN 1.053 nan 8.290 nan 0.000 0.533 566 A N -0.151 122.693 122.820 0.041 0.000 2.296 566 A HA 0.733 5.053 4.320 -0.000 0.000 0.264 566 A C 0.653 178.267 177.584 0.050 0.000 1.097 566 A CA 0.202 52.275 52.037 0.059 0.000 0.811 566 A CB 0.506 19.559 19.000 0.088 0.000 1.072 566 A HN 1.311 nan 8.150 nan 0.000 0.495 567 I N 0.292 120.897 120.570 0.059 0.000 2.532 567 I HA 0.476 4.646 4.170 -0.000 0.000 0.292 567 I C 0.156 176.310 176.117 0.061 0.000 1.014 567 I CA -0.052 61.280 61.300 0.053 0.000 1.340 567 I CB 1.432 39.464 38.000 0.053 0.000 1.422 567 I HN 0.783 nan 8.210 nan 0.000 0.528 568 T N 4.188 118.776 114.554 0.056 0.000 2.841 568 T HA 0.596 4.946 4.350 -0.000 0.000 0.283 568 T C -0.735 174.019 174.700 0.091 0.000 1.000 568 T CA -0.696 61.443 62.100 0.064 0.000 0.977 568 T CB 1.637 70.529 68.868 0.039 0.000 0.979 568 T HN 0.285 nan 8.240 nan 0.000 0.446 569 V N 2.881 122.880 119.914 0.142 0.000 2.350 569 V HA 0.512 4.632 4.120 -0.000 0.000 0.285 569 V C 0.712 176.937 176.094 0.219 0.000 1.014 569 V CA -0.815 61.615 62.300 0.216 0.000 0.831 569 V CB 1.182 33.201 31.823 0.327 0.000 1.000 569 V HN 1.149 nan 8.190 nan 0.000 0.433 570 S N 3.905 119.701 115.700 0.160 0.000 2.579 570 S HA 0.260 4.730 4.470 -0.000 0.000 0.275 570 S C 1.577 176.272 174.600 0.159 0.000 1.345 570 S CA 0.366 58.633 58.200 0.111 0.000 1.031 570 S CB 1.286 64.556 63.200 0.117 0.000 0.892 570 S HN 1.004 nan 8.310 nan 0.000 0.529 571 G N 1.648 110.480 108.800 0.053 0.000 2.509 571 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.218 571 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.218 571 G C 1.582 176.625 174.900 0.240 0.000 1.124 571 G CA 0.761 45.921 45.100 0.100 0.000 0.776 571 G HN 0.921 nan 8.290 nan 0.000 0.547 572 S N 0.637 116.474 115.700 0.228 0.000 2.402 572 S HA -0.058 4.412 4.470 -0.000 0.000 0.229 572 S C 1.907 176.691 174.600 0.306 0.000 1.021 572 S CA 1.232 59.571 58.200 0.233 0.000 0.974 572 S CB -0.113 63.225 63.200 0.230 0.000 0.800 572 S HN 0.299 nan 8.310 nan 0.000 0.484 573 E N 1.214 121.625 120.200 0.352 0.000 2.077 573 E HA -0.081 4.268 4.350 -0.000 0.000 0.193 573 E C 2.034 178.824 176.600 0.316 0.000 0.989 573 E CA 1.104 57.769 56.400 0.442 0.000 0.800 573 E CB -0.424 29.477 29.700 0.336 0.000 0.746 573 E HN 0.540 nan 8.360 nan 0.000 0.452 574 M N -0.085 119.692 119.600 0.295 0.000 2.236 574 M HA -0.081 4.399 4.480 -0.000 0.000 0.266 574 M C 2.047 178.369 176.300 0.036 0.000 1.070 574 M CA 0.996 56.407 55.300 0.186 0.000 1.137 574 M CB -0.558 32.285 32.600 0.404 0.000 1.378 574 M HN 0.017 nan 8.290 nan 0.000 0.426 575 F N 1.034 120.914 119.950 -0.116 0.000 2.102 