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 1d6y_1_B DATA FIRST_RESID 6 DATA SEQUENCE HMVPMDKTLK EFGADVQWDD YAQLFTLIKD GAYVKVKPGA QTAIVNGQPL DATA SEQUENCE ALQVPVVMKD NKAWVSDTFI NDVFQSGLDQ TFQVEKRPHP LNALTADEIK DATA SEQUENCE QAVEIVKASA DFKPNTRFTE ISLLPPDKEA VWAFALENKP VDQPRKADVI DATA SEQUENCE MLDGKHIIEA VVDLQNNKLL SWQPIKDAHG MVLLDDFASV QNIINNSEEF DATA SEQUENCE AAAVKKRGIT DAKKVITTPL TVGYFDGKDG LKQDARLLKV ISYLDVGDGN DATA SEQUENCE YWAHPIENLV AVVDLEQKKI VKIEEGPVVP VPMTARPFDG RDRVAPAVKP DATA SEQUENCE MQIIEPEGKN YTITGDMIHW RNWDFHLSMN SRVGPMISTV TYNDNGTKRK DATA SEQUENCE VMYEGSLGGM IVPYGDPDIG WYFKAYLDSG DYGMGTLTSP IARGKDAPSN DATA SEQUENCE AVLLNETIAD YTGVPMEIPR AIAVFERYAG PEYKHQEMGQ PNVSTERREL DATA SEQUENCE VVRWISTVGN XDYIFDWIFH ENGTIGIDAG ATGIEAVKGV KAKTMHDETA DATA SEQUENCE KDDTRYGTLI DHNIVGTTHQ HIYNFRLDLD VDGENNSLVA MDPVVKPNTA DATA SEQUENCE GGPRTSTMQV NQYNIGNEQD AAQKFDPGTI RLLSNPNKEN RMGNPVSYQI DATA SEQUENCE IPYAGGTHPV AKGAQFAPDE WIYHRLSFMD KQLWVTRYHP GERFPEGKYP DATA SEQUENCE NRSTHDTGLG QYSKDNESLD NTDAVVWMTT GTTHVARAEE WPIMPTEWVH DATA SEQUENCE TLLKPWNFFD ETPTLGALKK 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 6 H HA 0.000 nan 4.556 nan 0.000 0.296 6 H C 0.000 175.353 175.328 0.041 0.000 0.993 6 H CA 0.000 56.056 56.048 0.014 0.000 1.023 6 H CB 0.000 29.770 29.762 0.014 0.000 1.292 7 M N 0.743 120.246 119.600 -0.162 0.000 2.755 7 M HA 0.630 5.111 4.480 0.001 0.000 0.298 7 M C -0.808 175.536 176.300 0.074 0.000 1.251 7 M CA -1.298 53.932 55.300 -0.117 0.000 0.817 7 M CB 3.084 35.713 32.600 0.048 0.000 1.760 7 M HN 0.410 nan 8.290 nan 0.000 0.473 8 V N 1.531 121.529 119.914 0.140 0.000 3.007 8 V HA 0.641 4.761 4.120 0.001 0.000 0.311 8 V C -2.514 173.512 176.094 -0.113 0.000 1.120 8 V CA -2.173 60.204 62.300 0.129 0.000 0.980 8 V CB 2.904 34.713 31.823 -0.024 0.000 1.033 8 V HN 0.636 nan 8.190 nan 0.000 0.429 9 P HA 0.048 nan 4.420 nan 0.000 0.264 9 P C 0.522 177.483 177.300 -0.566 0.000 1.193 9 P CA 0.261 62.760 63.100 -1.002 0.000 0.763 9 P CB 0.806 31.959 31.700 -0.912 0.000 0.810 10 M N 3.005 122.252 119.600 -0.588 0.000 2.077 10 M HA -0.195 4.286 4.480 0.001 0.000 0.261 10 M C 1.058 177.133 176.300 -0.374 0.000 1.070 10 M CA 2.157 57.160 55.300 -0.496 0.000 1.125 10 M CB -0.436 31.782 32.600 -0.638 0.000 1.339 10 M HN 0.203 nan 8.290 nan 0.000 0.409 11 D N 0.263 120.463 120.400 -0.334 0.000 2.088 11 D HA -0.218 4.423 4.640 0.001 0.000 0.191 11 D C 1.840 178.047 176.300 -0.155 0.000 0.992 11 D CA 1.800 55.680 54.000 -0.200 0.000 0.831 11 D CB -0.236 40.473 40.800 -0.151 0.000 0.973 11 D HN 0.296 nan 8.370 nan 0.000 0.447 12 K N -0.154 120.140 120.400 -0.177 0.000 2.032 12 K HA -0.235 4.085 4.320 0.001 0.000 0.218 12 K C 1.958 178.500 176.600 -0.097 0.000 1.054 12 K CA 2.140 58.350 56.287 -0.128 0.000 0.941 12 K CB -0.341 32.068 32.500 -0.151 0.000 0.720 12 K HN 0.105 nan 8.250 nan 0.000 0.449 13 T N 1.911 116.388 114.554 -0.128 0.000 2.684 13 T HA -0.129 4.222 4.350 0.001 0.000 0.267 13 T C 1.841 176.526 174.700 -0.025 0.000 1.036 13 T CA 1.566 63.617 62.100 -0.081 0.000 1.148 13 T CB -0.172 68.624 68.868 -0.119 0.000 0.863 13 T HN 0.192 nan 8.240 nan 0.000 0.436 14 L N 0.066 121.260 121.223 -0.049 0.000 2.131 14 L HA -0.104 4.237 4.340 0.001 0.000 0.210 14 L C 2.623 179.535 176.870 0.070 0.000 1.092 14 L CA 1.134 55.997 54.840 0.040 0.000 0.759 14 L CB -0.391 41.672 42.059 0.006 0.000 0.903 14 L HN 0.141 nan 8.230 nan 0.000 0.435 15 K N 0.065 120.472 120.400 0.011 0.000 2.025 15 K HA -0.130 4.191 4.320 0.001 0.000 0.207 15 K C 2.062 178.668 176.600 0.010 0.000 1.049 15 K CA 0.997 57.286 56.287 0.003 0.000 0.933 15 K CB -0.220 32.271 32.500 -0.015 0.000 0.714 15 K HN 0.173 nan 8.250 nan 0.000 0.438 16 E N -0.156 120.056 120.200 0.021 0.000 2.097 16 E HA -0.223 4.127 4.350 0.001 0.000 0.196 16 E C 1.900 178.536 176.600 0.060 0.000 1.000 16 E CA 1.055 57.473 56.400 0.030 0.000 0.804 16 E CB -0.383 29.338 29.700 0.035 0.000 0.740 16 E HN 0.285 nan 8.360 nan 0.000 0.454 17 F N 0.731 120.629 119.950 -0.087 0.000 2.451 17 F HA 0.052 4.579 4.527 0.001 0.000 0.299 17 F C 1.423 177.140 175.800 -0.138 0.000 1.101 17 F CA 1.465 59.392 58.000 -0.122 0.000 1.436 17 F CB 0.073 38.972 39.000 -0.167 0.000 1.074 17 F HN 0.154 nan 8.300 nan 0.000 0.553 18 G N 0.184 108.879 108.800 -0.175 0.000 2.130 18 G HA2 -0.014 3.946 3.960 0.001 0.000 0.216 18 G HA3 -0.014 3.946 3.960 0.001 0.000 0.216 18 G C 0.118 174.886 174.900 -0.219 0.000 0.999 18 G CA -0.001 44.957 45.100 -0.237 0.000 0.686 18 G HN 0.843 nan 8.290 nan 0.000 0.515 19 A N -0.292 122.460 122.820 -0.113 0.000 2.312 19 A HA 0.701 5.022 4.320 0.001 0.000 0.328 19 A C -0.079 177.522 177.584 0.028 0.000 1.158 19 A CA 0.190 52.206 52.037 -0.035 0.000 0.821 19 A CB 0.936 19.967 19.000 0.053 0.000 1.170 19 A HN 0.512 nan 8.150 nan 0.000 0.490 20 D N 1.001 121.432 120.400 0.052 0.000 2.308 20 D HA 0.413 5.053 4.640 0.001 0.000 0.251 20 D C -0.740 175.618 176.300 0.097 0.000 1.127 20 D CA 0.260 54.299 54.000 0.064 0.000 0.876 20 D CB 0.910 41.750 40.800 0.067 0.000 1.176 20 D HN 0.169 nan 8.370 nan 0.000 0.446 21 V N 4.549 124.523 119.914 0.101 0.000 2.357 21 V HA 0.331 4.452 4.120 0.001 0.000 0.284 21 V C -0.379 175.835 176.094 0.200 0.000 1.018 21 V CA -0.678 61.710 62.300 0.148 0.000 0.841 21 V CB 1.209 33.097 31.823 0.108 0.000 0.991 21 V HN 0.542 nan 8.190 nan 0.000 0.437 22 Q N 4.456 124.404 119.800 0.245 0.000 2.331 22 Q HA 0.422 4.762 4.340 0.001 0.000 0.267 22 Q C -1.027 175.167 176.000 0.323 0.000 1.006 22 Q CA -0.254 55.685 55.803 0.227 0.000 0.818 22 Q CB 2.705 31.520 28.738 0.128 0.000 1.276 22 Q HN 0.850 nan 8.270 nan 0.000 0.450 23 W N 4.277 125.608 121.300 0.051 0.000 2.475 23 W HA 0.338 4.999 4.660 0.001 0.000 0.317 23 W C -1.369 175.080 176.519 -0.118 0.000 1.046 23 W CA -0.543 56.716 57.345 -0.142 0.000 1.215 23 W CB 1.392 30.737 29.460 -0.191 0.000 1.335 23 W HN 0.631 nan 8.180 nan 0.000 0.471 24 D N 4.570 124.378 120.400 -0.986 0.000 2.454 24 D HA 0.024 4.665 4.640 0.001 0.000 0.225 24 D C 0.590 176.173 176.300 -1.195 0.000 1.081 24 D CA 0.015 53.550 54.000 -0.773 0.000 0.864 24 D CB 1.196 41.736 40.800 -0.433 0.000 1.040 24 D HN 0.527 nan 8.370 nan 0.000 0.517 25 D N 2.589 122.501 120.400 -0.813 0.000 2.144 25 D HA -0.260 4.380 4.640 0.001 0.000 0.199 25 D C 1.509 177.680 176.300 -0.214 0.000 0.984 25 D CA 1.157 54.912 54.000 -0.407 0.000 0.834 25 D CB 0.008 40.818 40.800 0.017 0.000 0.955 25 D HN 0.506 nan 8.370 nan 0.000 0.465 26 Y N 0.612 120.751 120.300 -0.268 0.000 2.163 26 Y HA -0.002 4.549 4.550 0.001 0.000 0.288 26 Y C 1.992 177.775 175.900 -0.194 0.000 1.136 26 Y CA 1.853 59.849 58.100 -0.173 0.000 1.147 26 Y CB -0.542 37.837 38.460 -0.134 0.000 0.987 26 Y HN 0.016 nan 8.280 nan 0.000 0.509 27 A N -0.634 122.008 122.820 -0.298 0.000 2.218 27 A HA 0.057 4.377 4.320 0.001 0.000 0.209 27 A C 0.643 178.000 177.584 -0.379 0.000 1.168 27 A CA 0.492 52.315 52.037 -0.358 0.000 0.804 27 A CB -0.244 18.631 19.000 -0.208 0.000 0.834 27 A HN 0.522 nan 8.150 nan 0.000 0.482 28 Q N -1.874 117.610 119.800 -0.527 0.000 2.452 28 Q HA -0.207 4.133 4.340 0.001 0.000 0.318 28 Q C -0.800 174.911 176.000 -0.482 0.000 1.386 28 Q CA 0.942 56.438 55.803 -0.511 0.000 0.872 28 Q CB -1.869 26.795 28.738 -0.123 0.000 1.151 28 Q HN 0.588 nan 8.270 nan 0.000 0.417 29 L N -0.327 120.425 121.223 -0.785 0.000 2.431 29 L HA 0.668 5.009 4.340 0.001 0.000 0.266 29 L C -1.148 175.528 176.870 -0.324 0.000 0.978 29 L CA -0.571 54.057 54.840 -0.353 0.000 0.822 29 L CB 1.410 43.347 42.059 -0.202 0.000 1.310 29 L HN 0.012 nan 8.230 nan 0.000 0.409 30 F N 2.147 122.171 119.950 0.124 0.000 2.404 30 F HA 0.652 5.179 4.527 0.001 0.000 0.339 30 F C 0.452 176.291 175.800 0.065 0.000 1.105 30 F CA -0.188 57.931 58.000 0.199 0.000 1.087 30 F CB 2.090 41.239 39.000 0.248 0.000 1.143 30 F HN 0.376 nan 8.300 nan 0.000 0.491 31 T N 5.304 120.008 114.554 0.250 0.000 2.809 31 T HA 0.604 4.954 4.350 0.001 0.000 0.284 31 T C -0.610 174.126 174.700 0.060 0.000 0.992 31 T CA -0.560 61.563 62.100 0.038 0.000 0.957 31 T CB 0.559 69.404 68.868 -0.038 0.000 0.942 31 T HN 0.281 nan 8.240 nan 0.000 0.439 32 L N 4.634 125.862 121.223 0.009 0.000 2.333 32 L HA 0.679 5.020 4.340 0.001 0.000 0.280 32 L C -0.608 176.322 176.870 0.101 0.000 1.004 32 L CA -0.938 53.982 54.840 0.132 0.000 0.820 32 L CB 1.589 43.824 42.059 0.294 0.000 1.247 32 L HN 0.496 nan 8.230 nan 0.000 0.416 33 I N 3.444 124.104 120.570 0.150 0.000 2.498 33 I HA 0.480 4.651 4.170 0.001 0.000 0.290 33 I C -0.578 175.653 176.117 0.190 0.000 1.032 33 I CA -0.674 60.731 61.300 0.175 0.000 1.073 33 I CB 2.207 40.292 38.000 0.141 0.000 1.251 33 I HN 0.419 nan 8.210 nan 0.000 0.426 34 K N 5.870 126.412 120.400 0.237 0.000 2.690 34 K HA 0.319 4.640 4.320 0.001 0.000 0.264 34 K C -0.642 176.056 176.600 0.163 0.000 1.040 34 K CA -0.205 56.141 56.287 0.099 0.000 0.946 34 K CB 0.597 33.040 32.500 -0.095 0.000 1.268 34 K HN 0.679 nan 8.250 nan 0.000 0.473 35 D N 2.030 122.509 120.400 0.131 0.000 3.685 35 D HA -0.257 4.384 4.640 0.001 0.000 0.152 35 D C 0.879 177.314 176.300 0.226 0.000 0.966 35 D CA 2.121 56.235 54.000 0.190 0.000 1.085 35 D CB -0.996 39.936 40.800 0.219 0.000 0.521 35 D HN 0.666 nan 8.370 nan 0.000 0.543 36 G N 0.376 109.328 108.800 0.254 0.000 2.848 36 G HA2 0.341 4.301 3.960 0.001 0.000 0.208 36 G HA3 0.341 4.301 3.960 0.001 0.000 0.208 36 G C 0.336 175.360 174.900 0.207 0.000 1.152 36 G CA 1.020 46.231 45.100 0.186 0.000 0.789 36 G HN 0.633 nan 8.290 nan 0.000 0.531 37 A N 0.131 123.118 122.820 0.279 0.000 2.260 37 A HA 0.618 4.939 4.320 0.001 0.000 0.314 37 A C -1.510 176.264 177.584 0.317 0.000 1.257 37 A CA -0.699 51.516 52.037 0.296 0.000 0.871 37 A CB 0.583 19.838 19.000 0.425 0.000 1.166 37 A HN 0.298 nan 8.150 nan 0.000 0.522 38 Y N 3.482 123.857 120.300 0.125 0.000 2.376 38 Y HA 0.532 5.083 4.550 0.001 0.000 0.326 38 Y C -0.947 174.996 175.900 0.072 0.000 0.970 38 Y CA -0.561 57.606 58.100 0.112 0.000 1.248 38 Y CB 1.259 39.767 38.460 0.080 0.000 1.117 38 Y HN 0.456 nan 8.280 nan 0.000 0.476 39 V N 6.020 125.819 119.914 -0.190 0.000 2.581 39 V HA 0.534 4.654 4.120 0.001 0.000 0.303 39 V C -0.747 175.263 176.094 -0.139 0.000 1.041 39 V CA -1.154 61.067 62.300 -0.132 0.000 0.907 39 V CB 1.944 33.676 31.823 -0.152 0.000 0.994 39 V HN 0.606 nan 8.190 nan 0.000 0.442 40 K N 2.357 122.742 120.400 -0.026 0.000 2.426 40 K HA 0.799 5.120 4.320 0.001 0.000 0.254 40 K C -1.718 174.938 176.600 0.094 0.000 0.936 40 K CA -0.612 55.698 56.287 0.038 0.000 0.801 40 K CB 2.542 35.075 32.500 0.056 0.000 1.139 40 K HN 0.447 nan 8.250 nan 0.000 0.424 41 V N 3.206 123.226 119.914 0.176 0.000 2.777 41 V HA 0.387 4.507 4.120 0.001 0.000 0.306 41 V C -1.707 174.561 176.094 0.291 0.000 1.112 41 V CA -0.734 61.698 62.300 0.220 0.000 0.917 41 V CB 1.921 33.911 31.823 0.277 0.000 1.018 41 V HN 0.660 nan 8.190 nan 0.000 0.426 42 K N 6.509 127.040 120.400 0.217 0.000 2.138 42 K HA 0.583 4.904 4.320 0.001 0.000 0.263 42 K C -2.711 174.037 176.600 0.246 0.000 0.965 42 K CA -1.830 54.585 56.287 0.213 0.000 0.868 42 K CB 1.795 34.360 32.500 0.108 0.000 1.083 42 K HN 0.446 nan 8.250 nan 0.000 0.443 43 P HA -0.044 nan 4.420 nan 0.000 0.265 43 P C 0.495 177.887 177.300 0.154 0.000 1.193 43 P CA 0.801 64.048 63.100 0.245 0.000 0.765 43 P CB 0.570 32.424 31.700 0.256 0.000 0.823 44 G N 1.780 110.653 108.800 0.123 0.000 2.184 44 G HA2 -0.218 3.743 3.960 0.001 0.000 0.264 44 G HA3 -0.218 3.743 3.960 0.001 0.000 0.264 44 G C 0.454 175.401 174.900 0.077 0.000 0.975 44 G CA 0.070 45.222 45.100 0.087 0.000 0.642 44 G HN 0.854 nan 8.290 nan 0.000 0.536 45 A N -0.407 122.468 122.820 0.093 0.000 2.340 45 A HA 0.701 5.021 4.320 0.001 0.000 0.268 45 A C 1.200 178.824 177.584 0.067 0.000 1.100 45 A CA 0.824 52.906 52.037 0.075 0.000 0.803 45 A CB 0.441 19.490 19.000 0.082 0.000 1.043 45 A HN 0.427 nan 8.150 nan 0.000 0.488 46 Q N -0.146 119.682 119.800 0.047 0.000 2.123 46 Q HA -0.025 4.315 4.340 0.001 0.000 0.199 46 Q C 0.783 176.802 176.000 0.032 0.000 0.966 46 Q CA 1.581 57.406 55.803 0.036 0.000 0.845 46 Q CB -0.077 28.675 28.738 0.024 0.000 0.907 46 Q HN 0.943 nan 8.270 nan 0.000 0.439 47 T N -3.082 111.491 114.554 0.031 0.000 2.926 47 T HA 0.795 5.145 4.350 0.001 0.000 0.289 47 T C -0.746 173.972 174.700 0.031 0.000 1.054 47 T CA -0.725 61.385 62.100 0.018 0.000 1.015 47 T CB 2.174 71.046 68.868 0.007 0.000 1.167 47 T HN 0.101 nan 8.240 nan 0.000 0.526 48 A N 0.948 123.771 122.820 0.005 0.000 2.437 48 A HA 0.828 5.149 4.320 0.001 0.000 0.292 48 A C -1.029 176.549 177.584 -0.011 0.000 1.173 48 A CA -1.021 51.023 52.037 0.011 0.000 0.785 48 A CB 1.107 20.092 19.000 -0.025 0.000 1.351 48 A HN 0.777 nan 8.150 nan 0.000 0.431 49 I N 1.054 121.624 120.570 -0.000 0.000 2.406 49 I HA 0.462 4.632 4.170 0.001 0.000 0.290 49 I C -0.858 175.256 176.117 -0.006 0.000 0.999 49 I CA -0.605 60.700 61.300 0.008 0.000 1.124 49 I CB 1.128 39.156 38.000 0.046 0.000 1.289 49 I HN 0.231 nan 8.210 nan 0.000 0.441 50 V N 5.890 125.796 119.914 -0.013 0.000 2.409 50 V HA 0.370 4.490 4.120 0.001 0.000 0.290 50 V C 0.414 176.532 176.094 0.040 0.000 1.017 50 V CA -0.834 61.457 62.300 -0.015 0.000 0.841 50 V CB 0.956 32.728 31.823 -0.086 0.000 1.003 50 V HN 0.900 nan 8.190 nan 0.000 0.426 51 N N 3.971 122.735 118.700 0.107 0.000 2.725 51 N HA -0.242 4.499 4.740 0.001 0.000 0.251 51 N C 1.168 176.712 175.510 0.056 0.000 1.031 51 N CA 0.455 53.561 53.050 0.094 0.000 0.720 51 N CB -0.645 37.878 38.487 0.061 0.000 0.930 51 N HN 1.388 nan 8.380 nan 0.000 0.543 52 G N -1.201 107.642 108.800 0.071 0.000 2.184 52 G HA2 -0.342 3.618 3.960 0.001 0.000 0.264 52 G HA3 -0.342 3.618 3.960 0.001 0.000 0.264 52 G C -0.112 174.803 174.900 0.026 0.000 0.975 52 G CA 0.538 45.664 45.100 0.043 0.000 0.642 52 G HN 0.428 nan 8.290 nan 0.000 0.536 53 Q N 0.653 120.466 119.800 0.020 0.000 2.282 53 Q HA 0.463 4.803 4.340 0.001 0.000 0.260 53 Q C -2.421 173.578 176.000 -0.002 0.000 0.964 53 Q CA -2.007 53.799 55.803 0.006 0.000 0.880 53 Q CB 2.474 31.212 28.738 0.000 0.000 1.286 53 Q HN 0.339 nan 8.270 nan 0.000 0.445 54 P HA 0.175 nan 4.420 nan 0.000 0.276 54 P C -0.890 176.395 177.300 -0.025 0.000 1.230 54 P CA -0.476 62.619 63.100 -0.009 0.000 0.776 54 P CB 0.889 32.587 31.700 -0.003 0.000 0.888 55 L N 3.493 124.693 121.223 -0.038 0.000 2.376 55 L HA 0.654 4.995 4.340 0.001 0.000 0.275 55 L C -0.634 176.205 176.870 -0.051 0.000 0.987 55 L CA -0.963 53.842 54.840 -0.059 0.000 0.828 55 L CB 1.602 43.597 42.059 -0.106 0.000 1.249 55 L HN 0.433 nan 8.230 nan 0.000 0.409 56 A N 6.092 128.887 122.820 -0.041 0.000 2.409 56 A HA 0.576 4.896 4.320 0.001 0.000 0.267 56 A C -0.511 177.049 177.584 -0.040 0.000 1.127 56 A CA -0.302 51.719 52.037 -0.028 0.000 0.795 56 A CB -0.164 18.825 19.000 -0.019 0.000 1.061 56 A HN 0.761 nan 8.150 nan 0.000 0.502 57 L N 2.297 123.507 121.223 -0.022 0.000 2.334 57 L HA 0.248 4.589 4.340 0.001 0.000 0.277 57 L C 1.690 178.562 176.870 0.004 0.000 1.075 57 L CA -0.349 54.480 54.840 -0.018 0.000 0.804 57 L CB 1.321 43.400 42.059 0.033 0.000 1.174 57 L HN 1.048 nan 8.230 nan 0.000 0.438 58 Q N 1.952 121.752 119.800 0.001 0.000 2.046 58 Q HA -0.027 4.314 4.340 0.001 0.000 0.200 58 Q C -0.235 175.783 176.000 0.030 0.000 0.975 58 Q CA 1.035 56.844 55.803 0.011 0.000 0.836 58 Q CB 0.482 29.223 28.738 0.005 0.000 0.896 58 Q HN 0.519 nan 8.270 nan 0.000 0.428 59 V N 2.506 122.453 119.914 0.055 0.000 2.483 59 V HA 0.379 4.499 4.120 0.001 0.000 0.297 59 V C -2.343 173.812 176.094 0.103 0.000 1.027 59 V CA -1.822 60.517 62.300 0.066 0.000 0.855 59 V CB 1.442 33.301 31.823 0.060 0.000 0.995 59 V HN 0.237 nan 8.190 nan 0.000 0.424 60 P HA 0.200 nan 4.420 nan 0.000 0.272 60 P C -0.417 176.941 177.300 0.097 0.000 1.230 60 P CA -0.266 62.895 63.100 0.103 0.000 0.788 60 P CB 0.549 32.295 31.700 0.076 0.000 0.949 61 V N 2.395 122.372 119.914 0.105 0.000 2.585 61 V HA 0.044 4.164 4.120 0.001 0.000 0.296 61 V C 0.358 176.500 176.094 0.079 0.000 1.035 61 V CA 0.204 62.528 62.300 0.040 0.000 1.084 61 V CB 0.683 32.528 31.823 0.036 0.000 0.953 61 V HN 0.205 nan 8.190 nan 0.000 0.483 62 V N 6.574 126.536 119.914 0.079 