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 1qay_1_A DATA FIRST_RESID 4 DATA SEQUENCE DSRLPAFRNL SPAARLDHIG QLLGLSHDDV SLLANAGALP MDIANGMIEN DATA SEQUENCE VIGTFELPYA VASNFQINGR DVLVPLVVEE PSIVAAASYM AKLARANGGF DATA SEQUENCE TTSSSAPLMH AQVQIVGIQD PLNARLSLLR RKDEIIELAN RKDQLLNSLG DATA SEQUENCE GGCRDIEVHT FADTPRGPML VAHLIVDVRD AMGANTVNTM AEAVAPLMEA DATA SEQUENCE ITGGQVRLRI LSNLADLRLA RAQVRITPQQ LETAEFSGEA VIEGILDAYA DATA SEQUENCE FAAVDPYRAA THNKGIMNGI DPLIVATGND WRAVEAGAHA YACRSGHYGS DATA SEQUENCE LTTWEKDNNG HLVGTLEMPM PVGLVGGATK THPLAQLSLR ILGVKTAQAL DATA SEQUENCE AEIAVAVGLA QNLGAMRALA TEGIQRGHMA LHAR 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 4 D HA 0.000 nan 4.640 nan 0.000 0.175 4 D C 0.000 176.281 176.300 -0.032 0.000 2.045 4 D CA 0.000 53.996 54.000 -0.006 0.000 0.868 4 D CB 0.000 40.804 40.800 0.007 0.000 0.688 5 S N 2.701 118.386 115.700 -0.025 0.000 2.470 5 S HA 0.088 4.558 4.470 -0.000 0.000 0.225 5 S C 0.922 175.480 174.600 -0.069 0.000 1.006 5 S CA -0.056 58.116 58.200 -0.047 0.000 0.934 5 S CB -0.090 63.114 63.200 0.005 0.000 0.778 5 S HN 0.440 nan 8.310 nan 0.000 0.517 6 R N 1.267 121.747 120.500 -0.034 0.000 2.484 6 R HA 0.332 4.672 4.340 -0.000 0.000 0.293 6 R C -0.812 175.470 176.300 -0.030 0.000 1.023 6 R CA 0.313 56.400 56.100 -0.021 0.000 1.037 6 R CB 0.109 30.415 30.300 0.009 0.000 0.951 6 R HN 0.363 nan 8.270 nan 0.000 0.418 7 L N 5.795 126.996 121.223 -0.036 0.000 2.433 7 L HA 0.336 4.676 4.340 -0.000 0.000 0.256 7 L C -2.231 174.731 176.870 0.154 0.000 1.063 7 L CA -2.278 52.570 54.840 0.014 0.000 0.922 7 L CB 1.597 43.468 42.059 -0.313 0.000 1.238 7 L HN 0.331 nan 8.230 nan 0.000 0.466 8 P HA 0.043 nan 4.420 nan 0.000 0.264 8 P C 0.652 178.051 177.300 0.165 0.000 1.193 8 P CA 0.218 63.396 63.100 0.131 0.000 0.763 8 P CB 0.944 32.703 31.700 0.097 0.000 0.810 9 A N 2.499 125.396 122.820 0.128 0.000 2.799 9 A HA -0.278 4.042 4.320 -0.000 0.000 0.287 9 A C 1.138 178.815 177.584 0.156 0.000 1.484 9 A CA 0.972 53.072 52.037 0.106 0.000 0.813 9 A CB -2.712 16.324 19.000 0.059 0.000 1.009 9 A HN 0.541 nan 8.150 nan 0.000 0.545 10 F N 0.887 120.873 119.950 0.059 0.000 2.146 10 F HA -0.154 4.373 4.527 -0.000 0.000 0.298 10 F C 2.341 178.169 175.800 0.047 0.000 1.096 10 F CA 2.165 60.211 58.000 0.076 0.000 1.275 10 F CB -0.192 38.856 39.000 0.080 0.000 1.008 10 F HN 0.590 nan 8.300 nan 0.000 0.480 11 R N -0.096 120.494 120.500 0.151 0.000 2.189 11 R HA -0.104 4.236 4.340 -0.000 0.000 0.223 11 R C 1.417 177.699 176.300 -0.029 0.000 1.092 11 R CA 1.730 57.856 56.100 0.045 0.000 0.989 11 R CB -0.843 29.497 30.300 0.067 0.000 0.876 11 R HN 0.275 nan 8.270 nan 0.000 0.457 12 N N 0.440 119.128 118.700 -0.020 0.000 2.415 12 N HA 0.014 4.754 4.740 -0.000 0.000 0.176 12 N C 0.076 175.545 175.510 -0.068 0.000 1.042 12 N CA 0.142 53.171 53.050 -0.034 0.000 0.902 12 N CB 0.077 38.557 38.487 -0.012 0.000 0.986 12 N HN 0.079 nan 8.380 nan 0.000 0.447 13 L N 1.167 122.324 121.223 -0.110 0.000 2.483 13 L HA 0.022 4.362 4.340 -0.000 0.000 0.275 13 L C 0.999 177.766 176.870 -0.173 0.000 1.220 13 L CA 0.464 55.214 54.840 -0.149 0.000 0.833 13 L CB 0.491 42.414 42.059 -0.226 0.000 1.102 13 L HN -0.100 nan 8.230 nan 0.000 0.490 14 S N 2.798 118.421 115.700 -0.128 0.000 2.592 14 S HA 0.272 4.742 4.470 -0.000 0.000 0.271 14 S C -1.553 172.967 174.600 -0.133 0.000 1.326 14 S CA -1.119 57.017 58.200 -0.107 0.000 1.024 14 S CB 0.851 64.010 63.200 -0.068 0.000 0.921 14 S HN 0.496 nan 8.310 nan 0.000 0.527 15 P HA -0.157 nan 4.420 nan 0.000 0.216 15 P C 1.209 178.471 177.300 -0.064 0.000 1.157 15 P CA 2.053 65.100 63.100 -0.089 0.000 0.880 15 P CB -0.034 31.636 31.700 -0.051 0.000 0.791 16 A N -0.453 122.340 122.820 -0.045 0.000 1.933 16 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 16 A C 2.314 179.890 177.584 -0.014 0.000 1.175 16 A CA 2.072 54.096 52.037 -0.021 0.000 0.628 16 A CB -1.585 17.404 19.000 -0.018 0.000 0.814 16 A HN 0.203 nan 8.150 nan 0.000 0.444 17 A N -0.186 122.611 122.820 -0.038 0.000 1.930 17 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 17 A C 2.246 179.831 177.584 0.002 0.000 1.175 17 A CA 1.455 53.476 52.037 -0.026 0.000 0.627 17 A CB -0.401 18.565 19.000 -0.056 0.000 0.815 17 A HN 0.569 nan 8.150 nan 0.000 0.443 18 R N -1.228 119.214 120.500 -0.096 0.000 2.062 18 R HA -0.040 4.300 4.340 -0.000 0.000 0.229 18 R C 2.070 178.460 176.300 0.151 0.000 1.128 18 R CA 1.296 57.318 56.100 -0.130 0.000 0.960 18 R CB -0.575 29.390 30.300 -0.558 0.000 0.855 18 R HN 0.455 nan 8.270 nan 0.000 0.432 19 L N 1.512 122.784 121.223 0.081 0.000 2.131 19 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 19 L C 1.507 178.442 176.870 0.110 0.000 1.092 19 L CA 1.920 56.820 54.840 0.099 0.000 0.759 19 L CB -0.455 41.631 42.059 0.046 0.000 0.903 19 L HN 0.077 nan 8.230 nan 0.000 0.435 20 D N -2.262 118.203 120.400 0.109 0.000 2.137 20 D HA -0.229 4.411 4.640 -0.000 0.000 0.202 20 D C 2.180 178.591 176.300 0.185 0.000 0.970 20 D CA 0.867 54.934 54.000 0.112 0.000 0.837 20 D CB -0.021 40.824 40.800 0.076 0.000 0.981 20 D HN 0.482 nan 8.370 nan 0.000 0.475 21 H N 0.486 119.620 119.070 0.107 0.000 2.321 21 H HA -0.059 4.497 4.556 -0.000 0.000 0.300 21 H C 1.924 177.337 175.328 0.142 0.000 1.087 21 H CA 1.249 57.382 56.048 0.142 0.000 1.319 21 H CB -0.391 29.510 29.762 0.231 0.000 1.379 21 H HN 0.159 nan 8.280 nan 0.000 0.501 22 I N 0.293 120.966 120.570 0.171 0.000 2.361 22 I HA -0.136 4.034 4.170 -0.000 0.000 0.251 22 I C 2.639 178.789 176.117 0.054 0.000 1.133 22 I CA 1.180 62.504 61.300 0.040 0.000 1.413 22 I CB -1.663 36.405 38.000 0.114 0.000 1.073 22 I HN 0.376 nan 8.210 nan 0.000 0.424 23 G N 1.587 110.442 108.800 0.093 0.000 2.484 23 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.215 23 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.215 23 G C 1.432 176.373 174.900 0.068 0.000 1.219 23 G CA 0.801 45.944 45.100 0.072 0.000 0.791 23 G HN 0.611 nan 8.290 nan 0.000 0.550 24 Q N -0.066 119.790 119.800 0.093 0.000 2.378 24 Q HA 0.233 4.573 4.340 -0.000 0.000 0.205 24 Q C 2.378 178.425 176.000 0.077 0.000 0.954 24 Q CA 0.430 56.283 55.803 0.083 0.000 0.901 24 Q CB -0.244 28.548 28.738 0.091 0.000 0.981 24 Q HN 0.480 nan 8.270 nan 0.000 0.483 25 L N 0.469 121.738 121.223 0.077 0.000 2.005 25 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 25 L C 2.034 178.912 176.870 0.014 0.000 1.072 25 L CA 1.130 55.992 54.840 0.036 0.000 0.744 25 L CB 0.020 42.047 42.059 -0.052 0.000 0.895 25 L HN 0.294 nan 8.230 nan 0.000 0.433 26 L N -0.577 120.650 121.223 0.007 0.000 2.492 26 L HA 0.152 4.492 4.340 -0.000 0.000 0.223 26 L C 1.266 178.145 176.870 0.015 0.000 1.132 26 L CA 0.542 55.385 54.840 0.004 0.000 0.850 26 L CB -0.410 41.649 42.059 0.000 0.000 0.966 26 L HN 0.517 nan 8.230 nan 0.000 0.454 27 G N 1.076 109.891 108.800 0.026 0.000 2.225 27 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.264 27 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.264 27 G C 0.136 175.051 174.900 0.025 0.000 1.060 27 G CA -0.257 44.861 45.100 0.029 0.000 0.833 27 G HN 0.207 nan 8.290 nan 0.000 0.498 28 L N 1.211 122.449 121.223 0.025 0.000 2.456 28 L HA 0.367 4.707 4.340 -0.000 0.000 0.272 28 L C 1.628 178.510 176.870 0.019 0.000 1.189 28 L CA 0.210 55.058 54.840 0.014 0.000 0.846 28 L CB 0.794 42.860 42.059 0.012 0.000 1.111 28 L HN 0.547 nan 8.230 nan 0.000 0.475 29 S N 1.156 116.852 115.700 -0.007 0.000 2.608 29 S HA 0.026 4.496 4.470 -0.000 0.000 0.261 29 S C 1.311 175.890 174.600 -0.035 0.000 1.314 29 S CA -0.375 57.819 58.200 -0.009 0.000 0.992 29 S CB 0.656 63.808 63.200 -0.080 0.000 0.935 29 S HN 0.791 nan 8.310 nan 0.000 0.564 30 H N 0.251 119.325 119.070 0.007 0.000 2.421 30 H HA -0.081 4.475 4.556 -0.000 0.000 0.298 30 H C 0.842 176.170 175.328 0.000 0.000 1.087 30 H CA 1.547 57.598 56.048 0.005 0.000 1.330 30 H CB -0.908 28.857 29.762 0.004 0.000 1.388 30 H HN 0.650 nan 8.280 nan 0.000 0.526 31 D N 1.221 121.128 120.400 -0.822 0.000 2.221 31 D HA -0.120 4.520 4.640 -0.000 0.000 0.204 31 D C 1.454 177.635 176.300 -0.199 0.000 0.982 31 D CA 1.125 54.836 54.000 -0.483 0.000 0.857 31 D CB -0.006 40.517 40.800 -0.461 0.000 0.934 31 D HN 0.524 nan 8.370 nan 0.000 0.475 32 D N 0.030 120.338 120.400 -0.154 0.000 2.144 32 D HA -0.049 4.591 4.640 -0.000 0.000 0.207 32 D C 2.392 178.655 176.300 -0.061 0.000 0.970 32 D CA 0.303 54.253 54.000 -0.084 0.000 0.853 32 D CB -0.211 40.554 40.800 -0.059 0.000 1.007 32 D HN 0.050 nan 8.370 nan 0.000 0.469 33 V N 1.449 121.341 119.914 -0.037 0.000 2.469 33 V HA -0.201 3.919 4.120 -0.000 0.000 0.251 33 V C 2.451 178.535 176.094 -0.017 0.000 1.064 33 V CA 1.515 63.808 62.300 -0.012 0.000 1.066 33 V CB -0.524 31.314 31.823 0.025 0.000 0.667 33 V HN 0.109 nan 8.190 nan 0.000 0.461 34 S N -0.053 115.639 115.700 -0.014 0.000 2.402 34 S HA -0.042 4.428 4.470 -0.000 0.000 0.229 34 S C 1.854 176.437 174.600 -0.028 0.000 1.021 34 S CA 1.181 59.377 58.200 -0.006 0.000 0.974 34 S CB -0.291 62.916 63.200 0.012 0.000 0.800 34 S HN 0.506 nan 8.310 nan 0.000 0.484 35 L N 0.580 121.774 121.223 -0.048 0.000 2.131 35 L HA -0.043 4.297 4.340 -0.000 0.000 0.210 35 L C 1.964 178.784 176.870 -0.083 0.000 1.092 35 L CA 1.014 55.820 54.840 -0.056 0.000 0.759 35 L CB -0.372 41.651 42.059 -0.061 0.000 0.903 35 L HN 0.310 nan 8.230 nan 0.000 0.435 36 L N -1.397 119.765 121.223 -0.101 0.000 2.357 36 L HA 0.085 4.425 4.340 -0.000 0.000 0.211 36 L C 2.744 179.572 176.870 -0.070 0.000 1.075 36 L CA 0.487 55.248 54.840 -0.132 0.000 0.830 36 L CB -0.389 41.572 42.059 -0.162 0.000 0.996 36 L HN 0.123 nan 8.230 nan 0.000 0.467 37 A N 0.195 122.991 122.820 -0.041 0.000 1.877 37 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 37 A C 0.988 178.560 177.584 -0.021 0.000 1.186 37 A CA 1.076 53.100 52.037 -0.021 0.000 0.620 37 A CB -0.363 18.633 19.000 -0.006 0.000 0.822 37 A HN 0.400 nan 8.150 nan 0.000 0.443 38 N N -0.693 117.994 118.700 -0.021 0.000 2.430 38 N HA 0.523 5.263 4.740 -0.000 0.000 0.298 38 N C -0.488 175.010 175.510 -0.021 0.000 1.130 38 N CA 0.103 53.143 53.050 -0.017 0.000 0.894 38 N CB 1.632 40.113 38.487 -0.010 0.000 1.209 38 N HN 0.304 nan 8.380 nan 0.000 0.503 39 A N -0.181 122.628 122.820 -0.018 0.000 2.371 39 A HA 0.573 4.893 4.320 -0.000 0.000 0.257 39 A C 1.071 178.647 177.584 -0.012 0.000 1.089 39 A CA 0.397 52.424 52.037 -0.016 0.000 0.794 39 A CB -0.102 18.887 19.000 -0.019 0.000 1.029 39 A HN 0.918 nan 8.150 nan 0.000 0.488 40 G N -0.397 108.399 108.800 -0.008 0.000 2.167 40 G HA2 0.153 4.113 3.960 -0.000 0.000 0.194 40 G HA3 0.153 4.113 3.960 -0.000 0.000 0.194 40 G C 0.812 175.704 174.900 -0.013 0.000 1.027 40 G CA 0.633 45.728 45.100 -0.009 0.000 0.717 40 G HN 1.882 nan 8.290 nan 0.000 0.501 41 A N -0.983 121.835 122.820 -0.003 0.000 2.070 41 A HA 0.402 4.722 4.320 -0.000 0.000 0.220 41 A C 1.360 178.926 177.584 -0.030 0.000 1.159 41 A CA 1.652 53.689 52.037 -0.001 0.000 0.656 41 A CB 0.073 19.090 19.000 0.028 0.000 0.800 41 A HN 1.400 nan 8.150 nan 0.000 0.453 42 L N 2.162 123.345 121.223 -0.067 0.000 2.272 42 L HA 0.387 4.727 4.340 -0.000 0.000 0.284 42 L C -2.289 174.523 176.870 -0.096 0.000 1.045 42 L CA -2.408 52.330 54.840 -0.171 0.000 0.842 42 L CB 0.922 42.793 42.059 -0.312 0.000 1.224 42 L HN 0.022 nan 8.230 nan 0.000 0.430 43 P HA -0.008 nan 4.420 nan 0.000 0.266 43 P C 0.726 178.000 177.300 -0.043 0.000 1.195 43 P CA -0.346 62.726 63.100 -0.046 0.000 0.768 43 P CB 0.769 32.446 31.700 -0.038 0.000 0.838 44 M N 1.741 121.325 119.600 -0.026 0.000 2.358 44 M HA -0.122 4.358 4.480 -0.000 0.000 0.264 44 M C 1.559 177.849 176.300 -0.017 0.000 1.064 44 M CA 1.586 56.876 55.300 -0.017 0.000 1.093 44 M CB -1.196 31.399 32.600 -0.008 0.000 1.401 44 M HN 0.502 nan 8.290 nan 0.000 0.440 45 D N -0.762 119.627 120.400 -0.019 0.000 2.224 45 D HA -0.127 4.513 4.640 -0.000 0.000 0.205 45 D C 1.911 178.199 176.300 -0.019 0.000 0.965 45 D CA 0.950 54.940 54.000 -0.015 0.000 0.852 45 D CB -0.258 40.534 40.800 -0.013 0.000 0.947 45 D HN 0.384 nan 8.370 nan 0.000 0.494 46 I N 1.041 121.593 120.570 -0.031 0.000 2.585 46 I HA -0.053 4.117 4.170 -0.000 0.000 0.254 46 I C 2.753 178.847 176.117 -0.039 0.000 1.129 46 I CA 0.608 61.885 61.300 -0.038 0.000 1.455 46 I CB -0.113 37.853 38.000 -0.058 0.000 1.111 46 I HN -0.034 nan 8.210 nan 0.000 0.433 47 A N 0.865 123.658 122.820 -0.044 0.000 1.972 47 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 47 A C 1.929 179.508 177.584 -0.008 0.000 1.169 47 A CA 2.004 54.023 52.037 -0.030 0.000 0.635 47 A CB -0.694 18.292 19.000 -0.023 0.000 0.810 47 A HN 0.431 nan 8.150 nan 0.000 0.446 48 N N -0.252 118.443 118.700 -0.008 0.000 2.461 48 N HA 0.043 4.783 4.740 -0.000 0.000 0.188 48 N C 1.350 176.858 175.510 -0.003 0.000 1.134 48 N CA 1.083 54.132 53.050 -0.002 0.000 0.878 48 N CB -0.180 38.305 38.487 -0.002 0.000 0.972 48 N HN 0.304 nan 8.380 nan 0.000 0.456 49 G N -0.820 107.976 108.800 -0.006 0.000 2.796 49 G HA2 0.061 4.021 3.960 -0.000 0.000 0.210 49 G HA3 0.061 4.021 3.960 -0.000 0.000 0.210 49 G C 1.343 176.241 174.900 -0.002 0.000 1.146 49 G CA 0.003 45.100 45.100 -0.005 0.000 0.779 49 G HN 0.234 nan 8.290 nan 0.000 0.535 50 M N 0.166 119.766 119.600 -0.000 0.000 2.171 50 M HA 0.269 4.749 4.480 -0.000 0.000 0.260 50 M C 0.594 176.896 176.300 0.004 0.000 1.087 50 M CA 0.965 56.268 55.300 0.006 0.000 1.154 50 M CB 0.007 32.617 32.600 0.017 0.000 1.331 50 M HN -0.060 nan 8.290 nan 0.000 0.431 51 I N -0.002 120.572 120.570 0.007 0.000 3.076 51 I HA 0.302 4.472 4.170 -0.000 0.000 