575 F HA -0.168 4.359 4.527 -0.000 0.000 0.298 575 F C 2.022 177.578 175.800 -0.405 0.000 1.105 575 F CA 1.852 59.659 58.000 -0.321 0.000 1.239 575 F CB -0.707 37.931 39.000 -0.604 0.000 0.991 575 F HN -0.026 nan 8.300 nan 0.000 0.474 576 V N 1.098 120.747 119.914 -0.441 0.000 2.295 576 V HA -0.294 3.826 4.120 -0.000 0.000 0.246 576 V C 2.537 177.969 176.094 -1.104 0.000 1.049 576 V CA 2.229 64.048 62.300 -0.803 0.000 1.024 576 V CB -0.739 30.419 31.823 -1.109 0.000 0.648 576 V HN 0.278 nan 8.190 nan 0.000 0.447 577 R N 0.580 120.514 120.500 -0.943 0.000 2.080 577 R HA -0.253 4.087 4.340 -0.000 0.000 0.236 577 R C 2.445 178.039 176.300 -1.177 0.000 1.137 577 R CA 2.019 57.377 56.100 -1.237 0.000 0.943 577 R CB -0.509 29.523 30.300 -0.448 0.000 0.846 577 R HN 0.745 nan 8.270 nan 0.000 0.431 578 Q N 0.475 119.868 119.800 -0.677 0.000 2.224 578 Q HA -0.024 4.316 4.340 -0.000 0.000 0.203 578 Q C 1.755 177.410 176.000 -0.574 0.000 0.970 578 Q CA 1.679 57.184 55.803 -0.496 0.000 0.865 578 Q CB -0.291 28.281 28.738 -0.277 0.000 0.922 578 Q HN 0.281 nan 8.270 nan 0.000 0.445 579 A N 0.947 123.288 122.820 -0.798 0.000 1.855 579 A HA -0.117 4.203 4.320 -0.000 0.000 0.215 579 A C 1.980 179.127 177.584 -0.729 0.000 1.191 579 A CA 1.292 52.895 52.037 -0.723 0.000 0.613 579 A CB -1.130 17.267 19.000 -1.005 0.000 0.829 579 A HN 0.674 nan 8.150 nan 0.000 0.442 580 Y N -0.535 119.158 120.300 -1.012 0.000 2.403 580 Y HA -0.003 4.547 4.550 -0.000 0.000 0.291 580 Y C 1.709 177.324 175.900 -0.476 0.000 1.143 580 Y CA 0.861 58.319 58.100 -1.070 0.000 1.257 580 Y CB -0.649 37.233 38.460 -0.964 0.000 0.984 580 Y HN 0.220 nan 8.280 nan 0.000 0.550 581 E N 0.957 121.016 120.200 -0.235 0.000 2.152 581 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 581 E C 1.968 178.401 176.600 -0.280 0.000 0.983 581 E CA 1.043 57.347 56.400 -0.161 0.000 0.818 581 E CB -0.181 29.399 29.700 -0.200 0.000 0.758 581 E HN 0.752 nan 8.360 nan 0.000 0.467 582 Q N -0.453 119.133 119.800 -0.357 0.000 2.123 582 Q HA -0.088 4.252 4.340 -0.000 0.000 0.199 582 Q C 2.080 177.686 176.000 -0.657 0.000 0.966 582 Q CA 0.789 56.219 55.803 -0.621 0.000 0.845 582 Q CB -0.260 28.170 28.738 -0.513 0.000 0.907 582 Q HN 0.226 nan 8.270 nan 0.000 0.439 583 F N 2.239 121.977 119.950 -0.353 0.000 2.065 583 F HA -0.284 4.242 4.527 -0.000 0.000 0.298 583 F C 2.255 177.940 175.800 -0.192 0.000 1.112 583 F CA 2.061 59.993 58.000 -0.114 0.000 1.212 583 F CB -0.144 38.845 39.000 -0.018 0.000 0.975 583 F HN 0.053 nan 8.300 nan 0.000 0.476 584 E N 0.451 120.611 120.200 -0.065 0.000 2.070 584 E HA -0.260 4.090 4.350 -0.000 0.000 0.197 584 E C 2.325 