0.000 2.435 62 V HA 0.434 4.555 4.120 0.001 0.000 0.290 62 V C 0.002 176.187 176.094 0.152 0.000 1.030 62 V CA -0.613 61.746 62.300 0.098 0.000 0.881 62 V CB 1.576 33.437 31.823 0.064 0.000 0.983 62 V HN 0.852 nan 8.190 nan 0.000 0.445 63 M N 5.861 125.531 119.600 0.117 0.000 2.088 63 M HA 0.463 4.944 4.480 0.001 0.000 0.346 63 M C -0.573 175.785 176.300 0.096 0.000 1.111 63 M CA -0.007 55.359 55.300 0.109 0.000 1.017 63 M CB 0.499 33.133 32.600 0.058 0.000 1.568 63 M HN 0.511 nan 8.290 nan 0.000 0.445 64 K N 4.063 124.556 120.400 0.156 0.000 2.502 64 K HA 0.292 4.613 4.320 0.001 0.000 0.254 64 K C -1.042 175.620 176.600 0.104 0.000 0.947 64 K CA -0.636 55.702 56.287 0.085 0.000 0.834 64 K CB 1.213 33.698 32.500 -0.025 0.000 1.112 64 K HN 0.719 nan 8.250 nan 0.000 0.427 65 D N 3.255 123.684 120.400 0.048 0.000 2.686 65 D HA -0.216 4.424 4.640 0.001 0.000 0.235 65 D C -0.329 175.992 176.300 0.035 0.000 1.160 65 D CA 0.764 54.788 54.000 0.040 0.000 0.645 65 D CB -0.774 40.053 40.800 0.046 0.000 1.039 65 D HN 0.857 nan 8.370 nan 0.000 0.423 66 N N -1.453 117.252 118.700 0.008 0.000 2.828 66 N HA -0.208 4.533 4.740 0.001 0.000 0.248 66 N C -0.276 175.186 175.510 -0.080 0.000 1.044 66 N CA 1.222 54.242 53.050 -0.050 0.000 0.851 66 N CB -0.625 37.838 38.487 -0.039 0.000 1.136 66 N HN 0.551 nan 8.380 nan 0.000 0.572 67 K N 0.478 120.884 120.400 0.011 0.000 2.323 67 K HA 0.662 4.983 4.320 0.001 0.000 0.259 67 K C -0.195 176.426 176.600 0.035 0.000 0.947 67 K CA -0.350 55.929 56.287 -0.013 0.000 0.819 67 K CB 1.986 34.539 32.500 0.090 0.000 1.109 67 K HN 0.171 nan 8.250 nan 0.000 0.429 68 A N 2.931 125.664 122.820 -0.145 0.000 2.327 68 A HA 0.546 4.867 4.320 0.001 0.000 0.283 68 A C -1.416 175.967 177.584 -0.336 0.000 1.127 68 A CA -0.258 51.721 52.037 -0.096 0.000 0.810 68 A CB 0.170 19.102 19.000 -0.114 0.000 1.066 68 A HN 0.675 nan 8.150 nan 0.000 0.492 69 W N 0.525 121.722 121.300 -0.172 0.000 2.915 69 W HA 0.541 5.202 4.660 0.001 0.000 0.337 69 W C -0.351 176.027 176.519 -0.234 0.000 1.102 69 W CA -0.498 56.737 57.345 -0.184 0.000 1.224 69 W CB 1.857 31.245 29.460 -0.119 0.000 1.416 69 W HN 0.745 nan 8.180 nan 0.000 0.503 70 V N -0.597 119.268 119.914 -0.082 0.000 3.141 70 V HA 0.758 4.878 4.120 0.001 0.000 0.312 70 V C 0.024 176.084 176.094 -0.057 0.000 1.157 70 V CA -1.207 60.985 62.300 -0.180 0.000 1.041 70 V CB 1.172 32.643 31.823 -0.587 0.000 1.071 70 V HN 0.497 nan 8.190 nan 0.000 0.441 71 S N 0.843 116.549 115.700 0.011 0.000 2.579 71 S HA 0.078 4.549 4.470 0.001 0.000 0.275 71 S C 1.007 175.600 174.600 -0.012 0.000 1.345 71 S CA 0.384 58.590 58.200 0.009 0.000 1.031 71 S CB 0.453 63.695 63.200 0.069 0.000 0.892 71 S HN 1.124 nan 8.310 nan 0.000 0.529 72 D N 2.016 122.356 120.400 -0.100 0.000 2.392 72 D HA -0.089 4.552 4.640 0.001 0.000 0.228 72 D C 1.279 177.572 176.300 -0.011 0.000 1.003 72 D CA 1.164 55.110 54.000 -0.089 0.000 0.917 72 D CB -0.538 40.170 40.800 -0.153 0.000 0.890 72 D HN 0.601 nan 8.370 nan 0.000 0.532 73 T N -4.017 110.549 114.554 0.019 0.000 3.044 73 T HA 0.083 4.434 4.350 0.001 0.000 0.260 73 T C 1.474 176.194 174.700 0.033 0.000 1.019 73 T CA -0.576 61.534 62.100 0.017 0.000 0.921 73 T CB -0.720 68.152 68.868 0.007 0.000 1.053 73 T HN 0.023 nan 8.240 nan 0.000 0.533 74 F N 2.606 122.510 119.950 -0.077 0.000 2.091 74 F HA 0.014 4.541 4.527 0.001 0.000 0.299 74 F C 1.767 177.520 175.800 -0.079 0.000 1.103 74 F CA 1.234 59.188 58.000 -0.078 0.000 1.228 74 F CB -0.408 38.544 39.000 -0.080 0.000 0.984 74 F HN 0.104 nan 8.300 nan 0.000 0.477 75 I N 0.339 121.004 120.570 0.157 0.000 2.208 75 I HA -0.366 3.805 4.170 0.001 0.000 0.245 75 I C 2.138 178.209 176.117 -0.077 0.000 1.097 75 I CA 1.467 62.761 61.300 -0.010 0.000 1.363 75 I CB -0.634 37.150 38.000 -0.359 0.000 1.051 75 I HN 0.248 nan 8.210 nan 0.000 0.413 76 N N 0.721 119.371 118.700 -0.084 0.000 2.135 76 N HA -0.154 4.586 4.740 0.001 0.000 0.186 76 N C 1.418 176.883 175.510 -0.074 0.000 1.027 76 N CA 1.350 54.370 53.050 -0.049 0.000 0.849 76 N CB -0.386 38.082 38.487 -0.031 0.000 1.002 76 N HN 0.346 nan 8.380 nan 0.000 0.425 77 D N 0.733 121.055 120.400 -0.130 0.000 2.117 77 D HA -0.083 4.558 4.640 0.001 0.000 0.197 77 D C 2.085 178.234 176.300 -0.251 0.000 0.987 77 D CA 0.704 54.603 54.000 -0.167 0.000 0.829 77 D CB -0.085 40.607 40.800 -0.180 0.000 0.961 77 D HN 0.062 nan 8.370 nan 0.000 0.460 78 V N 0.288 119.948 119.914 -0.424 0.000 2.300 78 V HA -0.136 3.985 4.120 0.001 0.000 0.241 78 V C 2.086 177.905 176.094 -0.459 0.000 1.034 78 V CA 1.074 63.026 62.300 -0.581 0.000 1.021 78 V CB -0.639 30.549 31.823 -1.058 0.000 0.662 78 V HN 0.012 nan 8.190 nan 0.000 0.458 79 F N -0.008 119.856 119.950 -0.143 0.000 2.502 79 F HA -0.035 4.493 4.527 0.001 0.000 0.298 79 F C 1.983 177.800 175.800 0.029 0.000 1.111 79 F CA 0.846 58.847 58.000 0.002 0.000 1.445 79 F CB -0.224 38.839 39.000 0.104 0.000 1.081 79 F HN 0.207 nan 8.300 nan 0.000 0.558 80 Q N -1.048 118.816 119.800 0.106 0.000 2.155 80 Q HA 0.097 4.438 4.340 0.001 0.000 0.220 80 Q C 1.952 177.965 176.000 0.021 0.000 0.819 80 Q CA 0.247 56.097 55.803 0.078 0.000 1.032 80 Q CB 0.146 28.921 28.738 0.061 0.000 1.151 80 Q HN 0.259 nan 8.270 nan 0.000 0.487 81 S N -1.021 114.666 115.700 -0.021 0.000 2.370 81 S HA -0.054 4.417 4.470 0.001 0.000 0.226 81 S C 1.728 176.322 174.600 -0.010 0.000 1.033 81 S CA 1.260 59.434 58.200 -0.042 0.000 1.011 81 S CB -0.207 62.939 63.200 -0.090 0.000 0.852 81 S HN 0.520 nan 8.310 nan 0.000 0.457 82 G N 0.631 109.440 108.800 0.014 0.000 2.253 82 G HA2 -0.185 3.775 3.960 0.001 0.000 0.209 82 G HA3 -0.185 3.775 3.960 0.001 0.000 0.209 82 G C 0.669 175.584 174.900 0.025 0.000 0.997 82 G CA 0.143 45.260 45.100 0.029 0.000 0.640 82 G HN 0.477 nan 8.290 nan 0.000 0.496 83 L N 0.916 122.143 121.223 0.007 0.000 2.465 83 L HA 0.183 4.524 4.340 0.001 0.000 0.224 83 L C 0.933 177.819 176.870 0.026 0.000 1.145 83 L CA 0.997 55.840 54.840 0.006 0.000 0.834 83 L CB -0.025 42.024 42.059 -0.016 0.000 0.944 83 L HN 0.256 nan 8.230 nan 0.000 0.451 84 D N 0.208 120.638 120.400 0.049 0.000 2.412 84 D HA 0.090 4.731 4.640 0.001 0.000 0.224 84 D C 0.529 176.885 176.300 0.093 0.000 1.093 84 D CA -0.159 53.892 54.000 0.085 0.000 0.850 84 D CB 1.003 41.886 40.800 0.138 0.000 1.046 84 D HN 0.119 nan 8.370 nan 0.000 0.507 85 Q N 2.009 121.845 119.800 0.059 0.000 2.280 85 Q HA 0.046 4.386 4.340 0.001 0.000 0.201 85 Q C 1.260 177.281 176.000 0.035 0.000 0.890 85 Q CA 0.037 55.871 55.803 0.052 0.000 0.947 85 Q CB 0.427 29.180 28.738 0.025 0.000 1.081 85 Q HN 0.469 nan 8.270 nan 0.000 0.502 86 T N 0.841 115.411 114.554 0.027 0.000 2.665 86 T HA -0.145 4.205 4.350 0.001 0.000 0.268 86 T C 0.228 174.806 174.700 -0.203 0.000 1.035 86 T CA 1.332 63.369 62.100 -0.105 0.000 1.151 86 T CB -0.097 68.724 68.868 -0.077 0.000 0.862 86 T HN 0.133 nan 8.240 nan 0.000 0.438 87 F N 1.405 121.390 119.950 0.059 0.000 2.436 87 F HA 0.490 5.017 4.527 0.001 0.000 0.340 87 F C 0.413 176.238 175.800 0.041 0.000 1.113 87 F CA -1.028 57.004 58.000 0.053 0.000 1.022 87 F CB 1.168 40.200 39.000 0.053 0.000 1.128 87 F HN -0.161 nan 8.300 nan 0.000 0.466 88 Q N 2.309 122.221 119.800 0.186 0.000 2.377 88 Q HA 0.474 4.814 4.340 0.001 0.000 0.271 88 Q C -0.782 175.289 176.000 0.119 0.000 1.077 88 Q CA -1.041 54.835 55.803 0.122 0.000 0.820 88 Q CB 2.667 31.448 28.738 0.071 0.000 1.347 88 Q HN 0.560 nan 8.270 nan 0.000 0.444 89 V N -1.144 118.824 119.914 0.091 0.000 2.555 89 V HA 0.270 4.391 4.120 0.001 0.000 0.286 89 V C 0.269 176.407 176.094 0.073 0.000 1.044 89 V CA -0.552 61.795 62.300 0.079 0.000 1.026 89 V CB 0.775 32.634 31.823 0.060 0.000 0.981 89 V HN 0.792 nan 8.190 nan 0.000 0.480 90 E N 3.474 123.721 120.200 0.079 0.000 2.217 90 E HA 0.143 4.493 4.350 0.001 0.000 0.279 90 E C 0.791 177.441 176.600 0.083 0.000 1.068 90 E CA -0.223 56.231 56.400 0.090 0.000 0.882 90 E CB 0.983 30.746 29.700 0.104 0.000 1.039 90 E HN 0.872 nan 8.360 nan 0.000 0.418 91 K N 4.061 124.510 120.400 0.081 0.000 2.186 91 K HA -0.003 4.317 4.320 0.001 0.000 0.202 91 K C 0.529 177.180 176.600 0.086 0.000 1.052 91 K CA 0.501 56.829 56.287 0.068 0.000 0.965 91 K CB 0.360 32.890 32.500 0.050 0.000 0.746 91 K HN 0.305 nan 8.250 nan 0.000 0.457 92 R N 1.768 122.344 120.500 0.127 0.000 2.422 92 R HA 0.268 4.608 4.340 0.001 0.000 0.307 92 R C -2.627 173.818 176.300 0.243 0.000 1.004 92 R CA -2.297 53.908 56.100 0.175 0.000 0.882 92 R CB 1.482 31.891 30.300 0.182 0.000 1.164 92 R HN 0.030 nan 8.270 nan 0.000 0.489 93 P HA -0.126 nan 4.420 nan 0.000 0.258 93 P C -0.834 176.471 177.300 0.008 0.000 1.172 93 P CA 0.318 63.478 63.100 0.101 0.000 0.762 93 P CB 0.412 32.139 31.700 0.045 0.000 0.764 94 H N 6.911 125.936 119.070 -0.076 0.000 2.886 94 H HA 0.058 4.614 4.556 0.001 0.000 0.329 94 H C -0.867 174.184 175.328 -0.462 0.000 1.044 94 H CA -0.962 54.868 56.048 -0.363 0.000 1.456 94 H CB 0.720 30.427 29.762 -0.092 0.000 1.464 94 H HN 0.307 nan 8.280 nan 0.000 0.573 95 P HA -0.176 nan 4.420 nan 0.000 0.221 95 P C 0.816 177.934 177.300 -0.302 0.000 1.145 95 P CA 1.174 63.939 63.100 -0.559 0.000 0.795 95 P CB 0.391 31.695 31.700 -0.660 0.000 0.775 96 L N -1.114 119.992 121.223 -0.194 0.000 2.592 96 L HA 0.137 4.478 4.340 0.001 0.000 0.227 96 L C 0.806 177.609 176.870 -0.111 0.000 1.127 96 L CA -0.238 54.471 54.840 -0.218 0.000 0.884 96 L CB -0.812 40.972 42.059 -0.459 0.000 1.065 96 L HN -0.069 nan 8.230 nan 0.000 0.457 97 N N 1.330 120.051 118.700 0.036 0.000 2.412 97 N HA 0.136 4.877 4.740 0.001 0.000 0.258 97 N C 0.509 176.049 175.510 0.050 0.000 1.236 97 N CA -0.256 52.882 53.050 0.147 0.000 0.882 97 N CB 0.812 39.366 38.487 0.112 0.000 1.066 97 N HN 0.179 nan 8.380 nan 0.000 0.465 98 A N 3.044 125.891 122.820 0.046 0.000 2.475 98 A HA 0.101 4.422 4.320 0.001 0.000 0.239 98 A C 0.506 178.087 177.584 -0.006 0.000 1.087 98 A CA -0.260 51.779 52.037 0.003 0.000 0.779 98 A CB 0.143 19.135 19.000 -0.014 0.000 1.036 98 A HN 0.636 nan 8.150 nan 0.000 0.506 99 L N 1.206 122.420 121.223 -0.015 0.000 2.490 99 L HA 0.157 4.498 4.340 0.001 0.000 0.274 99 L C 1.491 178.349 176.870 -0.020 0.000 1.201 99 L CA -0.004 54.824 54.840 -0.019 0.000 0.869 99 L CB 0.004 42.049 42.059 -0.025 0.000 1.123 99 L HN 0.988 nan 8.230 nan 0.000 0.484 100 T N -0.283 114.259 114.554 -0.019 0.000 2.732 100 T HA 0.350 4.701 4.350 0.001 0.000 0.287 100 T C 1.202 175.885 174.700 -0.029 0.000 0.993 100 T CA -0.170 61.919 62.100 -0.019 0.000 0.966 100 T CB 1.252 70.112 68.868 -0.015 0.000 1.047 100 T HN 0.623 nan 8.240 nan 0.000 0.527 101 A N 0.625 123.428 122.820 -0.028 0.000 1.877 101 A HA -0.085 4.236 4.320 0.001 0.000 0.216 101 A C 2.112 179.670 177.584 -0.043 0.000 1.186 101 A CA 1.748 53.763 52.037 -0.037 0.000 0.620 101 A CB -1.163 17.818 19.000 -0.031 0.000 0.822 101 A HN 0.925 nan 8.150 nan 0.000 0.443 102 D N -0.221 120.159 120.400 -0.034 0.000 2.104 102 D HA -0.161 4.479 4.640 0.001 0.000 0.194 102 D C 1.914 178.191 176.300 -0.040 0.000 0.994 102 D CA 1.624 55.603 54.000 -0.034 0.000 0.830 102 D CB -0.454 40.331 40.800 -0.024 0.000 0.959 102 D HN 0.656 nan 8.370 nan 0.000 0.452 103 E N 0.446 120.625 120.200 -0.035 0.000 2.085 103 E HA -0.140 4.210 4.350 0.001 0.000 0.194 103 E C 2.444 179.014 176.600 -0.051 0.000 0.994 103 E CA 0.443 56.821 56.400 -0.035 0.000 0.801 103 E CB -0.079 29.605 29.700 -0.027 0.000 0.743 103 E HN 0.323 nan 8.360 nan 0.000 0.453 104 I N 1.304 121.837 120.570 -0.062 0.000 2.163 104 I HA -0.330 3.841 4.170 0.001 0.000 0.243 104 I C 2.309 178.351 176.117 -0.125 0.000 1.085 104 I CA 1.422 62.666 61.300 -0.093 0.000 1.347 104 I CB -0.251 37.693 38.000 -0.094 0.000 1.044 104 I HN 0.057 nan 8.210 nan 0.000 0.408 105 K N 0.092 120.430 120.400 -0.104 0.000 2.148 105 K HA -0.227 4.094 4.320 0.001 0.000 0.204 105 K C 2.131 178.674 176.600 -0.095 0.000 1.050 105 K CA 1.105 57.326 56.287 -0.110 0.000 0.942 105 K CB -0.193 32.258 32.500 -0.081 0.000 0.724 105 K HN 0.399 nan 8.250 nan 0.000 0.446 106 Q N 0.739 120.498 119.800 -0.069 0.000 2.046 106 Q HA -0.147 4.194 4.340 0.001 0.000 0.200 106 Q C 2.100 178.069 176.000 -0.052 0.000 0.975 106 Q CA 1.464 57.237 55.803 -0.051 0.000 0.836 106 Q CB -0.098 28.619 28.738 -0.034 0.000 0.896 106 Q HN 0.320 nan 8.270 nan 0.000 0.428 107 A N -0.002 122.785 122.820 -0.056 0.000 1.908 107 A HA -0.151 4.169 4.320 0.001 0.000 0.218 107 A C 2.183 179.736 177.584 -0.052 0.000 1.181 107 A CA 1.624 53.639 52.037 -0.037 0.000 0.627 107 A CB -0.721 18.257 19.000 -0.037 0.000 0.818 107 A HN 0.319 nan 8.150 nan 0.000 0.445 108 V N 0.060 119.892 119.914 -0.136 0.000 2.427 108 V HA -0.239 3.882 4.120 0.001 0.000 0.248 108 V C 2.343 178.350 176.094 -0.145 0.000 1.051 108 V CA 2.173 64.358 62.300 -0.192 0.000 1.048 108 V CB -0.796 30.821 31.823 -0.343 0.000 0.666 108 V HN 0.649 nan 8.190 nan 0.000 0.456 109 E N -0.009 120.123 120.200 -0.113 0.000 2.106 109 E HA -0.137 4.214 4.350 0.001 0.000 0.192 109 E C 2.187 178.743 176.600 -0.073 0.000 0.984 109 E CA 1.226 57.568 56.400 -0.098 0.000 0.806 109 E CB -0.148 29.512 29.700 -0.067 0.000 0.750 109 E HN 0.554 nan 8.360 nan 0.000 0.458 110 I N 1.208 121.757 120.570 -0.035 0.000 2.226 110 I HA -0.226 3.945 4.170 0.001 0.000 0.245 110 I C 2.611 178.753 176.117 0.043 0.000 1.100 110 I CA 1.010 62.314 61.300 0.007 0.000 1.374 110 I CB -0.414 37.603 38.000 0.029 0.000 1.057 110 I HN 0.086 nan 8.210 nan 0.000 0.413 111 V N -1.665 118.288 119.914 0.065 0.000 2.667 111 V HA -0.116 4.005 4.120 0.001 0.000 0.252 111 V C 2.012 178.113 176.094 0.012 0.000 1.065 111 V CA 1.250 63.670 62.300 0.201 0.000 1.083 111 V CB -0.830 31.189 31.823 0.327 0.000 0.692 111 V HN 0.323 nan 8.190 nan 0.000 0.468 112 K N 0.979 121.192 120.400 -0.311 0.000 2.486 112 K HA 0.311 4.632 4.320 0.001 0.000 0.194 112 K C 1.980 178.505 176.600 -0.124 0.000 1.033 112 K CA 0.888 56.871 56.287 -0.506 0.000 1.004 112 K CB -0.051 32.126 32.500 -0.539 0.000 0.798 112 K HN 0.603 nan 8.250 nan 0.000 0.495 113 A N 0.838 123.625 122.820 -0.055 0.000 2.195 113 A HA 0.033 4.354 4.320 0.001 0.000 0.210 113 A C 1.023 178.599 177.584 -0.013 0.000 1.165 113 A CA 0.034 52.059 52.037 -0.020 0.000 0.806 113 A CB 0.211 19.202 19.000 -0.015 0.000 0.847 113 A HN 0.136 nan 8.150 nan 0.000 0.482 114 S N -0.393 115.307 115.700 -0.001 0.000 2.565 114 S HA 0.434 4.904 4.470 0.001 0.000 0.276 114 S C 1.340 175.874 174.600 -0.110 0.000 1.326 114 S CA 0.037 58.178 58.200 -0.099 0.000 1.045 114 S CB 1.116 64.186 63.200 -0.218 0.000 0.918 114 S HN 0.715 nan 8.310 nan 0.000 0.505 115 A N 3.560 126.279 122.820 -0.168 0.000 2.070 115 A HA -0.030 4.291 4.320 0.001 0.000 0.220 115 A C 1.545 179.042 177.584 -0.145 0.000 1.159 115 A CA 1.404 53.367 52.037 -0.123 0.000 0.656 115 A CB -0.343 18.582 19.000 -0.124 0.000 0.800 115 A HN 0.891 nan 8.150 nan 0.000 0.453 116 D N -1.669 118.538 120.400 -0.322 0.000 2.348 116 D HA 0.071 4.711 4.640 0.001 0.000 0.211 116 D C 0.207 176.505 176.300 -0.003 0.000 0.998 116 D CA -0.109 53.720 54.000 -0.285 0.000 0.873 116 D CB -0.087 40.329 40.800 -0.641 0.000 0.925 116 D HN 0.407 nan 8.370 nan 0.000 0.524 117 F N 2.506 122.440 119.950 -0.027 0.000 2.602 117 F HA -0.013 4.514 4.527 0.000 0.000 0.367 117 F C 0.735 176.607 175.800 0.120 0.000 1.126 117 F CA 0.218 58.343 58.000 0.209 0.000 1.321 117 F CB 0.499 39.617 39.000 0.197 0.000 1.094 117 F HN -0.402 nan 8.300 nan 0.000 0.594 118 K N 6.474 126.465 120.400 -0.682 0.000 2.267 118 K HA 0.323 4.644 4.320 0.001 0.000 0.246 118 K C -2.073 174.219 176.600 -0.514 0.000 0.954 118 K CA -1.750 54.290 56.287 -0.412 0.000 0.824 118 K CB 1.276 33.611 32.500 -0.274 0.000 1.167 118 K HN 0.215 nan 8.250 nan 0.000 0.431 119 P HA -0.165 nan 4.420 nan 0.000 0.214 119 P C 0.697 177.972 177.300 -0.042 0.000 1.163 119 P CA 1.440 64.526 63.100 -0.023 0.000 0.883 119 P CB 0.150 31.856 31.700 0.011 0.000 0.788 120 N N -1.455 117.198 118.700 -0.077 0.000 2.521 120 N HA -0.038 4.703 4.740 0.001 0.000 0.188 120 N C -0.320 175.127 175.510 -0.105 0.000 1.146 120 N CA 0.625 53.646 53.050 -0.048 0.000 0.893 120 N CB -1.199 37.265 38.487 -0.038 0.000 0.975 120 N HN 0.028 nan 8.380 nan 0.000 0.451 121 T N 2.269 