0.313 51 I C -0.346 175.773 176.117 0.003 0.000 1.053 51 I CA -0.701 60.601 61.300 0.005 0.000 1.048 51 I CB 1.100 39.108 38.000 0.013 0.000 1.264 51 I HN 0.070 nan 8.210 nan 0.000 0.498 52 E N 1.367 121.567 120.200 0.000 0.000 2.214 52 E HA 0.379 4.729 4.350 -0.000 0.000 0.274 52 E C -0.625 175.977 176.600 0.004 0.000 0.977 52 E CA -0.276 56.124 56.400 0.000 0.000 0.827 52 E CB 0.388 30.085 29.700 -0.004 0.000 1.130 52 E HN 0.456 nan 8.360 nan 0.000 0.394 53 N N -0.398 118.305 118.700 0.005 0.000 2.754 53 N HA -0.147 4.593 4.740 -0.000 0.000 0.248 53 N C -1.211 174.307 175.510 0.013 0.000 1.093 53 N CA 0.421 53.475 53.050 0.008 0.000 0.699 53 N CB -1.567 36.924 38.487 0.007 0.000 1.016 53 N HN 0.182 nan 8.380 nan 0.000 0.552 54 V N 1.409 121.332 119.914 0.014 0.000 2.521 54 V HA 0.117 4.237 4.120 -0.000 0.000 0.286 54 V C 1.902 178.009 176.094 0.021 0.000 1.034 54 V CA 0.467 62.779 62.300 0.021 0.000 1.045 54 V CB 0.731 32.565 31.823 0.018 0.000 0.974 54 V HN 0.425 nan 8.190 nan 0.000 0.480 55 I N 1.340 121.927 120.570 0.029 0.000 4.327 55 I HA 0.728 4.898 4.170 -0.000 0.000 0.331 55 I C 0.673 176.810 176.117 0.032 0.000 1.348 55 I CA 0.401 61.718 61.300 0.028 0.000 1.152 55 I CB 0.745 38.763 38.000 0.029 0.000 1.151 55 I HN 0.689 nan 8.210 nan 0.000 0.410 56 G N 1.379 110.204 108.800 0.041 0.000 2.356 56 G HA2 0.422 4.382 3.960 -0.000 0.000 0.281 56 G HA3 0.422 4.382 3.960 -0.000 0.000 0.281 56 G C -1.140 173.798 174.900 0.064 0.000 1.246 56 G CA 0.168 45.294 45.100 0.044 0.000 0.889 56 G HN 0.270 nan 8.290 nan 0.000 0.486 57 T N -2.244 112.354 114.554 0.073 0.000 2.900 57 T HA 0.704 5.054 4.350 -0.000 0.000 0.295 57 T C -1.494 173.297 174.700 0.151 0.000 1.044 57 T CA -0.558 61.606 62.100 0.108 0.000 0.995 57 T CB 2.277 71.187 68.868 0.070 0.000 1.072 57 T HN 0.977 nan 8.240 nan 0.000 0.473 58 F N 2.238 122.215 119.950 0.045 0.000 2.458 58 F HA 0.540 5.067 4.527 -0.000 0.000 0.336 58 F C 0.066 175.898 175.800 0.053 0.000 1.114 58 F CA -0.645 57.382 58.000 0.045 0.000 0.987 58 F CB 1.298 40.328 39.000 0.050 0.000 1.130 58 F HN 0.827 nan 8.300 nan 0.000 0.458 59 E N 6.395 126.475 120.200 -0.199 0.000 2.212 59 E HA 0.625 4.975 4.350 -0.000 0.000 0.268 59 E C -1.824 174.741 176.600 -0.058 0.000 0.902 59 E CA -0.892 55.485 56.400 -0.038 0.000 0.779 59 E CB 2.829 32.496 29.700 -0.054 0.000 1.172 59 E HN 0.624 nan 8.360 nan 0.000 0.409 60 L N 1.862 123.135 121.223 0.083 0.000 2.354 60 L HA 0.495 4.835 4.340 -0.000 0.000 0.264 60 L C -2.305 174.607 176.870 0.069 0.000 1.008 60 L CA -2.415 52.475 54.840 0.083 0.000 0.819 60 L CB 2.004 44.138 42.059 0.125 0.000 1.339 60 L HN 0.484 nan 8.230 nan 0.000 0.420 61 P HA -0.029 nan 4.420 nan 0.000 0.266 61 P C -1.604 175.757 177.300 0.102 0.000 1.195 61 P CA 0.266 63.402 63.100 0.060 0.000 0.768 61 P CB 0.108 31.821 31.700 0.022 0.000 0.838 62 Y N 2.499 122.796 120.300 -0.004 0.000 2.575 62 Y HA 0.570 5.120 4.550 -0.000 0.000 0.326 62 Y C -0.267 175.641 175.900 0.013 0.000 0.979 62 Y CA -0.685 57.413 58.100 -0.002 0.000 1.286 62 Y CB 0.363 38.821 38.460 -0.003 0.000 1.093 62 Y HN 0.486 nan 8.280 nan 0.000 0.501 63 A N 3.954 126.736 122.820 -0.063 0.000 2.261 63 A HA 0.858 5.178 4.320 -0.000 0.000 0.323 63 A C -1.406 176.139 177.584 -0.065 0.000 1.107 63 A CA -0.714 51.330 52.037 0.011 0.000 0.883 63 A CB 1.316 20.323 19.000 0.012 0.000 1.251 63 A HN 0.475 nan 8.150 nan 0.000 0.502 64 V N 0.599 120.551 119.914 0.063 0.000 2.524 64 V HA 0.559 4.679 4.120 -0.000 0.000 0.297 64 V C 0.416 176.519 176.094 0.014 0.000 1.035 64 V CA -0.335 61.974 62.300 0.015 0.000 0.867 64 V CB 1.070 32.933 31.823 0.067 0.000 1.004 64 V HN 1.269 nan 8.190 nan 0.000 0.426 65 A N 4.306 127.117 122.820 -0.016 0.000 2.351 65 A HA 0.809 5.129 4.320 -0.000 0.000 0.257 65 A C 0.562 178.181 177.584 0.058 0.000 1.087 65 A CA 0.201 52.280 52.037 0.069 0.000 0.798 65 A CB 0.616 19.700 19.000 0.140 0.000 1.033 65 A HN 1.121 nan 8.150 nan 0.000 0.488 66 S N 0.696 116.443 115.700 0.078 0.000 2.759 66 S HA 0.621 5.091 4.470 -0.000 0.000 0.310 66 S C 0.446 175.083 174.600 0.061 0.000 1.123 66 S CA -0.275 57.928 58.200 0.004 0.000 0.959 66 S CB 1.230 64.354 63.200 -0.126 0.000 1.172 66 S HN 0.861 nan 8.310 nan 0.000 0.539 67 N N -1.334 117.374 118.700 0.012 0.000 2.951 67 N HA -0.179 4.561 4.740 -0.000 0.000 0.218 67 N C -0.639 174.874 175.510 0.004 0.000 0.858 67 N CA 1.267 54.311 53.050 -0.009 0.000 1.050 67 N CB -1.605 36.856 38.487 -0.044 0.000 1.012 67 N HN 0.650 nan 8.380 nan 0.000 0.611 68 F N 2.001 121.961 119.950 0.017 0.000 2.602 68 F HA 0.023 4.550 4.527 0.000 0.000 0.385 68 F C 1.246 177.072 175.800 0.043 0.000 1.063 68 F CA 0.998 59.009 58.000 0.018 0.000 1.233 68 F CB 0.361 39.298 39.000 -0.106 0.000 1.067 68 F HN 0.010 nan 8.300 nan 0.000 0.564 69 Q N 4.965 124.942 119.800 0.295 0.000 2.294 69 Q HA 0.387 4.727 4.340 -0.000 0.000 0.264 69 Q C -1.644 174.519 176.000 0.271 0.000 0.992 69 Q CA -0.659 55.273 55.803 0.215 0.000 0.747 69 Q CB 0.943 29.765 28.738 0.139 0.000 1.262 69 Q HN 0.427 nan 8.270 nan 0.000 0.452 70 I N 4.351 125.025 120.570 0.173 0.000 2.328 70 I HA 0.262 4.432 4.170 -0.000 0.000 0.287 70 I C -0.037 176.137 176.117 0.095 0.000 1.012 70 I CA -0.350 61.039 61.300 0.149 0.000 1.195 70 I CB 0.922 38.967 38.000 0.075 0.000 1.350 70 I HN 0.845 nan 8.210 nan 0.000 0.464 71 N N 5.536 124.293 118.700 0.095 0.000 2.727 71 N HA -0.222 4.518 4.740 -0.000 0.000 0.249 71 N C 1.191 176.726 175.510 0.042 0.000 1.048 71 N CA 1.116 54.200 53.050 0.056 0.000 0.714 71 N CB -0.770 37.740 38.487 0.039 0.000 0.959 71 N HN 1.144 nan 8.380 nan 0.000 0.544 72 G N -0.568 108.261 108.800 0.048 0.000 2.640 72 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.226 72 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.226 72 G C 0.233 175.155 174.900 0.037 0.000 1.222 72 G CA 0.578 45.698 45.100 0.035 0.000 0.729 72 G HN 0.584 nan 8.290 nan 0.000 0.516 73 R N 2.395 122.917 120.500 0.036 0.000 2.449 73 R HA 0.429 4.769 4.340 -0.000 0.000 0.296 73 R C -0.421 175.904 176.300 0.041 0.000 1.047 73 R CA 0.111 56.230 56.100 0.030 0.000 1.018 73 R CB 0.147 30.460 30.300 0.022 0.000 0.962 73 R HN 0.330 nan 8.270 nan 0.000 0.428 74 D N 1.793 122.213 120.400 0.033 0.000 2.339 74 D HA 0.311 4.951 4.640 -0.000 0.000 0.245 74 D C -0.859 175.457 176.300 0.026 0.000 1.115 74 D CA 0.055 54.078 54.000 0.039 0.000 0.917 74 D CB 1.444 42.258 40.800 0.023 0.000 1.192 74 D HN 0.199 nan 8.370 nan 0.000 0.428 75 V N 2.236 122.171 119.914 0.035 0.000 3.000 75 V HA 0.319 4.439 4.120 -0.000 0.000 0.300 75 V C -1.530 174.559 176.094 -0.008 0.000 1.251 75 V CA -0.755 61.546 62.300 0.002 0.000 0.972 75 V CB 1.807 33.621 31.823 -0.015 0.000 1.065 75 V HN 0.398 nan 8.190 nan 0.000 0.431 76 L N 6.288 127.483 121.223 -0.047 0.000 2.260 76 L HA 0.553 4.893 4.340 -0.000 0.000 0.289 76 L C -0.478 176.329 176.870 -0.105 0.000 1.057 76 L CA -0.684 54.113 54.840 -0.071 0.000 0.811 76 L CB 1.650 43.657 42.059 -0.086 0.000 1.184 76 L HN 0.451 nan 8.230 nan 0.000 0.429 77 V N 5.757 125.580 119.914 -0.152 0.000 2.364 77 V HA 0.290 4.410 4.120 -0.000 0.000 0.272 77 V C -1.932 174.037 176.094 -0.209 0.000 1.036 77 V CA -1.556 60.599 62.300 -0.241 0.000 0.880 77 V CB 1.126 32.668 31.823 -0.468 0.000 0.991 77 V HN 0.587 nan 8.190 nan 0.000 0.460 78 P HA 0.447 nan 4.420 nan 0.000 0.286 78 P C -1.090 175.980 177.300 -0.384 0.000 1.269 78 P CA -0.224 62.678 63.100 -0.329 0.000 0.787 78 P CB 1.467 32.984 31.700 -0.304 0.000 0.920 79 L N 3.004 123.978 121.223 -0.416 0.000 2.370 79 L HA 0.616 4.956 4.340 -0.000 0.000 0.266 79 L C -0.379 176.295 176.870 -0.326 0.000 1.002 79 L CA -1.232 53.423 54.840 -0.308 0.000 0.818 79 L CB 2.616 44.561 42.059 -0.189 0.000 1.325 79 L HN 0.060 nan 8.230 nan 0.000 0.418 80 V N 3.149 122.928 119.914 -0.225 0.000 2.445 80 V HA 0.578 4.698 4.120 -0.000 0.000 0.283 80 V C -0.359 175.666 176.094 -0.115 0.000 1.014 80 V CA -0.424 61.787 62.300 -0.149 0.000 0.852 80 V CB 1.776 33.533 31.823 -0.110 0.000 1.021 80 V HN 0.558 nan 8.190 nan 0.000 0.435 81 V N 2.098 121.965 119.914 -0.078 0.000 3.112 81 V HA 0.736 4.856 4.120 -0.000 0.000 0.310 81 V C 0.361 176.439 176.094 -0.027 0.000 1.364 81 V CA -0.543 61.717 62.300 -0.067 0.000 1.058 81 V CB 2.343 34.129 31.823 -0.063 0.000 1.079 81 V HN 0.611 nan 8.190 nan 0.000 0.463 82 E N -0.295 119.896 120.200 -0.014 0.000 2.508 82 E HA 0.150 4.500 4.350 -0.000 0.000 0.217 82 E C 0.421 177.027 176.600 0.011 0.000 0.896 82 E CA 0.096 56.501 56.400 0.008 0.000 1.118 82 E CB 0.539 30.260 29.700 0.036 0.000 1.133 82 E HN 0.875 nan 8.360 nan 0.000 0.526 83 E N 3.605 123.819 120.200 0.023 0.000 2.223 83 E HA 0.202 4.552 4.350 -0.000 0.000 0.282 83 E C -1.983 174.621 176.600 0.007 0.000 1.046 83 E CA -2.166 54.272 56.400 0.063 0.000 0.857 83 E CB 0.888 30.649 29.700 0.102 0.000 1.055 83 E HN 0.022 nan 8.360 nan 0.000 0.409 84 P HA 0.070 nan 4.420 nan 0.000 0.274 84 P C -0.257 176.930 177.300 -0.188 0.000 1.256 84 P CA -0.153 62.862 63.100 -0.141 0.000 0.795 84 P CB 1.097 32.673 31.700 -0.207 0.000 1.038 85 S N -1.636 113.989 115.700 -0.125 0.000 1.961 85 S HA -0.196 4.274 4.470 -0.000 0.000 0.239 85 S C 1.429 176.039 174.600 0.017 0.000 1.051 85 S CA 1.090 59.254 58.200 -0.059 0.000 1.476 85 S CB -2.125 61.026 63.200 -0.081 0.000 1.861 85 S HN 0.552 nan 8.310 nan 0.000 0.559 86 I N 1.460 122.041 120.570 0.019 0.000 2.099 86 I HA -0.205 3.965 4.170 -0.000 0.000 0.239 86 I C 2.226 178.374 176.117 0.051 0.000 1.066 86 I CA 2.064 63.389 61.300 0.041 0.000 1.324 86 I CB -0.488 37.526 38.000 0.023 0.000 1.037 86 I HN 0.300 nan 8.210 nan 0.000 0.401 87 V N 0.994 120.930 119.914 0.036 0.000 2.490 87 V HA -0.250 3.870 4.120 -0.000 0.000 0.250 87 V C 2.583 178.728 176.094 0.086 0.000 1.061 87 V CA 1.808 64.141 62.300 0.056 0.000 1.064 87 V CB -0.953 30.893 31.823 0.038 0.000 0.670 87 V HN 0.503 nan 8.190 nan 0.000 0.461 88 A N -0.186 122.675 122.820 0.069 0.000 1.929 88 A HA 0.068 4.388 4.320 -0.000 0.000 0.216 88 A C 2.372 180.028 177.584 0.121 0.000 1.176 88 A CA 1.674 53.758 52.037 0.078 0.000 0.628 88 A CB -0.492 18.532 19.000 0.040 0.000 0.816 88 A HN 0.525 nan 8.150 nan 0.000 0.444 89 A N -0.178 122.715 122.820 0.121 0.000 1.898 89 A HA 0.321 4.641 4.320 -0.000 0.000 0.214 89 A C 2.465 180.136 177.584 0.145 0.000 1.183 89 A CA 1.577 53.703 52.037 0.149 0.000 0.622 89 A CB -0.955 18.112 19.000 0.112 0.000 0.824 89 A HN 0.959 nan 8.150 nan 0.000 0.444 90 A N -0.259 122.654 122.820 0.155 0.000 1.940 90 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 90 A C 2.388 180.072 177.584 0.167 0.000 1.176 90 A CA 2.184 54.358 52.037 0.229 0.000 0.631 90 A CB -0.705 18.476 19.000 0.302 0.000 0.814 90 A HN 0.451 nan 8.150 nan 0.000 0.446 91 S N -1.856 113.942 115.700 0.163 0.000 2.395 91 S HA -0.050 4.420 4.470 -0.000 0.000 0.225 91 S C 1.843 176.489 174.600 0.075 0.000 1.027 91 S CA 0.942 59.194 58.200 0.087 0.000 0.965 91 S CB -0.468 62.808 63.200 0.126 0.000 0.812 91 S HN 0.671 nan 8.310 nan 0.000 0.482 92 Y N 2.668 122.956 120.300 -0.020 0.000 2.163 92 Y HA -0.036 4.514 4.550 -0.000 0.000 0.288 92 Y C 2.016 177.886 175.900 -0.050 0.000 1.136 92 Y CA 1.140 59.224 58.100 -0.027 0.000 1.147 92 Y CB -0.575 37.881 38.460 -0.008 0.000 0.987 92 Y HN 0.106 nan 8.280 nan 0.000 0.509 93 M N 0.105 119.611 119.600 -0.156 0.000 2.296 93 M HA -0.060 4.420 4.480 -0.000 0.000 0.265 93 M C 2.404 178.607 176.300 -0.162 0.000 1.064 93 M CA 1.343 56.500 55.300 -0.238 0.000 1.109 93 M CB -2.001 30.543 32.600 -0.094 0.000 1.396 93 M HN 0.379 nan 8.290 nan 0.000 0.430 94 A N 0.073 122.774 122.820 -0.198 0.000 1.930 94 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 94 A C 2.362 179.850 177.584 -0.160 0.000 1.175 94 A CA 1.795 53.662 52.037 -0.282 0.000 0.627 94 A CB -0.595 17.810 19.000 -0.993 0.000 0.815 94 A HN 0.510 nan 8.150 nan 0.000 0.443 95 K N -0.222 120.113 120.400 -0.109 0.000 2.097 95 K HA -0.014 4.306 4.320 -0.000 0.000 0.205 95 K C 1.767 178.320 176.600 -0.078 0.000 1.050 95 K CA 1.096 57.358 56.287 -0.041 0.000 0.938 95 K CB -0.254 32.290 32.500 0.073 0.000 0.718 95 K HN 0.491 nan 8.250 nan 0.000 0.442 96 L N 0.258 121.390 121.223 -0.152 0.000 2.109 96 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 96 L C 2.561 179.310 176.870 -0.202 0.000 1.086 96 L CA 1.030 55.759 54.840 -0.185 0.000 0.760 96 L CB -0.475 41.414 42.059 -0.284 0.000 0.910 96 L HN 0.244 nan 8.230 nan 0.000 0.437 97 A N -0.217 122.442 122.820 -0.269 0.000 2.015 97 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 97 A C 2.364 179.787 177.584 -0.267 0.000 1.163 97 A CA 0.990 52.796 52.037 -0.385 0.000 0.646 97 A CB -0.436 18.060 19.000 -0.841 0.000 0.806 97 A HN 0.272 nan 8.150 nan 0.000 0.448 98 R N -0.497 119.904 120.500 -0.166 0.000 2.096 98 R HA -0.196 4.144 4.340 -0.000 0.000 0.240 98 R C 2.332 178.579 176.300 -0.088 0.000 1.139 98 R CA 1.414 57.459 56.100 -0.092 0.000 0.952 98 R CB -0.479 29.791 30.300 -0.051 0.000 0.854 98 R HN 0.504 nan 8.270 nan 0.000 0.436 99 A N 0.775 123.539 122.820 -0.094 0.000 2.186 99 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 99 A C 1.081 178.606 177.584 -0.098 0.000 1.159 99 A CA 1.382 53.369 52.037 -0.083 0.000 0.680 99 A CB -0.138 18.812 19.000 -0.083 0.000 0.787 99 A HN 0.356 nan 8.150 nan 0.000 0.467 100 N N -1.856 116.769 118.700 -0.125 0.000 2.241 100 N HA 0.254 4.994 4.740 -0.000 0.000 0.238 100 N C 0.739 176.184 175.510 -0.108 0.000 1.244 100 N CA 0.812 53.786 53.050 -0.126 0.000 0.880 100 N CB 1.153 39.539 38.487 -0.167 0.000 1.179 100 N HN 