178.724 176.600 -0.335 0.000 1.004 584 E CA 2.082 58.382 56.400 -0.166 0.000 0.805 584 E CB -0.385 29.276 29.700 -0.066 0.000 0.744 584 E HN 0.615 nan 8.360 nan 0.000 0.451 585 I N 0.108 120.418 120.570 -0.433 0.000 2.226 585 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 585 I C 1.957 177.856 176.117 -0.364 0.000 1.100 585 I CA 0.848 61.843 61.300 -0.508 0.000 1.374 585 I CB -0.236 37.331 38.000 -0.722 0.000 1.057 585 I HN 0.143 nan 8.210 nan 0.000 0.413 586 F N 0.828 120.585 119.950 -0.322 0.000 2.113 586 F HA -0.184 4.343 4.527 -0.000 0.000 0.297 586 F C 2.953 178.456 175.800 -0.495 0.000 1.103 586 F CA 1.784 59.581 58.000 -0.339 0.000 1.248 586 F CB -1.545 37.156 39.000 -0.498 0.000 0.999 586 F HN 0.159 nan 8.300 nan 0.000 0.475 587 T N -3.633 110.530 114.554 -0.651 0.000 3.044 587 T HA 0.353 4.703 4.350 -0.000 0.000 0.255 587 T C 1.843 176.292 174.700 -0.419 0.000 1.073 587 T CA 0.757 62.315 62.100 -0.904 0.000 1.125 587 T CB -0.102 67.823 68.868 -1.571 0.000 0.908 587 T HN 0.485 nan 8.240 nan 0.000 0.480 588 G N 1.192 109.789 108.800 -0.338 0.000 2.159 588 G HA2 -0.181 3.778 3.960 -0.000 0.000 0.256 588 G HA3 -0.181 3.778 3.960 -0.000 0.000 0.256 588 G C -0.126 174.688 174.900 -0.143 0.000 0.977 588 G CA 0.234 45.226 45.100 -0.179 0.000 0.652 588 G HN 0.644 nan 8.290 nan 0.000 0.531 589 L N 0.613 121.713 121.223 -0.205 0.000 2.334 589 L HA 0.499 4.839 4.340 -0.000 0.000 0.275 589 L C -1.939 174.977 176.870 0.077 0.000 1.036 589 L CA -2.486 52.334 54.840 -0.033 0.000 0.807 589 L CB 1.503 43.585 42.059 0.039 0.000 1.231 589 L HN -0.173 nan 8.230 nan 0.000 0.438 590 P HA -0.019 nan 4.420 nan 0.000 0.265 590 P C -0.695 176.690 177.300 0.141 0.000 1.193 590 P CA -0.160 62.983 63.100 0.071 0.000 0.765 590 P CB 0.542 32.261 31.700 0.032 0.000 0.823 591 A N 6.077 128.938 122.820 0.069 0.000 2.537 591 A HA 0.183 4.503 4.320 -0.000 0.000 0.260 591 A C -1.683 175.799 177.584 -0.170 0.000 1.082 591 A CA -0.666 51.368 52.037 -0.004 0.000 0.765 591 A CB -0.902 18.040 19.000 -0.097 0.000 1.019 591 A HN 0.395 nan 8.150 nan 0.000 0.507 592 P HA 0.182 nan 4.420 nan 0.000 0.232 592 P C 0.273 177.458 177.300 -0.192 0.000 1.814 592 P CA -0.364 62.623 63.100 -0.187 0.000 1.085 592 P CB 0.438 32.006 31.700 -0.221 0.000 1.901 593 K N 1.400 121.565 120.400 -0.392 0.000 2.020 593 K HA -0.201 4.119 4.320 -0.000 0.000 0.212 593 K C 1.647 178.198 176.600 -0.082 0.000 1.050 593 K CA 1.748 57.688 56.287 -0.577 0.000 0.929 593 K CB -0.111 31.940 32.500 -0.749 0.000 0.714 593 K HN 0.387 nan 8.250 nan 0.000 0.443 594 E N 0.864 121.079 120.200 0.025 0.000 2.085 594 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 