116.664 114.554 -0.264 0.000 2.793 121 T HA 0.088 4.439 4.350 0.001 0.000 0.289 121 T C 0.576 175.104 174.700 -0.287 0.000 0.956 121 T CA 0.113 61.973 62.100 -0.400 0.000 1.177 121 T CB 0.459 68.781 68.868 -0.910 0.000 0.897 121 T HN 0.212 nan 8.240 nan 0.000 0.533 122 R N 1.730 122.092 120.500 -0.229 0.000 2.691 122 R HA 0.603 4.944 4.340 0.001 0.000 0.259 122 R C -0.869 175.246 176.300 -0.309 0.000 1.048 122 R CA -0.749 55.310 56.100 -0.069 0.000 1.086 122 R CB 0.965 31.368 30.300 0.171 0.000 1.166 122 R HN 0.434 nan 8.270 nan 0.000 0.526 123 F N -0.078 119.963 119.950 0.153 0.000 2.427 123 F HA 0.204 4.732 4.527 0.001 0.000 0.348 123 F C 1.429 177.300 175.800 0.119 0.000 1.125 123 F CA -0.733 57.336 58.000 0.115 0.000 0.989 123 F CB 1.858 40.915 39.000 0.096 0.000 1.165 123 F HN 0.616 nan 8.300 nan 0.000 0.442 124 T N -1.758 112.916 114.554 0.199 0.000 2.942 124 T HA 0.050 4.401 4.350 0.001 0.000 0.265 124 T C 0.349 175.140 174.700 0.152 0.000 1.062 124 T CA 0.627 62.819 62.100 0.153 0.000 1.139 124 T CB 0.220 69.150 68.868 0.102 0.000 0.883 124 T HN 0.584 nan 8.240 nan 0.000 0.468 125 E N -0.258 120.042 120.200 0.168 0.000 2.397 125 E HA 0.467 4.818 4.350 0.001 0.000 0.293 125 E C -1.952 174.731 176.600 0.137 0.000 0.930 125 E CA -0.626 55.851 56.400 0.129 0.000 0.793 125 E CB 1.741 31.492 29.700 0.085 0.000 1.259 125 E HN 0.359 nan 8.360 nan 0.000 0.406 126 I N 3.273 123.902 120.570 0.098 0.000 2.495 126 I HA 0.343 4.514 4.170 0.001 0.000 0.277 126 I C -0.715 175.420 176.117 0.030 0.000 1.045 126 I CA -0.337 61.000 61.300 0.062 0.000 1.135 126 I CB 1.580 39.578 38.000 -0.003 0.000 1.241 126 I HN 0.266 nan 8.210 nan 0.000 0.469 127 S N 4.852 120.572 115.700 0.033 0.000 2.595 127 S HA 0.525 4.996 4.470 0.001 0.000 0.281 127 S C -0.644 173.961 174.600 0.008 0.000 1.117 127 S CA -0.653 57.556 58.200 0.016 0.000 0.873 127 S CB 2.430 65.644 63.200 0.023 0.000 1.108 127 S HN 0.453 nan 8.310 nan 0.000 0.477 128 L N 2.384 123.603 121.223 -0.006 0.000 2.543 128 L HA 0.258 4.599 4.340 0.001 0.000 0.285 128 L C -0.565 176.300 176.870 -0.009 0.000 1.236 128 L CA -0.004 54.828 54.840 -0.013 0.000 0.871 128 L CB 0.036 42.078 42.059 -0.027 0.000 1.121 128 L HN 0.589 nan 8.230 nan 0.000 0.501 129 L N 8.534 129.753 121.223 -0.006 0.000 2.260 129 L HA 0.518 4.859 4.340 0.001 0.000 0.289 129 L C -2.167 174.697 176.870 -0.010 0.000 1.057 129 L CA -2.035 52.804 54.840 -0.002 0.000 0.811 129 L CB 0.304 42.367 42.059 0.007 0.000 1.184 129 L HN 0.565 nan 8.230 nan 0.000 0.429 130 P HA 0.116 nan 4.420 nan 0.000 0.260 130 P C -2.490 174.815 177.300 0.009 0.000 1.185 130 P CA -0.625 62.472 63.100 -0.004 0.000 0.763 130 P CB -0.184 31.525 31.700 0.015 0.000 0.776 131 P HA 0.034 nan 4.420 nan 0.000 0.272 131 P C -0.142 177.170 177.300 0.021 0.000 1.254 131 P CA -0.102 62.994 63.100 -0.007 0.000 0.795 131 P CB 0.305 31.980 31.700 -0.043 0.000 1.022 132 D N 0.503 120.913 120.400 0.017 0.000 2.425 132 D HA -0.029 4.612 4.640 0.001 0.000 0.247 132 D C 0.882 177.170 176.300 -0.020 0.000 1.147 132 D CA -0.256 53.759 54.000 0.025 0.000 0.879 132 D CB 0.969 41.785 40.800 0.027 0.000 1.179 132 D HN 0.333 nan 8.370 nan 0.000 0.456 133 K N 2.364 122.710 120.400 -0.090 0.000 2.077 133 K HA -0.324 3.997 4.320 0.001 0.000 0.213 133 K C 1.777 178.216 176.600 -0.268 0.000 1.051 133 K CA 2.023 58.051 56.287 -0.431 0.000 0.929 133 K CB -0.026 32.004 32.500 -0.784 0.000 0.715 133 K HN 0.644 nan 8.250 nan 0.000 0.451 134 E N -0.520 119.622 120.200 -0.097 0.000 2.085 134 E HA -0.214 4.137 4.350 0.001 0.000 0.194 134 E C 1.783 178.432 176.600 0.082 0.000 0.994 134 E CA 1.120 57.535 56.400 0.026 0.000 0.801 134 E CB -0.145 29.565 29.700 0.016 0.000 0.743 134 E HN 0.478 nan 8.360 nan 0.000 0.453 135 A N 0.388 123.237 122.820 0.048 0.000 1.873 135 A HA -0.133 4.187 4.320 0.001 0.000 0.215 135 A C 2.416 180.062 177.584 0.104 0.000 1.186 135 A CA 1.442 53.520 52.037 0.069 0.000 0.616 135 A CB -0.749 18.272 19.000 0.034 0.000 0.823 135 A HN 0.217 nan 8.150 nan 0.000 0.442 136 V N -2.045 117.901 119.914 0.052 0.000 2.332 136 V HA -0.328 3.793 4.120 0.001 0.000 0.248 136 V C 2.250 178.471 176.094 0.211 0.000 1.055 136 V CA 1.962 64.283 62.300 0.035 0.000 1.038 136 V CB -1.047 30.785 31.823 0.015 0.000 0.651 136 V HN 0.779 nan 8.190 nan 0.000 0.450 137 W N -0.313 121.056 121.300 0.115 0.000 2.388 137 W HA -0.108 4.553 4.660 0.001 0.000 0.294 137 W C 2.558 179.141 176.519 0.105 0.000 1.212 137 W CA 0.718 58.136 57.345 0.121 0.000 1.271 137 W CB -0.146 29.326 29.460 0.020 0.000 1.126 137 W HN 0.220 nan 8.180 nan 0.000 0.535 138 A N -0.382 122.635 122.820 0.328 0.000 1.933 138 A HA -0.238 4.083 4.320 0.001 0.000 0.218 138 A C 1.622 179.325 177.584 0.198 0.000 1.175 138 A CA 1.455 53.611 52.037 0.198 0.000 0.628 138 A CB -1.131 17.948 19.000 0.133 0.000 0.814 138 A HN 0.405 nan 8.150 nan 0.000 0.444 139 F N 0.934 120.930 119.950 0.077 0.000 2.113 139 F HA 0.034 4.562 4.527 0.001 0.000 0.297 139 F C 2.454 178.297 175.800 0.072 0.000 1.103 139 F CA 1.162 59.176 58.000 0.023 0.000 1.248 139 F CB -0.473 38.479 39.000 -0.081 0.000 0.999 139 F HN 0.223 nan 8.300 nan 0.000 0.475 140 A N 0.344 123.451 122.820 0.478 0.000 1.930 140 A HA -0.049 4.272 4.320 0.001 0.000 0.217 140 A C 2.201 179.950 177.584 0.276 0.000 1.175 140 A CA 1.834 54.139 52.037 0.446 0.000 0.627 140 A CB -0.871 18.478 19.000 0.582 0.000 0.815 140 A HN 0.508 nan 8.150 nan 0.000 0.443 141 L N -1.959 119.412 121.223 0.247 0.000 2.269 141 L HA 0.083 4.424 4.340 0.001 0.000 0.200 141 L C 2.093 178.987 176.870 0.040 0.000 1.069 141 L CA 0.847 55.764 54.840 0.130 0.000 0.804 141 L CB -0.257 41.854 42.059 0.087 0.000 0.987 141 L HN 0.324 nan 8.230 nan 0.000 0.468 142 E N -0.555 119.660 120.200 0.025 0.000 2.476 142 E HA 0.006 4.356 4.350 0.001 0.000 0.199 142 E C 0.108 176.659 176.600 -0.082 0.000 1.021 142 E CA -0.115 56.274 56.400 -0.019 0.000 0.907 142 E CB 0.357 30.057 29.700 -0.000 0.000 0.974 142 E HN 0.281 nan 8.360 nan 0.000 0.489 143 N N 1.737 120.337 118.700 -0.167 0.000 2.782 143 N HA -0.188 4.552 4.740 0.001 0.000 0.251 143 N C -0.482 174.864 175.510 -0.274 0.000 1.101 143 N CA 0.715 53.537 53.050 -0.380 0.000 0.764 143 N CB -0.817 37.504 38.487 -0.276 0.000 1.122 143 N HN 0.181 nan 8.380 nan 0.000 0.561 144 K N 1.276 121.615 120.400 -0.101 0.000 2.322 144 K HA 0.303 4.624 4.320 0.001 0.000 0.283 144 K C -2.412 174.255 176.600 0.112 0.000 1.042 144 K CA -1.166 55.122 56.287 0.002 0.000 0.958 144 K CB 0.729 33.252 32.500 0.039 0.000 0.984 144 K HN -0.059 nan 8.250 nan 0.000 0.473 145 P HA -0.039 nan 4.420 nan 0.000 0.268 145 P C -1.087 176.301 177.300 0.147 0.000 1.205 145 P CA -0.385 62.831 63.100 0.193 0.000 0.771 145 P CB 0.710 32.475 31.700 0.108 0.000 0.858 146 V N 3.573 123.560 119.914 0.122 0.000 2.356 146 V HA 0.048 4.168 4.120 0.001 0.000 0.258 146 V C 0.797 176.904 176.094 0.022 0.000 1.065 146 V CA 0.089 62.411 62.300 0.038 0.000 0.935 146 V CB 0.131 31.923 31.823 -0.050 0.000 1.061 146 V HN 0.615 nan 8.190 nan 0.000 0.484 147 D N 2.692 123.109 120.400 0.028 0.000 2.344 147 D HA -0.023 4.617 4.640 0.001 0.000 0.242 147 D C 0.531 176.837 176.300 0.011 0.000 1.159 147 D CA 0.027 54.039 54.000 0.020 0.000 0.859 147 D CB 0.199 41.013 40.800 0.024 0.000 0.925 147 D HN 0.595 nan 8.370 nan 0.000 0.510 148 Q N 0.701 120.503 119.800 0.004 0.000 2.256 148 Q HA 0.379 4.720 4.340 0.001 0.000 0.257 148 Q C -2.514 173.482 176.000 -0.006 0.000 0.936 148 Q CA -2.257 53.547 55.803 0.001 0.000 0.903 148 Q CB 1.440 30.178 28.738 -0.001 0.000 1.263 148 Q HN -0.055 nan 8.270 nan 0.000 0.440 149 P HA 0.035 nan 4.420 nan 0.000 0.268 149 P C -1.125 176.169 177.300 -0.010 0.000 1.205 149 P CA -0.099 62.999 63.100 -0.004 0.000 0.771 149 P CB 0.503 32.205 31.700 0.003 0.000 0.858 150 R N 3.477 123.969 120.500 -0.014 0.000 2.399 150 R HA 0.136 4.477 4.340 0.001 0.000 0.324 150 R C 0.329 176.623 176.300 -0.009 0.000 1.030 150 R CA 0.523 56.611 56.100 -0.019 0.000 0.984 150 R CB -0.061 30.226 30.300 -0.022 0.000 0.961 150 R HN 0.503 nan 8.270 nan 0.000 0.433 151 K N 0.941 121.336 120.400 -0.007 0.000 2.295 151 K HA 0.716 5.037 4.320 0.001 0.000 0.239 151 K C -0.845 175.757 176.600 0.003 0.000 0.991 151 K CA -0.840 55.449 56.287 0.004 0.000 0.845 151 K CB 2.290 34.796 32.500 0.010 0.000 1.197 151 K HN 0.549 nan 8.250 nan 0.000 0.441 152 A N 1.585 124.413 122.820 0.013 0.000 2.427 152 A HA 0.317 4.637 4.320 0.001 0.000 0.298 152 A C -1.413 176.189 177.584 0.030 0.000 1.036 152 A CA -0.830 51.216 52.037 0.015 0.000 0.701 152 A CB 0.951 19.956 19.000 0.008 0.000 1.250 152 A HN 0.639 nan 8.150 nan 0.000 0.412 153 D N 1.447 121.867 120.400 0.033 0.000 2.308 153 D HA 0.395 5.036 4.640 0.001 0.000 0.251 153 D C -0.609 175.729 176.300 0.064 0.000 1.127 153 D CA 0.453 54.480 54.000 0.046 0.000 0.876 153 D CB 1.742 42.570 40.800 0.046 0.000 1.176 153 D HN 0.163 nan 8.370 nan 0.000 0.446 154 V N 4.901 124.859 119.914 0.074 0.000 2.357 154 V HA 0.279 4.400 4.120 0.001 0.000 0.281 154 V C 0.320 176.465 176.094 0.086 0.000 1.015 154 V CA -0.650 61.724 62.300 0.124 0.000 0.827 154 V CB 0.992 32.913 31.823 0.163 0.000 1.018 154 V HN 0.365 nan 8.190 nan 0.000 0.432 155 I N 5.757 126.392 120.570 0.107 0.000 2.312 155 I HA 0.447 4.618 4.170 0.001 0.000 0.291 155 I C 0.056 176.191 176.117 0.030 0.000 1.031 155 I CA 0.073 61.409 61.300 0.059 0.000 1.293 155 I CB 1.168 39.237 38.000 0.116 0.000 1.403 155 I HN 0.446 nan 8.210 nan 0.000 0.484 156 M N 6.451 125.985 119.600 -0.110 0.000 2.644 156 M HA 0.480 4.961 4.480 0.001 0.000 0.316 156 M C -1.035 175.148 176.300 -0.196 0.000 1.200 156 M CA -0.918 54.243 55.300 -0.231 0.000 0.944 156 M CB 2.548 34.927 32.600 -0.368 0.000 1.691 156 M HN 0.337 nan 8.290 nan 0.000 0.471 157 L N 2.199 123.301 121.223 -0.202 0.000 2.345 157 L HA 0.392 4.733 4.340 0.001 0.000 0.274 157 L C -1.183 175.588 176.870 -0.165 0.000 0.999 157 L CA -0.138 54.616 54.840 -0.145 0.000 0.849 157 L CB 0.864 42.871 42.059 -0.087 0.000 1.220 157 L HN 0.562 nan 8.230 nan 0.000 0.422 158 D N 4.467 124.785 120.400 -0.136 0.000 2.500 158 D HA 0.545 5.186 4.640 0.001 0.000 0.219 158 D C 1.012 177.267 176.300 -0.075 0.000 1.137 158 D CA 0.958 54.890 54.000 -0.112 0.000 0.946 158 D CB 0.442 41.209 40.800 -0.056 0.000 1.022 158 D HN 0.856 nan 8.370 nan 0.000 0.518 159 G N 4.775 113.514 108.800 -0.102 0.000 2.950 159 G HA2 -0.370 3.591 3.960 0.001 0.000 0.299 159 G HA3 -0.370 3.591 3.960 0.001 0.000 0.299 159 G C 0.785 175.588 174.900 -0.163 0.000 1.310 159 G CA 0.676 45.707 45.100 -0.115 0.000 0.994 159 G HN 0.650 nan 8.290 nan 0.000 0.575 160 K N 0.698 120.919 120.400 -0.299 0.000 2.413 160 K HA 0.349 4.670 4.320 0.001 0.000 0.204 160 K C 0.140 176.518 176.600 -0.370 0.000 1.041 160 K CA -0.186 55.921 56.287 -0.299 0.000 1.082 160 K CB 0.344 32.673 32.500 -0.284 0.000 0.871 160 K HN 0.594 nan 8.250 nan 0.000 0.535 161 H N 1.421 120.425 119.070 -0.112 0.000 2.489 161 H HA 0.263 4.819 4.556 0.001 0.000 0.322 161 H C -0.195 175.024 175.328 -0.182 0.000 1.091 161 H CA -0.805 55.153 56.048 -0.150 0.000 1.291 161 H CB 1.308 31.000 29.762 -0.118 0.000 1.436 161 H HN 0.032 nan 8.280 nan 0.000 0.480 162 I N 4.689 125.187 120.570 -0.119 0.000 2.365 162 I HA 0.192 4.363 4.170 0.001 0.000 0.291 162 I C 0.579 176.573 176.117 -0.205 0.000 1.004 162 I CA -0.207 60.966 61.300 -0.211 0.000 1.311 162 I CB 0.589 38.343 38.000 -0.411 0.000 1.401 162 I HN 0.423 nan 8.210 nan 0.000 0.491 163 I N 5.813 126.240 120.570 -0.238 0.000 2.478 163 I HA 0.283 4.454 4.170 0.001 0.000 0.287 163 I C -0.095 175.823 176.117 -0.331 0.000 1.042 163 I CA -0.615 60.477 61.300 -0.347 0.000 1.067 163 I CB 1.952 39.607 38.000 -0.576 0.000 1.233 163 I HN 0.455 nan 8.210 nan 0.000 0.431 164 E N 5.322 125.375 120.200 -0.246 0.000 2.115 164 E HA 0.637 4.988 4.350 0.001 0.000 0.282 164 E C -0.655 175.843 176.600 -0.171 0.000 0.987 164 E CA -0.481 55.838 56.400 -0.135 0.000 0.797 164 E CB 1.871 31.562 29.700 -0.014 0.000 1.086 164 E HN 0.676 nan 8.360 nan 0.000 0.397 165 A N 2.923 125.658 122.820 -0.142 0.000 2.355 165 A HA 0.646 4.967 4.320 0.001 0.000 0.324 165 A C -0.818 176.787 177.584 0.036 0.000 1.117 165 A CA -0.627 51.379 52.037 -0.051 0.000 0.785 165 A CB 1.449 20.409 19.000 -0.066 0.000 1.254 165 A HN 0.402 nan 8.150 nan 0.000 0.453 166 V N 2.415 122.374 119.914 0.074 0.000 2.444 166 V HA 0.530 4.651 4.120 0.001 0.000 0.294 166 V C -0.178 175.963 176.094 0.079 0.000 1.022 166 V CA -0.493 61.846 62.300 0.066 0.000 0.850 166 V CB 1.429 33.285 31.823 0.055 0.000 0.992 166 V HN 1.038 nan 8.190 nan 0.000 0.426 167 V N 0.915 120.868 119.914 0.065 0.000 2.547 167 V HA 0.665 4.785 4.120 0.001 0.000 0.299 167 V C -0.347 175.769 176.094 0.038 0.000 1.040 167 V CA -0.589 61.746 62.300 0.060 0.000 0.913 167 V CB 2.021 33.877 31.823 0.056 0.000 0.992 167 V HN 0.788 nan 8.190 nan 0.000 0.449 168 D N 3.347 123.767 120.400 0.034 0.000 2.428 168 D HA 0.335 4.976 4.640 0.001 0.000 0.221 168 D C 0.902 177.210 176.300 0.014 0.000 1.123 168 D CA -0.142 53.871 54.000 0.022 0.000 0.869 168 D CB 1.426 42.239 40.800 0.022 0.000 1.032 168 D HN 0.665 nan 8.370 nan 0.000 0.506 169 L N 2.799 124.026 121.223 0.007 0.000 2.141 169 L HA -0.127 4.214 4.340 0.001 0.000 0.209 169 L C 2.489 179.359 176.870 -0.000 0.000 1.094 169 L CA 0.702 55.543 54.840 0.001 0.000 0.763 169 L CB -0.194 41.862 42.059 -0.006 0.000 0.908 169 L HN 0.484 nan 8.230 nan 0.000 0.437 170 Q N 0.372 120.173 119.800 0.001 0.000 2.124 170 Q HA -0.157 4.184 4.340 0.001 0.000 0.202 170 Q C 1.111 177.114 176.000 0.003 0.000 0.977 170 Q CA 1.311 57.114 55.803 0.001 0.000 0.850 170 Q CB 0.253 28.992 28.738 0.001 0.000 0.901 170 Q HN 0.509 nan 8.270 nan 0.000 0.429 171 N N 0.598 119.302 118.700 0.006 0.000 2.214 171 N HA 0.000 4.741 4.740 0.001 0.000 0.214 171 N C -0.669 174.846 175.510 0.008 0.000 1.132 171 N CA 0.090 53.144 53.050 0.007 0.000 0.856 171 N CB 0.341 38.834 38.487 0.010 0.000 1.020 171 N HN 0.236 nan 8.380 nan 0.000 0.509 172 N N 1.880 120.583 118.700 0.007 0.000 2.686 172 N HA -0.244 4.496 4.740 0.001 0.000 0.261 172 N C -1.107 174.410 175.510 0.012 0.000 1.001 172 N CA 0.897 53.951 53.050 0.006 0.000 0.764 172 N CB -0.852 37.635 38.487 0.001 0.000 0.898 172 N HN 0.501 nan 8.380 nan 0.000 0.544 173 K N -0.835 119.576 120.400 0.020 0.000 2.527 173 K HA 0.536 4.857 4.320 0.001 0.000 0.260 173 K C -1.161 175.465 176.600 0.044 0.000 0.937 173 K CA -1.253 55.051 56.287 0.027 0.000 0.826 173 K CB 1.067 33.581 32.500 0.023 0.000 1.359 173 K HN 0.017 nan 8.250 nan 0.000 0.434 174 L N 3.382 124.640 121.223 0.057 0.000 2.367 174 L HA 0.219 4.559 4.340 0.001 0.000 0.275 174 L C 0.056 176.975 176.870 0.082 0.000 1.129 174 L CA -0.026 54.868 54.840 0.090 0.000 0.839 174 L CB 0.411 42.542 42.059 0.120 0.000 1.133 174 L HN 0.889 nan 8.230 nan 0.000 0.453 175 L N 3.073 124.349 121.223 0.088 0.000 2.470 175 L HA 0.292 4.632 4.340 0.001 0.000 0.219 175 L C 0.328 177.254 176.870 0.093 0.000 1.071 175 L CA 0.454 55.338 54.840 0.075 0.000 0.850 175 L CB -0.097 41.997 42.059 0.058 0.000 1.040 175 L HN 0.821 nan 8.230 nan 0.000 0.475 176 S N -2.100 113.678 115.700 0.130 0.000 2.552 176 S HA 0.373 4.844 4.470 0.001 0.000 0.272 176 S C -1.996 172.753 174.600 0.248 0.000 1.150 176 S CA -0.733 57.561 58.200 0.157 0.000 0.849 176 S CB 1.942 65.204 63.200 0.104 0.000 1.113 176 S HN 0.214 nan 8.310 nan 0.000 0.458 177 W N 2.849 124.170 121.300 0.035 0.000 2.538 177 W HA 0.399 5.059 4.660 0.001 0.000 0.291 177 W C -1.865 174.668 176.519 0.024 0.000 1.020 177 W CA -0.328 57.040 57.345 0.038 0.000 1.375 177 W CB 1.063 30.547 29.460 0.040 0.000 1.247 177 W HN 0.910 nan 8.180 nan 0.000 0.377 178 Q N 5.567 125.382 119.800 0.024 0.000 2.357 178 Q HA 0.348 4.689 4.340 0.001 0.000 0.266 178 Q C -2.316 173.646 176.000 -0.064 0.000 1.021 178 Q CA -1.834 53.989 55.803 0.033 0.000 0.784 178 Q CB 2.586 31.345 28.738 0.034 0.000 1.243 178 Q HN 0.057 nan 8.270 nan 0.000 0.465 179 P HA 0.087 nan 4.420 nan 0.000 0.271 179 P C -0.806 176.446 177.300 -0.080 0.000 1.218 179 P CA -0.101 62.955 63.100 -0.073 0.000 0.780 179 P CB 0.674 32.360 31.700 -0.023 0.000 0.901 180 I N 2.866 