0.555 nan 8.380 nan 0.000 0.513 101 G N 0.218 108.962 108.800 -0.092 0.000 2.154 101 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.186 101 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.186 101 G C 0.684 175.546 174.900 -0.064 0.000 1.000 101 G CA 0.172 45.235 45.100 -0.063 0.000 0.664 101 G HN 0.656 nan 8.290 nan 0.000 0.513 102 G N -0.432 108.297 108.800 -0.119 0.000 2.556 102 G HA2 0.006 3.966 3.960 -0.000 0.000 0.283 102 G HA3 0.006 3.966 3.960 -0.000 0.000 0.283 102 G C -0.028 174.697 174.900 -0.291 0.000 1.177 102 G CA 0.518 45.551 45.100 -0.113 0.000 0.978 102 G HN 1.295 nan 8.290 nan 0.000 0.554 103 F N 1.256 121.209 119.950 0.005 0.000 2.482 103 F HA 0.620 5.147 4.527 0.000 0.000 0.331 103 F C 0.626 176.432 175.800 0.010 0.000 1.115 103 F CA -0.354 57.656 58.000 0.018 0.000 0.955 103 F CB 2.501 41.540 39.000 0.066 0.000 1.136 103 F HN 0.345 nan 8.300 nan 0.000 0.452 104 T N 1.989 116.622 114.554 0.132 0.000 2.753 104 T HA 0.494 4.844 4.350 -0.000 0.000 0.297 104 T C 0.076 174.820 174.700 0.074 0.000 0.981 104 T CA -0.617 61.528 62.100 0.074 0.000 0.956 104 T CB 0.587 69.467 68.868 0.020 0.000 0.936 104 T HN 0.709 nan 8.240 nan 0.000 0.463 105 T N 0.050 114.641 114.554 0.063 0.000 2.940 105 T HA 0.895 5.245 4.350 -0.000 0.000 0.288 105 T C -0.279 174.429 174.700 0.013 0.000 1.045 105 T CA -0.876 61.246 62.100 0.037 0.000 1.018 105 T CB 1.827 70.715 68.868 0.033 0.000 1.151 105 T HN 0.622 nan 8.240 nan 0.000 0.529 106 S N -0.465 115.234 115.700 -0.001 0.000 2.587 106 S HA 0.803 5.273 4.470 -0.000 0.000 0.269 106 S C -0.954 173.634 174.600 -0.020 0.000 1.154 106 S CA -0.468 57.727 58.200 -0.009 0.000 0.824 106 S CB 1.200 64.395 63.200 -0.009 0.000 1.118 106 S HN 1.824 nan 8.310 nan 0.000 0.462 107 S N 0.193 115.879 115.700 -0.023 0.000 2.656 107 S HA 0.901 5.371 4.470 -0.000 0.000 0.273 107 S C -0.566 174.015 174.600 -0.032 0.000 1.168 107 S CA -0.324 57.856 58.200 -0.033 0.000 0.817 107 S CB 1.010 64.189 63.200 -0.036 0.000 1.146 107 S HN 1.916 nan 8.310 nan 0.000 0.475 108 S N 0.388 116.065 115.700 -0.040 0.000 2.704 108 S HA 0.864 5.334 4.470 -0.000 0.000 0.305 108 S C 0.261 174.838 174.600 -0.038 0.000 1.107 108 S CA -0.573 57.604 58.200 -0.037 0.000 0.993 108 S CB 0.903 64.076 63.200 -0.043 0.000 1.110 108 S HN 1.739 nan 8.310 nan 0.000 0.534 109 A N 2.248 125.048 122.820 -0.034 0.000 2.540 109 A HA 0.378 4.698 4.320 -0.000 0.000 0.239 109 A C -2.018 175.542 177.584 -0.040 0.000 1.061 109 A CA -1.127 50.891 52.037 -0.031 0.000 0.758 109 A CB -0.800 18.185 19.000 -0.026 0.000 0.991 109 A HN 0.701 nan 8.150 nan 0.000 0.502 110 P HA 0.073 nan 4.420 nan 0.000 0.252 110 P C -0.918 176.357 177.300 -0.042 0.000 1.635 110 P CA 0.676 63.752 63.100 -0.038 0.000 1.206 110 P CB -0.392 31.291 31.700 -0.028 0.000 1.911 111 L N 3.906 125.091 121.223 -0.063 0.000 2.264 111 L HA 0.394 4.734 4.340 -0.000 0.000 0.287 111 L C 0.776 177.574 176.870 -0.120 0.000 1.039 111 L CA -0.431 54.362 54.840 -0.079 0.000 0.829 111 L CB 0.727 42.731 42.059 -0.092 0.000 1.211 111 L HN 0.123 nan 8.230 nan 0.000 0.427 112 M N 2.932 122.494 119.600 -0.062 0.000 2.573 112 M HA 0.446 4.926 4.480 -0.000 0.000 0.309 112 M C -0.242 176.103 176.300 0.076 0.000 1.202 112 M CA -0.416 54.874 55.300 -0.017 0.000 0.975 112 M CB 1.701 34.322 32.600 0.034 0.000 1.600 112 M HN 0.580 nan 8.290 nan 0.000 0.479 113 H N -0.980 118.132 119.070 0.069 0.000 2.856 113 H HA 0.814 5.370 4.556 -0.000 0.000 0.355 113 H C -1.242 174.125 175.328 0.066 0.000 1.079 113 H CA -1.263 54.844 56.048 0.098 0.000 1.240 113 H CB 1.080 30.958 29.762 0.193 0.000 1.701 113 H HN 0.761 nan 8.280 nan 0.000 0.527 114 A N 2.910 125.800 122.820 0.116 0.000 2.271 114 A HA 0.340 4.660 4.320 -0.000 0.000 0.288 114 A C -0.283 177.203 177.584 -0.163 0.000 1.094 114 A CA -0.731 51.297 52.037 -0.015 0.000 0.828 114 A CB 0.898 19.896 19.000 -0.003 0.000 1.091 114 A HN 0.817 nan 8.150 nan 0.000 0.493 115 Q N 0.194 119.877 119.800 -0.196 0.000 2.321 115 Q HA 0.491 4.831 4.340 -0.000 0.000 0.270 115 Q C -1.575 174.335 176.000 -0.150 0.000 1.032 115 Q CA -0.609 55.017 55.803 -0.296 0.000 0.784 115 Q CB 2.336 30.891 28.738 -0.306 0.000 1.264 115 Q HN 0.422 nan 8.270 nan 0.000 0.448 116 V N 3.043 122.884 119.914 -0.122 0.000 2.239 116 V HA 0.142 4.262 4.120 -0.000 0.000 0.267 116 V C -0.041 176.033 176.094 -0.034 0.000 1.056 116 V CA -0.556 61.709 62.300 -0.060 0.000 0.830 116 V CB 0.962 32.762 31.823 -0.039 0.000 1.090 116 V HN 0.702 nan 8.190 nan 0.000 0.459 117 Q N 4.373 124.156 119.800 -0.028 0.000 2.271 117 Q HA 0.388 4.728 4.340 -0.000 0.000 0.273 117 Q C -0.952 175.053 176.000 0.008 0.000 1.051 117 Q CA 0.182 55.985 55.803 0.001 0.000 0.901 117 Q CB 0.661 29.394 28.738 -0.009 0.000 1.174 117 Q HN 0.708 nan 8.270 nan 0.000 0.385 118 I N 5.791 126.377 120.570 0.026 0.000 2.410 118 I HA 0.293 4.463 4.170 -0.000 0.000 0.286 118 I C -0.007 176.128 176.117 0.030 0.000 1.009 118 I CA -0.907 60.406 61.300 0.021 0.000 1.111 118 I CB 1.456 39.467 38.000 0.019 0.000 1.262 118 I HN 0.466 nan 8.210 nan 0.000 0.443 119 V N 2.177 122.104 119.914 0.021 0.000 3.234 119 V HA 0.919 5.039 4.120 -0.000 0.000 0.317 119 V C 0.987 177.091 176.094 0.017 0.000 1.147 119 V CA 0.200 62.514 62.300 0.022 0.000 1.037 119 V CB 1.170 33.002 31.823 0.015 0.000 1.148 119 V HN 0.999 nan 8.190 nan 0.000 0.455 120 G N 0.292 109.101 108.800 0.016 0.000 2.184 120 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.264 120 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.264 120 G C 0.001 174.909 174.900 0.013 0.000 0.975 120 G CA 0.443 45.550 45.100 0.012 0.000 0.642 120 G HN 0.999 nan 8.290 nan 0.000 0.536 121 I N 0.541 121.122 120.570 0.017 0.000 2.441 121 I HA 0.257 4.427 4.170 -0.000 0.000 0.287 121 I C 1.426 177.552 176.117 0.016 0.000 1.049 121 I CA -0.130 61.179 61.300 0.016 0.000 1.381 121 I CB 1.500 39.511 38.000 0.018 0.000 1.409 121 I HN 0.164 nan 8.210 nan 0.000 0.523 122 Q N 3.456 123.264 119.800 0.012 0.000 2.354 122 Q HA -0.055 4.285 4.340 -0.000 0.000 0.203 122 Q C -0.126 175.881 176.000 0.012 0.000 0.933 122 Q CA 0.667 56.477 55.803 0.012 0.000 0.901 122 Q CB 0.476 29.219 28.738 0.009 0.000 1.007 122 Q HN 0.760 nan 8.270 nan 0.000 0.495 123 D N -1.375 119.032 120.400 0.010 0.000 2.607 123 D HA 0.151 4.791 4.640 -0.000 0.000 0.318 123 D C -2.398 173.907 176.300 0.008 0.000 1.212 123 D CA -1.643 52.362 54.000 0.008 0.000 0.861 123 D CB 1.123 41.926 40.800 0.005 0.000 1.064 123 D HN -0.012 nan 8.370 nan 0.000 0.500 124 P HA -0.131 nan 4.420 nan 0.000 0.215 124 P C 1.865 179.167 177.300 0.003 0.000 1.157 124 P CA 0.841 63.949 63.100 0.014 0.000 0.874 124 P CB 0.405 32.119 31.700 0.023 0.000 0.790 125 L N -1.046 120.177 121.223 -0.001 0.000 2.017 125 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 125 L C 2.436 179.302 176.870 -0.007 0.000 1.073 125 L CA 1.819 56.654 54.840 -0.008 0.000 0.745 125 L CB -1.135 40.919 42.059 -0.008 0.000 0.894 125 L HN 0.031 nan 8.230 nan 0.000 0.432 126 N N 0.491 119.189 118.700 -0.003 0.000 2.084 126 N HA -0.172 4.568 4.740 -0.000 0.000 0.190 126 N C 1.787 177.295 175.510 -0.004 0.000 1.030 126 N CA 1.658 54.706 53.050 -0.004 0.000 0.849 126 N CB -0.162 38.325 38.487 -0.001 0.000 1.012 126 N HN 0.254 nan 8.380 nan 0.000 0.423 127 A N 0.644 123.463 122.820 -0.002 0.000 2.076 127 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 127 A C 2.228 179.809 177.584 -0.006 0.000 1.160 127 A CA 1.410 53.446 52.037 -0.002 0.000 0.653 127 A CB -0.728 18.273 19.000 0.002 0.000 0.801 127 A HN 0.462 nan 8.150 nan 0.000 0.455 128 R N -0.192 120.303 120.500 -0.009 0.000 2.066 128 R HA -0.047 4.293 4.340 -0.000 0.000 0.232 128 R C 1.822 178.110 176.300 -0.019 0.000 1.131 128 R CA 1.539 57.628 56.100 -0.018 0.000 0.955 128 R CB -0.371 29.915 30.300 -0.023 0.000 0.851 128 R HN 0.519 nan 8.270 nan 0.000 0.432 129 L N 0.345 121.559 121.223 -0.015 0.000 2.141 129 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 129 L C 2.435 179.298 176.870 -0.011 0.000 1.094 129 L CA 0.973 55.805 54.840 -0.014 0.000 0.763 129 L CB -0.328 41.725 42.059 -0.011 0.000 0.908 129 L HN 0.240 nan 8.230 nan 0.000 0.437 130 S N 0.204 115.898 115.700 -0.009 0.000 2.382 130 S HA -0.118 4.352 4.470 -0.000 0.000 0.228 130 S C 1.982 176.577 174.600 -0.008 0.000 1.027 130 S CA 1.159 59.355 58.200 -0.007 0.000 0.991 130 S CB -0.148 63.049 63.200 -0.005 0.000 0.823 130 S HN 0.296 nan 8.310 nan 0.000 0.469 131 L N 0.800 122.016 121.223 -0.011 0.000 2.044 131 L HA -0.033 4.307 4.340 -0.000 0.000 0.205 131 L C 2.189 179.050 176.870 -0.014 0.000 1.075 131 L CA 0.973 55.805 54.840 -0.012 0.000 0.747 131 L CB -0.543 41.507 42.059 -0.016 0.000 0.903 131 L HN 0.282 nan 8.230 nan 0.000 0.435 132 L N -0.013 121.199 121.223 -0.019 0.000 2.079 132 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 132 L C 2.792 179.655 176.870 -0.013 0.000 1.081 132 L CA 1.409 56.238 54.840 -0.019 0.000 0.752 132 L CB -0.571 41.475 42.059 -0.023 0.000 0.896 132 L HN 0.377 nan 8.230 nan 0.000 0.433 133 R N 0.582 121.075 120.500 -0.010 0.000 2.153 133 R HA -0.064 4.276 4.340 -0.000 0.000 0.218 133 R C 1.527 177.823 176.300 -0.006 0.000 1.072 133 R CA 0.914 57.009 56.100 -0.008 0.000 0.990 133 R CB -0.118 30.178 30.300 -0.007 0.000 0.889 133 R HN 0.229 nan 8.270 nan 0.000 0.452 134 R N 0.658 121.154 120.500 -0.006 0.000 2.633 134 R HA 0.148 4.488 4.340 -0.000 0.000 0.348 134 R C 0.981 177.278 176.300 -0.005 0.000 1.100 134 R CA -0.193 55.904 56.100 -0.005 0.000 1.068 134 R CB 0.479 30.776 30.300 -0.004 0.000 1.351 134 R HN 0.201 nan 8.270 nan 0.000 0.575 135 K N 1.309 121.705 120.400 -0.006 0.000 2.009 135 K HA -0.182 4.138 4.320 -0.000 0.000 0.210 135 K C 0.940 177.539 176.600 -0.002 0.000 1.049 135 K CA 1.818 58.102 56.287 -0.005 0.000 0.929 135 K CB 0.139 32.635 32.500 -0.006 0.000 0.714 135 K HN 0.071 nan 8.250 nan 0.000 0.440 136 D N 0.678 121.077 120.400 -0.002 0.000 2.221 136 D HA -0.159 4.481 4.640 -0.000 0.000 0.204 136 D C 1.691 177.991 176.300 -0.000 0.000 0.982 136 D CA 1.163 55.163 54.000 -0.000 0.000 0.857 136 D CB 0.047 40.846 40.800 -0.001 0.000 0.934 136 D HN 0.461 nan 8.370 nan 0.000 0.475 137 E N 0.389 120.588 120.200 -0.001 0.000 2.028 137 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 137 E C 2.417 179.016 176.600 -0.000 0.000 0.988 137 E CA 0.419 56.818 56.400 -0.001 0.000 0.799 137 E CB -0.021 29.678 29.700 -0.002 0.000 0.755 137 E HN 0.271 nan 8.360 nan 0.000 0.447 138 I N 1.222 121.792 120.570 -0.001 0.000 2.264 138 I HA -0.294 3.876 4.170 -0.000 0.000 0.248 138 I C 2.301 178.420 176.117 0.002 0.000 1.111 138 I CA 1.084 62.384 61.300 0.000 0.000 1.382 138 I CB -0.244 37.755 38.000 -0.001 0.000 1.060 138 I HN 0.133 nan 8.210 nan 0.000 0.418 139 I N 0.289 120.861 120.570 0.003 0.000 2.163 139 I HA -0.244 3.926 4.170 -0.000 0.000 0.240 139 I C 2.457 178.577 176.117 0.004 0.000 1.081 139 I CA 1.390 62.693 61.300 0.005 0.000 1.353 139 I CB -0.500 37.503 38.000 0.005 0.000 1.054 139 I HN 0.203 nan 8.210 nan 0.000 0.407 140 E N 0.745 120.946 120.200 0.002 0.000 2.070 140 E HA -0.283 4.067 4.350 -0.000 0.000 0.197 140 E C 2.154 178.755 176.600 0.002 0.000 1.004 140 E CA 1.397 57.798 56.400 0.002 0.000 0.805 140 E CB -0.220 29.480 29.700 0.001 0.000 0.744 140 E HN 0.271 nan 8.360 nan 0.000 0.451 141 L N 0.831 122.055 121.223 0.001 0.000 2.083 141 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 141 L C 2.167 179.037 176.870 0.001 0.000 1.083 141 L CA 1.981 56.822 54.840 0.001 0.000 0.752 141 L CB -0.556 41.503 42.059 -0.000 0.000 0.899 141 L HN 0.049 nan 8.230 nan 0.000 0.433 142 A N -0.479 122.343 122.820 0.003 0.000 1.877 142 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 142 A C 2.100 179.687 177.584 0.004 0.000 1.186 142 A CA 1.898 53.937 52.037 0.004 0.000 0.620 142 A CB -0.759 18.245 19.000 0.007 0.000 0.822 142 A HN 0.584 nan 8.150 nan 0.000 0.443 143 N N -0.280 118.423 118.700 0.004 0.000 2.142 143 N HA -0.104 4.636 4.740 -0.000 0.000 0.186 143 N C 1.736 177.247 175.510 0.002 0.000 1.023 143 N CA 1.145 54.197 53.050 0.003 0.000 0.852 143 N CB -0.484 38.005 38.487 0.003 0.000 0.998 143 N HN 0.477 nan 8.380 nan 0.000 0.424 144 R N 0.867 121.368 120.500 0.001 0.000 2.226 144 R HA -0.148 4.192 4.340 -0.000 0.000 0.246 144 R C 2.018 178.318 176.300 0.001 0.000 1.161 144 R CA 1.258 57.359 56.100 0.001 0.000 0.997 144 R CB -0.036 30.264 30.300 0.000 0.000 0.870 144 R HN 0.266 nan 8.270 nan 0.000 0.465 145 K N 0.273 120.673 120.400 0.001 0.000 2.021 145 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 145 K C 0.463 177.063 176.600 0.001 0.000 1.047 145 K CA 1.253 57.541 56.287 0.000 0.000 0.943 145 K CB 0.289 32.790 32.500 0.000 0.000 0.725 145 K HN -0.115 nan 8.250 nan 0.000 0.439 146 D N 0.843 121.244 120.400 0.001 0.000 2.622 146 D HA 0.056 4.696 4.640 -0.000 0.000 0.262 146 D C 0.266 176.567 176.300 0.001 0.000 1.189 146 D CA -0.040 53.961 54.000 0.001 0.000 0.985 146 D CB 0.899 41.700 40.800 0.002 0.000 0.994 146 D HN 0.176 nan 8.370 nan 0.000 0.513 147 Q N 1.227 121.027 119.800 0.001 0.000 2.172 147 Q HA -0.078 4.262 4.340 -0.000 0.000 0.200 147 Q C 1.822 177.823 176.000 0.000 0.000 0.964 147 Q CA 0.216 56.019 55.803 0.001 0.000 0.855 147 Q CB 0.173 28.911 28.738 0.000 0.000 0.918 147 Q HN 0.497 nan 8.270 nan 0.000 0.444 148 L N 0.658 121.881 121.223 0.000 0.000 2.079 148 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 148 L C 2.056 178.926 176.870 0.000 0.000 1.081 148 L CA 1.275 56.115 54.840 0.000 0.000 0.752 148 L CB -0.660 41.399 