594 E C 2.034 178.700 176.600 0.111 0.000 0.994 594 E CA 1.024 57.512 56.400 0.148 0.000 0.801 594 E CB -0.157 29.579 29.700 0.060 0.000 0.743 594 E HN 0.125 nan 8.360 nan 0.000 0.453 595 L N 0.062 121.290 121.223 0.008 0.000 2.017 595 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 595 L C 1.978 178.791 176.870 -0.095 0.000 1.073 595 L CA 1.776 56.582 54.840 -0.057 0.000 0.745 595 L CB -0.567 41.406 42.059 -0.142 0.000 0.894 595 L HN 0.115 nan 8.230 nan 0.000 0.432 596 Y N -1.803 118.385 120.300 -0.188 0.000 2.224 596 Y HA -0.272 4.278 4.550 -0.000 0.000 0.289 596 Y C 2.163 177.953 175.900 -0.184 0.000 1.146 596 Y CA 2.110 60.062 58.100 -0.247 0.000 1.182 596 Y CB -0.497 37.770 38.460 -0.321 0.000 0.983 596 Y HN 0.230 nan 8.280 nan 0.000 0.524 597 W N -0.166 121.214 121.300 0.132 0.000 2.388 597 W HA -0.199 4.461 4.660 -0.000 0.000 0.294 597 W C 2.658 179.195 176.519 0.029 0.000 1.212 597 W CA 1.220 58.617 57.345 0.085 0.000 1.271 597 W CB -0.397 29.103 29.460 0.066 0.000 1.126 597 W HN 0.025 nan 8.180 nan 0.000 0.535 598 Q N 0.865 120.794 119.800 0.214 0.000 2.016 598 Q HA -0.208 4.132 4.340 -0.000 0.000 0.200 598 Q C 2.045 178.072 176.000 0.045 0.000 0.978 598 Q CA 1.895 57.755 55.803 0.096 0.000 0.833 598 Q CB -0.513 28.255 28.738 0.050 0.000 0.895 598 Q HN 0.358 nan 8.270 nan 0.000 0.427 599 I N 0.556 121.137 120.570 0.019 0.000 2.208 599 I HA -0.319 3.850 4.170 -0.000 0.000 0.245 599 I C 2.589 178.758 176.117 0.087 0.000 1.097 599 I CA 1.148 62.489 61.300 0.067 0.000 1.363 599 I CB -0.249 37.669 38.000 -0.136 0.000 1.051 599 I HN 0.312 nan 8.210 nan 0.000 0.413 600 M N 0.247 119.883 119.600 0.061 0.000 2.159 600 M HA -0.200 4.280 4.480 -0.000 0.000 0.263 600 M C 2.452 178.816 176.300 0.105 0.000 1.063 600 M CA 1.820 57.184 55.300 0.107 0.000 1.110 600 M CB -0.430 32.258 32.600 0.147 0.000 1.374 600 M HN 0.151 nan 8.290 nan 0.000 0.411 601 S N -0.563 115.194 115.700 0.096 0.000 2.368 601 S HA -0.147 4.322 4.470 -0.000 0.000 0.224 601 S C 2.075 176.648 174.600 -0.046 0.000 1.029 601 S CA 1.610 59.840 58.200 0.050 0.000 0.988 601 S CB -0.267 62.968 63.200 0.058 0.000 0.838 601 S HN 0.609 nan 8.310 nan 0.000 0.462 602 K N -1.560 118.750 120.400 -0.150 0.000 2.262 602 K HA 0.055 4.375 4.320 -0.000 0.000 0.200 602 K C 0.838 177.124 176.600 -0.524 0.000 1.049 602 K CA 0.812 56.858 56.287 -0.402 0.000 0.979 602 K CB 0.026 32.135 32.500 -0.652 0.000 0.773 602 K HN 0.489 nan 8.250 nan 0.000 0.474 603 Y N -1.798 118.497 120.300 -0.008 0.000 2.430 603 Y HA 0.306 4.856 4.550 -0.000 0.000 0.254 603 Y C 1.533 177.436 175.900 0.006 0.000 1.088 603 Y