123.360 120.570 -0.128 0.000 2.405 180 I HA 0.170 4.340 4.170 0.001 0.000 0.280 180 I C 0.849 176.872 176.117 -0.157 0.000 1.027 180 I CA -1.249 59.968 61.300 -0.139 0.000 1.161 180 I CB 0.512 38.378 38.000 -0.224 0.000 1.300 180 I HN 0.356 nan 8.210 nan 0.000 0.463 181 K N 5.327 125.663 120.400 -0.106 0.000 2.355 181 K HA 0.091 4.411 4.320 0.001 0.000 0.270 181 K C -0.019 176.510 176.600 -0.117 0.000 1.003 181 K CA -0.034 56.192 56.287 -0.101 0.000 0.957 181 K CB 1.014 33.472 32.500 -0.069 0.000 0.939 181 K HN 0.533 nan 8.250 nan 0.000 0.482 182 D N -1.345 118.973 120.400 -0.137 0.000 3.059 182 D HA -0.197 4.444 4.640 0.001 0.000 0.213 182 D C -0.345 175.810 176.300 -0.242 0.000 1.144 182 D CA 1.713 55.612 54.000 -0.168 0.000 0.975 182 D CB -1.210 39.538 40.800 -0.087 0.000 1.125 182 D HN 0.786 nan 8.370 nan 0.000 0.412 183 A N 0.504 123.145 122.820 -0.299 0.000 2.292 183 A HA 0.518 4.839 4.320 0.001 0.000 0.319 183 A C 0.026 177.353 177.584 -0.428 0.000 1.206 183 A CA -0.364 51.455 52.037 -0.364 0.000 0.835 183 A CB 1.006 19.641 19.000 -0.607 0.000 1.164 183 A HN 0.155 nan 8.150 nan 0.000 0.505 184 H N 0.902 119.870 119.070 -0.171 0.000 2.472 184 H HA 0.504 5.060 4.556 0.001 0.000 0.335 184 H C 0.770 176.028 175.328 -0.117 0.000 1.136 184 H CA 0.440 56.407 56.048 -0.136 0.000 1.264 184 H CB 1.873 31.581 29.762 -0.090 0.000 1.486 184 H HN 0.856 nan 8.280 nan 0.000 0.517 185 G N 1.449 110.267 108.800 0.030 0.000 2.451 185 G HA2 0.394 4.355 3.960 0.001 0.000 0.303 185 G HA3 0.394 4.355 3.960 0.001 0.000 0.303 185 G C 0.587 175.498 174.900 0.018 0.000 1.166 185 G CA -0.736 44.376 45.100 0.020 0.000 0.884 185 G HN 0.646 nan 8.290 nan 0.000 0.514 186 M N 0.115 119.725 119.600 0.015 0.000 2.113 186 M HA 0.398 4.879 4.480 0.001 0.000 0.288 186 M C -0.232 176.005 176.300 -0.104 0.000 1.225 186 M CA -0.314 54.952 55.300 -0.057 0.000 1.148 186 M CB 0.256 32.831 32.600 -0.042 0.000 1.388 186 M HN 0.103 nan 8.290 nan 0.000 0.469 187 V N 2.341 122.125 119.914 -0.216 0.000 2.555 187 V HA 0.275 4.395 4.120 0.001 0.000 0.286 187 V C 0.341 176.414 176.094 -0.034 0.000 1.044 187 V CA -0.286 61.895 62.300 -0.198 0.000 1.026 187 V CB 0.508 32.069 31.823 -0.438 0.000 0.981 187 V HN 0.628 nan 8.190 nan 0.000 0.480 188 L N 4.017 125.237 121.223 -0.005 0.000 2.334 188 L HA 0.370 4.711 4.340 0.001 0.000 0.270 188 L C 1.124 177.964 176.870 -0.050 0.000 1.018 188 L CA -0.792 54.020 54.840 -0.047 0.000 0.811 188 L CB 1.386 43.362 42.059 -0.139 0.000 1.271 188 L HN 0.500 nan 8.230 nan 0.000 0.443 189 L N 1.665 122.716 121.223 -0.288 0.000 2.051 189 L HA -0.259 4.081 4.340 0.001 0.000 0.214 189 L C 2.118 178.830 176.870 -0.264 0.000 1.076 189 L CA 2.164 56.785 54.840 -0.366 0.000 0.758 189 L CB -0.643 41.209 42.059 -0.344 0.000 0.890 189 L HN 0.881 nan 8.230 nan 0.000 0.433 190 D N -2.362 117.727 120.400 -0.518 0.000 2.348 190 D HA -0.182 4.459 4.640 0.001 0.000 0.216 190 D C 1.296 177.577 176.300 -0.031 0.000 0.970 190 D CA 0.833 54.707 54.000 -0.210 0.000 0.889 190 D CB -0.501 40.184 40.800 -0.192 0.000 0.912 190 D HN 0.402 nan 8.370 nan 0.000 0.524 191 D N 0.010 120.421 120.400 0.019 0.000 2.224 191 D HA -0.076 4.564 4.640 0.001 0.000 0.205 191 D C 1.691 178.026 176.300 0.059 0.000 0.965 191 D CA 0.425 54.436 54.000 0.018 0.000 0.852 191 D CB -0.316 40.465 40.800 -0.032 0.000 0.947 191 D HN 0.225 nan 8.370 nan 0.000 0.494 192 F N 1.831 121.738 119.950 -0.071 0.000 2.075 192 F HA -0.101 4.426 4.527 0.001 0.000 0.297 192 F C 2.601 178.368 175.800 -0.054 0.000 1.113 192 F CA 0.909 58.886 58.000 -0.039 0.000 1.218 192 F CB -1.002 37.992 39.000 -0.011 0.000 0.984 192 F HN -0.084 nan 8.300 nan 0.000 0.472 193 A N -1.080 121.838 122.820 0.164 0.000 1.933 193 A HA -0.192 4.129 4.320 0.001 0.000 0.218 193 A C 2.397 179.988 177.584 0.012 0.000 1.175 193 A CA 1.902 53.977 52.037 0.064 0.000 0.628 193 A CB -1.259 17.772 19.000 0.051 0.000 0.814 193 A HN 0.342 nan 8.150 nan 0.000 0.444 194 S N -0.581 115.122 115.700 0.004 0.000 2.359 194 S HA -0.151 4.319 4.470 0.001 0.000 0.224 194 S C 1.933 176.494 174.600 -0.065 0.000 1.035 194 S CA 1.787 59.969 58.200 -0.030 0.000 1.018 194 S CB -0.529 62.650 63.200 -0.035 0.000 0.876 194 S HN 0.311 nan 8.310 nan 0.000 0.448 195 V N 1.663 121.527 119.914 -0.084 0.000 2.261 195 V HA -0.169 3.952 4.120 0.001 0.000 0.246 195 V C 2.732 178.734 176.094 -0.154 0.000 1.047 195 V CA 2.332 64.552 62.300 -0.134 0.000 1.015 195 V CB -0.978 30.748 31.823 -0.162 0.000 0.642 195 V HN 0.522 nan 8.190 nan 0.000 0.446 196 Q N 0.822 120.550 119.800 -0.120 0.000 2.135 196 Q HA -0.235 4.105 4.340 0.001 0.000 0.204 196 Q C 1.912 177.839 176.000 -0.122 0.000 0.981 196 Q CA 2.457 58.183 55.803 -0.129 0.000 0.856 196 Q CB -0.625 28.063 28.738 -0.082 0.000 0.902 196 Q HN 0.715 nan 8.270 nan 0.000 0.425 197 N N -0.671 117.977 118.700 -0.087 0.000 2.142 197 N HA -0.059 4.682 4.740 0.001 0.000 0.186 197 N C 1.496 176.953 175.510 -0.088 0.000 1.023 197 N CA 1.494 54.502 53.050 -0.070 0.000 0.852 197 N CB -0.134 38.327 38.487 -0.043 0.000 0.998 197 N HN 0.380 nan 8.380 nan 0.000 0.424 198 I N -0.291 120.214 120.570 -0.107 0.000 2.286 198 I HA -0.208 3.963 4.170 0.001 0.000 0.248 198 I C 1.521 177.542 176.117 -0.161 0.000 1.115 198 I CA 0.637 61.868 61.300 -0.115 0.000 1.392 198 I CB -0.168 37.761 38.000 -0.119 0.000 1.065 198 I HN 0.162 nan 8.210 nan 0.000 0.418 199 I N 0.955 121.372 120.570 -0.256 0.000 2.394 199 I HA -0.248 3.923 4.170 0.001 0.000 0.251 199 I C 2.035 178.018 176.117 -0.223 0.000 1.136 199 I CA 1.623 62.671 61.300 -0.421 0.000 1.425 199 I CB -0.764 36.810 38.000 -0.711 0.000 1.079 199 I HN 0.223 nan 8.210 nan 0.000 0.425 200 N N 0.107 118.723 118.700 -0.140 0.000 2.244 200 N HA -0.121 4.619 4.740 0.001 0.000 0.183 200 N C 1.115 176.607 175.510 -0.031 0.000 1.016 200 N CA 0.997 54.010 53.050 -0.062 0.000 0.866 200 N CB -0.224 38.231 38.487 -0.054 0.000 0.980 200 N HN 0.479 nan 8.380 nan 0.000 0.430 201 N N -0.114 118.561 118.700 -0.042 0.000 2.336 201 N HA 0.014 4.755 4.740 0.001 0.000 0.189 201 N C -0.348 175.156 175.510 -0.009 0.000 1.113 201 N CA -0.196 52.840 53.050 -0.022 0.000 0.858 201 N CB 0.461 38.932 38.487 -0.028 0.000 0.970 201 N HN -0.066 nan 8.380 nan 0.000 0.471 202 S N 1.656 117.354 115.700 -0.004 0.000 2.400 202 S HA 0.014 4.485 4.470 0.001 0.000 0.295 202 S C 1.376 176.020 174.600 0.074 0.000 1.113 202 S CA -0.736 57.484 58.200 0.034 0.000 1.064 202 S CB 0.402 63.631 63.200 0.049 0.000 0.990 202 S HN 0.232 nan 8.310 nan 0.000 0.502 203 E N 5.127 125.355 120.200 0.046 0.000 2.110 203 E HA -0.227 4.123 4.350 0.001 0.000 0.193 203 E C 1.086 177.715 176.600 0.048 0.000 0.988 203 E CA 1.470 57.894 56.400 0.040 0.000 0.804 203 E CB -0.433 29.279 29.700 0.021 0.000 0.745 203 E HN 0.867 nan 8.360 nan 0.000 0.458 204 E N -0.057 120.176 120.200 0.055 0.000 2.028 204 E HA -0.099 4.252 4.350 0.001 0.000 0.191 204 E C 1.958 178.590 176.600 0.053 0.000 0.988 204 E CA 1.051 57.476 56.400 0.042 0.000 0.799 204 E CB -0.394 29.330 29.700 0.040 0.000 0.755 204 E HN 0.241 nan 8.360 nan 0.000 0.447 205 F N 1.608 121.540 119.950 -0.030 0.000 2.161 205 F HA -0.210 4.318 4.527 0.001 0.000 0.300 205 F C 2.181 177.963 175.800 -0.030 0.000 1.089 205 F CA 1.379 59.358 58.000 -0.034 0.000 1.282 205 F CB -0.167 38.809 39.000 -0.041 0.000 1.010 205 F HN -0.052 nan 8.300 nan 0.000 0.485 206 A N -0.070 122.851 122.820 0.168 0.000 1.969 206 A HA -0.007 4.314 4.320 0.001 0.000 0.218 206 A C 2.354 179.926 177.584 -0.019 0.000 1.169 206 A CA 1.527 53.616 52.037 0.086 0.000 0.635 206 A CB -1.347 17.701 19.000 0.080 0.000 0.810 206 A HN 0.462 nan 8.150 nan 0.000 0.445 207 A N -0.196 122.604 122.820 -0.033 0.000 1.897 207 A HA 0.285 4.606 4.320 0.001 0.000 0.215 207 A C 2.486 180.006 177.584 -0.107 0.000 1.181 207 A CA 1.670 53.675 52.037 -0.053 0.000 0.620 207 A CB -0.959 18.020 19.000 -0.035 0.000 0.821 207 A HN 0.966 nan 8.150 nan 0.000 0.443 208 A N -0.448 122.266 122.820 -0.177 0.000 1.902 208 A HA -0.019 4.301 4.320 0.001 0.000 0.217 208 A C 2.218 179.635 177.584 -0.278 0.000 1.181 208 A CA 1.847 53.737 52.037 -0.246 0.000 0.623 208 A CB -0.906 17.878 19.000 -0.359 0.000 0.818 208 A HN 0.366 nan 8.150 nan 0.000 0.443 209 V N 0.154 119.858 119.914 -0.350 0.000 2.358 209 V HA -0.256 3.865 4.120 0.001 0.000 0.246 209 V C 2.533 178.555 176.094 -0.120 0.000 1.047 209 V CA 2.349 64.496 62.300 -0.254 0.000 1.035 209 V CB -0.623 31.083 31.823 -0.195 0.000 0.658 209 V HN 0.700 nan 8.190 nan 0.000 0.452 210 K N 1.126 121.473 120.400 -0.088 0.000 2.032 210 K HA -0.246 4.075 4.320 0.001 0.000 0.209 210 K C 2.117 178.689 176.600 -0.048 0.000 1.048 210 K CA 1.951 58.208 56.287 -0.049 0.000 0.927 210 K CB -0.182 32.297 32.500 -0.035 0.000 0.712 210 K HN 0.625 nan 8.250 nan 0.000 0.441 211 K N -0.005 120.359 120.400 -0.060 0.000 2.442 211 K HA -0.108 4.212 4.320 0.001 0.000 0.198 211 K C 1.013 177.585 176.600 -0.046 0.000 1.042 211 K CA 0.951 57.209 56.287 -0.049 0.000 0.958 211 K CB -0.009 32.459 32.500 -0.053 0.000 0.766 211 K HN 0.082 nan 8.250 nan 0.000 0.474 212 R N 0.425 120.891 120.500 -0.057 0.000 2.586 212 R HA 0.114 4.455 4.340 0.001 0.000 0.306 212 R C 0.382 176.669 176.300 -0.022 0.000 1.079 212 R CA 0.300 56.374 56.100 -0.044 0.000 1.083 212 R CB 0.532 30.792 30.300 -0.066 0.000 1.306 212 R HN 0.535 nan 8.270 nan 0.000 0.567 213 G N 0.991 109.780 108.800 -0.017 0.000 2.205 213 G HA2 -0.280 3.681 3.960 0.001 0.000 0.261 213 G HA3 -0.280 3.681 3.960 0.001 0.000 0.261 213 G C 0.091 174.991 174.900 -0.000 0.000 0.980 213 G CA -0.186 44.912 45.100 -0.004 0.000 0.632 213 G HN 0.199 nan 8.290 nan 0.000 0.533 214 I N 2.097 122.662 120.570 -0.007 0.000 2.416 214 I HA 0.409 4.579 4.170 0.001 0.000 0.288 214 I C 1.827 177.943 176.117 -0.002 0.000 1.051 214 I CA 0.737 62.037 61.300 0.001 0.000 1.375 214 I CB 1.546 39.548 38.000 0.003 0.000 1.407 214 I HN 0.289 nan 8.210 nan 0.000 0.516 215 T N 0.439 114.995 114.554 0.003 0.000 2.925 215 T HA 0.043 4.393 4.350 0.001 0.000 0.245 215 T C 0.704 175.406 174.700 0.005 0.000 1.025 215 T CA 0.260 62.361 62.100 0.002 0.000 1.149 215 T CB 0.002 68.871 68.868 0.002 0.000 0.866 215 T HN 0.502 nan 8.240 nan 0.000 0.437 216 D N 1.377 121.781 120.400 0.007 0.000 2.443 216 D HA 0.530 5.171 4.640 0.001 0.000 0.221 216 D C 1.001 177.311 176.300 0.016 0.000 1.097 216 D CA -0.199 53.806 54.000 0.009 0.000 0.865 216 D CB 1.490 42.292 40.800 0.005 0.000 1.034 216 D HN 0.332 nan 8.370 nan 0.000 0.511 217 A N 4.219 127.053 122.820 0.024 0.000 2.172 217 A HA -0.137 4.184 4.320 0.001 0.000 0.216 217 A C 1.794 179.398 177.584 0.033 0.000 1.154 217 A CA 0.931 52.994 52.037 0.044 0.000 0.701 217 A CB 0.017 19.054 19.000 0.061 0.000 0.789 217 A HN 0.393 nan 8.150 nan 0.000 0.465 218 K N 0.379 120.788 120.400 0.015 0.000 2.365 218 K HA 0.001 4.321 4.320 0.001 0.000 0.199 218 K C 1.150 177.746 176.600 -0.006 0.000 1.045 218 K CA 0.962 57.250 56.287 0.002 0.000 0.962 218 K CB -0.018 32.481 32.500 -0.001 0.000 0.759 218 K HN 0.484 nan 8.250 nan 0.000 0.469 219 K N 0.445 120.846 120.400 0.001 0.000 2.437 219 K HA 0.141 4.462 4.320 0.001 0.000 0.198 219 K C -0.544 176.054 176.600 -0.003 0.000 1.024 219 K CA -0.067 56.217 56.287 -0.005 0.000 1.148 219 K CB 0.655 33.155 32.500 -0.001 0.000 0.860 219 K HN -0.144 nan 8.250 nan 0.000 0.515 220 V N 2.514 122.430 119.914 0.003 0.000 2.406 220 V HA 0.159 4.280 4.120 0.001 0.000 0.272 220 V C -0.111 175.945 176.094 -0.063 0.000 1.043 220 V CA -0.614 61.694 62.300 0.014 0.000 0.915 220 V CB 0.675 32.552 31.823 0.089 0.000 0.988 220 V HN 0.080 nan 8.190 nan 0.000 0.466 221 I N 5.290 125.790 120.570 -0.117 0.000 2.336 221 I HA 0.409 4.580 4.170 0.001 0.000 0.292 221 I C 0.791 176.790 176.117 -0.198 0.000 0.991 221 I CA 0.284 61.412 61.300 -0.287 0.000 1.227 221 I CB 1.817 39.379 38.000 -0.730 0.000 1.366 221 I HN 0.782 nan 8.210 nan 0.000 0.466 222 T N 1.456 115.894 114.554 -0.193 0.000 2.912 222 T HA 0.868 5.218 4.350 0.001 0.000 0.280 222 T C -0.051 174.581 174.700 -0.114 0.000 0.989 222 T CA -0.635 61.382 62.100 -0.138 0.000 0.995 222 T CB 1.579 70.336 68.868 -0.186 0.000 1.077 222 T HN 0.641 nan 8.240 nan 0.000 0.531 223 T N -0.969 113.549 114.554 -0.061 0.000 2.952 223 T HA 0.615 4.966 4.350 0.001 0.000 0.305 223 T C -3.370 171.273 174.700 -0.095 0.000 1.064 223 T CA -1.816 60.264 62.100 -0.034 0.000 1.008 223 T CB 1.581 70.520 68.868 0.119 0.000 1.078 223 T HN 0.449 nan 8.240 nan 0.000 0.459 224 P HA 0.537 nan 4.420 nan 0.000 0.291 224 P C -0.947 176.328 177.300 -0.041 0.000 1.340 224 P CA -0.536 62.415 63.100 -0.248 0.000 0.799 224 P CB 0.454 31.790 31.700 -0.607 0.000 0.917 225 L N 2.626 123.887 121.223 0.064 0.000 2.346 225 L HA 0.545 4.886 4.340 0.001 0.000 0.274 225 L C 0.854 177.846 176.870 0.202 0.000 1.007 225 L CA -0.858 54.149 54.840 0.278 0.000 0.818 225 L CB 2.032 44.355 42.059 0.440 0.000 1.284 225 L HN 0.261 nan 8.230 nan 0.000 0.424 226 T N -1.576 113.141 114.554 0.272 0.000 2.898 226 T HA 0.192 4.542 4.350 0.001 0.000 0.301 226 T C 1.028 175.827 174.700 0.164 0.000 1.049 226 T CA -0.530 61.645 62.100 0.124 0.000 1.095 226 T CB 1.534 70.468 68.868 0.110 0.000 0.976 226 T HN 0.494 nan 8.240 nan 0.000 0.539 227 V N -1.051 118.888 119.914 0.042 0.000 3.590 227 V HA 0.520 4.641 4.120 0.001 0.000 0.265 227 V C 1.369 177.555 176.094 0.153 0.000 1.239 227 V CA 0.530 62.857 62.300 0.046 0.000 1.117 227 V CB -1.687 30.079 31.823 -0.095 0.000 0.818 227 V HN 1.634 nan 8.190 nan 0.000 0.451 228 G N 0.363 109.212 108.800 0.082 0.000 2.562 228 G HA2 -0.273 3.687 3.960 0.001 0.000 0.250 228 G HA3 -0.273 3.687 3.960 0.001 0.000 0.250 228 G C -0.694 174.199 174.900 -0.013 0.000 1.269 228 G CA 0.447 45.553 45.100 0.010 0.000 0.919 228 G HN 1.377 nan 8.290 nan 0.000 0.574 229 Y N -0.778 119.285 120.300 -0.395 0.000 2.421 229 Y HA 0.681 5.232 4.550 0.001 0.000 0.339 229 Y C -0.612 174.781 175.900 -0.846 0.000 0.996 229 Y CA -1.679 56.159 58.100 -0.435 0.000 1.046 229 Y CB 1.450 39.712 38.460 -0.331 0.000 1.226 229 Y HN 0.532 nan 8.280 nan 0.000 0.445 230 F N 4.104 123.421 119.950 -1.055 0.000 2.777 230 F HA 0.215 4.742 4.527 0.001 0.000 0.361 230 F C 0.666 175.709 175.800 -1.261 0.000 1.254 230 F CA -0.556 56.842 58.000 -1.004 0.000 1.181 230 F CB 0.298 39.120 39.000 -0.297 0.000 1.082 230 F HN 0.664 nan 8.300 nan 0.000 0.510 231 D N 0.722 119.870 120.400 -2.087 0.000 3.018 231 D HA -0.240 4.400 4.640 0.001 0.000 0.224 231 D C 1.508 177.562 176.300 -0.409 0.000 1.185 231 D CA 1.939 55.284 54.000 -1.091 0.000 0.858 231 D CB -0.770 39.742 40.800 -0.479 0.000 1.112 231 D HN 0.761 nan 8.370 nan 0.000 0.415 232 G N -1.191 107.395 108.800 -0.356 0.000 2.238 232 G HA2 -0.353 3.607 3.960 0.001 0.000 0.217 232 G HA3 -0.353 3.607 3.960 0.001 0.000 0.217 232 G C 1.059 175.911 174.900 -0.080 0.000 0.996 232 G CA 0.496 45.516 45.100 -0.133 0.000 0.632 232 G HN 0.499 nan 8.290 nan 0.000 0.503 233 K N 0.794 121.149 120.400 -0.075 0.000 2.281 233 K HA -0.079 4.242 4.320 0.001 0.000 0.203 233 K C 1.744 178.282 176.600 -0.104 0.000 1.046 233 K CA 1.491 57.738 56.287 -0.067 0.000 0.938 233 K CB -0.144 32.327 32.500 -0.047 0.000 0.737 233 K HN 0.648 nan 8.250 nan 0.000 0.458 234 D N -0.342 120.020 120.400 -0.062 0.000 2.328 234 D HA -0.001 4.640 4.640 0.001 0.000 0.226 234 D C 0.872 177.161 176.300 -0.017 0.000 1.066 234 D CA 0.493 54.475 54.000 -0.030 0.000 0.861 234 D CB -0.253 40.604 40.800 0.096 0.000 0.912 234 D HN 0.170 nan 8.370 nan 0.000 0.521 235 G N 0.683 109.463 108.800 -0.033 0.000 2.341 235 G HA2 -0.263 3.698 3.960 0.001 0.000 0.292 235 G HA3 -0.263 3.698 3.960 0.001 0.000 0.292 235 G C -0.186 174.701 174.900 -0.022 0.000 1.021 235 G CA 0.397 45.480 45.100 -0.028 0.000 0.905 235 G HN 0.449 nan 8.290 nan 0.000 0.508 236 L N -0.471 120.743 121.223 -0.015 0.000 2.349 236 L HA 0.413 4.753 4.340 0.001 0.000 0.278 236 L C 0.771 177.642 176.870 0.002 0.000 0.996 236 L CA -1.071 53.760 54.840 -0.015 0.000 0.825 236 L CB 1.866 43.913 42.059 -0.020 0.000 1.243 236 L HN 0.182 nan 8.230 nan 0.000 0.412 237 K N 2.201 122.602 120.400 0.001 0.000 2.466 237 K HA -0.111 4.210 4.320 0.001 0.000 0.278 237 K C 0.874 