42.059 0.000 0.000 0.896 148 L HN 0.231 nan 8.230 nan 0.000 0.433 149 L N 0.686 121.909 121.223 0.000 0.000 2.083 149 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 149 L C 2.013 178.883 176.870 -0.000 0.000 1.083 149 L CA 1.856 56.696 54.840 0.000 0.000 0.752 149 L CB -0.725 41.334 42.059 0.001 0.000 0.899 149 L HN 0.298 nan 8.230 nan 0.000 0.433 150 N N -1.234 117.466 118.700 0.000 0.000 2.309 150 N HA -0.130 4.610 4.740 -0.000 0.000 0.182 150 N C 1.737 177.246 175.510 -0.000 0.000 1.018 150 N CA 1.242 54.292 53.050 0.000 0.000 0.876 150 N CB -0.102 38.385 38.487 0.001 0.000 0.972 150 N HN 0.306 nan 8.380 nan 0.000 0.434 151 S N 0.147 115.846 115.700 -0.000 0.000 2.383 151 S HA -0.009 4.461 4.470 -0.000 0.000 0.227 151 S C 1.368 175.967 174.600 -0.001 0.000 1.026 151 S CA 0.729 58.929 58.200 -0.001 0.000 0.981 151 S CB -0.066 63.134 63.200 -0.000 0.000 0.818 151 S HN 0.166 nan 8.310 nan 0.000 0.472 152 L N 0.662 121.884 121.223 -0.001 0.000 2.591 152 L HA 0.311 4.651 4.340 -0.000 0.000 0.228 152 L C 1.701 178.569 176.870 -0.003 0.000 1.133 152 L CA 0.805 55.644 54.840 -0.002 0.000 0.880 152 L CB -0.727 41.331 42.059 -0.002 0.000 1.033 152 L HN 0.464 nan 8.230 nan 0.000 0.450 153 G N -1.841 106.958 108.800 -0.002 0.000 2.159 153 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.227 153 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.227 153 G C 0.685 175.584 174.900 -0.003 0.000 0.986 153 G CA -0.079 45.019 45.100 -0.003 0.000 0.651 153 G HN 0.607 nan 8.290 nan 0.000 0.523 154 G N -0.732 108.067 108.800 -0.002 0.000 2.630 154 G HA2 0.881 4.841 3.960 -0.000 0.000 0.223 154 G HA3 0.881 4.841 3.960 -0.000 0.000 0.223 154 G C 0.844 175.744 174.900 0.000 0.000 1.434 154 G CA 0.775 45.874 45.100 -0.002 0.000 1.057 154 G HN 2.034 nan 8.290 nan 0.000 0.570 155 G N -3.010 105.791 108.800 0.002 0.000 2.612 155 G HA2 0.133 4.093 3.960 -0.000 0.000 0.686 155 G HA3 0.133 4.093 3.960 -0.000 0.000 0.686 155 G C 0.012 174.916 174.900 0.007 0.000 1.274 155 G CA -0.319 44.784 45.100 0.005 0.000 0.849 155 G HN 1.423 nan 8.290 nan 0.000 0.595 156 C N 1.200 120.506 119.300 0.010 0.000 2.611 156 C HA 0.530 4.990 4.460 -0.000 0.000 0.416 156 C C 1.953 176.951 174.990 0.012 0.000 1.366 156 C CA 0.369 59.396 59.018 0.015 0.000 1.761 156 C CB -0.027 27.723 27.740 0.015 0.000 2.619 156 C HN 0.747 nan 8.230 nan 0.000 0.606 157 R N 1.930 122.439 120.500 0.016 0.000 2.243 157 R HA 0.319 4.659 4.340 -0.000 0.000 0.193 157 R C -0.243 176.065 176.300 0.014 0.000 0.933 157 R CA 0.374 56.481 56.100 0.011 0.000 1.105 157 R CB -0.183 30.122 30.300 0.008 0.000 1.169 157 R HN 0.872 nan 8.270 nan 0.000 0.599 158 D N -1.041 119.373 120.400 0.023 0.000 2.648 158 D HA 0.379 5.019 4.640 -0.000 0.000 0.244 158 D C -1.642 174.679 176.300 0.035 0.000 1.244 158 D CA -0.542 53.471 54.000 0.022 0.000 0.772 158 D CB 1.529 42.341 40.800 0.019 0.000 1.379 158 D HN -0.231 nan 8.370 nan 0.000 0.428 159 I N 1.520 122.103 120.570 0.022 0.000 2.474 159 I HA 0.364 4.534 4.170 -0.000 0.000 0.294 159 I C -0.480 175.632 176.117 -0.009 0.000 1.005 159 I CA -0.333 60.980 61.300 0.021 0.000 1.113 159 I CB 1.914 39.917 38.000 0.006 0.000 1.289 159 I HN 0.265 nan 8.210 nan 0.000 0.436 160 E N 5.220 125.407 120.200 -0.023 0.000 2.235 160 E HA 0.427 4.777 4.350 -0.000 0.000 0.252 160 E C -1.341 175.047 176.600 -0.353 0.000 0.886 160 E CA -0.561 55.737 56.400 -0.170 0.000 0.767 160 E CB 2.033 31.641 29.700 -0.153 0.000 1.205 160 E HN 0.231 nan 8.360 nan 0.000 0.421 161 V N 3.559 123.286 119.914 -0.311 0.000 2.432 161 V HA 0.257 4.377 4.120 -0.000 0.000 0.275 161 V C -0.317 175.558 176.094 -0.365 0.000 1.043 161 V CA -0.390 61.756 62.300 -0.257 0.000 0.925 161 V CB 0.540 32.300 31.823 -0.106 0.000 0.985 161 V HN 0.655 nan 8.190 nan 0.000 0.466 162 H N 1.363 120.441 119.070 0.014 0.000 2.679 162 H HA 0.748 5.304 4.556 -0.000 0.000 0.367 162 H C 0.074 175.289 175.328 -0.189 0.000 1.162 162 H CA -0.678 55.299 56.048 -0.118 0.000 1.181 162 H CB 2.008 31.690 29.762 -0.133 0.000 1.693 162 H HN 0.739 nan 8.280 nan 0.000 0.538 163 T N -0.823 113.592 114.554 -0.232 0.000 2.908 163 T HA 0.604 4.954 4.350 -0.000 0.000 0.290 163 T C -0.857 173.522 174.700 -0.535 0.000 1.034 163 T CA -0.900 61.062 62.100 -0.230 0.000 1.010 163 T CB 1.193 70.005 68.868 -0.093 0.000 1.068 163 T HN 0.422 nan 8.240 nan 0.000 0.481 164 F N 0.724 120.702 119.950 0.047 0.000 2.931 164 F HA 0.567 5.094 4.527 -0.000 0.000 0.375 164 F C 1.062 176.876 175.800 0.022 0.000 1.243 164 F CA -1.182 56.837 58.000 0.032 0.000 1.206 164 F CB 0.915 39.933 39.000 0.030 0.000 1.643 164 F HN 0.863 nan 8.300 nan 0.000 0.593 165 A N 0.206 123.107 122.820 0.135 0.000 2.206 165 A HA -0.071 4.249 4.320 -0.000 0.000 0.211 165 A C 1.305 178.944 177.584 0.091 0.000 1.158 165 A CA 1.224 53.316 52.037 0.091 0.000 0.761 165 A CB -0.654 18.375 19.000 0.048 0.000 0.801 165 A HN 0.701 nan 8.150 nan 0.000 0.473 166 D N -1.759 118.715 120.400 0.124 0.000 2.358 166 D HA 0.123 4.763 4.640 -0.000 0.000 0.224 166 D C 0.194 176.541 176.300 0.079 0.000 1.123 166 D CA -0.000 54.055 54.000 0.093 0.000 0.833 166 D CB -0.377 40.481 40.800 0.097 0.000 0.946 166 D HN 0.009 nan 8.370 nan 0.000 0.505 167 T N 1.712 116.317 114.554 0.084 0.000 2.919 167 T HA 0.091 4.441 4.350 -0.000 0.000 0.302 167 T C -1.413 173.296 174.700 0.015 0.000 1.031 167 T CA -1.053 61.066 62.100 0.032 0.000 1.127 167 T CB 1.486 70.372 68.868 0.029 0.000 0.952 167 T HN -0.053 nan 8.240 nan 0.000 0.540 168 P HA -0.046 nan 4.420 nan 0.000 0.218 168 P C 0.726 178.025 177.300 -0.002 0.000 1.148 168 P CA 0.976 64.073 63.100 -0.005 0.000 0.822 168 P CB 0.243 31.933 31.700 -0.016 0.000 0.784 169 R N -0.064 120.434 120.500 -0.004 0.000 3.534 169 R HA 0.440 4.780 4.340 -0.000 0.000 0.312 169 R C 0.644 176.950 176.300 0.009 0.000 1.419 169 R CA 0.195 56.295 56.100 -0.001 0.000 1.262 169 R CB -0.225 30.070 30.300 -0.008 0.000 1.437 169 R HN 0.148 nan 8.270 nan 0.000 0.627 170 G N 2.494 111.304 108.800 0.016 0.000 2.796 170 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.571 170 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.571 170 G C -2.745 172.179 174.900 0.041 0.000 1.370 170 G CA -1.135 43.980 45.100 0.025 0.000 0.856 170 G HN 0.139 nan 8.290 nan 0.000 0.538 171 P HA 0.416 nan 4.420 nan 0.000 0.271 171 P C -0.166 177.183 177.300 0.081 0.000 1.218 171 P CA 0.207 63.350 63.100 0.071 0.000 0.780 171 P CB 0.724 32.457 31.700 0.054 0.000 0.901 172 M N 1.636 121.314 119.600 0.130 0.000 2.619 172 M HA 0.492 4.972 4.480 -0.000 0.000 0.297 172 M C -0.830 175.568 176.300 0.164 0.000 1.229 172 M CA -1.041 54.342 55.300 0.139 0.000 0.860 172 M CB 2.482 35.176 32.600 0.156 0.000 1.741 172 M HN 0.127 nan 8.290 nan 0.000 0.462 173 L N 2.000 123.301 121.223 0.130 0.000 2.406 173 L HA 0.588 4.928 4.340 -0.000 0.000 0.270 173 L C -1.603 175.339 176.870 0.119 0.000 0.982 173 L CA -0.390 54.513 54.840 0.106 0.000 0.843 173 L CB 1.607 43.698 42.059 0.053 0.000 1.225 173 L HN 0.471 nan 8.230 nan 0.000 0.412 174 V N 5.064 125.087 119.914 0.181 0.000 2.293 174 V HA 0.722 4.842 4.120 -0.000 0.000 0.275 174 V C 0.555 176.732 176.094 0.138 0.000 1.021 174 V CA -0.420 61.983 62.300 0.172 0.000 0.815 174 V CB 0.995 33.010 31.823 0.319 0.000 1.025 174 V HN 0.852 nan 8.190 nan 0.000 0.448 175 A N 3.813 126.652 122.820 0.031 0.000 2.327 175 A HA 0.710 5.030 4.320 -0.000 0.000 0.283 175 A C -0.526 177.039 177.584 -0.032 0.000 1.127 175 A CA -0.264 51.779 52.037 0.010 0.000 0.810 175 A CB 0.153 19.146 19.000 -0.012 0.000 1.066 175 A HN 0.892 nan 8.150 nan 0.000 0.492 176 H N 0.889 119.934 119.070 -0.041 0.000 2.481 176 H HA 0.463 5.019 4.556 -0.000 0.000 0.333 176 H C -0.748 174.601 175.328 0.035 0.000 1.066 176 H CA -0.222 55.833 56.048 0.012 0.000 1.209 176 H CB 1.322 31.120 29.762 0.061 0.000 1.445 176 H HN 0.495 nan 8.280 nan 0.000 0.488 177 L N 5.370 126.667 121.223 0.123 0.000 2.315 177 L HA 0.296 4.636 4.340 -0.000 0.000 0.278 177 L C -0.132 176.830 176.870 0.153 0.000 1.088 177 L CA -0.273 54.628 54.840 0.102 0.000 0.899 177 L CB 0.165 42.254 42.059 0.049 0.000 1.277 177 L HN 0.589 nan 8.230 nan 0.000 0.431 178 I N 3.882 124.544 120.570 0.153 0.000 2.453 178 I HA 0.023 4.193 4.170 -0.000 0.000 0.300 178 I C -0.012 176.142 176.117 0.062 0.000 1.159 178 I CA -0.040 61.334 61.300 0.124 0.000 1.379 178 I CB 0.072 38.124 38.000 0.087 0.000 1.460 178 I HN 0.219 nan 8.210 nan 0.000 0.601 179 V N 5.425 125.376 119.914 0.061 0.000 2.407 179 V HA 0.094 4.214 4.120 -0.000 0.000 0.278 179 V C 0.514 176.616 176.094 0.013 0.000 1.037 179 V CA -0.615 61.705 62.300 0.033 0.000 0.900 179 V CB 1.683 33.528 31.823 0.036 0.000 0.983 179 V HN 0.598 nan 8.190 nan 0.000 0.459 180 D N 4.876 125.278 120.400 0.004 0.000 2.422 180 D HA 0.215 4.855 4.640 -0.000 0.000 0.227 180 D C 0.232 176.530 176.300 -0.004 0.000 1.190 180 D CA -0.240 53.757 54.000 -0.006 0.000 0.905 180 D CB 1.457 42.253 40.800 -0.007 0.000 1.034 180 D HN 0.455 nan 8.370 nan 0.000 0.507 181 V N 2.548 122.459 119.914 -0.005 0.000 3.641 181 V HA 0.430 4.550 4.120 -0.000 0.000 0.286 181 V C 1.143 177.232 176.094 -0.008 0.000 1.027 181 V CA -0.417 61.880 62.300 -0.004 0.000 1.032 181 V CB 1.299 33.121 31.823 -0.003 0.000 1.238 181 V HN 0.428 nan 8.190 nan 0.000 0.439 182 R N -0.556 119.940 120.500 -0.007 0.000 1.889 182 R HA 0.311 4.651 4.340 -0.000 0.000 0.134 182 R C 0.982 177.276 176.300 -0.010 0.000 2.065 182 R CA 0.346 56.441 56.100 -0.009 0.000 1.705 182 R CB -0.643 29.653 30.300 -0.006 0.000 1.387 182 R HN 0.811 nan 8.270 nan 0.000 0.484 183 D N 0.951 121.346 120.400 -0.008 0.000 2.368 183 D HA 0.262 4.902 4.640 -0.000 0.000 0.218 183 D C -0.244 176.052 176.300 -0.007 0.000 1.112 183 D CA 0.065 54.060 54.000 -0.009 0.000 0.834 183 D CB 0.844 41.639 40.800 -0.007 0.000 0.953 183 D HN 0.178 nan 8.370 nan 0.000 0.505 184 A N 0.411 123.227 122.820 -0.006 0.000 2.337 184 A HA 0.420 4.740 4.320 -0.000 0.000 0.331 184 A C 1.104 178.685 177.584 -0.005 0.000 1.137 184 A CA -0.575 51.459 52.037 -0.004 0.000 0.807 184 A CB 1.609 20.608 19.000 -0.002 0.000 1.250 184 A HN 0.026 nan 8.150 nan 0.000 0.468 185 M N 1.057 120.655 119.600 -0.004 0.000 2.213 185 M HA -0.004 4.476 4.480 -0.000 0.000 0.263 185 M C 1.396 177.696 176.300 -0.000 0.000 1.062 185 M CA 2.502 57.799 55.300 -0.004 0.000 1.105 185 M CB -0.190 32.407 32.600 -0.004 0.000 1.385 185 M HN 1.589 nan 8.290 nan 0.000 0.417 186 G N -1.443 107.358 108.800 0.001 0.000 2.195 186 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.246 186 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.246 186 G C 0.922 175.827 174.900 0.009 0.000 0.984 186 G CA 0.791 45.895 45.100 0.006 0.000 0.633 186 G HN 0.695 nan 8.290 nan 0.000 0.525 187 A N 1.092 123.915 122.820 0.005 0.000 1.863 187 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 187 A C 2.210 179.794 177.584 0.000 0.000 1.233 187 A CA 2.574 54.612 52.037 0.002 0.000 0.655 187 A CB -0.654 18.342 19.000 -0.007 0.000 0.839 187 A HN 0.533 nan 8.150 nan 0.000 0.454 188 N N -0.806 117.892 118.700 -0.003 0.000 2.188 188 N HA -0.082 4.658 4.740 -0.000 0.000 0.184 188 N C 1.794 177.304 175.510 -0.000 0.000 1.018 188 N CA 1.765 54.812 53.050 -0.003 0.000 0.858 188 N CB -0.981 37.503 38.487 -0.005 0.000 0.989 188 N HN 0.552 nan 8.380 nan 0.000 0.426 189 T N 1.148 115.703 114.554 0.002 0.000 2.684 189 T HA -0.073 4.277 4.350 -0.000 0.000 0.267 189 T C 2.162 176.866 174.700 0.007 0.000 1.036 189 T CA 1.045 63.147 62.100 0.004 0.000 1.148 189 T CB -0.330 68.541 68.868 0.005 0.000 0.863 189 T HN -0.024 nan 8.240 nan 0.000 0.436 190 V N 2.148 122.069 119.914 0.012 0.000 2.307 190 V HA -0.141 3.979 4.120 -0.000 0.000 0.245 190 V C 2.431 178.530 176.094 0.009 0.000 1.045 190 V CA 1.499 63.810 62.300 0.018 0.000 1.024 190 V CB -0.664 31.178 31.823 0.032 0.000 0.651 190 V HN 0.396 nan 8.190 nan 0.000 0.449 191 N N 0.181 118.883 118.700 0.003 0.000 2.137 191 N HA -0.162 4.578 4.740 -0.000 0.000 0.190 191 N C 1.874 177.380 175.510 -0.006 0.000 1.017 191 N CA 2.024 55.072 53.050 -0.005 0.000 0.859 191 N CB -0.649 37.833 38.487 -0.008 0.000 1.002 191 N HN 0.455 nan 8.380 nan 0.000 0.428 192 T N 1.108 115.661 114.554 -0.003 0.000 2.737 192 T HA 0.006 4.356 4.350 -0.000 0.000 0.265 192 T C 1.994 176.693 174.700 -0.002 0.000 1.038 192 T CA 0.948 63.046 62.100 -0.003 0.000 1.144 192 T CB -0.112 68.755 68.868 -0.002 0.000 0.866 192 T HN 0.221 nan 8.240 nan 0.000 0.434 193 M N 0.985 120.585 119.600 0.001 0.000 2.159 193 M HA -0.044 4.436 4.480 -0.000 0.000 0.263 193 M C 2.778 179.078 176.300 -0.001 0.000 1.063 193 M CA 1.414 56.716 55.300 0.002 0.000 1.110 193 M CB -0.491 32.114 32.600 0.008 0.000 1.374 193 M HN 0.284 nan 8.290 nan 0.000 0.411 194 A N 0.533 123.350 122.820 -0.004 0.000 1.902 194 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 194 A C 1.937 179.514 177.584 -0.012 0.000 1.181 194 A CA 1.626 53.657 52.037 -0.011 0.000 0.623 194 A CB -0.605 18.384 19.000 -0.019 0.000 0.818 194 A HN 0.538 nan 8.150 nan 0.000 0.443 195 E N -0.459 119.734 120.200 -0.011 0.000 2.358 195 E HA 0.055 4.405 4.350 -0.000 0.000 0.195 195 E C 2.102 178.698 176.600 -0.007 0.000 1.010 195 E CA 0.527 56.921 56.400 -0.010 0.000 0.856 195 E CB -0.140 29.554 29.700 -0.010 0.000 0.795 195 E HN 0.631 nan 8.360 nan 0.000 0.504 196 A N 0.796 123.612 122.820 -0.005 0.000 1.898 196 A HA -0.062 4.258 4.320 -0.000 0.000 0.214 196 A C 2.311 179.893 177.584 -0.004 0.000 1.183 196 A CA 0.738 52.772 52.037 -0.004 0.000 0.622 196 A CB -0.125 18.873 19.000 -0.002 0.000 0.824 196 A HN 0.106 nan 8.150 nan 0.000 0.444 197 V N -0.190 119.722 119.914 -0.004 0.000 3.235 197 V HA -0.012 4.108 4.120 -0.000 0.000 0.259 197 V C 2.802 178.893 176.094 -0.006 0.000 1.133 197 V CA 0.910 63.207 62.300 -0.004 0.000 1.128 197 V CB -0.856 30.965 31.823 -0.003 0.000 0.757 197 V HN 0.573 nan 8.190 nan 0.000 0.469 198 A N 1.833 124.648 122.820 -0.007 0.000 1.915 198 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 198 A C 0.855 178.436 177.584 -0.006 0.000 1.198 198 A CA 2.547 54.579 52.037 -0.008 0.000 0.647 198 A CB -1.896 17.098 19.000 -0.010 0.000 0.825 198 A HN 0.588 nan 8.150 nan 0.000 0.456 199 P HA -0.122 nan 4.420 nan 0.000 0.216 199 P C 1.715 179.013 177.300 -0.003 0.000 1.153 199 P CA 1.181 64.279 63.100 -0.004 0.000 0.848 199 P CB -0.181 31.517 31.700 -0.004 0.000 0.787 200 L N -0.481 120.740 121.223 -0.003 0.000 2.017 200 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 200 L C 2.699 179.568 176.870 -0.003 0.000 1.073 200 L CA 1.900 56.738 54.840 -0.003 0.000 0.745 200 L CB -1.412 40.646 42.059 -0.003 0.000 0.894 200 L HN -0.192 nan 8.230 nan 0.000 0.432 201 M N -1.016 118.582 119.600 -0.004 0.000 2.149 201 M HA -0.242 4.238 4.480 -0.000 0.000 0.261 201 M C 2.214 178.512 176.300 -0.002 0.000 1.064 201 M CA 1.989 57.287 55.300 -0.004 0.000 1.102 201 M CB -0.584 32.013 32.600 -0.005 0.000 1.369 201 M HN 0.369 nan 8.290 nan 0.000 0.408 202 E N 0.454 120.653 120.200 -0.002 0.000 2.150 202 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 202 E C 1.929 178.529 176.600 -0.001 0.000 0.985 202 E CA 1.115 57.514 56.400 -0.001 0.000 0.814 202 E CB 0.109 29.807 29.700 -0.002 0.000 0.752 202 E HN 0.484 nan 8.360 nan 0.000 0.466 203 A N 0.565 123.384 122.820 -0.001 0.000 1.930 203 A HA -0.069 4.251 4.320 -0.000 0.000 0.215 203 A C 2.041 179.625 177.584 -0.001 0.000 1.176 203 A CA 0.739 52.775 52.037 -0.001 0.000 0.632 203 A CB -0.315 18.684 19.000 -0.002 0.000 0.819 203 A HN 0.241 nan 8.150 nan 0.000 0.445 204 I N 0.084 120.654 120.570 -0.001 0.000 2.162 204 I HA -0.191 3.979 4.170 -0.000 0.000 0.238 204 I C 2.825 178.941 176.117 -0.001 0.000 1.076 204 I CA 1.879 63.178 61.300 -0.002 0.000 1.353 204 I CB -0.647 37.352 38.000 -0.003 0.000 1.063 204 I HN 0.499 nan 8.210 nan 0.000 0.408 205 T N -1.560 112.993 114.554 -0.000 0.000 3.023 205 T HA 0.088 4.438 4.350 -0.000 0.000 0.266 205 T C 1.663 176.364 174.700 0.003 0.000 1.093 205 T CA 0.694 62.795 62.100 0.002 0.000 1.129 205 T CB -0.086 68.784 68.868 0.004 0.000 0.899 205 T HN 0.602 nan 8.240 nan 0.000 0.491 206 G N 0.676 109.477 108.800 0.002 0.000 2.155 206 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.257 206 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.257 206 G C 0.497 175.399 174.900 0.004 0.000 0.983 206 G CA 0.168 45.269 45.100 0.002 0.000 0.676 206 G HN 1.032 nan 8.290 nan 0.000 0.528 207 G N -1.349 107.454 108.800 0.005 0.000 2.574 207 G HA2 0.584 4.544 3.960 -0.000 0.000 0.248 207 G HA3 0.584 4.544 3.960 -0.000 0.000 0.248 207 G C -0.073 174.830 174.900 0.004 0.000 1.422 207 G CA 0.325 45.429 45.100 0.007 0.000 1.051 207 G HN 0.701 nan 8.290 nan 0.000 0.560 208 Q N -0.164 119.639 119.800 0.005 0.000 2.397 208 Q HA 0.432 4.772 4.340 -0.000 0.000 0.260 208 Q C -0.949 175.052 176.000 0.001 0.000 1.002 208 Q CA -0.535 55.269 55.803 0.002 0.000 0.716 208 Q CB 1.661 30.400 28.738 0.002 0.000 1.258 208 Q HN 0.295 nan 8.270 nan 0.000 0.477 209 V N 4.658 124.571 119.914 -0.001 0.000 2.694 209 V HA -0.005 4.115 4.120 -0.000 0.000 0.306 209 V C 1.044 177.134 176.094 -0.007 0.000 1.054 209 V CA 0.518 62.816 62.300 -0.004 0.000 1.161 209 V CB 0.588 32.407 31.823 -0.007 0.000 0.916 209 V HN 0.805 nan 8.190 nan 0.000 0.490 210 R N 2.977 123.472 120.500 -0.009 0.000 1.747 210 R HA 0.481 4.821 4.340 -0.000 0.000 0.136 210 R C 0.128 176.417 176.300 -0.018 0.000 2.116 210 R CA -0.298 55.794 56.100 -0.012 0.000 1.739 210 R CB -0.112 30.181 30.300 -0.012 0.000 1.333 210 R HN 0.471 nan 8.270 nan 0.000 0.480 211 L N 2.365 123.574 121.223 -0.023 0.000 2.417 211 L HA 0.314 4.654 4.340 -0.000 0.000 0.268 211 L C 0.105 176.954 176.870 -0.035 0.000 1.158 211 L CA 0.122 54.944 54.840 -0.030 0.000 0.819 211 L CB 0.373 42.411 42.059 -0.036 0.000 1.112 211 L HN 0.217 nan 8.230 nan 0.000 0.458 212 R N 2.703 123.183 120.500 -0.034 0.000 2.718 212 R HA 0.460 4.800 4.340 -0.000 0.000 0.266 212 R C -1.344 174.935 176.300 -0.036 0.000 1.776 212 R CA -0.248 55.830 56.100 -0.037 0.000 1.567 212 R CB 1.085 31.369 30.300 -0.027 0.000 1.336 212 R HN 0.406 nan 8.270 nan 0.000 0.619 213 I N 1.123 121.665 120.570 -0.046 0.000 2.934 213 I HA 0.438 4.608 4.170 -0.000 0.000 0.306 213 I C -0.733 175.358 176.117 -0.042 0.000 1.110 213 I CA -1.537 59.741 61.300 -0.037 0.000 1.019 213 I CB 1.894 39.873 38.000 -0.035 0.000 1.227 213 I HN 0.368 nan 8.210 nan 0.000 0.434 214 L N 2.367 123.578 121.223 -0.018 0.000 2.475 214 L HA 0.621 4.961 4.340 -0.000 0.000 0.253 214 L C -0.148 176.723 176.870 0.002 0.000 1.198 214 L CA -0.139 54.703 54.840 0.005 0.000 0.814 214 L CB 0.948 43.026 42.059 0.032 0.000 1.134 214 L HN 0.615 nan 8.230 nan 0.000 0.478 215 S N 0.459 116.182 115.700 0.039 0.000 2.456 215 S HA 0.331 4.801 4.470 -0.000 0.000 0.316 215 S C 0.546 175.211 174.600 0.107 0.000 1.089 215 S CA -0.811 57.416 58.200 0.045 0.000 1.101 215 S CB 0.710 63.901 63.200 -0.014 0.000 0.995 215 S HN 0.827 nan 8.310 nan 0.000 0.468 216 N N 2.825 121.569 118.700 0.073 0.000 2.453 216 N HA -0.049 4.691 4.740 -0.000 0.000 0.183 216 N C 0.495 176.065 175.510 0.100 0.000 1.041 216 N CA 0.390 53.484 53.050 0.072 0.000 0.900 216 N CB -0.160 38.353 38.487 0.044 0.000 0.961 216 N HN 0.527 nan 8.380 nan 0.000 0.443 217 L N 1.865 123.169 121.223 0.133 0.000 2.416 217 L HA 0.203 4.543 4.340 -0.000 0.000 0.243 217 L C 0.199 177.202 176.870 0.221 0.000 1.373 217 L CA -0.445 54.493 54.840 0.164 0.000 1.227 217 L CB -0.756 41.405 42.059 0.170 0.000 1.428 217 L HN -0.112 nan 8.230 nan 0.000 0.425 218 A N 2.025 124.921 122.820 0.128 0.000 3.026 218 A HA 0.175 4.495 4.320 -0.000 0.000 0.272 218 A C 0.981 178.537 177.584 -0.047 0.000 1.782 218 A CA 0.011 52.079 52.037 0.051 0.000 1.451 218 A CB -0.852 18.144 19.000 -0.006 0.000 1.081 218 A HN 0.731 nan 8.150 nan 0.000 0.611 219 D N 0.445 120.857 120.400 0.019 0.000 2.363 219 D HA -0.077 4.563 4.640 -0.000 0.000 0.226 219 D C 0.882 177.140 176.300 -0.069 0.000 1.020 219 D CA 0.408 54.396 54.000 -0.020 0.000 0.892 219 D CB -0.128 40.795 40.800 0.206 0.000 0.900 219 D HN 0.526 nan 8.370 nan 0.000 0.531 220 L N -0.986 120.151 121.223 -0.144 0.000 2.616 220 L HA 0.246 4.586 4.340 -0.000 0.000 0.229 220 L C 1.360 178.150 176.870 -0.133 0.000 1.110 220 L CA -0.202 54.547 54.840 -0.151 0.000 0.884 220 L CB 0.343 42.257 42.059 -0.243 0.000 1.115 220 L HN -0.102 nan 8.230 nan 0.000 0.481 221 R N 1.263 121.680 120.500 -0.139 0.000 3.057 221 R HA 0.367 4.707 4.340 -0.000 0.000 0.291 221 R C -0.753 175.470 176.300 -0.128 0.000 1.394 221 R CA -0.275 55.758 56.100 -0.112 0.000 1.630 221 R CB 0.137 30.381 30.300 -0.094 0.000 1.268 221 R HN 0.140 nan 8.270 nan 0.000 0.621 222 L N 1.250 122.392 121.223 -0.134 0.000 2.399 222 L HA 0.620 4.960 4.340 -0.000 0.000 0.266 222 L C 0.135 176.942 176.870 -0.106 0.000 1.114 222 L CA -0.749 53.996 54.840 -0.158 0.000 0.804 222 L CB 1.583 43.550 42.059 -0.153 0.000 1.146 222 L HN 0.367 nan 8.230 nan 0.000 0.451 223 A N 2.693 125.450 122.820 -0.105 0.000 2.393 223 A HA 0.797 5.117 4.320 -0.000 0.000 0.306 223 A C -0.775 176.774 177.584 -0.058 0.000 1.050 223 A CA -0.696 51.298 52.037 -0.071 0.000 0.724 223 A CB 1.316 20.275 19.000 -0.069 0.000 1.248 223 A HN 0.789 nan 8.150 nan 0.000 0.424 224 R N 0.336 120.814 120.500 -0.038 0.000 2.832 224 R HA 0.866 5.206 4.340 -0.000 0.000 0.271 224 R C -0.632 175.663 176.300 -0.008 0.000 0.996 224 R CA -0.508 55.576 56.100 -0.026 0.000 0.977 224 R CB 2.383 32.669 30.300 -0.024 0.000 1.168 224 R HN 1.026 nan 8.270 nan 0.000 0.482 225 A N 1.589 124.409 122.820 -0.001 0.000 2.540 225 A HA 0.427 4.747 4.320 -0.000 0.000 0.297 225 A C -1.501 176.097 177.584 0.024 0.000 1.056 225 A CA -0.759 51.306 52.037 0.047 0.000 0.700 225 A CB 1.803 20.850 19.000 0.078 0.000 1.280 225 A HN 0.649 nan 8.150 nan 0.000 0.398 226 Q N 0.016 119.843 119.800 0.045 0.000 2.423 226 Q HA 0.769 5.109 4.340 -0.000 0.000 0.278 226 Q C -0.710 175.261 176.000 -0.048 0.000 1.097 226 Q CA -1.085 54.697 55.803 -0.036 0.000 0.809 226 Q CB 3.032 31.738 28.738 -0.053 0.000 1.391 226 Q HN 1.269 nan 8.270 nan 0.000 0.428 227 V N -1.819 118.019 119.914 -0.127 0.000 3.188 227 V HA 0.791 4.911 4.120 -0.000 0.000 0.305 227 V C -1.392 174.630 176.094 -0.120 0.000 1.232 227 V CA -1.039 61.146 62.300 -0.191 0.000 1.043 227 V CB 2.377 34.099 31.823 -0.170 0.000 1.068 227 V HN 0.811 nan 8.190 nan 0.000 0.439 228 R N 2.053 122.472 120.500 -0.136 0.000 2.533 228 R HA 0.738 5.078 4.340 -0.000 0.000 0.288 228 R C -2.018 174.215 176.300 -0.113 0.000 1.039 228 R CA -0.652 55.401 56.100 -0.079 0.000 0.909 228 R CB 1.788 32.037 30.300 -0.086 0.000 1.195 228 R HN 0.812 nan 8.270 nan 0.000 0.438 229 I N 3.753 124.290 120.570 -0.054 0.000 2.411 229 I HA 0.203 4.373 4.170 -0.000 0.000 0.284 229 I C 0.145 176.199 176.117 -0.104 0.000 1.012 229 I CA -0.531 60.713 61.300 -0.093 0.000 1.119 229 I CB 1.693 39.659 38.000 -0.057 0.000 1.261 229 I HN 0.624 nan 8.210 nan 0.000 0.448 230 T N 9.148 123.586 114.554 -0.194 0.000 2.916 230 T HA 0.104 4.454 4.350 -0.000 0.000 0.303 230 T C -1.026 173.647 174.700 -0.045 0.000 1.025 230 T CA -0.641 61.347 62.100 -0.187 0.000 1.142 230 T CB 0.895 69.613 68.868 -0.250 0.000 0.947 230 T HN 0.449 nan 8.240 nan 0.000 0.544 231 P HA -0.221 nan 4.420 nan 0.000 0.216 231 P C 1.367 178.680 177.300 0.021 0.000 1.150 231 P CA 1.168 64.291 63.100 0.039 0.000 0.843 231 P CB 0.221 31.965 31.700 0.073 0.000 0.787 232 Q N -0.059 119.752 119.800 0.018 0.000 2.234 232 Q HA -0.199 4.141 4.340 -0.000 0.000 0.206 232 Q C 2.332 178.334 176.000 0.002 0.000 0.980 232 Q CA 1.369 57.181 55.803 0.014 0.000 0.869 232 Q CB -0.206 28.538 28.738 0.011 0.000 0.912 232 Q HN 0.385 nan 8.270 nan 0.000 0.436 233 Q N -0.234 119.553 119.800 -0.022 0.000 2.172 233 Q HA -0.065 4.275 4.340 -0.000 0.000 0.200 233 Q C 1.825 177.811 176.000 -0.023 0.000 0.964 233 Q CA 0.820 56.604 55.803 -0.032 0.000 0.855 233 Q CB 0.143 28.835 28.738 -0.075 0.000 0.918 233 Q HN 0.418 nan 8.270 nan 0.000 0.444 234 L N 0.867 122.074 121.223 -0.026 0.000 2.591 234 L HA 0.090 4.430 4.340 -0.000 0.000 0.228 234 L C 0.788 177.672 176.870 0.024 0.000 1.133 234 L CA -0.102 54.725 54.840 -0.020 0.000 0.880 234 L CB -0.026 42.006 42.059 -0.045 0.000 1.033 234 L HN 0.166 nan 8.230 nan 0.000 0.450 235 E N 1.938 122.160 120.200 0.037 0.000 2.292 235 E HA 0.023 4.373 4.350 -0.000 0.000 0.265 235 E C 0.396 177.040 176.600 0.073 0.000 1.093 235 E CA -0.174 56.262 56.400 0.060 0.000 0.922 235 E CB 0.575 30.304 29.700 0.047 0.000 1.001 235 E HN 0.199 nan 8.360 nan 0.000 0.444 236 T N 0.941 115.556 114.554 0.103 0.000 2.888 236 T HA 0.512 4.862 4.350 -0.000 0.000 0.283 236 T C 1.213 175.971 174.700 0.096 0.000 1.013 236 T CA -0.155 62.010 62.100 0.107 0.000 0.938 236 T CB 1.348 70.298 68.868 0.136 0.000 1.298 236 T HN 0.367 nan 8.240 nan 0.000 0.580 237 A N 0.354 123.226 122.820 0.087 0.000 1.873 237 A HA 0.031 4.351 4.320 -0.000 0.000 0.215 237 A C 2.104 179.722 177.584 0.056 0.000 1.186 237 A CA 1.564 53.638 52.037 0.061 0.000 0.616 237 A CB -0.998 18.033 19.000 0.051 0.000 0.823 237 A HN 0.886 nan 8.150 nan 0.000 0.442 238 E N -0.801 119.455 120.200 0.093 0.000 2.035 238 E HA 0.194 4.544 4.350 -0.000 0.000 0.191 238 E C -0.114 176.468 176.600 -0.030 0.000 0.966 238 E CA 0.341 56.761 56.400 0.033 0.000 0.823 238 E CB -0.328 29.434 29.700 0.102 0.000 0.791 238 E HN 0.481 nan 8.360 nan 0.000 0.459 239 F N 1.730 121.687 119.950 0.011 0.000 2.418 239 F HA 0.218 4.745 4.527 0.000 0.000 0.341 239 F C 1.079 176.884 175.800 0.010 0.000 1.120 239 F CA -0.701 57.304 58.000 0.009 0.000 1.232 239 F CB 0.765 39.770 39.000 0.009 0.000 1.175 239 F HN -0.095 nan 8.300 nan 0.000 0.569 240 S N 0.826 116.626 115.700 0.165 0.000 2.707 240 S HA 0.498 4.968 4.470 -0.000 0.000 0.276 240 S C 1.225 175.893 174.600 0.114 0.000 1.179 240 S CA -0.388 57.874 58.200 0.103 0.000 0.992 240 S CB 1.126 64.359 63.200 0.055 0.000 1.030 240 S HN 0.788 nan 8.310 nan 0.000 0.554 241 G N 0.831 109.675 108.800 0.073 0.000 2.459 241 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.217 241 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.217 241 G C 1.231 176.168 174.900 0.062 0.000 1.183 241 G CA 0.756 45.891 45.100 0.058 0.000 0.776 241 G HN 0.790 nan 8.290 nan 0.000 0.552 242 E N 1.352 121.590 120.200 0.063 0.000 2.118 242 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 242 E C 2.808 179.455 176.600 0.078 0.000 0.992 242 E CA 1.158 57.595 56.400 0.062 0.000 0.804 242 E CB -0.878 28.853 29.700 0.052 0.000 0.741 242 E HN 0.410 nan 8.360 nan 0.000 0.458 243 A N 1.428 124.316 122.820 0.113 0.000 1.933 243 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 243 A C 2.623 180.303 177.584 0.161 0.000 1.175 243 A CA 1.445 53.591 52.037 0.182 0.000 0.628 243 A CB -0.570 18.607 19.000 0.295 0.000 0.814 243 A HN 0.151 nan 8.150 nan 0.000 0.444 244 V N 0.580 120.553 119.914 0.099 0.000 2.453 244 V HA -0.175 3.945 4.120 -0.000 0.000 0.247 244 V C 2.389 178.468 176.094 -0.025 0.000 1.048 244 V CA 1.318 63.610 62.300 -0.013 0.000 1.049 244 V CB -0.606 31.194 31.823 -0.038 0.000 0.672 244 V HN 0.496 nan 8.190 nan 0.000 0.457 245 I N 0.271 120.846 120.570 0.009 0.000 2.163 245 I HA -0.164 4.006 4.170 -0.000 0.000 0.243 245 I C 2.621 178.756 176.117 0.030 0.000 1.085 245 I CA 1.523 62.831 61.300 0.014 0.000 1.347 245 I CB -1.295 36.731 38.000 0.043 0.000 1.044 245 I HN 0.364 nan 8.210 nan 0.000 0.408 246 E N 1.014 121.242 120.200 0.047 0.000 2.110 246 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 246 E C 2.327 178.956 176.600 0.048 0.000 0.988 246 E CA 1.321 57.755 56.400 0.057 0.000 0.804 246 E CB -0.648 29.090 29.700 0.063 0.000 0.745 246 E HN 0.549 nan 8.360 nan 0.000 0.458 247 G N 1.460 110.274 108.800 0.023 0.000 2.418 247 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 247 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 247 G C 1.769 176.664 174.900 -0.008 0.000 1.158 247 G CA 0.569 45.666 45.100 -0.004 0.000 0.771 247 G HN 0.204 nan 8.290 nan 0.000 0.545 248 I N 0.418 120.962 120.570 -0.043 0.000 2.286 248 I HA -0.131 4.039 4.170 -0.000 0.000 0.248 248 I C 2.644 178.781 176.117 0.032 0.000 1.115 248 I CA 0.672 61.919 61.300 -0.089 0.000 1.392 248 I CB -0.151 37.722 38.000 -0.212 0.000 1.065 248 I HN 0.145 nan 8.210 nan 0.000 0.418 249 L N 0.004 121.284 121.223 0.095 0.000 2.109 249 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 249 L C 2.074 179.069 176.870 0.208 0.000 1.086 249 L CA 1.099 56.063 54.840 0.206 0.000 0.760 249 L CB -0.629 41.531 42.059 0.168 0.000 0.910 249 L HN 0.221 nan 8.230 nan 0.000 0.437 250 D N 0.393 120.869 120.400 0.127 0.000 2.117 250 D HA -0.127 4.513 4.640 -0.000 0.000 0.198 250 D C 2.238 178.627 176.300 0.148 0.000 0.982 250 D CA 1.420 55.481 54.000 0.102 0.000 0.828 250 D CB 0.015 40.848 40.800 0.055 0.000 0.967 250 D HN 0.260 nan 8.370 nan 0.000 0.464 251 A N -0.059 122.858 122.820 0.162 0.000 1.972 251 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 251 A C 2.120 179.854 177.584 0.250 0.000 1.169 251 A CA 1.181 53.350 52.037 0.220 0.000 0.635 251 A CB -0.789 18.299 19.000 0.147 0.000 0.810 251 A HN 0.377 nan 8.150 nan 0.000 0.446 252 Y N 0.304 120.682 120.300 0.131 0.000 2.243 252 Y HA 0.157 4.707 4.550 -0.000 0.000 0.293 252 Y C 2.521 178.467 175.900 0.076 0.000 1.124 252 Y CA 0.788 58.956 58.100 0.114 0.000 1.159 252 Y CB -0.729 37.881 38.460 0.249 0.000 1.008 252 Y HN 0.257 nan 8.280 nan 0.000 0.527 253 A N 0.630 123.356 122.820 -0.156 0.000 1.940 253 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 253 A C 2.183 179.730 177.584 -0.062 0.000 1.176 253 A CA 1.712 53.614 52.037 -0.225 0.000 0.631 253 A CB -1.569 17.414 19.000 -0.029 0.000 0.814 253 A HN 0.608 nan 8.150 nan 0.000 0.446 254 F N 1.114 120.992 119.950 -0.120 0.000 2.102 254 F HA -0.088 4.439 4.527 0.000 0.000 0.298 254 F C 2.499 178.255 175.800 -0.074 0.000 1.105 254 F CA 0.958 58.923 58.000 -0.059 0.000 1.239 254 F CB -0.967 38.029 39.000 -0.007 0.000 0.991 254 F HN 0.257 nan 8.300 nan 0.000 0.474 255 A N -0.077 122.632 122.820 -0.185 0.000 2.014 255 A HA 0.153 4.473 4.320 -0.000 0.000 0.218 255 A C 2.368 179.796 177.584 -0.260 0.000 1.163 255 A CA 1.325 53.155 52.037 -0.345 0.000 0.652 255 A CB -1.276 17.389 19.000 -0.557 0.000 0.808 255 A HN 0.423 nan 8.150 nan 0.000 0.449 256 A N -1.058 121.582 122.820 -0.300 0.000 2.014 256 A HA 0.163 4.483 4.320 -0.000 0.000 0.218 256 A C 2.137 179.721 177.584 -0.001 0.000 1.163 256 A CA 1.594 53.493 52.037 -0.230 0.000 0.652 256 A CB -0.443 18.271 19.000 -0.476 0.000 0.808 256 A HN 0.737 nan 8.150 nan 0.000 0.449 257 V N -0.618 119.312 119.914 0.027 0.000 3.085 257 V HA 0.118 4.238 4.120 -0.000 0.000 0.245 257 V C -0.183 176.049 176.094 0.230 0.000 1.114 257 V CA 1.165 63.534 62.300 0.115 0.000 1.108 257 V CB 0.230 32.089 31.823 0.061 0.000 0.798 257 V HN 0.493 nan 8.190 nan 0.000 0.471 258 D N -0.711 119.789 120.400 0.166 0.000 2.381 258 D HA 0.379 5.019 4.640 -0.000 0.000 0.235 258 D C -1.929 174.386 176.300 0.025 0.000 1.068 258 D CA -2.310 51.786 54.000 0.161 0.000 0.832 258 D CB 2.104 43.064 40.800 0.266 0.000 1.101 258 D HN 0.067 nan 8.370 nan 0.000 0.515 259 P HA -0.122 nan 4.420 nan 0.000 0.219 259 P C 0.738 177.979 177.300 -0.098 0.000 1.146 259 P CA 1.040 64.102 63.100 -0.065 0.000 0.808 259 P CB 0.050 31.628 31.700 -0.202 0.000 0.779 260 Y N -0.708 119.572 120.300 -0.032 0.000 2.224 260 Y HA -0.190 4.360 4.550 -0.000 0.000 0.289 260 Y C 2.715 178.549 175.900 -0.110 0.000 1.146 260 Y CA 1.187 59.256 58.100 -0.050 0.000 1.182 260 Y CB -0.342 38.108 38.460 -0.017 0.000 0.983 260 Y HN -0.185 nan 8.280 nan 0.000 0.524 261 R N 0.574 120.988 120.500 -0.142 0.000 2.127 261 R HA 0.041 4.381 4.340 -0.000 0.000 0.217 261 R C 2.156 178.385 176.300 -0.118 0.000 1.074 261 R CA 1.154 57.044 56.100 -0.350 0.000 0.991 261 R CB -0.664 28.932 30.300 -1.174 0.000 0.895 261 R HN 0.187 nan 8.270 nan 0.000 0.450 262 A N 0.603 123.383 122.820 -0.067 0.000 1.933 262 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 262 A C 2.358 180.113 177.584 0.285 0.000 1.175 262 A CA 1.688 53.753 52.037 0.046 0.000 0.628 262 A CB -1.034 17.963 19.000 -0.006 0.000 0.814 262 A HN 0.481 nan 8.150 nan 0.000 0.444 263 A N -0.734 122.276 122.820 0.316 0.000 1.865 263 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 263 A C 2.335 180.057 177.584 0.229 0.000 1.191 263 A CA 2.455 54.669 52.037 0.295 0.000 0.623 263 A CB -1.352 17.681 19.000 0.055 0.000 0.826 263 A HN 0.452 nan 8.150 nan 0.000 0.444 264 T N -1.354 113.291 114.554 0.152 0.000 2.857 264 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 264 T C 1.887 176.674 174.700 0.146 0.000 1.048 264 T CA 1.219 63.393 62.100 0.123 0.000 1.139 264 T CB -0.495 68.421 68.868 0.081 0.000 0.874 264 T HN 0.633 nan 8.240 nan 0.000 0.455 265 H N 1.980 121.086 119.070 0.060 0.000 2.290 265 H HA -0.083 4.473 4.556 -0.000 0.000 0.298 265 H C 1.940 177.320 175.328 0.086 0.000 1.087 265 H CA 1.659 57.748 56.048 0.068 0.000 1.291 265 H CB -0.104 29.691 29.762 0.054 0.000 1.369 265 H HN 0.187 nan 8.280 nan 0.000 0.492 266 N N 1.000 119.839 118.700 0.231 0.000 2.244 266 N HA -0.127 4.613 4.740 -0.000 0.000 0.183 266 N C 2.033 177.600 175.510 0.096 0.000 1.016 266 N CA 0.477 53.599 53.050 0.121 0.000 0.866 266 N CB -0.296 38.236 38.487 0.075 0.000 0.980 266 N HN 0.352 nan 8.380 nan 0.000 0.430 267 K N 1.314 121.812 120.400 0.163 0.000 2.063 267 K HA -0.073 4.247 4.320 -0.000 0.000 0.208 267 K C 1.870 178.517 176.600 0.077 0.000 1.048 267 K CA 1.398 57.775 56.287 0.150 0.000 0.928 267 K CB -0.651 31.932 32.500 0.139 0.000 0.713 267 K HN 0.187 nan 8.250 nan 0.000 0.442 268 G N 1.723 110.547 108.800 0.039 0.000 2.440 268 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 268 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 268 G C 1.765 176.667 174.900 0.004 0.000 1.154 268 G CA 0.929 46.033 45.100 0.007 0.000 0.767 268 G HN 0.321 nan 8.290 nan 0.000 0.552 269 I N 0.634 121.197 120.570 -0.011 0.000 2.163 269 I HA -0.197 3.973 4.170 -0.000 0.000 0.243 269 I C 2.778 178.903 176.117 0.013 0.000 1.085 269 I CA 0.970 62.272 61.300 0.004 0.000 1.347 269 I CB -0.231 37.771 38.000 0.004 0.000 1.044 269 I HN 0.112 nan 8.210 nan 0.000 0.408 270 M N 0.207 119.822 119.600 0.026 0.000 2.213 270 M HA -0.163 4.317 4.480 -0.000 0.000 0.263 270 M C 1.815 178.128 176.300 0.021 0.000 1.062 270 M CA 1.478 56.801 55.300 0.039 0.000 1.105 270 M CB -1.798 30.860 32.600 0.096 0.000 1.385 270 M HN 0.219 nan 8.290 nan 0.000 0.417 271 N N 0.610 119.324 118.700 0.023 0.000 2.272 271 N HA -0.093 4.647 4.740 -0.000 0.000 0.185 271 N C 1.790 177.295 175.510 -0.009 0.000 1.014 271 N CA 1.557 54.613 53.050 0.010 0.000 0.870 271 N CB -0.519 37.986 38.487 0.029 0.000 0.975 271 N HN 0.536 nan 8.380 nan 0.000 0.433 272 G N -0.409 108.387 108.800 -0.007 0.000 2.576 272 G HA2 0.063 4.023 3.960 -0.000 0.000 0.210 272 G HA3 0.063 4.023 3.960 -0.000 0.000 0.210 272 G C 1.522 176.381 174.900 -0.068 0.000 1.143 272 G CA -0.092 44.990 45.100 -0.030 0.000 0.819 272 G HN 0.204 nan 8.290 nan 0.000 0.534 273 I N 0.993 121.535 120.570 -0.047 0.000 2.233 273 I HA -0.062 4.108 4.170 -0.000 0.000 0.243 273 I C 2.226 178.319 176.117 -0.040 0.000 1.093 273 I CA 1.003 62.272 61.300 -0.052 0.000 1.380 273 I CB -0.194 37.791 38.000 -0.025 0.000 1.067 273 I HN -0.004 nan 8.210 nan 0.000 0.413 274 D N 1.112 121.499 120.400 -0.022 0.000 2.104 274 D HA -0.139 4.501 4.640 -0.000 0.000 0.194 274 D C -0.531 175.722 176.300 -0.078 0.000 0.994 274 D CA 1.633 55.618 54.000 -0.025 0.000 0.830 274 D CB -1.498 39.267 40.800 -0.058 0.000 0.959 274 D HN 0.208 nan 8.370 nan 0.000 0.452 275 P HA -0.124 nan 4.420 nan 0.000 0.216 275 P C 1.557 178.773 177.300 -0.139 0.000 1.150 275 P CA 0.726 63.744 63.100 -0.137 0.000 0.843 275 P CB 0.034 31.656 31.700 -0.130 0.000 0.787 276 L N -1.312 119.831 121.223 -0.133 0.000 2.141 276 L HA -0.090 4.250 4.340 -0.000 0.000 0.209 276 L C 1.897 178.716 176.870 -0.086 0.000 1.094 276 L CA 1.790 56.545 54.840 -0.142 0.000 0.763 276 L CB -1.021 40.939 42.059 -0.164 0.000 0.908 276 L HN -0.134 nan 8.230 nan 0.000 0.437 277 I N -1.221 119.326 120.570 -0.038 0.000 2.286 277 I HA -0.153 4.017 4.170 -0.000 0.000 0.245 277 I C 2.498 178.652 176.117 0.061 0.000 1.104 277 I CA 0.988 62.304 61.300 0.026 0.000 1.397 277 I CB -1.234 36.819 38.000 0.088 0.000 1.072 277 I HN 0.066 nan 8.210 nan 0.000 0.417 278 V N 1.462 121.405 119.914 0.048 0.000 2.407 278 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 278 V C 2.806 178.910 176.094 0.016 0.000 1.055 278 V CA 1.636 63.980 62.300 0.072 0.000 1.049 278 V CB -1.107 30.690 31.823 -0.044 0.000 0.662 278 V HN 0.431 nan 8.190 nan 0.000 0.455 279 A N 0.811 123.602 122.820 -0.049 0.000 1.930 279 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 279 A C 2.366 179.931 177.584 -0.032 0.000 1.175 279 A CA 2.183 54.181 52.037 -0.065 0.000 0.627 279 A CB -0.840 18.048 19.000 -0.186 0.000 0.815 279 A HN 0.620 nan 8.150 nan 0.000 0.443 280 T N -3.879 110.659 114.554 -0.026 0.000 3.148 280 T HA 0.372 4.722 4.350 -0.000 0.000 0.253 280 T C 1.350 176.055 174.700 0.008 0.000 1.134 280 T CA 1.029 63.121 62.100 -0.012 0.000 1.051 280 T CB -0.145 68.713 68.868 -0.018 0.000 0.959 280 T HN 1.688 nan 8.240 nan 0.000 0.525 281 G N 1.369 110.182 108.800 0.022 0.000 2.143 281 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.248 281 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.248 281 G C -0.076 174.868 174.900 0.073 0.000 0.991 281 G CA -0.196 44.938 45.100 0.057 0.000 0.689 281 G HN 0.589 nan 8.290 nan 0.000 0.522 282 N N 0.441 119.185 118.700 0.073 0.000 2.495 282 N HA 0.265 5.005 4.740 -0.000 0.000 0.280 282 N C -0.678 174.884 175.510 0.086 0.000 1.168 282 N CA -0.464 52.623 53.050 0.062 0.000 0.978 282 N CB 0.812 39.326 38.487 0.044 0.000 1.191 282 N HN 0.184 nan 8.380 nan 0.000 0.497 283 D N 1.485 121.896 120.400 0.018 0.000 2.348 283 D HA -0.037 4.603 4.640 -0.000 0.000 0.259 283 D C 1.013 177.309 176.300 -0.007 0.000 1.296 283 D CA -0.256 53.701 54.000 -0.072 0.000 0.931 283 D CB 0.274 41.008 40.800 -0.110 0.000 1.067 283 D HN 0.554 nan 8.370 nan 0.000 0.503 284 W N 5.233 126.534 121.300 0.002 0.000 2.425 284 W HA -0.014 4.646 4.660 0.000 0.000 0.277 284 W C 1.548 178.077 176.519 0.016 0.000 1.231 284 W CA 0.217 57.565 57.345 0.005 0.000 1.248 284 W CB -0.337 29.125 29.460 0.003 0.000 1.117 284 W HN 0.274 nan 8.180 nan 0.000 0.568 285 R N 0.794 121.074 120.500 -0.368 0.000 2.115 285 R HA 0.018 4.358 4.340 -0.000 0.000 0.230 285 R C 2.615 178.884 176.300 -0.051 0.000 1.111 285 R CA 1.665 57.639 56.100 -0.210 0.000 0.976 285 R CB -0.742 29.320 30.300 -0.397 0.000 0.870 285 R HN 0.301 nan 8.270 nan 0.000 0.445 286 A N 0.431 123.213 122.820 -0.062 0.000 1.930 286 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 286 A C 2.253 179.859 177.584 0.037 0.000 1.175 286 A CA 1.209 53.239 52.037 -0.012 0.000 0.627 286 A CB -0.405 18.581 19.000 -0.024 0.000 0.815 286 A HN 0.109 nan 8.150 nan 0.000 0.443 287 V N 0.272 120.221 119.914 0.059 0.000 2.343 287 V HA -0.207 3.913 4.120 -0.000 0.000 0.247 287 V C 2.531 178.693 176.094 0.114 0.000 1.051 287 V CA 2.048 64.393 62.300 0.076 0.000 1.036 287 V CB -0.686 31.192 31.823 0.092 0.000 0.654 287 V HN 0.519 nan 8.190 nan 0.000 0.451 288 E N 0.355 120.656 120.200 0.168 0.000 2.072 288 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 288 E C 2.392 179.158 176.600 0.277 0.000 0.985 288 E CA 1.467 58.022 56.400 0.259 0.000 0.801 288 E CB -0.398 29.465 29.700 0.272 0.000 0.750 288 E HN 0.565 nan 8.360 nan 0.000 0.452 289 A N 1.069 123.987 122.820 0.162 0.000 1.877 289 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 289 A C 2.467 180.140 177.584 0.149 0.000 1.186 289 A CA 1.931 54.049 52.037 0.134 0.000 0.620 289 A CB -0.994 18.047 19.000 0.069 0.000 0.822 289 A HN 0.336 nan 8.150 nan 0.000 0.443 290 G N -0.998 107.872 108.800 0.116 0.000 2.448 290 G HA2 0.139 4.099 3.960 -0.000 0.000 0.218 290 G HA3 0.139 4.099 3.960 -0.000 0.000 0.218 290 G C 1.607 176.576 174.900 0.115 0.000 1.135 290 G CA 1.262 46.423 45.100 0.102 0.000 0.784 290 G HN 0.731 nan 8.290 nan 0.000 0.543 291 A N 0.809 123.694 122.820 0.109 0.000 1.840 291 A HA 0.023 4.343 4.320 -0.000 0.000 0.214 291 A C 2.085 179.713 177.584 0.074 0.000 1.198 291 A CA 1.746 53.817 52.037 0.057 0.000 0.608 291 A CB -0.741 18.251 19.000 -0.012 0.000 0.839 291 A HN 0.413 nan 8.150 nan 0.000 0.443 292 H N -0.401 118.770 119.070 0.169 0.000 2.387 292 H HA 0.091 4.647 4.556 -0.000 0.000 0.299 292 H C 2.370 177.834 175.328 0.227 0.000 1.090 292 H CA 1.501 