CA 0.006 58.098 58.100 -0.013 0.000 1.267 603 Y CB 1.175 39.605 38.460 -0.050 0.000 1.204 603 Y HN 0.061 nan 8.280 nan 0.000 0.515 604 G N -0.690 108.195 108.800 0.141 0.000 3.805 604 G HA2 0.103 4.063 3.960 -0.000 0.000 0.290 604 G HA3 0.103 4.063 3.960 -0.000 0.000 0.290 604 G C 1.088 176.047 174.900 0.097 0.000 1.077 604 G CA 0.487 45.660 45.100 0.122 0.000 0.852 604 G HN 0.282 nan 8.290 nan 0.000 0.531 605 S N -0.151 115.591 115.700 0.071 0.000 2.458 605 S HA 0.186 4.656 4.470 -0.000 0.000 0.223 605 S C 1.122 175.745 174.600 0.038 0.000 1.019 605 S CA -0.389 57.841 58.200 0.050 0.000 0.937 605 S CB 0.160 63.376 63.200 0.026 0.000 0.788 605 S HN 0.282 nan 8.310 nan 0.000 0.511 606 R N 2.041 122.566 120.500 0.042 0.000 2.537 606 R HA 0.278 4.617 4.340 -0.000 0.000 0.280 606 R C -0.062 176.240 176.300 0.003 0.000 1.058 606 R CA 0.062 56.176 56.100 0.024 0.000 1.057 606 R CB 0.371 30.689 30.300 0.031 0.000 0.973 606 R HN 0.458 nan 8.270 nan 0.000 0.438 607 E N 1.722 121.911 120.200 -0.018 0.000 2.280 607 E HA 0.097 4.447 4.350 -0.000 0.000 0.261 607 E C 0.234 176.791 176.600 -0.072 0.000 1.088 607 E CA -0.672 55.698 56.400 -0.050 0.000 0.915 607 E CB 0.619 30.296 29.700 -0.039 0.000 1.141 607 E HN 0.487 nan 8.360 nan 0.000 0.433 608 N N 0.029 118.660 118.700 -0.114 0.000 2.725 608 N HA -0.206 4.534 4.740 -0.000 0.000 0.249 608 N C -0.691 174.725 175.510 -0.156 0.000 1.103 608 N CA 0.627 53.618 53.050 -0.098 0.000 0.707 608 N CB -1.400 37.102 38.487 0.023 0.000 1.043 608 N HN 0.361 nan 8.380 nan 0.000 0.553 609 L N 0.541 121.575 121.223 -0.315 0.000 2.292 609 L HA 0.372 4.712 4.340 -0.000 0.000 0.284 609 L C -0.188 176.275 176.870 -0.679 0.000 1.065 609 L CA -0.454 54.141 54.840 -0.408 0.000 0.806 609 L CB 0.568 42.417 42.059 -0.350 0.000 1.175 609 L HN -0.011 nan 8.230 nan 0.000 0.431 610 Y N 2.374 122.360 120.300 -0.524 0.000 2.346 610 Y HA 0.403 4.953 4.550 -0.000 0.000 0.332 610 Y C -0.597 174.954 175.900 -0.581 0.000 0.985 610 Y CA -0.515 57.351 58.100 -0.390 0.000 1.112 610 Y CB 1.554 39.904 38.460 -0.183 0.000 1.170 610 Y HN 0.284 nan 8.280 nan 0.000 0.447 611 F N 3.898 123.842 119.950 -0.010 0.000 2.313 611 F HA 0.507 5.034 4.527 -0.000 0.000 0.369 611 F C 0.123 175.845 175.800 -0.129 0.000 1.109 611 F CA -0.514 57.422 58.000 -0.107 0.000 1.132 611 F CB 0.714 39.529 39.000 -0.308 0.000 1.291 611 F HN 0.480 nan 8.300 nan 0.000 0.496 612 Q N 0.000 119.853 119.800 0.089 0.000 2.315 612 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 612 Q CA 0.000 55.844 55.803 0.068 0.000 1.022 612 Q CB 0.000 28.770 28.738 0.054 0.000 1.108 612 Q HN 0.000 nan 8.270 nan 0.000 0.481