177.500 176.600 0.044 0.000 1.048 237 K CA 0.107 56.405 56.287 0.019 0.000 1.088 237 K CB 0.883 33.389 32.500 0.010 0.000 0.884 237 K HN 0.537 nan 8.250 nan 0.000 0.478 238 Q N 3.262 123.109 119.800 0.079 0.000 2.170 238 Q HA -0.211 4.130 4.340 0.001 0.000 0.203 238 Q C 1.241 177.348 176.000 0.178 0.000 0.976 238 Q CA 1.990 57.873 55.803 0.132 0.000 0.858 238 Q CB -0.014 28.811 28.738 0.143 0.000 0.907 238 Q HN 0.806 nan 8.270 nan 0.000 0.433 239 D N -0.506 119.958 120.400 0.108 0.000 2.144 239 D HA -0.053 4.588 4.640 0.001 0.000 0.200 239 D C -0.117 176.262 176.300 0.132 0.000 0.978 239 D CA 0.814 54.868 54.000 0.090 0.000 0.833 239 D CB -0.050 40.775 40.800 0.041 0.000 0.961 239 D HN 0.310 nan 8.370 nan 0.000 0.470 240 A N 0.710 123.582 122.820 0.088 0.000 2.371 240 A HA 0.255 4.575 4.320 0.001 0.000 0.257 240 A C 0.469 178.068 177.584 0.026 0.000 1.089 240 A CA -0.325 51.737 52.037 0.042 0.000 0.794 240 A CB 0.349 19.343 19.000 -0.011 0.000 1.029 240 A HN 0.225 nan 8.150 nan 0.000 0.488 241 R N 2.518 123.010 120.500 -0.015 0.000 2.248 241 R HA 0.461 4.802 4.340 0.001 0.000 0.337 241 R C -1.082 175.133 176.300 -0.141 0.000 1.106 241 R CA -0.019 56.022 56.100 -0.099 0.000 0.959 241 R CB -0.337 29.931 30.300 -0.053 0.000 1.075 241 R HN 0.702 nan 8.270 nan 0.000 0.480 242 L N 4.564 125.669 121.223 -0.196 0.000 2.286 242 L HA 0.691 5.032 4.340 0.001 0.000 0.265 242 L C -0.484 176.283 176.870 -0.170 0.000 1.012 242 L CA -1.326 53.416 54.840 -0.163 0.000 0.818 242 L CB 1.742 43.712 42.059 -0.149 0.000 1.337 242 L HN 0.473 nan 8.230 nan 0.000 0.438 243 L N 0.603 121.731 121.223 -0.159 0.000 2.545 243 L HA 0.418 4.758 4.340 0.001 0.000 0.258 243 L C -1.032 175.733 176.870 -0.175 0.000 0.942 243 L CA -0.691 54.056 54.840 -0.154 0.000 0.855 243 L CB 2.788 44.757 42.059 -0.152 0.000 1.374 243 L HN 0.521 nan 8.230 nan 0.000 0.411 244 K N 1.435 121.717 120.400 -0.196 0.000 2.110 244 K HA 0.681 5.001 4.320 0.001 0.000 0.263 244 K C -1.116 175.401 176.600 -0.138 0.000 0.975 244 K CA -0.693 55.438 56.287 -0.260 0.000 0.895 244 K CB 2.425 34.563 32.500 -0.603 0.000 1.060 244 K HN 0.210 nan 8.250 nan 0.000 0.448 245 V N 4.541 124.379 119.914 -0.126 0.000 2.384 245 V HA 0.322 4.443 4.120 0.001 0.000 0.287 245 V C -0.334 175.732 176.094 -0.047 0.000 1.020 245 V CA -0.902 61.342 62.300 -0.093 0.000 0.850 245 V CB 1.251 32.983 31.823 -0.151 0.000 0.987 245 V HN 0.594 nan 8.190 nan 0.000 0.436 246 I N 3.608 124.152 120.570 -0.043 0.000 2.377 246 I HA 0.514 4.685 4.170 0.001 0.000 0.293 246 I C 0.404 176.417 176.117 -0.173 0.000 0.987 246 I CA 0.158 61.390 61.300 -0.113 0.000 1.185 246 I CB 1.857 39.777 38.000 -0.134 0.000 1.341 246 I HN 0.577 nan 8.210 nan 0.000 0.455 247 S N 5.767 121.319 115.700 -0.246 0.000 2.621 247 S HA 0.784 5.255 4.470 0.001 0.000 0.302 247 S C -1.055 173.260 174.600 -0.474 0.000 1.093 247 S CA -0.454 57.625 58.200 -0.201 0.000 1.017 247 S CB 1.812 65.056 63.200 0.073 0.000 1.077 247 S HN 0.372 nan 8.310 nan 0.000 0.517 248 Y N 0.112 120.418 120.300 0.011 0.000 2.609 248 Y HA 0.628 5.178 4.550 0.001 0.000 0.342 248 Y C -0.731 175.205 175.900 0.060 0.000 1.058 248 Y CA -1.108 57.039 58.100 0.078 0.000 1.055 248 Y CB 1.099 39.634 38.460 0.126 0.000 1.292 248 Y HN 0.479 nan 8.280 nan 0.000 0.476 249 L N 2.197 123.601 121.223 0.301 0.000 2.307 249 L HA 0.463 4.803 4.340 0.001 0.000 0.284 249 L C -0.686 176.277 176.870 0.155 0.000 1.023 249 L CA -0.397 54.544 54.840 0.169 0.000 0.810 249 L CB 1.073 43.208 42.059 0.127 0.000 1.231 249 L HN 0.588 nan 8.230 nan 0.000 0.423 250 D N 3.636 124.075 120.400 0.065 0.000 2.339 250 D HA 0.124 4.765 4.640 0.001 0.000 0.241 250 D C 0.354 176.632 176.300 -0.037 0.000 1.183 250 D CA 0.064 54.094 54.000 0.049 0.000 0.859 250 D CB 1.454 42.265 40.800 0.018 0.000 1.067 250 D HN 0.421 nan 8.370 nan 0.000 0.484 251 V N 3.062 122.897 119.914 -0.131 0.000 3.621 251 V HA 0.205 4.326 4.120 0.001 0.000 0.285 251 V C 1.749 177.789 176.094 -0.090 0.000 1.346 251 V CA 0.604 62.786 62.300 -0.196 0.000 1.104 251 V CB 0.128 31.650 31.823 -0.501 0.000 0.913 251 V HN 0.893 nan 8.190 nan 0.000 0.432 252 G N 1.952 110.731 108.800 -0.035 0.000 2.175 252 G HA2 -0.251 3.709 3.960 0.001 0.000 0.244 252 G HA3 -0.251 3.709 3.960 0.001 0.000 0.244 252 G C 0.403 175.294 174.900 -0.014 0.000 0.982 252 G CA 0.407 45.498 45.100 -0.015 0.000 0.641 252 G HN 0.685 nan 8.290 nan 0.000 0.527 253 D N 0.087 120.489 120.400 0.003 0.000 2.328 253 D HA 0.384 5.024 4.640 0.001 0.000 0.226 253 D C 1.845 178.097 176.300 -0.081 0.000 1.066 253 D CA 0.560 54.554 54.000 -0.010 0.000 0.861 253 D CB -0.596 40.243 40.800 0.065 0.000 0.912 253 D HN 1.560 nan 8.370 nan 0.000 0.521 254 G N 0.639 109.409 108.800 -0.049 0.000 2.189 254 G HA2 -0.344 3.617 3.960 0.001 0.000 0.267 254 G HA3 -0.344 3.617 3.960 0.001 0.000 0.267 254 G C 0.183 175.024 174.900 -0.098 0.000 0.975 254 G CA 0.271 45.308 45.100 -0.105 0.000 0.644 254 G HN 0.628 nan 8.290 nan 0.000 0.537 255 N N -0.252 118.461 118.700 0.021 0.000 2.727 255 N HA 0.420 5.160 4.740 0.001 0.000 0.252 255 N C 0.883 176.492 175.510 0.165 0.000 1.283 255 N CA -0.493 52.633 53.050 0.125 0.000 0.782 255 N CB -0.008 38.579 38.487 0.166 0.000 1.199 255 N HN 0.348 nan 8.380 nan 0.000 0.520 256 Y N -0.206 120.162 120.300 0.113 0.000 2.421 256 Y HA 0.101 4.652 4.550 0.001 0.000 0.292 256 Y C 0.994 176.857 175.900 -0.061 0.000 1.136 256 Y CA 0.331 58.482 58.100 0.086 0.000 1.255 256 Y CB -0.605 37.779 38.460 -0.126 0.000 0.991 256 Y HN 0.333 nan 8.280 nan 0.000 0.552 257 W N 1.211 122.262 121.300 -0.415 0.000 2.421 257 W HA 0.006 4.667 4.660 0.001 0.000 0.270 257 W C 2.204 178.796 176.519 0.121 0.000 1.233 257 W CA 1.296 58.423 57.345 -0.363 0.000 1.226 257 W CB -0.238 29.011 29.460 -0.353 0.000 1.121 257 W HN 0.182 nan 8.180 nan 0.000 0.579 258 A N -0.733 122.217 122.820 0.216 0.000 2.302 258 A HA 0.057 4.378 4.320 0.001 0.000 0.219 258 A C 0.170 177.549 177.584 -0.342 0.000 1.243 258 A CA 0.389 52.509 52.037 0.138 0.000 0.856 258 A CB -0.647 18.319 19.000 -0.057 0.000 0.893 258 A HN 0.326 nan 8.150 nan 0.000 0.491 259 H N 0.316 119.653 119.070 0.446 0.000 2.511 259 H HA 0.209 4.765 4.556 0.001 0.000 0.228 259 H C -2.999 172.565 175.328 0.393 0.000 1.424 259 H CA -1.870 54.392 56.048 0.357 0.000 1.321 259 H CB -0.025 29.903 29.762 0.277 0.000 1.720 259 H HN 0.335 nan 8.280 nan 0.000 0.512 260 P HA 0.089 nan 4.420 nan 0.000 0.269 260 P C 0.353 177.707 177.300 0.090 0.000 1.209 260 P CA 0.009 63.237 63.100 0.214 0.000 0.776 260 P CB 1.617 33.465 31.700 0.246 0.000 0.876 261 I N 1.688 122.224 120.570 -0.056 0.000 2.479 261 I HA 0.200 4.370 4.170 0.001 0.000 0.279 261 I C 0.881 176.972 176.117 -0.044 0.000 1.102 261 I CA -0.661 60.623 61.300 -0.026 0.000 1.196 261 I CB 0.340 38.315 38.000 -0.042 0.000 1.427 261 I HN 0.278 nan 8.210 nan 0.000 0.503 262 E N 4.062 124.275 120.200 0.021 0.000 2.398 262 E HA 0.054 4.405 4.350 0.001 0.000 0.263 262 E C 0.384 177.012 176.600 0.046 0.000 1.046 262 E CA 0.706 57.145 56.400 0.065 0.000 0.908 262 E CB 0.264 30.041 29.700 0.128 0.000 0.963 262 E HN 0.514 nan 8.360 nan 0.000 0.431 263 N N 0.325 119.069 118.700 0.074 0.000 2.776 263 N HA -0.255 4.485 4.740 0.001 0.000 0.250 263 N C -1.163 174.354 175.510 0.011 0.000 1.112 263 N CA 0.203 53.288 53.050 0.060 0.000 0.733 263 N CB -0.876 37.644 38.487 0.055 0.000 1.097 263 N HN 0.174 nan 8.380 nan 0.000 0.558 264 L N 0.949 122.164 121.223 -0.014 0.000 2.406 264 L HA 0.610 4.950 4.340 0.001 0.000 0.270 264 L C -1.134 175.735 176.870 -0.002 0.000 0.982 264 L CA -0.778 54.035 54.840 -0.044 0.000 0.843 264 L CB 1.928 43.920 42.059 -0.113 0.000 1.225 264 L HN -0.130 nan 8.230 nan 0.000 0.412 265 V N 4.385 124.307 119.914 0.013 0.000 2.525 265 V HA 0.876 4.996 4.120 0.001 0.000 0.299 265 V C -0.047 176.063 176.094 0.026 0.000 1.034 265 V CA -0.421 61.885 62.300 0.010 0.000 0.863 265 V CB 1.558 33.358 31.823 -0.038 0.000 0.999 265 V HN 0.904 nan 8.190 nan 0.000 0.423 266 A N 4.387 127.241 122.820 0.055 0.000 2.317 266 A HA 0.867 5.187 4.320 0.001 0.000 0.327 266 A C -0.680 176.859 177.584 -0.076 0.000 1.178 266 A CA -0.575 51.487 52.037 0.042 0.000 0.817 266 A CB 1.541 20.610 19.000 0.114 0.000 1.189 266 A HN 0.690 nan 8.150 nan 0.000 0.489 267 V N 3.254 123.117 119.914 -0.085 0.000 2.370 267 V HA 0.366 4.486 4.120 0.001 0.000 0.279 267 V C -0.159 175.871 176.094 -0.106 0.000 1.029 267 V CA -0.363 61.862 62.300 -0.125 0.000 0.870 267 V CB 1.161 32.912 31.823 -0.121 0.000 0.984 267 V HN 0.622 nan 8.190 nan 0.000 0.451 268 V N 3.931 123.771 119.914 -0.124 0.000 2.483 268 V HA 0.399 4.520 4.120 0.001 0.000 0.295 268 V C -0.138 175.893 176.094 -0.106 0.000 1.035 268 V CA -0.590 61.643 62.300 -0.113 0.000 0.896 268 V CB 1.989 33.734 31.823 -0.129 0.000 0.986 268 V HN 0.862 nan 8.190 nan 0.000 0.447 269 D N 3.925 124.273 120.400 -0.087 0.000 2.412 269 D HA 0.312 4.953 4.640 0.001 0.000 0.224 269 D C 0.935 177.189 176.300 -0.078 0.000 1.093 269 D CA -0.221 53.731 54.000 -0.080 0.000 0.850 269 D CB 1.496 42.258 40.800 -0.062 0.000 1.046 269 D HN 0.400 nan 8.370 nan 0.000 0.507 270 L N 2.998 124.170 121.223 -0.086 0.000 1.970 270 L HA -0.174 4.166 4.340 0.001 0.000 0.212 270 L C 2.225 179.055 176.870 -0.066 0.000 1.071 270 L CA 1.191 55.984 54.840 -0.079 0.000 0.751 270 L CB -0.290 41.718 42.059 -0.086 0.000 0.889 270 L HN 0.471 nan 8.230 nan 0.000 0.432 271 E N -0.439 119.720 120.200 -0.068 0.000 2.160 271 E HA -0.294 4.057 4.350 0.001 0.000 0.195 271 E C 2.138 178.710 176.600 -0.048 0.000 0.991 271 E CA 1.135 57.498 56.400 -0.061 0.000 0.810 271 E CB -0.043 29.614 29.700 -0.073 0.000 0.742 271 E HN 0.481 nan 8.360 nan 0.000 0.466 272 Q N 0.716 120.487 119.800 -0.048 0.000 2.424 272 Q HA -0.046 4.295 4.340 0.001 0.000 0.204 272 Q C -0.239 175.737 176.000 -0.039 0.000 0.933 272 Q CA 0.185 55.964 55.803 -0.039 0.000 0.929 272 Q CB 0.250 28.965 28.738 -0.038 0.000 1.037 272 Q HN -0.012 nan 8.270 nan 0.000 0.511 273 K N 0.964 121.336 120.400 -0.047 0.000 3.278 273 K HA -0.228 4.093 4.320 0.001 0.000 0.270 273 K C -0.715 175.856 176.600 -0.049 0.000 0.955 273 K CA 0.857 57.115 56.287 -0.048 0.000 0.723 273 K CB -1.095 31.382 32.500 -0.038 0.000 1.382 273 K HN 0.182 nan 8.250 nan 0.000 0.461 274 K N 0.509 120.877 120.400 -0.054 0.000 2.556 274 K HA 0.394 4.715 4.320 0.001 0.000 0.274 274 K C -0.962 175.605 176.600 -0.056 0.000 0.966 274 K CA -0.880 55.377 56.287 -0.049 0.000 0.865 274 K CB 1.412 33.891 32.500 -0.036 0.000 1.444 274 K HN 0.103 nan 8.250 nan 0.000 0.433 275 I N 4.240 124.780 120.570 -0.049 0.000 2.379 275 I HA 0.038 4.208 4.170 0.001 0.000 0.290 275 I C 1.338 177.437 176.117 -0.031 0.000 1.063 275 I CA -0.357 60.916 61.300 -0.045 0.000 1.351 275 I CB 1.265 39.253 38.000 -0.020 0.000 1.410 275 I HN 0.508 nan 8.210 nan 0.000 0.505 276 V N 2.597 122.487 119.914 -0.040 0.000 3.650 276 V HA 0.277 4.397 4.120 0.001 0.000 0.271 276 V C 0.503 176.580 176.094 -0.029 0.000 1.281 276 V CA 0.415 62.695 62.300 -0.034 0.000 1.120 276 V CB -0.579 31.220 31.823 -0.041 0.000 0.856 276 V HN 0.817 nan 8.190 nan 0.000 0.443 277 K N 0.189 120.572 120.400 -0.028 0.000 2.598 277 K HA 0.601 4.922 4.320 0.001 0.000 0.271 277 K C -2.121 174.474 176.600 -0.009 0.000 0.947 277 K CA -0.736 55.537 56.287 -0.023 0.000 0.854 277 K CB 2.463 34.941 32.500 -0.038 0.000 1.401 277 K HN 0.198 nan 8.250 nan 0.000 0.415 278 I N 3.597 124.167 120.570 0.000 0.000 2.476 278 I HA 0.210 4.381 4.170 0.001 0.000 0.281 278 I C -0.668 175.445 176.117 -0.007 0.000 1.040 278 I CA -0.618 60.691 61.300 0.015 0.000 1.094 278 I CB 1.882 39.900 38.000 0.029 0.000 1.219 278 I HN 0.497 nan 8.210 nan 0.000 0.450 279 E N 6.316 126.511 120.200 -0.009 0.000 2.259 279 E HA 0.389 4.740 4.350 0.001 0.000 0.281 279 E C -0.792 175.804 176.600 -0.007 0.000 1.027 279 E CA -0.454 55.944 56.400 -0.004 0.000 0.838 279 E CB 1.544 31.251 29.700 0.011 0.000 1.066 279 E HN 0.495 nan 8.360 nan 0.000 0.401 280 E N 1.305 121.499 120.200 -0.010 0.000 2.248 280 E HA 0.499 4.850 4.350 0.001 0.000 0.267 280 E C -0.350 176.250 176.600 -0.000 0.000 0.877 280 E CA -0.726 55.663 56.400 -0.019 0.000 0.759 280 E CB 2.172 31.848 29.700 -0.041 0.000 1.182 280 E HN 0.565 nan 8.360 nan 0.000 0.418 281 G N 2.048 110.853 108.800 0.008 0.000 3.209 281 G HA2 0.542 4.503 3.960 0.001 0.000 0.236 281 G HA3 0.542 4.503 3.960 0.001 0.000 0.236 281 G C -2.621 172.287 174.900 0.013 0.000 1.329 281 G CA -1.375 43.738 45.100 0.022 0.000 1.015 281 G HN 0.251 nan 8.290 nan 0.000 0.571 282 P HA 0.256 nan 4.420 nan 0.000 0.268 282 P C -0.256 177.053 177.300 0.013 0.000 1.205 282 P CA -0.345 62.764 63.100 0.015 0.000 0.771 282 P CB 0.988 32.702 31.700 0.022 0.000 0.858 283 V N 4.080 123.996 119.914 0.004 0.000 2.555 283 V HA 0.133 4.254 4.120 0.001 0.000 0.286 283 V C 0.331 176.433 176.094 0.014 0.000 1.044 283 V CA 0.154 62.455 62.300 0.002 0.000 1.026 283 V CB 1.003 32.822 31.823 -0.007 0.000 0.981 283 V HN 0.227 nan 8.190 nan 0.000 0.480 284 V N 6.667 126.594 119.914 0.021 0.000 2.525 284 V HA 0.350 4.471 4.120 0.001 0.000 0.299 284 V C -2.364 173.753 176.094 0.039 0.000 1.034 284 V CA -1.888 60.431 62.300 0.033 0.000 0.863 284 V CB 1.811 33.663 31.823 0.047 0.000 0.999 284 V HN 0.766 nan 8.190 nan 0.000 0.423 285 P HA 0.039 nan 4.420 nan 0.000 0.261 285 P C -0.253 177.090 177.300 0.072 0.000 1.183 285 P CA 0.103 63.231 63.100 0.047 0.000 0.761 285 P CB 0.327 32.053 31.700 0.043 0.000 0.785 286 V N 7.226 127.189 119.914 0.082 0.000 2.485 286 V HA 0.036 4.157 4.120 0.001 0.000 0.287 286 V C -1.790 174.403 176.094 0.165 0.000 1.022 286 V CA -1.036 61.339 62.300 0.126 0.000 1.067 286 V CB -0.048 31.851 31.823 0.127 0.000 0.967 286 V HN 0.564 nan 8.190 nan 0.000 0.479 287 P HA 0.115 nan 4.420 nan 0.000 0.261 287 P C 0.555 178.076 177.300 0.370 0.000 1.203 287 P CA 0.208 63.450 63.100 0.237 0.000 0.767 287 P CB 0.440 32.268 31.700 0.214 0.000 0.785 288 M N 0.364 120.132 119.600 0.279 0.000 2.552 288 M HA 0.037 4.518 4.480 0.001 0.000 0.264 288 M C 0.597 177.056 176.300 0.265 0.000 1.159 288 M CA 0.767 56.208 55.300 0.236 0.000 1.176 288 M CB -1.161 31.508 32.600 0.114 0.000 1.327 288 M HN 0.152 nan 8.290 nan 0.000 0.481 289 T N 2.841 117.554 114.554 0.265 0.000 2.867 289 T HA 0.131 4.482 4.350 0.001 0.000 0.290 289 T C 0.411 175.308 174.700 0.328 0.000 1.025 289 T CA -0.014 62.233 62.100 0.244 0.000 1.146 289 T CB 0.096 69.102 68.868 0.231 0.000 1.024 289 T HN 0.375 nan 8.240 nan 0.000 0.519 290 A N 4.623 127.571 122.820 0.214 0.000 2.488 290 A HA 0.364 4.685 4.320 0.001 0.000 0.249 290 A C 0.825 178.512 177.584 0.171 0.000 1.083 290 A CA -0.211 51.944 52.037 0.197 0.000 0.768 290 A CB 0.209 19.265 19.000 0.092 0.000 1.017 290 A HN 0.708 nan 8.150 nan 0.000 0.496 291 R N 2.979 123.578 120.500 0.165 0.000 2.674 291 R HA 0.242 4.583 4.340 0.001 0.000 0.270 291 R C -3.017 173.259 176.300 -0.039 0.000 1.492 291 R CA -1.414 54.714 56.100 0.047 0.000 1.624 291 R CB 0.948 31.274 30.300 0.044 0.000 1.307 291 R HN 0.608 nan 8.270 nan 0.000 0.683 292 P HA 0.044 nan 4.420 nan 0.000 0.271 292 P C 0.106 177.298 177.300 -0.179 0.000 1.218 292 P CA -0.048 62.933 63.100 -0.199 0.000 0.780 292 P CB 0.408 32.008 31.700 -0.167 0.000 0.901 293 F N 0.119 120.000 119.950 -0.114 0.000 2.706 293 F HA 0.242 4.770 4.527 0.001 0.000 0.313 293 F C 0.922 176.668 175.800 -0.091 0.000 1.096 293 F CA -0.439 57.480 58.000 -0.136 0.000 1.219 293 F CB -0.842 38.043 39.000 -0.192 0.000 1.051 293 F HN 0.095 nan 8.300 nan 0.000 0.568 294 D N -0.067 120.171 120.400 -0.271 0.000 2.340 294 D HA 0.218 4.859 4.640 0.001 0.000 0.220 294 D C 1.898 178.168 176.300 -0.050 0.000 1.039 294 D CA 0.567 54.509 54.000 -0.097 0.000 0.866 294 D CB -0.107 40.573 40.800 -0.199 0.000 0.913 294 D HN 0.471 nan 8.370 nan 0.000 0.523 295 G N 1.672 110.441 108.800 -0.051 0.000 2.176 295 G HA2 -0.441 3.520 3.960 0.001 0.000 0.253 295 G HA3 -0.441 3.520 3.960 0.001 0.000 0.253 295 G C 1.236 176.113 174.900 -0.038 0.000 0.979 295 G CA 0.466 45.548 45.100 -0.030 0.000 0.641 295 G HN 0.579 nan 8.290 nan 0.000 0.530 296 R N 0.588 121.051 120.500 -0.062 0.000 2.139 296 R HA -0.116 4.224 4.340 