57.691 56.048 0.235 0.000 1.332 292 H CB -0.079 29.822 29.762 0.231 0.000 1.386 292 H HN 0.516 nan 8.280 nan 0.000 0.516 293 A N 0.046 123.039 122.820 0.288 0.000 1.930 293 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 293 A C 2.008 179.708 177.584 0.193 0.000 1.175 293 A CA 1.417 53.581 52.037 0.212 0.000 0.627 293 A CB -0.826 18.277 19.000 0.172 0.000 0.815 293 A HN 0.563 nan 8.150 nan 0.000 0.443 294 Y N 0.392 120.730 120.300 0.063 0.000 2.439 294 Y HA 0.110 4.660 4.550 -0.000 0.000 0.292 294 Y C 2.429 178.321 175.900 -0.013 0.000 1.130 294 Y CA 0.555 58.670 58.100 0.025 0.000 1.254 294 Y CB -0.254 38.213 38.460 0.011 0.000 1.000 294 Y HN 0.300 nan 8.280 nan 0.000 0.554 295 A N -0.932 121.890 122.820 0.004 0.000 2.066 295 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 295 A C 1.624 179.064 177.584 -0.240 0.000 1.157 295 A CA 1.138 53.055 52.037 -0.200 0.000 0.670 295 A CB -1.256 17.530 19.000 -0.356 0.000 0.804 295 A HN 0.650 nan 8.150 nan 0.000 0.453 296 C N -1.146 118.117 119.300 -0.060 0.000 2.660 296 C HA 0.527 4.987 4.460 -0.000 0.000 0.265 296 C C 1.626 176.608 174.990 -0.013 0.000 1.573 296 C CA -0.264 58.755 59.018 0.002 0.000 1.751 296 C CB -1.440 26.402 27.740 0.171 0.000 3.033 296 C HN 0.653 nan 8.230 nan 0.000 0.511 297 R N 1.233 121.675 120.500 -0.096 0.000 2.235 297 R HA -0.009 4.331 4.340 -0.000 0.000 0.213 297 R C 1.205 177.467 176.300 -0.062 0.000 1.059 297 R CA 1.662 57.708 56.100 -0.091 0.000 0.997 297 R CB -0.485 29.689 30.300 -0.209 0.000 0.884 297 R HN 0.594 nan 8.270 nan 0.000 0.462 298 S N -0.511 115.158 115.700 -0.052 0.000 2.573 298 S HA 0.310 4.780 4.470 -0.000 0.000 0.244 298 S C 1.075 175.694 174.600 0.032 0.000 0.984 298 S CA -0.185 58.005 58.200 -0.017 0.000 1.001 298 S CB 0.613 63.797 63.200 -0.026 0.000 0.788 298 S HN 0.579 nan 8.310 nan 0.000 0.456 299 G N 1.209 110.033 108.800 0.039 0.000 2.166 299 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.260 299 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.260 299 G C -0.097 174.879 174.900 0.127 0.000 0.986 299 G CA 0.605 45.743 45.100 0.063 0.000 0.683 299 G HN 0.853 nan 8.290 nan 0.000 0.527 300 H N -1.681 117.392 119.070 0.005 0.000 3.017 300 H HA 0.330 4.886 4.556 -0.000 0.000 0.340 300 H C -1.090 174.255 175.328 0.029 0.000 1.014 300 H CA -0.859 55.199 56.048 0.017 0.000 1.341 300 H CB 1.100 30.856 29.762 -0.010 0.000 1.739 300 H HN 0.120 nan 8.280 nan 0.000 0.506 301 Y N 5.052 125.068 120.300 -0.473 0.000 2.730 301 Y HA 0.284 4.834 4.550 -0.000 0.000 0.354 301 Y C 0.188 175.833 175.900 -0.425 0.000 1.139 301 Y CA 0.921 58.814 58.100 -0.345 0.000 1.516 301 Y CB -0.069 38.232 38.460 -0.265 0.000 1.204 301 Y HN 0.703 nan 8.280 nan 0.000 0.520 302 G N 2.738 111.210 108.800 -0.545 0.000 3.075 302 G HA2 0.340 4.300 3.960 -0.000 0.000 0.253 302 G HA3 0.340 4.300 3.960 -0.000 0.000 0.253 302 G C -1.011 173.655 174.900 -0.390 0.000 1.353 302 G CA -0.974 43.919 45.100 -0.346 0.000 1.051 302 G HN 0.508 nan 8.290 nan 0.000 0.553 303 S N -1.339 114.248 115.700 -0.189 0.000 2.564 303 S HA 0.202 4.672 4.470 -0.000 0.000 0.278 303 S C 1.429 176.034 174.600 0.007 0.000 1.333 303 S CA -0.593 57.567 58.200 -0.068 0.000 1.048 303 S CB 0.587 63.785 63.200 -0.004 0.000 0.900 303 S HN 0.372 nan 8.310 nan 0.000 0.505 304 L N 2.941 124.210 121.223 0.076 0.000 2.209 304 L HA 0.100 4.440 4.340 -0.000 0.000 0.207 304 L C 1.352 178.274 176.870 0.087 0.000 1.094 304 L CA 0.563 55.441 54.840 0.064 0.000 0.790 304 L CB -0.316 41.770 42.059 0.044 0.000 0.932 304 L HN 0.720 nan 8.230 nan 0.000 0.447 305 T N -2.698 111.948 114.554 0.154 0.000 2.927 305 T HA 0.481 4.831 4.350 -0.000 0.000 0.281 305 T C 0.011 174.655 174.700 -0.094 0.000 0.998 305 T CA -0.536 61.573 62.100 0.015 0.000 1.019 305 T CB 1.730 70.650 68.868 0.087 0.000 1.061 305 T HN 0.120 nan 8.240 nan 0.000 0.518 306 T N -1.182 113.076 114.554 -0.493 0.000 2.881 306 T HA 0.573 4.923 4.350 -0.000 0.000 0.290 306 T C -1.735 172.286 174.700 -1.132 0.000 1.000 306 T CA -0.876 60.788 62.100 -0.728 0.000 0.978 306 T CB 0.700 69.350 68.868 -0.362 0.000 0.997 306 T HN 0.769 nan 8.240 nan 0.000 0.443 307 W N 2.037 122.693 121.300 -1.072 0.000 2.411 307 W HA 0.605 5.265 4.660 -0.000 0.000 0.317 307 W C 0.163 176.478 176.519 -0.340 0.000 1.030 307 W CA -0.532 56.497 57.345 -0.526 0.000 1.239 307 W CB 1.428 30.694 29.460 -0.323 0.000 1.304 307 W HN 0.752 nan 8.180 nan 0.000 0.437 308 E N 1.384 121.587 120.200 0.004 0.000 2.378 308 E HA 0.459 4.809 4.350 -0.000 0.000 0.265 308 E C -1.144 175.512 176.600 0.092 0.000 0.932 308 E CA -1.508 54.921 56.400 0.048 0.000 0.795 308 E CB 2.456 32.150 29.700 -0.009 0.000 1.296 308 E HN 0.138 nan 8.360 nan 0.000 0.438 309 K N 2.366 122.813 120.400 0.078 0.000 2.527 309 K HA 0.116 4.436 4.320 -0.000 0.000 0.240 309 K C -1.119 175.504 176.600 0.039 0.000 0.989 309 K CA -0.632 55.699 56.287 0.073 0.000 0.985 309 K CB 0.416 32.960 32.500 0.074 0.000 1.221 309 K HN 0.494 nan 8.250 nan 0.000 0.458 310 D N 2.568 122.985 120.400 0.030 0.000 2.406 310 D HA -0.143 4.497 4.640 -0.000 0.000 0.234 310 D C 0.585 176.869 176.300 -0.028 0.000 1.196 310 D CA 0.050 54.050 54.000 -0.001 0.000 0.881 310 D CB 0.538 41.337 40.800 -0.002 0.000 1.205 310 D HN 0.611 nan 8.370 nan 0.000 0.453 311 N N 0.081 118.761 118.700 -0.033 0.000 2.666 311 N HA -0.195 4.545 4.740 -0.000 0.000 0.194 311 N C 0.467 175.930 175.510 -0.079 0.000 1.220 311 N CA 0.449 53.474 53.050 -0.041 0.000 0.928 311 N CB -0.512 37.958 38.487 -0.029 0.000 0.997 311 N HN 0.553 nan 8.380 nan 0.000 0.447 312 N N -0.892 117.727 118.700 -0.135 0.000 2.205 312 N HA 0.089 4.829 4.740 -0.000 0.000 0.201 312 N C 0.644 175.940 175.510 -0.357 0.000 1.128 312 N CA 0.500 53.392 53.050 -0.263 0.000 0.867 312 N CB 0.276 38.551 38.487 -0.353 0.000 0.996 312 N HN 0.428 nan 8.380 nan 0.000 0.503 313 G N 0.567 109.258 108.800 -0.181 0.000 2.268 313 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.240 313 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.240 313 G C -0.077 174.835 174.900 0.020 0.000 1.010 313 G CA 0.136 45.185 45.100 -0.084 0.000 0.618 313 G HN 0.568 nan 8.290 nan 0.000 0.516 314 H N -0.404 118.673 119.070 0.013 0.000 2.679 314 H HA 0.460 5.016 4.556 -0.000 0.000 0.369 314 H C 0.184 175.531 175.328 0.032 0.000 1.178 314 H CA -0.421 55.635 56.048 0.014 0.000 1.419 314 H CB 1.400 31.163 29.762 0.002 0.000 1.458 314 H HN 0.240 nan 8.280 nan 0.000 0.605 315 L N 3.571 124.904 121.223 0.183 0.000 2.260 315 L HA 0.222 4.562 4.340 -0.000 0.000 0.289 315 L C -0.737 176.246 176.870 0.188 0.000 1.057 315 L CA -0.492 54.452 54.840 0.174 0.000 0.811 315 L CB 0.438 42.586 42.059 0.149 0.000 1.184 315 L HN 0.458 nan 8.230 nan 0.000 0.429 316 V N 2.733 122.735 119.914 0.146 0.000 2.417 316 V HA 1.006 5.126 4.120 -0.000 0.000 0.291 316 V C 0.249 176.256 176.094 -0.144 0.000 1.024 316 V CA -0.112 62.204 62.300 0.027 0.000 0.861 316 V CB 0.812 32.625 31.823 -0.018 0.000 0.985 316 V HN 0.841 nan 8.190 nan 0.000 0.436 317 G N 2.739 111.276 108.800 -0.438 0.000 2.481 317 G HA2 0.829 4.789 3.960 -0.000 0.000 0.315 317 G HA3 0.829 4.789 3.960 -0.000 0.000 0.315 317 G C -0.436 174.005 174.900 -0.764 0.000 1.231 317 G CA -0.104 44.227 45.100 -1.280 0.000 0.968 317 G HN 1.309 nan 8.290 nan 0.000 0.482 318 T N -2.042 112.083 114.554 -0.716 0.000 2.865 318 T HA 0.738 5.088 4.350 -0.000 0.000 0.294 318 T C -1.544 172.990 174.700 -0.276 0.000 1.119 318 T CA -0.855 61.029 62.100 -0.360 0.000 1.007 318 T CB 2.011 70.736 68.868 -0.238 0.000 1.225 318 T HN 1.124 nan 8.240 nan 0.000 0.515 319 L N 0.620 121.764 121.223 -0.132 0.000 2.562 319 L HA 0.697 5.037 4.340 -0.000 0.000 0.266 319 L C -1.285 175.566 176.870 -0.032 0.000 0.949 319 L CA -0.352 54.450 54.840 -0.064 0.000 0.879 319 L CB 1.800 43.842 42.059 -0.029 0.000 1.278 319 L HN 1.045 nan 8.230 nan 0.000 0.404 320 E N 6.389 126.590 120.200 0.001 0.000 2.260 320 E HA 0.782 5.132 4.350 -0.000 0.000 0.266 320 E C -1.450 175.154 176.600 0.007 0.000 0.887 320 E CA -0.538 55.865 56.400 0.004 0.000 0.777 320 E CB 1.347 31.073 29.700 0.043 0.000 1.205 320 E HN 0.742 nan 8.360 nan 0.000 0.414 321 M N 1.271 120.777 119.600 -0.157 0.000 2.732 321 M HA 0.546 5.026 4.480 -0.000 0.000 0.272 321 M C -2.952 173.121 176.300 -0.379 0.000 1.203 321 M CA -2.223 52.871 55.300 -0.343 0.000 0.841 321 M CB 1.923 34.457 32.600 -0.110 0.000 1.685 321 M HN 0.042 nan 8.290 nan 0.000 0.492 322 P HA 0.254 nan 4.420 nan 0.000 0.267 322 P C -1.018 176.195 177.300 -0.144 0.000 1.205 322 P CA 0.121 63.056 63.100 -0.274 0.000 0.765 322 P CB 0.362 31.934 31.700 -0.214 0.000 0.828 323 M N 6.049 125.583 119.600 -0.110 0.000 2.389 323 M HA 0.310 4.790 4.480 -0.000 0.000 0.206 323 M C -2.583 173.688 176.300 -0.049 0.000 0.976 323 M CA -2.558 52.700 55.300 -0.069 0.000 0.648 323 M CB 1.140 33.697 32.600 -0.071 0.000 1.474 323 M HN 0.013 nan 8.290 nan 0.000 0.398 324 P HA 0.180 nan 4.420 nan 0.000 0.260 324 P C -0.815 176.478 177.300 -0.012 0.000 1.651 324 P CA 0.118 63.206 63.100 -0.021 0.000 1.139 324 P CB 0.557 32.252 31.700 -0.008 0.000 1.756 325 V N 2.843 122.746 119.914 -0.017 0.000 3.001 325 V HA 0.909 5.029 4.120 -0.000 0.000 0.314 325 V C -0.056 176.031 176.094 -0.012 0.000 1.099 325 V CA -0.507 61.787 62.300 -0.011 0.000 0.989 325 V CB 2.363 34.176 31.823 -0.016 0.000 1.040 325 V HN 0.571 nan 8.190 nan 0.000 0.434 326 G N 2.613 111.409 108.800 -0.007 0.000 3.105 326 G HA2 0.612 4.572 3.960 -0.000 0.000 0.277 326 G HA3 0.612 4.572 3.960 -0.000 0.000 0.277 326 G C -0.533 174.364 174.900 -0.005 0.000 1.375 326 G CA -0.356 44.740 45.100 -0.006 0.000 0.962 326 G HN 0.764 nan 8.290 nan 0.000 0.541 327 L N -0.814 120.408 121.223 -0.003 0.000 3.154 327 L HA 0.157 4.497 4.340 -0.000 0.000 0.280 327 L C 1.738 178.611 176.870 0.004 0.000 1.134 327 L CA 0.288 55.128 54.840 -0.000 0.000 1.037 327 L CB 0.897 42.954 42.059 -0.004 0.000 1.571 327 L HN 0.424 nan 8.230 nan 0.000 0.576 328 V N -2.790 117.126 119.914 0.004 0.000 3.376 328 V HA 0.461 4.581 4.120 -0.000 0.000 0.313 328 V C 1.082 177.181 176.094 0.007 0.000 1.393 328 V CA 0.019 62.322 62.300 0.005 0.000 1.125 328 V CB -0.621 31.204 31.823 0.003 0.000 1.037 328 V HN 0.136 nan 8.190 nan 0.000 0.440 329 G N 0.692 109.497 108.800 0.008 0.000 2.744 329 G HA2 0.368 4.328 3.960 -0.000 0.000 0.257 329 G HA3 0.368 4.328 3.960 -0.000 0.000 0.257 329 G C 1.023 175.932 174.900 0.014 0.000 1.244 329 G CA 0.169 45.274 45.100 0.009 0.000 0.916 329 G HN 0.539 nan 8.290 nan 0.000 0.564 330 G N -0.118 108.690 108.800 0.012 0.000 2.464 330 G HA2 0.074 4.034 3.960 -0.000 0.000 0.214 330 G HA3 0.074 4.034 3.960 -0.000 0.000 0.214 330 G C 1.990 176.908 174.900 0.029 0.000 1.218 330 G CA 1.764 46.874 45.100 0.015 0.000 0.794 330 G HN 1.014 nan 8.290 nan 0.000 0.542 331 A N -0.062 122.781 122.820 0.038 0.000 2.066 331 A HA 0.095 4.415 4.320 -0.000 0.000 0.218 331 A C 2.465 180.103 177.584 0.090 0.000 1.157 331 A CA 2.211 54.290 52.037 0.070 0.000 0.670 331 A CB -0.664 18.383 19.000 0.078 0.000 0.804 331 A HN 0.312 nan 8.150 nan 0.000 0.453 332 T N -0.312 114.278 114.554 0.060 0.000 2.821 332 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 332 T C 1.926 176.660 174.700 0.058 0.000 1.046 332 T CA 1.778 63.910 62.100 0.054 0.000 1.139 332 T CB -0.085 68.801 68.868 0.031 0.000 0.871 332 T HN 0.330 nan 8.240 nan 0.000 0.454 333 K N 0.828 121.257 120.400 0.049 0.000 2.262 333 K HA 0.072 4.392 4.320 -0.000 0.000 0.200 333 K C 2.490 179.120 176.600 0.049 0.000 1.049 333 K CA 0.848 57.160 56.287 0.041 0.000 0.979 333 K CB -0.271 32.245 32.500 0.026 0.000 0.773 333 K HN 0.521 nan 8.250 nan 0.000 0.474 334 T N -2.301 112.289 114.554 0.060 0.000 3.057 334 T HA 0.023 4.373 4.350 -0.000 0.000 0.254 334 T C 0.607 175.347 174.700 0.067 0.000 1.094 334 T CA 0.107 62.235 62.100 0.047 0.000 1.088 334 T CB -0.177 68.708 68.868 0.027 0.000 0.934 334 T HN -0.017 nan 8.240 nan 0.000 0.497 335 H N 2.649 121.732 119.070 0.022 0.000 2.652 335 H HA 0.341 4.897 4.556 0.000 0.000 0.298 335 H C -2.060 173.280 175.328 0.019 0.000 1.076 335 H CA -2.569 53.495 56.048 0.027 0.000 1.360 335 H CB 1.870 31.659 29.762 0.045 0.000 1.421 335 H HN -0.015 nan 8.280 nan 0.000 0.464 336 P HA -0.158 nan 4.420 nan 0.000 0.216 336 P C 1.582 178.981 177.300 0.166 0.000 1.150 336 P CA 1.150 64.352 63.100 0.169 0.000 0.843 336 P CB 0.393 32.147 31.700 0.090 0.000 0.787 337 L N -1.829 119.554 121.223 0.267 0.000 2.209 337 L HA 0.005 4.345 4.340 -0.000 0.000 0.207 337 L C 2.416 179.256 176.870 -0.049 0.000 1.094 337 L CA 0.963 55.798 54.840 -0.009 0.000 0.790 337 L CB -0.984 40.998 42.059 -0.128 0.000 0.932 337 L HN -0.061 nan 8.230 nan 0.000 0.447 338 A N -0.397 122.364 122.820 -0.099 0.000 1.940 338 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 338 A C 2.246 179.840 177.584 0.016 0.000 1.176 338 A CA 1.342 53.354 52.037 -0.042 0.000 0.631 338 A CB -0.315 18.688 19.000 0.005 0.000 0.814 338 A HN 0.369 nan 8.150 nan 0.000 0.446 339 Q N -1.141 118.681 119.800 0.037 0.000 2.123 339 Q HA -0.099 4.241 4.340 -0.000 0.000 0.199 339 Q C 2.083 178.096 176.000 0.021 0.000 0.966 339 Q CA 1.235 57.056 55.803 0.029 0.000 0.845 339 Q CB -0.436 28.322 28.738 0.033 0.000 0.907 339 Q HN 0.603 nan 8.270 nan 0.000 0.439 340 L N 0.546 121.782 121.223 0.021 0.000 2.093 340 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 340 L C 2.140 179.038 176.870 0.048 0.000 1.085 340 L CA 1.504 56.354 54.840 0.017 0.000 0.755 340 L CB -0.524 41.527 42.059 -0.013 0.000 0.904 340 L HN -0.026 nan 8.230 