0.001 0.000 0.243 296 R C 1.544 177.824 176.300 -0.034 0.000 1.145 296 R CA 2.093 58.162 56.100 -0.051 0.000 0.976 296 R CB -0.559 29.699 30.300 -0.069 0.000 0.866 296 R HN 0.465 nan 8.270 nan 0.000 0.449 297 D N -0.146 120.235 120.400 -0.032 0.000 2.368 297 D HA 0.069 4.710 4.640 0.001 0.000 0.218 297 D C -0.081 176.214 176.300 -0.010 0.000 1.112 297 D CA -0.229 53.761 54.000 -0.017 0.000 0.834 297 D CB 0.187 40.979 40.800 -0.014 0.000 0.953 297 D HN 0.037 nan 8.370 nan 0.000 0.505 298 R N 0.095 120.588 120.500 -0.011 0.000 2.787 298 R HA 0.557 4.898 4.340 0.001 0.000 0.271 298 R C -0.450 175.849 176.300 -0.002 0.000 0.993 298 R CA -1.015 55.082 56.100 -0.005 0.000 0.993 298 R CB 1.884 32.181 30.300 -0.005 0.000 1.155 298 R HN -0.116 nan 8.270 nan 0.000 0.486 299 V N 1.328 121.243 119.914 0.001 0.000 2.509 299 V HA 0.331 4.452 4.120 0.001 0.000 0.284 299 V C 0.432 176.528 176.094 0.003 0.000 1.047 299 V CA -0.859 61.442 62.300 0.003 0.000 0.952 299 V CB 1.403 33.229 31.823 0.005 0.000 0.988 299 V HN 0.832 nan 8.190 nan 0.000 0.469 300 A N 7.393 130.215 122.820 0.003 0.000 2.415 300 A HA 0.559 4.879 4.320 0.001 0.000 0.309 300 A C -1.314 176.273 177.584 0.005 0.000 1.356 300 A CA -1.077 50.962 52.037 0.004 0.000 0.998 300 A CB -0.544 18.458 19.000 0.003 0.000 1.145 300 A HN 0.758 nan 8.150 nan 0.000 0.545 301 P HA 0.315 nan 4.420 nan 0.000 0.268 301 P C -0.080 177.224 177.300 0.006 0.000 1.204 301 P CA -0.030 63.073 63.100 0.006 0.000 0.768 301 P CB 1.001 32.705 31.700 0.006 0.000 0.842 302 A N 3.018 125.841 122.820 0.006 0.000 2.450 302 A HA 0.456 4.777 4.320 0.001 0.000 0.255 302 A C -0.053 177.535 177.584 0.006 0.000 1.096 302 A CA -0.250 51.791 52.037 0.006 0.000 0.778 302 A CB 0.140 19.143 19.000 0.006 0.000 1.031 302 A HN 0.411 nan 8.150 nan 0.000 0.494 303 V N 3.588 123.506 119.914 0.006 0.000 2.760 303 V HA 0.280 4.401 4.120 0.001 0.000 0.309 303 V C -0.057 176.041 176.094 0.006 0.000 1.077 303 V CA -0.936 61.367 62.300 0.005 0.000 0.910 303 V CB 2.023 33.849 31.823 0.005 0.000 1.008 303 V HN 0.977 nan 8.190 nan 0.000 0.424 304 K N 4.458 124.861 120.400 0.004 0.000 2.237 304 K HA 0.403 4.724 4.320 0.001 0.000 0.270 304 K C -2.135 174.469 176.600 0.007 0.000 1.015 304 K CA -1.183 55.107 56.287 0.005 0.000 0.949 304 K CB 0.581 33.082 32.500 0.001 0.000 0.976 304 K HN 0.532 nan 8.250 nan 0.000 0.472 305 P HA -0.003 nan 4.420 nan 0.000 0.269 305 P C -1.014 176.293 177.300 0.012 0.000 1.209 305 P CA 0.061 63.169 63.100 0.014 0.000 0.776 305 P CB 0.688 32.401 31.700 0.020 0.000 0.876 306 M N 2.139 121.747 119.600 0.013 0.000 2.224 306 M HA 0.247 4.727 4.480 0.001 0.000 0.281 306 M C -1.639 174.672 176.300 0.018 0.000 1.025 306 M CA -0.308 54.998 55.300 0.011 0.000 0.954 306 M CB 2.081 34.683 32.600 0.003 0.000 1.639 306 M HN 0.321 nan 8.290 nan 0.000 0.461 307 Q N 4.967 124.783 119.800 0.026 0.000 2.375 307 Q HA 0.627 4.968 4.340 0.001 0.000 0.271 307 Q C -1.277 174.745 176.000 0.036 0.000 1.074 307 Q CA -0.771 55.057 55.803 0.041 0.000 0.808 307 Q CB 3.261 32.041 28.738 0.071 0.000 1.327 307 Q HN 0.734 nan 8.270 nan 0.000 0.441 308 I N 4.324 124.918 120.570 0.039 0.000 2.330 308 I HA 0.436 4.606 4.170 0.001 0.000 0.289 308 I C -0.159 175.991 176.117 0.056 0.000 1.001 308 I CA -0.660 60.661 61.300 0.036 0.000 1.193 308 I CB 0.585 38.605 38.000 0.034 0.000 1.345 308 I HN 0.516 nan 8.210 nan 0.000 0.461 309 I N 2.403 122.992 120.570 0.032 0.000 2.785 309 I HA 0.614 4.784 4.170 0.001 0.000 0.302 309 I C -0.867 175.202 176.117 -0.080 0.000 1.069 309 I CA -0.646 60.658 61.300 0.008 0.000 1.045 309 I CB 2.402 40.405 38.000 0.006 0.000 1.236 309 I HN 0.501 nan 8.210 nan 0.000 0.429 310 E N 5.043 125.171 120.200 -0.119 0.000 2.873 310 E HA 0.250 4.600 4.350 0.001 0.000 0.232 310 E C -2.104 174.336 176.600 -0.266 0.000 1.123 310 E CA -1.528 54.793 56.400 -0.132 0.000 0.809 310 E CB 1.333 31.016 29.700 -0.029 0.000 1.366 310 E HN 0.548 nan 8.360 nan 0.000 0.400 311 P HA -0.169 nan 4.420 nan 0.000 0.223 311 P C 0.225 177.400 177.300 -0.208 0.000 1.144 311 P CA 1.131 63.782 63.100 -0.748 0.000 0.783 311 P CB 0.404 31.675 31.700 -0.716 0.000 0.771 312 E N -0.513 119.613 120.200 -0.124 0.000 2.624 312 E HA 0.386 4.737 4.350 0.001 0.000 0.210 312 E C 0.706 177.289 176.600 -0.028 0.000 0.997 312 E CA -0.136 56.238 56.400 -0.044 0.000 0.999 312 E CB 0.537 30.211 29.700 -0.044 0.000 1.040 312 E HN 0.196 nan 8.360 nan 0.000 0.469 313 G N 1.540 110.324 108.800 -0.026 0.000 2.655 313 G HA2 -0.170 3.791 3.960 0.001 0.000 0.680 313 G HA3 -0.170 3.791 3.960 0.001 0.000 0.680 313 G C -0.771 174.069 174.900 -0.100 0.000 1.302 313 G CA -0.997 44.081 45.100 -0.038 0.000 0.872 313 G HN -0.059 nan 8.290 nan 0.000 0.540 314 K N -0.134 120.140 120.400 -0.211 0.000 2.098 314 K HA 0.378 4.699 4.320 0.001 0.000 0.244 314 K C 1.130 177.559 176.600 -0.284 0.000 1.014 314 K CA -0.563 55.486 56.287 -0.395 0.000 0.917 314 K CB 0.570 32.426 32.500 -1.074 0.000 1.072 314 K HN 0.543 nan 8.250 nan 0.000 0.477 315 N N -0.443 118.159 118.700 -0.164 0.000 2.336 315 N HA 0.000 4.741 4.740 0.001 0.000 0.189 315 N C -0.595 175.009 175.510 0.156 0.000 1.113 315 N CA 0.080 53.158 53.050 0.046 0.000 0.858 315 N CB 0.056 38.663 38.487 0.200 0.000 0.970 315 N HN 0.450 nan 8.380 nan 0.000 0.471 316 Y N -1.818 118.609 120.300 0.212 0.000 2.567 316 Y HA 0.747 5.298 4.550 0.001 0.000 0.333 316 Y C -0.258 175.650 175.900 0.014 0.000 1.106 316 Y CA -1.175 57.019 58.100 0.156 0.000 1.157 316 Y CB 0.757 39.291 38.460 0.124 0.000 1.277 316 Y HN -0.339 nan 8.280 nan 0.000 0.490 317 T N 3.105 117.773 114.554 0.191 0.000 2.876 317 T HA 0.569 4.920 4.350 0.001 0.000 0.289 317 T C -0.776 173.917 174.700 -0.012 0.000 1.014 317 T CA -0.604 61.528 62.100 0.053 0.000 0.986 317 T CB 1.043 69.962 68.868 0.085 0.000 1.021 317 T HN 0.604 nan 8.240 nan 0.000 0.458 318 I N 2.954 123.430 120.570 -0.156 0.000 2.428 318 I HA 0.260 4.431 4.170 0.001 0.000 0.279 318 I C -0.050 176.038 176.117 -0.048 0.000 1.040 318 I CA -0.593 60.587 61.300 -0.201 0.000 1.171 318 I CB 1.151 38.867 38.000 -0.474 0.000 1.312 318 I HN 0.514 nan 8.210 nan 0.000 0.470 319 T N 5.034 119.578 114.554 -0.017 0.000 2.738 319 T HA 0.495 4.846 4.350 0.001 0.000 0.298 319 T C 0.917 175.640 174.700 0.039 0.000 0.962 319 T CA 0.321 62.445 62.100 0.041 0.000 0.972 319 T CB 1.355 70.248 68.868 0.041 0.000 0.928 319 T HN 0.997 nan 8.240 nan 0.000 0.474 320 G N 4.241 113.088 108.800 0.078 0.000 2.602 320 G HA2 -0.289 3.672 3.960 0.001 0.000 0.310 320 G HA3 -0.289 3.672 3.960 0.001 0.000 0.310 320 G C 0.419 175.311 174.900 -0.013 0.000 1.183 320 G CA 0.443 45.575 45.100 0.053 0.000 0.979 320 G HN 0.651 nan 8.290 nan 0.000 0.545 321 D N 1.139 121.466 120.400 -0.123 0.000 2.398 321 D HA 0.218 4.858 4.640 0.001 0.000 0.210 321 D C 1.084 177.097 176.300 -0.479 0.000 1.094 321 D CA 0.117 53.913 54.000 -0.341 0.000 0.839 321 D CB 0.177 40.630 40.800 -0.579 0.000 0.963 321 D HN 0.320 nan 8.370 nan 0.000 0.506 322 M N 1.221 120.648 119.600 -0.289 0.000 2.188 322 M HA 0.344 4.824 4.480 0.001 0.000 0.357 322 M C -0.053 176.050 176.300 -0.328 0.000 1.204 322 M CA -0.115 55.006 55.300 -0.299 0.000 1.095 322 M CB 2.025 34.569 32.600 -0.093 0.000 1.604 322 M HN -0.295 nan 8.290 nan 0.000 0.464 323 I N 2.205 122.423 120.570 -0.587 0.000 2.404 323 I HA 0.255 4.426 4.170 0.001 0.000 0.293 323 I C -0.582 175.331 176.117 -0.341 0.000 0.992 323 I CA -0.687 60.261 61.300 -0.586 0.000 1.149 323 I CB 1.415 38.785 38.000 -1.050 0.000 1.315 323 I HN 0.615 nan 8.210 nan 0.000 0.446 324 H N 5.721 124.713 119.070 -0.130 0.000 2.505 324 H HA 0.454 5.011 4.556 0.001 0.000 0.338 324 H C -1.950 173.513 175.328 0.226 0.000 1.057 324 H CA -0.667 55.405 56.048 0.040 0.000 1.202 324 H CB 1.256 31.035 29.762 0.028 0.000 1.466 324 H HN 0.582 nan 8.280 nan 0.000 0.499 325 W N 8.600 129.614 121.300 -0.476 0.000 2.957 325 W HA 0.380 5.040 4.660 0.001 0.000 0.327 325 W C -0.479 175.905 176.519 -0.225 0.000 1.039 325 W CA -0.565 56.622 57.345 -0.263 0.000 1.257 325 W CB 0.479 29.937 29.460 -0.004 0.000 1.238 325 W HN 0.996 nan 8.180 nan 0.000 0.406 326 R N 2.423 122.449 120.500 -0.790 0.000 3.869 326 R HA -0.396 3.945 4.340 0.001 0.000 0.424 326 R C 0.768 176.787 176.300 -0.469 0.000 0.241 326 R CA 2.182 57.875 56.100 -0.678 0.000 1.351 326 R CB -1.162 28.551 30.300 -0.979 0.000 0.979 326 R HN 0.710 nan 8.270 nan 0.000 0.572 327 N N -0.337 118.026 118.700 -0.562 0.000 2.412 327 N HA 0.025 4.766 4.740 0.001 0.000 0.184 327 N C -0.147 174.992 175.510 -0.617 0.000 1.101 327 N CA 0.082 52.700 53.050 -0.719 0.000 0.881 327 N CB 0.072 37.708 38.487 -1.420 0.000 0.969 327 N HN 0.179 nan 8.380 nan 0.000 0.459 328 W N 1.368 122.580 121.300 -0.148 0.000 2.381 328 W HA 0.349 5.009 4.660 0.001 0.000 0.329 328 W C -0.134 176.502 176.519 0.195 0.000 1.157 328 W CA -0.517 56.902 57.345 0.124 0.000 1.240 328 W CB 0.900 30.542 29.460 0.304 0.000 1.199 328 W HN -0.183 nan 8.180 nan 0.000 0.579 329 D N 2.297 123.056 120.400 0.599 0.000 2.970 329 D HA 0.379 5.020 4.640 0.001 0.000 0.230 329 D C -1.149 175.448 176.300 0.496 0.000 1.276 329 D CA -0.301 53.950 54.000 0.419 0.000 0.910 329 D CB 2.084 43.090 40.800 0.343 0.000 1.590 329 D HN 0.247 nan 8.370 nan 0.000 0.551 330 F N -0.860 119.147 119.950 0.096 0.000 2.741 330 F HA 0.410 4.938 4.527 0.001 0.000 0.311 330 F C -1.571 174.196 175.800 -0.055 0.000 1.149 330 F CA -0.980 57.037 58.000 0.028 0.000 0.930 330 F CB 1.581 40.551 39.000 -0.049 0.000 1.312 330 F HN 0.177 nan 8.300 nan 0.000 0.450 331 H N 2.144 121.170 119.070 -0.074 0.000 2.469 331 H HA 0.709 5.265 4.556 0.001 0.000 0.342 331 H C -1.988 173.246 175.328 -0.156 0.000 1.115 331 H CA -0.754 55.118 56.048 -0.294 0.000 1.204 331 H CB 2.139 31.580 29.762 -0.534 0.000 1.492 331 H HN 0.823 nan 8.280 nan 0.000 0.499 332 L N 4.750 125.641 121.223 -0.553 0.000 2.343 332 L HA 0.341 4.681 4.340 0.001 0.000 0.278 332 L C -0.831 175.802 176.870 -0.395 0.000 0.996 332 L CA -0.196 54.456 54.840 -0.314 0.000 0.831 332 L CB 1.293 43.227 42.059 -0.208 0.000 1.232 332 L HN 0.720 nan 8.230 nan 0.000 0.413 333 S N 3.995 119.562 115.700 -0.223 0.000 2.704 333 S HA 0.876 5.347 4.470 0.001 0.000 0.296 333 S C -0.712 173.781 174.600 -0.179 0.000 1.138 333 S CA -0.902 57.205 58.200 -0.155 0.000 0.875 333 S CB 1.776 64.974 63.200 -0.004 0.000 1.151 333 S HN 0.630 nan 8.310 nan 0.000 0.500 334 M N 2.610 122.122 119.600 -0.146 0.000 2.321 334 M HA 0.494 4.975 4.480 0.001 0.000 0.315 334 M C -1.286 174.934 176.300 -0.135 0.000 1.052 334 M CA -0.415 54.777 55.300 -0.180 0.000 0.936 334 M CB 1.738 34.255 32.600 -0.138 0.000 1.639 334 M HN 0.857 nan 8.290 nan 0.000 0.433 335 N N 1.681 120.282 118.700 -0.165 0.000 2.321 335 N HA 0.290 5.031 4.740 0.001 0.000 0.299 335 N C 0.199 175.672 175.510 -0.062 0.000 1.048 335 N CA 0.193 53.188 53.050 -0.092 0.000 0.836 335 N CB 1.766 40.205 38.487 -0.080 0.000 1.269 335 N HN 0.885 nan 8.380 nan 0.000 0.486 336 S N 3.253 118.952 115.700 -0.002 0.000 2.423 336 S HA -0.122 4.349 4.470 0.001 0.000 0.231 336 S C 1.692 176.331 174.600 0.065 0.000 1.014 336 S CA 0.693 58.920 58.200 0.044 0.000 0.965 336 S CB 0.052 63.288 63.200 0.061 0.000 0.785 336 S HN 0.731 nan 8.310 nan 0.000 0.495 337 R N 0.911 121.432 120.500 0.034 0.000 2.051 337 R HA 0.097 4.437 4.340 0.001 0.000 0.218 337 R C 2.208 178.536 176.300 0.046 0.000 1.188 337 R CA 1.419 57.533 56.100 0.024 0.000 0.992 337 R CB -0.234 30.029 30.300 -0.061 0.000 0.883 337 R HN 0.437 nan 8.270 nan 0.000 0.444 338 V N -1.639 118.285 119.914 0.017 0.000 3.608 338 V HA 0.413 4.534 4.120 0.001 0.000 0.269 338 V C 0.928 176.869 176.094 -0.256 0.000 1.245 338 V CA 0.551 62.843 62.300 -0.012 0.000 1.138 338 V CB -0.209 31.646 31.823 0.053 0.000 0.841 338 V HN 0.693 nan 8.190 nan 0.000 0.451 339 G N 1.251 109.826 108.800 -0.374 0.000 2.496 339 G HA2 -0.177 3.783 3.960 0.001 0.000 0.243 339 G HA3 -0.177 3.783 3.960 0.001 0.000 0.243 339 G C -2.551 171.888 174.900 -0.769 0.000 1.176 339 G CA -0.192 44.349 45.100 -0.932 0.000 0.940 339 G HN 0.627 nan 8.290 nan 0.000 0.573 340 P HA 0.333 nan 4.420 nan 0.000 0.268 340 P C -0.490 176.504 177.300 -0.510 0.000 1.204 340 P CA 0.616 63.353 63.100 -0.605 0.000 0.768 340 P CB 0.451 31.830 31.700 -0.536 0.000 0.842 341 M N 3.906 123.257 119.600 -0.415 0.000 2.197 341 M HA 0.368 4.849 4.480 0.001 0.000 0.301 341 M C -0.283 175.792 176.300 -0.375 0.000 0.987 341 M CA -0.859 54.204 55.300 -0.395 0.000 0.921 341 M CB 1.930 34.367 32.600 -0.272 0.000 1.569 341 M HN 0.127 nan 8.290 nan 0.000 0.431 342 I N 2.729 122.996 120.570 -0.506 0.000 2.312 342 I HA 0.383 4.554 4.170 0.001 0.000 0.291 342 I C 0.026 175.989 176.117 -0.258 0.000 1.031 342 I CA 0.089 61.177 61.300 -0.353 0.000 1.293 342 I CB 0.650 38.318 38.000 -0.553 0.000 1.403 342 I HN 0.623 nan 8.210 nan 0.000 0.484 343 S N 3.126 118.747 115.700 -0.131 0.000 2.634 343 S HA 0.482 4.953 4.470 0.001 0.000 0.296 343 S C 0.069 174.570 174.600 -0.166 0.000 1.104 343 S CA -0.633 57.401 58.200 -0.277 0.000 0.920 343 S CB 1.835 64.806 63.200 -0.382 0.000 1.111 343 S HN 0.806 nan 8.310 nan 0.000 0.493 344 T N -1.481 112.827 114.554 -0.409 0.000 3.361 344 T HA -0.155 4.196 4.350 0.001 0.000 0.417 344 T C -0.122 174.735 174.700 0.261 0.000 0.769 344 T CA -0.002 61.921 62.100 -0.295 0.000 2.085 344 T CB -2.430 66.356 68.868 -0.137 0.000 1.689 344 T HN 0.450 nan 8.240 nan 0.000 0.639 345 V N 2.979 123.103 119.914 0.349 0.000 2.408 345 V HA 0.603 4.723 4.120 0.001 0.000 0.267 345 V C 1.196 177.670 176.094 0.632 0.000 1.047 345 V CA 0.184 62.785 62.300 0.503 0.000 0.937 345 V CB 0.849 32.903 31.823 0.385 0.000 0.999 345 V HN 1.021 nan 8.190 nan 0.000 0.472 346 T N 2.111 117.042 114.554 0.629 0.000 2.930 346 T HA 0.671 5.022 4.350 0.001 0.000 0.290 346 T C -1.157 173.836 174.700 0.488 0.000 1.052 346 T CA -0.783 61.627 62.100 0.517 0.000 1.017 346 T CB 2.026 71.134 68.868 0.400 0.000 1.137 346 T HN 0.404 nan 8.240 nan 0.000 0.511 347 Y N 1.801 122.220 120.300 0.198 0.000 2.326 347 Y HA 0.506 5.057 4.550 0.001 0.000 0.329 347 Y C -0.334 175.614 175.900 0.080 0.000 0.973 347 Y CA -1.361 56.726 58.100 -0.022 0.000 1.162 347 Y CB 1.368 39.731 38.460 -0.162 0.000 1.147 347 Y HN 0.865 nan 8.280 nan 0.000 0.456 348 N N 4.587 123.241 118.700 -0.076 0.000 2.400 348 N HA 0.008 4.749 4.740 0.001 0.000 0.267 348 N C -1.189 174.418 175.510 0.162 0.000 1.208 348 N CA 0.301 53.375 53.050 0.040 0.000 0.951 348 N CB 0.230 38.694 38.487 -0.039 0.000 1.227 348 N HN 0.566 nan 8.380 nan 0.000 0.488 349 D N 3.502 124.083 120.400 0.302 0.000 2.428 349 D HA 0.132 4.773 4.640 0.001 0.000 0.221 349 D C -0.419 175.972 176.300 0.153 0.000 1.123 349 D CA -0.084 54.112 54.000 0.327 0.000 0.869 349 D CB -0.653 40.356 40.800 0.348 0.000 1.032 349 D HN 0.702 nan 8.370 nan 0.000 0.506 350 N N 3.045 121.805 118.700 0.100 0.000 2.698 350 N HA -0.288 4.452 4.740 0.001 0.000 0.258 350 N C 0.930 176.462 175.510 0.036 0.000 0.978 350 N CA 0.425 53.503 53.050 0.047 0.000 0.777 350 N CB -0.557 37.954 38.487 0.041 0.000 0.907 350 N HN 0.740 nan 8.380 nan 0.000 0.543 351 G N -1.833 106.987 108.800 0.034 0.000 2.313 351 G HA2 -0.277 3.684 3.960 0.001 0.000 0.215 351 G HA3 -0.277 3.684 3.960 0.001 0.000 0.215 351 G C 0.140 175.059 174.900 0.032 0.000 1.023 351 G CA 0.243 45.357 45.100 0.023 0.000 0.626 351 G HN 0.383 nan 8.290 nan 0.000 0.503 352 T N 2.779 117.362 114.554 0.050 0.000 2.749 352 T HA 0.525 4.876 4.350 0.001 0.000 0.287 352 T C 0.048 174.799 174.700 0.085 0.000 0.970 352 T CA -0.327 61.802 62.100 0.049 0.000 0.980 352 T CB 1.582 70.468 68.868 0.031 0.000 0.924 352 T HN 0.307 nan 8.240 nan 0.000 0.456 353 K N 3.892 124.338 120.400 0.077 0.000 2.349 353 K HA 0.253 4.574 4.320 0.001 0.000 0.289 353 K C 0.234 176.897 176.600 0.106 0.000 1.064 353 K CA -0.150 56.207 56.287 0.118 0.000 0.947 353 K CB 0.788 33.358 32.500 0.117 0.000 1.007 353 K HN 0.388 nan 8.250 nan 0.000 0.478 354 R N 2.742 123.350 120.500 0.181 0.000 2.460 354 R HA 0.209 4.550 4.340 0.001 0.000 0.303 354 R C -0.307 176.116 176.300 0.205 0.000 0.968 354 R CA -0.799 55.397 56.100 0.159 0.000 0.889 354 R CB 1.456 31.883 30.300 0.210 0.000 1.123 354 R HN 0.348 nan 8.270 nan 0.000 0.455 355 K N 1.142 121.567 120.400 0.042 0.000 2.436 355 K HA 0.051 4.372 4.320 0.001 0.000 0.275 355 K C 0.262 176.986 176.600 0.206 0.000 0.999 355 K CA -0.117 56.174 56.287 0.007 0.000 0.980 355 K CB 0.950 33.246 32.500 -0.341 0.000 0.919 355 K HN 0.314 nan 8.250 nan 0.000 0.484 356 V N 1.811 121.879 119.914 0.256 0.000 3.161 356 V HA 0.156 4.277 4.120 0.001 0.000 0.221 356 V C -0.162 175.973 176.094 0.067 0.000 1.296 356 V CA 0.017 62.348 62.300 0.052 0.000 1.306 356 V CB 0.480 32.351 31.823 0.080 0.000 1.171 356 V HN 0.753 nan 8.190 nan 0.000 0.513 357 M N -1.135 118.609 119.600 0.239 0.000 2.271 357 M HA 0.363 4.844 4.480 0.001 0.000 0.285 357 M C -0.219 176.237 176.300 0.260 0.000 1.059 357 M CA -0.586 54.822 55.300 0.181 0.000 0.940 357 M CB 2.294 34.913 32.600 0.032 0.000 1.636 357 M HN 0.310 nan 8.290 nan 0.000 0.460 358 Y N 3.239 123.603 120.300 0.107 0.000 2.314 358 Y HA 0.295 4.846 4.550 0.001 0.000 0.294 358 Y C -0.114 175.615 175.900 -0.284 0.000 1.119 358 Y CA 1.389 59.355 58.100 -0.224 0.000 1.179 358 Y CB 0.584 38.902 38.460 -0.237 0.000 1.025 358 Y HN 0.718 nan 8.280 nan 0.000 0.541 359 E N -0.496 119.490 120.200 -0.355 0.000 2.343 359 E HA 0.483 4.833 4.350 0.001 0.000 0.286 359 E C -1.410 175.041 176.600 -0.250 0.000 0.915 359 E CA -0.344 55.796 56.400 -0.433 0.000 0.784 359 E CB 1.295 30.699 29.700 -0.493 0.000 1.251 359 E HN 0.301 nan 8.360 nan 0.000 0.407 360 G N 1.542 110.170 108.800 -0.286 0.000 2.638 360 G HA2 0.690 4.650 3.960 0.001 0.000 0.302 360 G HA3 0.690 4.650 3.960 0.001 0.000 0.302 360 G C -1.073 173.608 174.900 -0.364 0.000 1.365 360 G CA -0.060 44.907 45.100 -0.223 0.000 0.987 360 G HN 0.650 nan 8.290 nan 0.000 0.495 361 S N 0.408 116.059 115.700 -0.081 0.000 2.643 361 S HA 0.557 5.027 4.470 0.001 0.000 0.266 361 S C -1.309 173.504 174.600 0.355 0.000 1.130 361 S CA -0.819 57.358 58.200 -0.038 0.000 0.817 361 S CB 0.959 64.055 63.200 -0.174 0.000 1.107 361 S HN 1.585 nan 8.310 nan 0.000 0.471 362 L N 2.094 123.516 121.223 0.333 0.000 2.453 362 L HA 0.629 4.970 4.340 0.001 0.000 0.272 362 L C 1.247 178.185 176.870 0.113 0.000 1.182 362 L CA 1.369 56.359 54.840 0.250 0.000 0.858 362 L CB 0.353 42.419 42.059 0.013 0.000 1.120 362 L HN 1.022 nan 8.230 nan 0.000 0.474 363 G N 2.889 111.729 108.800 0.067 0.000 2.471 363 G HA2 0.476 4.437 3.960 0.001 0.000 0.211 363 G HA3 0.476 4.437 3.960 0.001 0.000 0.211 363 G C 0.367 175.344 174.900 0.129 0.000 1.194 363 G CA 0.499 45.674 45.100 0.126 0.000 0.816 363 G HN 1.120 nan 8.290 nan 0.000 0.545 364 G N -1.132 107.664 108.800 -0.006 0.000 2.451 364 G HA2 0.566 4.527 3.960 0.001 0.000 0.292 364 G HA3 0.566 4.527 3.960 0.001 0.000 0.292 364 G C -1.101 173.794 174.900 -0.008 0.000 1.427 364 G CA -0.344 44.734 45.100 -0.037 0.000 0.792 364 G HN 0.799 nan 8.290 nan 0.000 0.498 365 M N -0.639 118.997 119.600 0.061 0.000 2.569 365 M HA 0.874 5.355 4.480 0.001 0.000 0.279 365 M C -1.753 174.631 176.300 0.140 0.000 1.253 365 M CA -1.064 54.291 55.300 0.092 0.000 0.867 365 M CB 2.763 35.347 32.600 -0.025 0.000 1.727 365 M HN 0.695 nan 8.290 nan 0.000 0.467 366 I N 1.593 122.218 120.570 0.092 0.000 2.722 366 I HA 0.661 4.832 4.170 0.001 0.000 0.295 366 I C -1.790 174.338 176.117 0.018 0.000 1.161 366 I CA -0.977 60.386 61.300 0.105 0.000 1.032 366 I CB 2.546 40.627 38.000 0.135 0.000 1.244 366 I HN 0.666 nan 8.210 nan 0.000 0.421 367 V N 8.325 128.294 119.914 0.091 0.000 2.315 367 V HA 0.372 4.493 4.120 0.001 0.000 0.265 367 V C -2.372 173.755 176.094 0.054 0.000 1.019 367 V CA -1.116 61.212 62.300 0.045 0.000 0.824 367 V CB 1.029 32.973 31.823 0.202 0.000 1.072 367 V HN 0.543 nan 8.190 nan 0.000 0.448 368 P HA 0.402 nan 4.420 nan 0.000 0.290 368 P C -1.316 176.057 177.300 0.122 0.000 1.276 368 P CA -0.326 62.896 63.100 0.203 0.000 0.808 368 P CB 1.578 33.532 31.700 0.424 0.000 0.966 369 Y N 0.537 120.915 120.300 0.131 0.000 2.458 369 Y HA 0.521 5.072 4.550 0.001 0.000 0.322 369 Y C 1.837 177.774 175.900 0.061 0.000 1.259 369 Y CA 0.179 58.341 58.100 0.103 0.000 1.302 369 Y CB 1.047 39.581 38.460 0.123 0.000 1.314 369 Y HN 0.484 nan 8.280 nan 0.000 0.509 370 G N -0.172 108.687 108.800 0.097 0.000 3.651 370 G HA2 0.026 3.986 3.960 0.001 0.000 0.279 370 G HA3 0.026 3.986 3.960 0.001 0.000 0.279 370 G C -0.731 174.089 174.900 -0.133 0.000 1.024 370 G CA -0.108 44.963 45.100 -0.049 0.000 0.813 370 G HN 0.485 nan 8.290 nan 0.000 0.518 371 D N 1.198 121.526 120.400 -0.121 0.000 2.232 371 D HA 0.239 4.880 4.640 0.001 0.000 0.242 371 D C -1.388 174.770 176.300 -0.236 0.000 1.093 371 D CA -1.844 51.898 54.000 -0.430 0.000 0.845 371 D CB 2.917 43.476 40.800 -0.401 0.000 1.124 371 D HN 0.019 nan 8.370 nan 0.000 0.467 372 P HA -0.000 nan 4.420 nan 0.000 0.236 372 P C -0.141 177.186 177.300 0.043 0.000 1.177 372 P CA 0.051 63.077 63.100 -0.123 0.000 0.773 372 P CB 0.629 32.207 31.700 -0.203 0.000 0.878 373 D N 0.646 121.085 120.400 0.066 0.000 2.361 373 D HA -0.004 4.637 4.640 0.001 0.000 0.239 373 D C 2.005 178.542 176.300 0.396 0.000 1.200 373 D CA -0.176 53.945 54.000 0.202 0.000 0.915 373 D CB 0.810 41.728 40.800 0.197 0.000 1.170 373 D HN 0.076 nan 8.370 nan 0.000 0.444 374 I N -1.887 118.896 120.570 0.354 0.000 2.236 374 I HA -0.164 4.007 4.170 0.001 0.000 0.249 374 I C 1.598 177.918 176.117 0.338 0.000 1.102 374 I CA 1.796 63.347 61.300 0.418 0.000 1.365 374 I CB -0.527 37.615 38.000 0.237 0.000 1.051 374 I HN 0.285 nan 8.210 nan 0.000 0.420 375 G N -0.984 107.959 108.800 0.238 0.000 3.088 375 G HA2 0.115 4.075 3.960 0.001 0.000 0.212 375 G HA3 0.115 4.075 3.960 0.001 0.000 0.212 375 G C 0.523 175.040 174.900 -0.638 0.000 1.173 375 G CA -0.110 44.953 45.100 -0.063 0.000 0.779 375 G HN 0.649 nan 8.290 nan 0.000 0.540 376 W N -1.743 119.427 121.300 -0.217 0.000 2.926 376 W HA 0.181 4.842 4.660 0.002 0.000 0.221 376 W C 1.929 178.169 176.519 -0.465 0.000 1.030 376 W CA -0.341 56.733 57.345 -0.452 0.000 1.330 376 W CB -0.417 28.905 29.460 -0.231 0.000 0.787 376 W HN 0.185 nan 8.180 nan 0.000 0.736 377 Y N 1.115 121.417 120.300 0.004 0.000 2.283 377 Y HA -0.286 4.265 4.550 0.001 0.000 0.285 377 Y C 1.708 177.679 175.900 0.118 0.000 1.176 377 Y CA 1.651 59.781 58.100 0.049 0.000 1.229 377 Y CB -1.747 36.728 38.460 0.026 0.000 0.975 377 Y HN 0.073 nan 8.280 nan 0.000 0.537 378 F N 0.224 119.956 119.950 -0.363 0.000 2.714 378 F HA 0.357 4.885 4.527 0.001 0.000 0.294 378 F C 1.009 176.792 175.800 -0.028 0.000 1.120 378 F CA -1.111 56.858 58.000 -0.052 0.000 1.398 378 F CB -0.607 38.205 39.000 -0.314 0.000 1.120 378 F HN -0.181 nan 8.300 nan 0.000 0.589 379 K N 2.292 122.085 120.400 -1.011 0.000 2.315 379 K HA 0.403 4.724 4.320 0.001 0.000 0.281 379 K C -0.764 175.579 176.600 -0.427 0.000 1.086 379 K CA 0.420 56.200 56.287 -0.843 0.000 1.042 379 K CB -0.361 31.520 32.500 -1.032 0.000 0.949 379 K HN 0.401 nan 8.250 nan 0.000 0.450 380 A N 5.717 128.272 122.820 -0.442 0.000 2.741 380 A HA 0.246 4.567 4.320 0.001 0.000 0.298 380 A C -1.750 175.771 177.584 -0.105 0.000 1.153 380 A CA -0.767 51.154 52.037 -0.192 0.000 0.816 380 A CB 0.259 19.242 19.000 -0.027 0.000 1.396 380 A HN 0.572 nan 8.150 nan 0.000 0.407 381 Y N 1.410 121.832 120.300 0.203 0.000 2.359 381 Y HA 0.472 5.023 4.550 0.001 0.000 0.334 381 Y C 0.208 176.223 175.900 0.193 0.000 1.058 381 Y CA -0.980 57.247 58.100 0.212 0.000 1.244 381 Y CB 0.766 39.334 38.460 0.181 0.000 1.187 381 Y HN 0.432 nan 8.280 nan 0.000 0.510 382 L N 4.393 125.849 121.223 0.388 0.000 2.603 382 L HA 0.273 4.614 4.340 0.001 0.000 0.242 382 L C 0.929 177.989 176.870 0.316 0.000 1.169 382 L CA -0.180 54.820 54.840 0.267 0.000 1.029 382 L CB 0.012 42.179 42.059 0.180 0.000 1.361 382 L HN 0.625 nan 8.230 nan 0.000 0.439 383 D N 0.363 120.947 120.400 0.307 0.000 2.192 383 D HA -0.280 4.361 4.640 0.001 0.000 0.189 383 D C 1.952 178.434 176.300 0.303 0.000 1.007 383 D CA 2.223 56.407 54.000 0.306 0.000 0.859 383 D CB 0.152 41.084 40.800 0.218 0.000 0.936 383 D HN 0.596 nan 8.370 nan 0.000 0.447 384 S N 0.252 116.072 115.700 0.200 0.000 2.357 384 S HA -0.039 4.432 4.470 0.001 0.000 0.221 384 S C 2.293 176.927 174.600 0.057 0.000 1.031 384 S CA 1.327 59.616 58.200 0.147 0.000 0.982 384 S CB -0.891 62.371 63.200 0.104 0.000 0.853 384 S HN 0.296 nan 8.310 nan 0.000 0.458 385 G N 1.794 110.597 108.800 0.003 0.000 2.433 385 G HA2 -0.146 3.815 3.960 0.001 0.000 0.216 385 G HA3 -0.146 3.815 3.960 0.001 0.000 0.216 385 G C 1.087 175.960 174.900 -0.046 0.000 1.186 385 G CA 1.106 46.146 45.100 -0.101 0.000 0.779 385 G HN 0.532 nan 8.290 nan 0.000 0.543 386 D N -1.292 119.132 120.400 0.040 0.000 2.354 386 D HA 0.110 4.751 4.640 0.001 0.000 0.209 386 D C 1.170 177.285 176.300 -0.308 0.000 1.015 386 D CA 0.450 54.384 54.000 -0.109 0.000 0.867 386 D CB 0.251 40.981 40.800 -0.117 0.000 0.933 386 D HN 0.479 nan 8.370 nan 0.000 0.520 387 Y N -0.327 120.033 120.300 0.100 0.000 2.452 387 Y HA 0.325 4.876 4.550 0.001 0.000 0.262 387 Y C 1.118 177.093 175.900 0.125 0.000 1.089 387 Y CA 0.045 58.229 58.100 0.140 0.000 1.262 387 Y CB 0.938 39.503 38.460 0.176 0.000 1.236 387 Y HN -0.104 nan 8.280 nan 0.000 0.512 388 G N 1.537 110.473 108.800 0.226 0.000 2.788 388 G HA2 -0.245 3.716 3.960 0.001 0.000 0.249 388 G HA3 -0.245 3.716 3.960 0.001 0.000 0.249 388 G C 0.404 175.448 174.900 0.239 0.000 1.008 388 G CA 0.223 45.430 45.100 0.178 0.000 1.220 388 G HN 0.256 nan 8.290 nan 0.000 0.506 389 M N 1.105 120.875 119.600 0.284 0.000 2.229 389 M HA 0.020 4.501 4.480 0.001 0.000 0.264 389 M C 2.757 179.381 176.300 0.541 0.000 1.063 389 M CA 2.064 57.599 55.300 0.392 0.000 1.114 389 M CB -0.147 32.744 32.600 0.484 0.000 1.387 389 M HN 0.640 nan 8.290 nan 0.000 0.420 390 G N 0.090 109.140 108.800 0.418 0.000 2.421 390 G HA2 -0.198 3.763 3.960 0.001 0.000 0.216 390 G HA3 -0.198 3.763 3.960 0.001 0.000 0.216 390 G C 1.468 176.535 174.900 0.279 0.000 1.171 390 G CA 1.524 46.818 45.100 0.324 0.000 0.775 390 G HN 0.363 nan 8.290 nan 0.000 0.543 391 T N 1.214 115.891 114.554 0.206 0.000 2.788 391 T HA -0.004 4.347 4.350 0.001 0.000 0.268 391 T C 1.953 176.748 174.700 0.159 0.000 1.044 391 T CA 0.635 62.832 62.100 0.162 0.000 1.139 391 T CB -0.135 68.819 68.868 0.143 0.000 0.867 391 T HN 0.129 nan 8.240 nan 0.000 0.454 392 L N 1.608 122.941 121.223 0.183 0.000 2.688 392 L HA 0.158 4.498 4.340 0.001 0.000 0.234 392 L C 0.530 177.477 176.870 0.128 0.000 1.192 392 L CA -0.280 54.639 54.840 0.132 0.000 0.984 392 L CB -0.648 41.484 42.059 0.122 0.000 1.232 392 L HN 0.087 nan 8.230 nan 0.000 0.465 393 T N 0.270 114.952 114.554 0.213 0.000 2.933 393 T HA -0.012 4.339 4.350 0.001 0.000 0.306 393 T C 0.651 175.404 174.700 0.088 0.000 1.045 393 T CA 0.392 62.620 62.100 0.213 0.000 1.143 393 T CB 0.562 69.687 68.868 0.428 0.000 1.003 393 T HN 0.147 nan 8.240 nan 0.000 0.540 394 S N 5.410 121.111 115.700 0.002 0.000 2.422 394 S HA 0.336 4.807 4.470 0.001 0.000 0.308 394 S C -2.217 172.398 174.600 0.025 0.000 1.097 394 S CA -1.201 56.998 58.200 -0.002 0.000 1.099 394 S CB 0.964 64.133 63.200 -0.052 0.000 0.976 394 S HN 0.461 nan 8.310 nan 0.000 0.471 395 P HA 0.012 nan 4.420 nan 0.000 0.261 395 P C -0.316 177.004 177.300 0.034 0.000 1.173 395 P CA -0.019 63.109 63.100 0.046 0.000 0.760 395 P CB 0.215 31.934 31.700 0.031 0.000 0.783 396 I N 2.540 123.141 120.570 0.052 0.000 2.618 396 I HA 0.021 4.191 4.170 0.001 0.000 0.284 396 I C 0.973 177.101 176.117 0.019 0.000 1.146 396 I CA -0.154 61.173 61.300 0.044 0.000 1.425 396 I CB -0.171 37.873 38.000 0.074 0.000 1.383 396 I HN 0.357 nan 8.210 nan 0.000 0.562 397 A N 7.911 130.735 122.820 0.007 0.000 2.437 397 A HA 0.198 4.519 4.320 0.001 0.000 0.303 397 A C 0.796 178.375 177.584 -0.009 0.000 1.324 397 A CA -0.508 51.527 52.037 -0.003 0.000 0.983 397 A CB -0.178 18.818 19.000 -0.007 0.000 1.142 397 A HN 0.757 nan 8.150 nan 0.000 0.541 398 R N 1.976 122.469 120.500 -0.011 0.000 2.485 398 R HA 0.158 4.498 4.340 0.001 0.000 0.304 398 R C 1.471 177.759 176.300 -0.020 0.000 0.934 398 R CA 1.754 57.845 56.100 -0.015 0.000 1.102 398 R CB -0.100 30.188 30.300 -0.021 0.000 0.906 398 R HN 1.537 nan 8.270 nan 0.000 0.407 399 G N 3.285 112.065 108.800 -0.033 0.000 2.253 399 G HA2 -0.343 3.618 3.960 0.001 0.000 0.251 399 G HA3 -0.343 3.618 3.960 0.001 0.000 0.251 399 G C 0.739 175.614 174.900 -0.043 0.000 0.998 399 G CA 0.664 45.742 45.100 -0.037 0.000 0.621 399 G HN 0.632 nan 8.290 nan 0.000 0.524 400 K N -0.673 119.705 120.400 -0.035 0.000 2.312 400 K HA 0.164 4.485 4.320 0.001 0.000 0.206 400 K C 1.350 177.932 176.600 -0.029 0.000 1.121 400 K CA 0.453 56.723 56.287 -0.029 0.000 0.923 400 K CB 0.102 32.592 32.500 -0.016 0.000 1.162 400 K HN 0.107 nan 8.250 nan 0.000 0.478 401 D N 0.839 121.225 120.400 -0.023 0.000 2.317 401 D HA 0.038 4.679 4.640 0.001 0.000 0.211 401 D C 0.084 176.376 176.300 -0.014 0.000 0.966 401 D CA 0.550 54.548 54.000 -0.004 0.000 0.876 401 D CB 0.487 41.291 40.800 0.008 0.000 0.927 401 D HN 0.174 nan 8.370 nan 0.000 0.519 402 A N 0.620 123.386 122.820 -0.089 0.000 2.572 402 A HA 0.536 4.857 4.320 0.001 0.000 0.295 402 A C -2.686 174.705 177.584 -0.323 0.000 1.072 402 A CA -1.325 50.554 52.037 -0.263 0.000 0.691 402 A CB 1.691 20.582 19.000 -0.182 0.000 1.291 402 A HN -0.232 nan 8.150 nan 0.000 0.404 403 P HA 0.023 nan 4.420 nan 0.000 0.268 403 P C 0.992 178.177 177.300 -0.193 0.000 1.208 403 P CA 0.621 63.518 63.100 -0.339 0.000 0.777 403 P CB 0.754 32.202 31.700 -0.421 0.000 0.875 404 S N 0.914 116.564 115.700 -0.084 0.000 2.440 404 S HA -0.182 4.288 4.470 0.001 0.000 0.238 404 S C 1.223 175.841 174.600 0.030 0.000 1.010 404 S CA 1.099 59.291 58.200 -0.013 0.000 0.972 404 S CB -1.093 62.118 63.200 0.019 0.000 0.774 404 S HN 0.658 nan 8.310 nan 0.000 0.501 405 N N 2.013 120.729 118.700 0.028 0.000 2.313 405 N HA 0.299 5.040 4.740 0.001 0.000 0.207 405 N C 0.168 175.769 175.510 0.152 0.000 1.141 405 N CA 0.293 53.403 53.050 0.100 0.000 0.830 405 N CB -0.144 38.410 38.487 0.110 0.000 1.008 405 N HN 0.513 nan 8.380 nan 0.000 0.481 406 A N 0.258 123.139 122.820 0.102 0.000 2.287 406 A HA 0.563 4.884 4.320 0.001 0.000 0.273 406 A C -0.224 177.484 177.584 0.206 0.000 1.091 406 A CA -0.489 51.662 52.037 0.189 0.000 0.817 406 A CB 0.977 20.024 19.000 0.078 0.000 1.069 406 A HN 0.069 nan 8.150 nan 0.000 0.492 407 V N 1.840 121.906 119.914 0.253 0.000 2.417 407 V HA 0.355 4.475 4.120 0.001 0.000 0.291 407 V C -0.383 175.838 176.094 0.212 0.000 1.024 407 V CA -0.270 62.181 62.300 0.252 0.000 0.861 407 V CB 1.267 33.279 31.823 0.315 0.000 0.985 407 V HN 0.681 nan 8.190 nan 0.000 0.436 408 L N 6.115 127.445 121.223 0.179 0.000 2.287 408 L HA 0.579 4.919 4.340 0.001 0.000 0.287 408 L C -0.563 176.391 176.870 0.141 0.000 1.022 408 L CA -0.410 54.513 54.840 0.138 0.000 0.814 408 L CB 1.389 43.494 42.059 0.077 0.000 1.217 408 L HN 0.398 nan 8.230 nan 0.000 0.420 409 L N 3.403 124.710 121.223 0.140 0.000 2.325 409 L HA 0.458 4.798 4.340 0.001 0.000 0.279 409 L C -0.097 176.812 176.870 0.065 0.000 1.054 409 L CA -0.694 54.218 54.840 0.120 0.000 0.804 409 L CB 1.221 43.355 42.059 0.124 0.000 1.200 409 L HN 0.579 nan 8.230 nan 0.000 0.436 410 N N 1.892 120.607 118.700 0.026 0.000 2.487 410 N HA 0.398 5.138 4.740 0.001 0.000 0.292 410 N C -0.761 174.755 175.510 0.011 0.000 1.108 410 N CA -0.539 52.518 53.050 0.013 0.000 0.956 410 N CB 1.938 40.414 38.487 -0.018 0.000 1.176 410 N HN 0.477 nan 8.380 nan 0.000 0.484 411 E N 0.525 120.735 120.200 0.018 0.000 2.293 411 E HA 0.412 4.763 4.350 0.001 0.000 0.270 411 E C -0.786 175.817 176.600 0.005 0.000 0.879 411 E CA -0.553 55.850 56.400 0.004 0.000 0.756 411 E CB 2.124 31.826 29.700 0.002 0.000 1.208 411 E HN 0.329 nan 8.360 nan 0.000 0.428 412 T N 2.910 117.459 114.554 -0.007 0.000 2.807 412 T HA 0.704 5.055 4.350 0.001 0.000 0.279 412 T C 0.383 175.078 174.700 -0.009 0.000 0.993 412 T CA -0.541 61.555 62.100 -0.007 0.000 0.970 412 T CB 0.472 69.332 68.868 -0.014 0.000 0.950 412 T HN 0.453 nan 8.240 nan 0.000 0.441 413 I N -0.491 120.078 120.570 -0.001 0.000 3.466 413 I HA 0.994 5.165 4.170 0.001 0.000 0.311 413 I C -0.905 175.208 176.117 -0.007 0.000 