nan 0.000 0.435 341 S N -0.473 115.273 115.700 0.076 0.000 2.368 341 S HA -0.118 4.352 4.470 -0.000 0.000 0.225 341 S C 1.884 176.499 174.600 0.025 0.000 1.030 341 S CA 1.602 59.856 58.200 0.090 0.000 0.999 341 S CB -0.381 62.863 63.200 0.074 0.000 0.844 341 S HN 0.467 nan 8.310 nan 0.000 0.459 342 L N 0.720 121.950 121.223 0.012 0.000 2.141 342 L HA -0.037 4.303 4.340 -0.000 0.000 0.209 342 L C 2.654 179.522 176.870 -0.003 0.000 1.094 342 L CA 1.093 55.931 54.840 -0.003 0.000 0.763 342 L CB -0.407 41.651 42.059 -0.001 0.000 0.908 342 L HN 0.228 nan 8.230 nan 0.000 0.437 343 R N 0.745 121.248 120.500 0.005 0.000 2.092 343 R HA -0.102 4.238 4.340 -0.000 0.000 0.231 343 R C 2.296 178.597 176.300 0.001 0.000 1.119 343 R CA 1.207 57.308 56.100 0.002 0.000 0.970 343 R CB -0.095 30.207 30.300 0.003 0.000 0.864 343 R HN 0.283 nan 8.270 nan 0.000 0.440 344 I N 0.679 121.255 120.570 0.009 0.000 2.252 344 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 344 I C 2.045 178.152 176.117 -0.017 0.000 1.102 344 I CA 1.090 62.393 61.300 0.004 0.000 1.385 344 I CB -0.173 37.844 38.000 0.028 0.000 1.064 344 I HN 0.238 nan 8.210 nan 0.000 0.414 345 L N 0.454 121.662 121.223 -0.025 0.000 2.093 345 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 345 L C 1.840 178.690 176.870 -0.032 0.000 1.085 345 L CA 1.226 56.040 54.840 -0.044 0.000 0.755 345 L CB -0.787 41.239 42.059 -0.055 0.000 0.904 345 L HN 0.533 nan 8.230 nan 0.000 0.435 346 G N -0.025 108.762 108.800 -0.021 0.000 2.162 346 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.260 346 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.260 346 G C 0.423 175.313 174.900 -0.017 0.000 0.976 346 G CA 0.246 45.336 45.100 -0.016 0.000 0.655 346 G HN 0.304 nan 8.290 nan 0.000 0.533 347 V N -2.335 117.566 119.914 -0.022 0.000 2.740 347 V HA 0.630 4.750 4.120 -0.000 0.000 0.303 347 V C 1.185 177.270 176.094 -0.016 0.000 1.054 347 V CA 0.319 62.605 62.300 -0.023 0.000 1.106 347 V CB 1.421 33.226 31.823 -0.031 0.000 0.957 347 V HN 0.063 nan 8.190 nan 0.000 0.486 348 K N 1.959 122.350 120.400 -0.014 0.000 2.391 348 K HA 0.225 4.545 4.320 -0.000 0.000 0.197 348 K C 0.714 177.307 176.600 -0.011 0.000 1.087 348 K CA 0.908 57.188 56.287 -0.010 0.000 1.012 348 K CB 0.745 33.240 32.500 -0.008 0.000 0.925 348 K HN 1.030 nan 8.250 nan 0.000 0.547 349 T N -3.759 110.786 114.554 -0.014 0.000 2.901 349 T HA 0.630 4.980 4.350 -0.000 0.000 0.293 349 T C 1.048 175.736 174.700 -0.019 0.000 1.084 349 T CA -0.353 61.738 62.100 -0.015 0.000 1.008 349 T CB 2.016 70.875 68.868 -0.015 0.000 1.170 349 T HN -0.111 nan 8.240 nan 0.000 0.509 350 A N 0.323 123.132 122.820 -0.019 0.000 1.898 350 A HA -0.033 4.287 4.320 -0.000 0.000 0.216 350 A C 2.223 179.790 177.584 -0.028 0.000 1.181 350 A CA 1.012 53.036 52.037 -0.022 0.000 0.620 350 A CB -0.877 18.112 19.000 -0.019 0.000 0.819 350 A HN 0.720 nan 8.150 nan 0.000 0.442 351 Q N -0.348 119.436 119.800 -0.028 0.000 2.224 351 Q HA -0.040 4.300 4.340 -0.000 0.000 0.203 351 Q C 2.278 178.259 176.000 -0.033 0.000 0.970 351 Q CA 1.369 57.153 55.803 -0.032 0.000 0.865 351 Q CB -0.750 27.971 28.738 -0.029 0.000 0.922 351 Q HN 0.670 nan 8.270 nan 0.000 0.445 352 A N 0.570 123.373 122.820 -0.029 0.000 1.898 352 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 352 A C 2.075 179.634 177.584 -0.042 0.000 1.181 352 A CA 1.184 53.203 52.037 -0.030 0.000 0.620 352 A CB -0.507 18.478 19.000 -0.025 0.000 0.819 352 A HN 0.343 nan 8.150 nan 0.000 0.442 353 L N -0.397 120.799 121.223 -0.045 0.000 2.156 353 L HA 0.062 4.402 4.340 -0.000 0.000 0.208 353 L C 2.557 179.388 176.870 -0.065 0.000 1.095 353 L CA 1.926 56.732 54.840 -0.057 0.000 0.770 353 L CB -0.711 41.319 42.059 -0.047 0.000 0.914 353 L HN 0.314 nan 8.230 nan 0.000 0.439 354 A N -0.584 122.203 122.820 -0.054 0.000 1.902 354 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 354 A C 2.161 179.708 177.584 -0.063 0.000 1.181 354 A CA 1.798 53.801 52.037 -0.057 0.000 0.623 354 A CB -0.609 18.361 19.000 -0.051 0.000 0.818 354 A HN 0.600 nan 8.150 nan 0.000 0.443 355 E N -0.400 119.767 120.200 -0.055 0.000 2.153 355 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 355 E C 1.825 178.383 176.600 -0.070 0.000 0.988 355 E CA 1.123 57.494 56.400 -0.049 0.000 0.811 355 E CB -0.259 29.422 29.700 -0.031 0.000 0.746 355 E HN 0.712 nan 8.360 nan 0.000 0.466 356 I N 0.911 121.423 120.570 -0.096 0.000 2.353 356 I HA -0.195 3.975 4.170 -0.000 0.000 0.248 356 I C 2.516 178.510 176.117 -0.206 0.000 1.119 356 I CA 0.640 61.845 61.300 -0.158 0.000 1.417 356 I CB -0.236 37.665 38.000 -0.164 0.000 1.078 356 I HN 0.066 nan 8.210 nan 0.000 0.421 357 A N 0.861 123.589 122.820 -0.153 0.000 1.902 357 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 357 A C 2.357 179.868 177.584 -0.121 0.000 1.181 357 A CA 2.007 53.958 52.037 -0.144 0.000 0.623 357 A CB -0.961 17.981 19.000 -0.096 0.000 0.818 357 A HN 0.365 nan 8.150 nan 0.000 0.443 358 V N -3.011 116.849 119.914 -0.091 0.000 2.871 358 V HA 0.156 4.276 4.120 -0.000 0.000 0.256 358 V C 2.329 178.395 176.094 -0.046 0.000 1.082 358 V CA 1.457 63.723 62.300 -0.058 0.000 1.105 358 V CB -1.071 30.726 31.823 -0.044 0.000 0.713 358 V HN 0.466 nan 8.190 nan 0.000 0.473 359 A N 0.566 123.325 122.820 -0.101 0.000 1.930 359 A HA 0.033 4.353 4.320 -0.000 0.000 0.215 359 A C 2.294 179.754 177.584 -0.207 0.000 1.176 359 A CA 1.711 53.656 52.037 -0.155 0.000 0.632 359 A CB -0.625 18.215 19.000 -0.267 0.000 0.819 359 A HN 0.404 nan 8.150 nan 0.000 0.445 360 V N 0.002 119.761 119.914 -0.257 0.000 2.427 360 V HA -0.151 3.969 4.120 -0.000 0.000 0.248 360 V C 2.748 178.841 176.094 -0.003 0.000 1.051 360 V CA 1.876 64.041 62.300 -0.224 0.000 1.048 360 V CB -1.284 30.277 31.823 -0.438 0.000 0.666 360 V HN 0.592 nan 8.190 nan 0.000 0.456 361 G N -0.101 108.686 108.800 -0.021 0.000 2.404 361 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.215 361 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.215 361 G C 1.562 176.521 174.900 0.098 0.000 1.174 361 G CA 0.955 46.071 45.100 0.028 0.000 0.780 361 G HN 0.442 nan 8.290 nan 0.000 0.537 362 L N 1.471 122.771 121.223 0.128 0.000 2.079 362 L HA 0.123 4.463 4.340 -0.000 0.000 0.210 362 L C 2.936 180.018 176.870 0.353 0.000 1.081 362 L CA 2.091 57.065 54.840 0.224 0.000 0.752 362 L CB -0.653 41.531 42.059 0.208 0.000 0.896 362 L HN 0.231 nan 8.230 nan 0.000 0.433 363 A N -1.003 122.031 122.820 0.356 0.000 1.873 363 A HA -0.240 4.080 4.320 -0.000 0.000 0.215 363 A C 2.263 179.978 177.584 0.219 0.000 1.186 363 A CA 1.537 53.797 52.037 0.371 0.000 0.616 363 A CB -0.721 18.500 19.000 0.369 0.000 0.823 363 A HN 0.557 nan 8.150 nan 0.000 0.442 364 Q N 0.610 120.517 119.800 0.178 0.000 2.061 364 Q HA -0.230 4.110 4.340 -0.000 0.000 0.204 364 Q C 1.846 177.888 176.000 0.069 0.000 0.984 364 Q CA 2.500 58.369 55.803 0.110 0.000 0.846 364 Q CB -0.633 28.154 28.738 0.081 0.000 0.902 364 Q HN 0.725 nan 8.270 nan 0.000 0.421 365 N N -1.008 117.741 118.700 0.081 0.000 2.149 365 N HA -0.176 4.564 4.740 -0.000 0.000 0.188 365 N C 1.491 176.991 175.510 -0.018 0.000 1.019 365 N CA 1.280 54.341 53.050 0.018 0.000 0.857 365 N CB -0.315 38.219 38.487 0.078 0.000 0.997 365 N HN 0.344 nan 8.380 nan 0.000 0.426 366 L N 0.011 121.267 121.223 0.054 0.000 2.056 366 L HA 0.134 4.474 4.340 -0.000 0.000 0.207 366 L C 2.095 178.854 176.870 -0.184 0.000 1.078 366 L CA 2.110 56.834 54.840 -0.193 0.000 0.749 366 L CB -1.219 40.826 42.059 -0.024 0.000 0.901 366 L HN 0.247 nan 8.230 nan 0.000 0.433 367 G N -1.162 107.598 108.800 -0.068 0.000 2.408 367 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.217 367 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.217 367 G C 1.594 176.472 174.900 -0.036 0.000 1.150 367 G CA 0.736 45.807 45.100 -0.048 0.000 0.776 367 G HN 0.639 nan 8.290 nan 0.000 0.542 368 A N 0.738 123.540 122.820 -0.031 0.000 1.877 368 A HA 0.030 4.350 4.320 -0.000 0.000 0.216 368 A C 2.457 180.012 177.584 -0.049 0.000 1.186 368 A CA 1.815 53.839 52.037 -0.021 0.000 0.620 368 A CB -0.336 18.650 19.000 -0.023 0.000 0.822 368 A HN 0.383 nan 8.150 nan 0.000 0.443 369 M N -1.676 117.862 119.600 -0.104 0.000 2.200 369 M HA -0.052 4.428 4.480 -0.000 0.000 0.265 369 M C 2.379 178.594 176.300 -0.141 0.000 1.066 369 M CA 1.288 56.518 55.300 -0.116 0.000 1.127 369 M CB -0.298 32.187 32.600 -0.191 0.000 1.379 369 M HN 0.451 nan 8.290 nan 0.000 0.420 370 R N 0.833 121.230 120.500 -0.173 0.000 2.083 370 R HA -0.167 4.173 4.340 -0.000 0.000 0.237 370 R C 2.161 178.392 176.300 -0.115 0.000 1.137 370 R CA 1.903 57.906 56.100 -0.161 0.000 0.951 370 R CB -0.268 29.937 30.300 -0.158 0.000 0.851 370 R HN 0.360 nan 8.270 nan 0.000 0.434 371 A N 1.103 123.883 122.820 -0.066 0.000 1.858 371 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 371 A C 2.254 179.802 177.584 -0.060 0.000 1.190 371 A CA 1.199 53.212 52.037 -0.039 0.000 0.617 371 A CB -0.644 18.361 19.000 0.008 0.000 0.827 371 A HN 0.348 nan 8.150 nan 0.000 0.443 372 L N -0.985 120.209 121.223 -0.048 0.000 2.127 372 L HA -0.235 4.105 4.340 -0.000 0.000 0.211 372 L C 2.902 179.728 176.870 -0.073 0.000 1.089 372 L CA 1.163 55.981 54.840 -0.035 0.000 0.757 372 L CB -0.385 41.674 42.059 -0.000 0.000 0.899 372 L HN 0.491 nan 8.230 nan 0.000 0.434 373 A N -1.442 121.304 122.820 -0.123 0.000 1.997 373 A HA -0.038 4.282 4.320 -0.000 0.000 0.212 373 A C 2.265 179.610 177.584 -0.397 0.000 1.178 373 A CA 1.159 53.080 52.037 -0.194 0.000 0.698 373 A CB -0.374 18.527 19.000 -0.165 0.000 0.842 373 A HN 0.264 nan 8.150 nan 0.000 0.458 374 T N -0.487 113.852 114.554 -0.359 0.000 2.612 374 T HA -0.085 4.265 4.350 -0.000 0.000 0.259 374 T C 1.877 176.305 174.700 -0.454 0.000 1.065 374 T CA 1.901 63.711 62.100 -0.484 0.000 1.167 374 T CB -0.057 68.688 68.868 -0.204 0.000 0.863 374 T HN 0.580 nan 8.240 nan 0.000 0.407 375 E N -0.249 119.846 120.200 -0.175 0.000 3.249 375 E HA 0.401 4.751 4.350 -0.000 0.000 0.184 375 E C 0.512 177.095 176.600 -0.029 0.000 1.163 375 E CA 0.847 57.220 56.400 -0.046 0.000 1.353 375 E CB 0.346 30.054 29.700 0.014 0.000 1.466 375 E HN 0.456 nan 8.360 nan 0.000 0.502 376 G N -0.426 108.361 108.800 -0.022 0.000 2.490 376 G HA2 0.308 4.268 3.960 -0.000 0.000 0.308 376 G HA3 0.308 4.268 3.960 -0.000 0.000 0.308 376 G C -0.585 174.315 174.900 0.001 0.000 1.286 376 G CA -0.103 44.993 45.100 -0.007 0.000 0.825 376 G HN 0.133 nan 8.290 nan 0.000 0.479 377 I N -0.277 120.297 120.570 0.006 0.000 3.708 377 I HA 0.206 4.376 4.170 -0.000 0.000 0.302 377 I C 2.238 178.375 176.117 0.033 0.000 1.255 377 I CA 0.758 62.066 61.300 0.015 0.000 1.362 377 I CB 0.259 38.254 38.000 -0.009 0.000 1.100 377 I HN 0.345 nan 8.210 nan 0.000 0.434 378 Q N 1.101 120.913 119.800 0.019 0.000 2.079 378 Q HA -0.180 4.160 4.340 -0.000 0.000 0.200 378 Q C 2.167 178.203 176.000 0.060 0.000 0.974 378 Q CA 1.483 57.305 55.803 0.032 0.000 0.840 378 Q CB -0.547 28.198 28.738 0.012 0.000 0.898 378 Q HN 0.503 nan 8.270 nan 0.000 0.430 379 R N 0.372 120.901 120.500 0.048 0.000 2.112 379 R HA -0.142 4.198 4.340 -0.000 0.000 0.242 379 R C 2.219 178.553 176.300 0.057 0.000 1.137 379 R CA 1.958 58.087 56.100 0.047 0.000 0.944 379 R CB -1.701 28.621 30.300 0.038 0.000 0.857 379 R HN 0.275 nan 8.270 nan 0.000 0.435 380 G N -0.329 108.512 108.800 0.069 0.000 2.473 380 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.212 380 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.212 380 G C 1.416 176.374 174.900 0.098 0.000 1.211 380 G CA 0.738 45.880 45.100 0.070 0.000 0.813 380 G HN 0.564 nan 8.290 nan 0.000 0.541 381 H N -0.098 118.995 119.070 0.038 0.000 2.265 381 H HA -0.123 4.433 4.556 -0.000 0.000 0.295 381 H C 2.719 178.097 175.328 0.083 0.000 1.084 381 H CA 2.306 58.387 56.048 0.055 0.000 1.261 381 H CB 0.021 29.800 29.762 0.030 0.000 1.360 381 H HN 0.147 nan 8.280 nan 0.000 0.487 382 M N 0.368 120.139 119.600 0.286 0.000 2.149 382 M HA -0.123 4.357 4.480 -0.000 0.000 0.261 382 M C 2.691 179.083 176.300 0.154 0.000 1.064 382 M CA 1.441 56.874 55.300 0.221 0.000 1.102 382 M CB -1.445 31.226 32.600 0.118 0.000 1.369 382 M HN 0.544 nan 8.290 nan 0.000 0.408 383 A N 0.320 123.197 122.820 0.095 0.000 1.877 383 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 383 A C 2.272 179.878 177.584 0.037 0.000 1.186 383 A CA 1.397 53.468 52.037 0.055 0.000 0.620 383 A CB -0.967 18.054 19.000 0.035 0.000 0.822 383 A HN 0.493 nan 8.150 nan 0.000 0.443 384 L N -1.526 119.707 121.223 0.016 0.000 2.465 384 L HA -0.054 4.286 4.340 -0.000 0.000 0.224 384 L C 1.413 178.255 176.870 -0.046 0.000 1.145 384 L CA 0.622 55.441 54.840 -0.035 0.000 0.834 384 L CB -0.325 41.687 42.059 -0.077 0.000 0.944 384 L HN 0.544 nan 8.230 nan 0.000 0.451 385 H N 0.604 119.626 119.070 -0.079 0.000 2.595 385 H HA 0.447 5.003 4.556 -0.000 0.000 0.264 385 H C 0.315 175.646 175.328 0.005 0.000 1.503 385 H CA -0.510 55.515 56.048 -0.040 0.000 1.142 385 H CB 0.039 29.837 29.762 0.061 0.000 1.554 385 H HN 0.184 nan 8.280 nan 0.000 0.501 386 A N 2.413 125.220 122.820 -0.021 0.000 2.354 386 A HA 0.535 4.855 4.320 -0.000 0.000 0.269 386 A C 0.156 177.706 177.584 -0.056 0.000 1.109 386 A CA -0.533 51.499 52.037 -0.007 0.000 0.800 386 A CB 0.330 19.322 19.000 -0.013 0.000 1.045 386 A HN 0.733 nan 8.150 nan 0.000 0.489 387 R N 0.000 120.493 120.500 -0.011 0.000 2.786 387 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 387 R CA 0.000 56.087 56.100 -0.021 0.000 0.921 387 R CB 0.000 30.278 30.300 -0.037 0.000 0.687 387 R HN 0.000 nan 8.270 nan 0.000 0.535