1.155 413 I CA -1.848 59.452 61.300 -0.000 0.000 0.959 413 I CB 1.747 39.759 38.000 0.020 0.000 1.332 413 I HN 0.609 nan 8.210 nan 0.000 0.483 414 A N 1.445 124.260 122.820 -0.008 0.000 2.312 414 A HA 0.651 4.971 4.320 0.001 0.000 0.328 414 A C -0.894 176.697 177.584 0.012 0.000 1.158 414 A CA -0.412 51.606 52.037 -0.033 0.000 0.821 414 A CB 0.646 19.600 19.000 -0.076 0.000 1.170 414 A HN 0.867 nan 8.150 nan 0.000 0.490 415 D N -0.279 120.118 120.400 -0.005 0.000 2.478 415 D HA 0.210 4.851 4.640 0.001 0.000 0.269 415 D C 0.753 177.111 176.300 0.098 0.000 1.232 415 D CA -0.000 54.035 54.000 0.059 0.000 1.059 415 D CB -0.068 40.734 40.800 0.003 0.000 1.104 415 D HN 0.614 nan 8.370 nan 0.000 0.566 416 Y N -2.360 118.010 120.300 0.117 0.000 2.483 416 Y HA -0.025 4.526 4.550 0.001 0.000 0.291 416 Y C 1.755 177.844 175.900 0.316 0.000 1.143 416 Y CA 1.163 59.378 58.100 0.192 0.000 1.289 416 Y CB -1.423 37.118 38.460 0.135 0.000 0.983 416 Y HN 0.373 nan 8.280 nan 0.000 0.556 417 T N -3.624 110.739 114.554 -0.318 0.000 3.086 417 T HA 0.456 4.806 4.350 0.001 0.000 0.250 417 T C 1.588 176.278 174.700 -0.015 0.000 1.074 417 T CA 0.228 62.277 62.100 -0.084 0.000 0.988 417 T CB -0.383 68.301 68.868 -0.306 0.000 0.988 417 T HN 0.883 nan 8.240 nan 0.000 0.530 418 G N 0.638 109.310 108.800 -0.213 0.000 2.143 418 G HA2 -0.216 3.745 3.960 0.001 0.000 0.249 418 G HA3 -0.216 3.745 3.960 0.001 0.000 0.249 418 G C -0.024 174.682 174.900 -0.325 0.000 0.981 418 G CA -0.059 44.684 45.100 -0.595 0.000 0.665 418 G HN 0.690 nan 8.290 nan 0.000 0.528 419 V N 1.553 121.347 119.914 -0.200 0.000 2.465 419 V HA 0.435 4.556 4.120 0.001 0.000 0.279 419 V C -1.490 174.542 176.094 -0.104 0.000 1.045 419 V CA -1.643 60.574 62.300 -0.138 0.000 0.938 419 V CB 1.606 33.364 31.823 -0.109 0.000 0.986 419 V HN 0.081 nan 8.190 nan 0.000 0.467 420 P HA 0.077 nan 4.420 nan 0.000 0.264 420 P C -0.564 176.713 177.300 -0.038 0.000 1.183 420 P CA 0.366 63.431 63.100 -0.059 0.000 0.763 420 P CB 0.293 31.962 31.700 -0.052 0.000 0.807 421 M N 2.627 122.213 119.600 -0.022 0.000 2.151 421 M HA 0.274 4.755 4.480 0.001 0.000 0.290 421 M C -0.787 175.516 176.300 0.004 0.000 0.965 421 M CA -0.513 54.784 55.300 -0.004 0.000 0.930 421 M CB 1.514 34.121 32.600 0.011 0.000 1.560 421 M HN 0.205 nan 8.290 nan 0.000 0.438 422 E N 5.665 125.868 120.200 0.004 0.000 2.146 422 E HA 0.394 4.745 4.350 0.001 0.000 0.282 422 E C -1.374 175.237 176.600 0.019 0.000 0.989 422 E CA -0.494 55.910 56.400 0.006 0.000 0.799 422 E CB 1.042 30.741 29.700 -0.003 0.000 1.088 422 E HN 0.747 nan 8.360 nan 0.000 0.397 423 I N 8.034 128.623 120.570 0.032 0.000 2.301 423 I HA 0.238 4.409 4.170 0.001 0.000 0.292 423 I C -1.922 174.221 176.117 0.042 0.000 1.046 423 I CA -2.111 59.219 61.300 0.050 0.000 1.282 423 I CB 1.016 39.067 38.000 0.085 0.000 1.409 423 I HN 0.358 nan 8.210 nan 0.000 0.484 424 P HA 0.103 nan 4.420 nan 0.000 0.275 424 P C -0.531 176.789 177.300 0.034 0.000 1.228 424 P CA -0.291 62.818 63.100 0.015 0.000 0.786 424 P CB 0.627 32.326 31.700 -0.002 0.000 0.927 425 R N 0.987 121.504 120.500 0.029 0.000 3.301 425 R HA -0.224 4.117 4.340 0.001 0.000 0.249 425 R C 1.149 177.509 176.300 0.100 0.000 0.964 425 R CA 0.417 56.550 56.100 0.054 0.000 0.653 425 R CB -2.367 27.953 30.300 0.032 0.000 1.043 425 R HN 0.616 nan 8.270 nan 0.000 0.454 426 A N 0.279 123.171 122.820 0.120 0.000 1.929 426 A HA 0.106 4.427 4.320 0.001 0.000 0.216 426 A C 1.049 178.799 177.584 0.277 0.000 1.176 426 A CA 0.901 53.054 52.037 0.194 0.000 0.628 426 A CB 0.343 19.438 19.000 0.158 0.000 0.816 426 A HN 0.373 nan 8.150 nan 0.000 0.444 427 I N -1.429 119.264 120.570 0.206 0.000 2.686 427 I HA 0.557 4.727 4.170 0.001 0.000 0.295 427 I C -0.384 175.849 176.117 0.193 0.000 1.114 427 I CA -0.802 60.636 61.300 0.230 0.000 1.038 427 I CB 2.262 40.353 38.000 0.152 0.000 1.238 427 I HN 0.126 nan 8.210 nan 0.000 0.420 428 A N 5.348 128.308 122.820 0.233 0.000 2.330 428 A HA 0.828 5.149 4.320 0.001 0.000 0.327 428 A C -0.942 176.780 177.584 0.230 0.000 1.155 428 A CA -0.515 51.673 52.037 0.251 0.000 0.803 428 A CB 1.399 20.587 19.000 0.313 0.000 1.208 428 A HN 0.415 nan 8.150 nan 0.000 0.477 429 V N 3.048 123.061 119.914 0.165 0.000 2.487 429 V HA 0.744 4.864 4.120 0.001 0.000 0.298 429 V C -0.960 175.169 176.094 0.057 0.000 1.028 429 V CA -0.288 61.970 62.300 -0.070 0.000 0.860 429 V CB 0.671 32.321 31.823 -0.287 0.000 0.991 429 V HN 0.904 nan 8.190 nan 0.000 0.427 430 F N 1.168 121.001 119.950 -0.196 0.000 2.650 430 F HA 0.691 5.219 4.527 0.001 0.000 0.310 430 F C -0.787 174.930 175.800 -0.138 0.000 1.112 430 F CA -1.044 56.907 58.000 -0.082 0.000 0.986 430 F CB 1.469 40.471 39.000 0.004 0.000 1.285 430 F HN 0.473 nan 8.300 nan 0.000 0.440 431 E N 2.805 123.094 120.200 0.148 0.000 2.277 431 E HA 0.631 4.982 4.350 0.001 0.000 0.274 431 E C -0.971 175.744 176.600 0.190 0.000 1.022 431 E CA -0.897 55.526 56.400 0.038 0.000 0.853 431 E CB 1.296 31.120 29.700 0.207 0.000 1.086 431 E HN 0.859 nan 8.360 nan 0.000 0.397 432 R N 2.823 123.394 120.500 0.118 0.000 2.698 432 R HA 0.234 4.574 4.340 0.001 0.000 0.275 432 R C -1.470 174.908 176.300 0.129 0.000 1.001 432 R CA -0.956 55.247 56.100 0.171 0.000 0.896 432 R CB 0.582 31.002 30.300 0.201 0.000 1.218 432 R HN 0.512 nan 8.270 nan 0.000 0.462 433 Y N 1.852 122.183 120.300 0.052 0.000 2.442 433 Y HA 0.410 4.960 4.550 0.001 0.000 0.330 433 Y C -0.404 175.494 175.900 -0.003 0.000 1.129 433 Y CA 0.280 58.396 58.100 0.027 0.000 1.365 433 Y CB 1.222 39.693 38.460 0.018 0.000 1.233 433 Y HN 0.839 nan 8.280 nan 0.000 0.529 434 A N 5.436 127.810 122.820 -0.743 0.000 2.992 434 A HA 0.607 4.928 4.320 0.001 0.000 0.263 434 A C 0.606 177.786 177.584 -0.673 0.000 0.928 434 A CA 0.079 51.785 52.037 -0.552 0.000 1.061 434 A CB -0.795 18.009 19.000 -0.327 0.000 1.173 434 A HN 1.767 nan 8.150 nan 0.000 0.482 435 G N 0.882 108.941 108.800 -1.235 0.000 2.741 435 G HA2 -0.129 3.832 3.960 0.001 0.000 0.222 435 G HA3 -0.129 3.832 3.960 0.001 0.000 0.222 435 G C -2.895 171.767 174.900 -0.397 0.000 1.364 435 G CA -0.345 44.414 45.100 -0.568 0.000 0.866 435 G HN 0.574 nan 8.290 nan 0.000 0.555 436 P HA 0.286 nan 4.420 nan 0.000 0.281 436 P C 0.452 177.684 177.300 -0.113 0.000 1.252 436 P CA 0.011 63.060 63.100 -0.084 0.000 0.778 436 P CB 1.810 33.501 31.700 -0.015 0.000 0.895 437 E N 4.243 124.339 120.200 -0.174 0.000 2.077 437 E HA -0.154 4.197 4.350 0.001 0.000 0.193 437 E C 0.061 176.645 176.600 -0.028 0.000 0.989 437 E CA 1.868 58.182 56.400 -0.143 0.000 0.800 437 E CB -0.412 29.133 29.700 -0.258 0.000 0.746 437 E HN 0.598 nan 8.360 nan 0.000 0.452 438 Y N -3.093 117.212 120.300 0.008 0.000 2.713 438 Y HA 0.657 5.207 4.550 0.001 0.000 0.335 438 Y C -1.152 174.765 175.900 0.029 0.000 1.222 438 Y CA -1.715 56.393 58.100 0.013 0.000 1.061 438 Y CB 0.726 39.189 38.460 0.006 0.000 1.314 438 Y HN -0.139 nan 8.280 nan 0.000 0.453 439 K N 1.241 121.848 120.400 0.345 0.000 2.572 439 K HA 0.483 4.803 4.320 0.001 0.000 0.263 439 K C -2.682 174.069 176.600 0.251 0.000 0.932 439 K CA -0.722 55.716 56.287 0.251 0.000 0.838 439 K CB 2.003 34.579 32.500 0.125 0.000 1.366 439 K HN 1.062 nan 8.250 nan 0.000 0.425 440 H N 2.082 121.212 119.070 0.099 0.000 3.083 440 H HA 0.248 4.805 4.556 0.001 0.000 0.339 440 H C -1.807 173.545 175.328 0.039 0.000 1.020 440 H CA -0.313 55.765 56.048 0.050 0.000 1.360 440 H CB 1.800 31.576 29.762 0.023 0.000 1.811 440 H HN 0.530 nan 8.280 nan 0.000 0.493 441 Q N 3.728 123.240 119.800 -0.479 0.000 2.563 441 Q HA 0.246 4.587 4.340 0.001 0.000 0.232 441 Q C -0.830 174.843 176.000 -0.545 0.000 1.106 441 Q CA -0.750 54.830 55.803 -0.370 0.000 0.913 441 Q CB 0.575 29.216 28.738 -0.162 0.000 1.175 441 Q HN 0.590 nan 8.270 nan 0.000 0.540 442 E N 3.201 123.047 120.200 -0.589 0.000 2.376 442 E HA 0.030 4.381 4.350 0.001 0.000 0.266 442 E C -0.510 176.009 176.600 -0.135 0.000 1.009 442 E CA -0.008 56.211 56.400 -0.301 0.000 0.902 442 E CB 0.458 30.115 29.700 -0.072 0.000 0.972 442 E HN 0.784 nan 8.360 nan 0.000 0.439 443 M N 4.529 124.086 119.600 -0.071 0.000 2.261 443 M HA 0.087 4.568 4.480 0.001 0.000 0.350 443 M C 0.929 177.212 176.300 -0.028 0.000 1.343 443 M CA 1.737 57.013 55.300 -0.041 0.000 1.003 443 M CB -0.177 32.413 32.600 -0.016 0.000 1.848 443 M HN 0.822 nan 8.290 nan 0.000 0.456 444 G N 2.805 111.588 108.800 -0.028 0.000 2.155 444 G HA2 -0.205 3.755 3.960 0.001 0.000 0.257 444 G HA3 -0.205 3.755 3.960 0.001 0.000 0.257 444 G C -0.213 174.675 174.900 -0.019 0.000 0.983 444 G CA 0.219 45.307 45.100 -0.019 0.000 0.676 444 G HN 0.670 nan 8.290 nan 0.000 0.528 445 Q N -0.563 119.220 119.800 -0.029 0.000 2.416 445 Q HA 0.543 4.884 4.340 0.001 0.000 0.279 445 Q C -2.603 173.379 176.000 -0.029 0.000 1.101 445 Q CA -1.904 53.885 55.803 -0.024 0.000 0.830 445 Q CB 1.202 29.928 28.738 -0.021 0.000 1.402 445 Q HN 0.137 nan 8.270 nan 0.000 0.445 446 P HA 0.009 nan 4.420 nan 0.000 0.268 446 P C -0.156 177.132 177.300 -0.021 0.000 1.205 446 P CA -0.093 62.998 63.100 -0.014 0.000 0.771 446 P CB 0.525 32.223 31.700 -0.004 0.000 0.858 447 N N 1.784 120.472 118.700 -0.021 0.000 2.482 447 N HA 0.113 4.854 4.740 0.001 0.000 0.260 447 N C -1.257 174.259 175.510 0.009 0.000 1.236 447 N CA 0.029 53.066 53.050 -0.022 0.000 0.938 447 N CB 0.533 39.009 38.487 -0.019 0.000 1.128 447 N HN 0.017 nan 8.380 nan 0.000 0.448 448 V N 1.674 121.607 119.914 0.032 0.000 2.443 448 V HA 0.417 4.537 4.120 0.001 0.000 0.293 448 V C -0.654 175.511 176.094 0.118 0.000 1.021 448 V CA -0.551 61.803 62.300 0.090 0.000 0.848 448 V CB 1.330 33.236 31.823 0.138 0.000 0.998 448 V HN 0.714 nan 8.190 nan 0.000 0.424 449 S N 2.377 118.124 115.700 0.078 0.000 2.550 449 S HA 0.850 5.320 4.470 0.001 0.000 0.270 449 S C -0.477 174.076 174.600 -0.079 0.000 1.145 449 S CA -0.756 57.456 58.200 0.019 0.000 0.852 449 S CB 2.488 65.697 63.200 0.014 0.000 1.119 449 S HN 0.965 nan 8.310 nan 0.000 0.465 450 T N -0.948 113.462 114.554 -0.240 0.000 2.933 450 T HA 0.640 4.991 4.350 0.001 0.000 0.305 450 T C -0.970 173.607 174.700 -0.206 0.000 1.092 450 T CA -1.048 60.890 62.100 -0.271 0.000 1.008 450 T CB 1.399 69.959 68.868 -0.513 0.000 1.102 450 T HN 0.678 nan 8.240 nan 0.000 0.469 451 E N 2.085 122.239 120.200 -0.076 0.000 2.349 451 E HA 0.420 4.771 4.350 0.001 0.000 0.265 451 E C -0.206 176.352 176.600 -0.069 0.000 1.064 451 E CA -1.129 55.276 56.400 0.007 0.000 0.886 451 E CB 1.408 31.232 29.700 0.207 0.000 1.036 451 E HN 0.696 nan 8.360 nan 0.000 0.413 452 R N 1.414 121.828 120.500 -0.143 0.000 2.368 452 R HA 0.279 4.620 4.340 0.001 0.000 0.302 452 R C -0.753 175.500 176.300 -0.079 0.000 1.002 452 R CA -0.703 55.324 56.100 -0.122 0.000 0.929 452 R CB 0.834 31.034 30.300 -0.167 0.000 1.073 452 R HN 0.476 nan 8.270 nan 0.000 0.464 453 R N 2.886 123.425 120.500 0.066 0.000 2.621 453 R HA 0.331 4.672 4.340 0.001 0.000 0.292 453 R C -1.028 175.433 176.300 0.268 0.000 0.969 453 R CA -0.688 55.527 56.100 0.192 0.000 0.887 453 R CB 2.059 32.573 30.300 0.357 0.000 1.180 453 R HN 0.753 nan 8.270 nan 0.000 0.450 454 E N 1.957 122.199 120.200 0.070 0.000 2.266 454 E HA 0.346 4.696 4.350 0.001 0.000 0.268 454 E C -0.869 175.495 176.600 -0.393 0.000 0.879 454 E CA -1.134 55.197 56.400 -0.115 0.000 0.762 454 E CB 2.710 32.221 29.700 -0.315 0.000 1.199 454 E HN 0.096 nan 8.360 nan 0.000 0.422 455 L N 3.084 123.869 121.223 -0.730 0.000 2.272 455 L HA 0.353 4.694 4.340 0.001 0.000 0.289 455 L C -1.253 175.264 176.870 -0.587 0.000 1.032 455 L CA -0.552 53.692 54.840 -0.994 0.000 0.810 455 L CB 1.334 42.449 42.059 -1.574 0.000 1.205 455 L HN 0.319 nan 8.230 nan 0.000 0.422 456 V N 5.663 125.122 119.914 -0.759 0.000 2.547 456 V HA 0.530 4.651 4.120 0.001 0.000 0.299 456 V C -0.468 175.281 176.094 -0.574 0.000 1.040 456 V CA -0.704 61.153 62.300 -0.739 0.000 0.913 456 V CB 1.924 32.980 31.823 -1.279 0.000 0.992 456 V HN 0.485 nan 8.190 nan 0.000 0.449 457 V N 5.402 125.214 119.914 -0.170 0.000 2.349 457 V HA 0.507 4.627 4.120 0.001 0.000 0.284 457 V C -0.013 176.205 176.094 0.207 0.000 1.014 457 V CA -0.586 61.732 62.300 0.030 0.000 0.826 457 V CB 1.378 33.294 31.823 0.155 0.000 1.009 457 V HN 0.873 nan 8.190 nan 0.000 0.431 458 R N 3.717 124.370 120.500 0.254 0.000 2.514 458 R HA 0.579 4.919 4.340 0.001 0.000 0.301 458 R C -1.846 174.735 176.300 0.469 0.000 0.962 458 R CA -0.588 55.749 56.100 0.396 0.000 0.882 458 R CB 1.830 32.392 30.300 0.438 0.000 1.143 458 R HN 0.649 nan 8.270 nan 0.000 0.452 459 W N 6.472 127.958 121.300 0.310 0.000 2.883 459 W HA 0.552 5.213 4.660 0.001 0.000 0.335 459 W C -1.894 174.816 176.519 0.318 0.000 1.083 459 W CA -0.789 56.721 57.345 0.275 0.000 1.233 459 W CB 1.107 30.727 29.460 0.267 0.000 1.412 459 W HN 0.421 nan 8.180 nan 0.000 0.490 460 I N 5.318 125.703 120.570 -0.309 0.000 2.498 460 I HA 0.403 4.574 4.170 0.001 0.000 0.290 460 I C -0.351 175.348 176.117 -0.697 0.000 1.032 460 I CA -0.958 60.097 61.300 -0.408 0.000 1.073 460 I CB 2.043 39.953 38.000 -0.150 0.000 1.251 460 I HN 0.367 nan 8.210 nan 0.000 0.426 461 S N 3.577 118.903 115.700 -0.623 0.000 2.557 461 S HA 0.610 5.081 4.470 0.001 0.000 0.291 461 S C -0.760 173.760 174.600 -0.134 0.000 1.116 461 S CA -0.305 57.652 58.200 -0.404 0.000 0.992 461 S CB 1.561 64.440 63.200 -0.534 0.000 1.028 461 S HN 0.578 nan 8.310 nan 0.000 0.484 462 T N 3.918 118.424 114.554 -0.080 0.000 2.792 462 T HA 0.522 4.872 4.350 0.001 0.000 0.280 462 T C -0.923 173.767 174.700 -0.016 0.000 0.990 462 T CA -0.464 61.588 62.100 -0.079 0.000 0.960 462 T CB 1.241 70.048 68.868 -0.102 0.000 0.939 462 T HN 0.465 nan 8.240 nan 0.000 0.439 463 V N 3.638 123.538 119.914 -0.023 0.000 2.305 463 V HA 0.668 4.789 4.120 0.001 0.000 0.275 463 V C 1.035 177.062 176.094 -0.111 0.000 1.020 463 V CA 0.116 62.392 62.300 -0.039 0.000 0.811 463 V CB 0.120 31.914 31.823 -0.049 0.000 1.031 463 V HN 1.243 nan 8.190 nan 0.000 0.439 464 G N 5.413 114.218 108.800 0.008 0.000 2.609 464 G HA2 -0.268 3.693 3.960 0.001 0.000 0.288 464 G HA3 -0.268 3.693 3.960 0.001 0.000 0.288 464 G C 0.229 175.096 174.900 -0.054 0.000 1.211 464 G CA 0.394 45.560 45.100 0.111 0.000 0.963 464 G HN 0.888 nan 8.290 nan 0.000 0.541 468 Y N 1.217 121.398 120.300 -0.198 0.000 2.352 468 Y HA 0.640 5.191 4.550 0.001 0.000 0.339 468 Y C 0.185 175.880 175.900 -0.342 0.000 0.992 468 Y CA -0.773 57.175 58.100 -0.254 0.000 1.100 468 Y CB 1.310 39.774 38.460 0.007 0.000 1.192 468 Y HN 0.261 nan 8.280 nan 0.000 0.458 469 I N 4.308 124.644 120.570 -0.390 0.000 2.406 469 I HA 0.389 4.560 4.170 0.001 0.000 0.290 469 I C -1.266 174.616 176.117 -0.392 0.000 0.999 469 I CA -0.649 60.484 61.300 -0.279 0.000 1.124 469 I CB 1.171 39.003 38.000 -0.279 0.000 1.289 469 I HN 0.354 nan 8.210 nan 0.000 0.441 470 F N 3.425 123.501 119.950 0.209 0.000 2.493 470 F HA 0.431 4.959 4.527 0.001 0.000 0.329 470 F C -0.323 175.665 175.800 0.313 0.000 1.126 470 F CA -0.773 57.404 58.000 0.296 0.000 0.937 470 F CB 1.500 40.826 39.000 0.543 0.000 1.146 470 F HN 0.326 nan 8.300 nan 0.000 0.442 471 D N 2.265 122.815 120.400 0.250 0.000 2.375 471 D HA 0.261 4.901 4.640 0.001 0.000 0.247 471 D C -1.340 174.851 176.300 -0.181 0.000 1.061 471 D CA -0.241 53.837 54.000 0.131 0.000 0.834 471 D CB 1.431 42.264 40.800 0.054 0.000 1.247 471 D HN 0.348 nan 8.370 nan 0.000 0.489 472 W N 2.474 123.721 121.300 -0.088 0.000 2.318 472 W HA 0.479 5.140 4.660 0.001 0.000 0.315 472 W C -0.104 176.200 176.519 -0.359 0.000 1.033 472 W CA -0.596 56.585 57.345 -0.274 0.000 1.275 472 W CB 0.646 29.965 29.460 -0.235 0.000 1.250 472 W HN 0.123 nan 8.180 nan 0.000 0.421 473 I N 4.560 124.916 120.570 -0.357 0.000 2.328 473 I HA 0.283 4.453 4.170 0.001 0.000 0.287 473 I C -0.830 175.069 176.117 -0.363 0.000 1.012 473 I CA -0.883 60.245 61.300 -0.287 0.000 1.195 473 I CB 0.420 38.309 38.000 -0.185 0.000 1.350 473 I HN 0.098 nan 8.210 nan 0.000 0.464 474 F N 4.839 124.618 119.950 -0.284 0.000 2.350 474 F HA 0.345 4.872 4.527 0.001 0.000 0.365 474 F C 0.916 176.831 175.800 0.190 0.000 1.122 474 F CA -0.417 57.385 58.000 -0.329 0.000 1.139 474 F CB 0.049 38.537 39.000 -0.853 0.000 1.220 474 F HN 0.401 nan 8.300 nan 0.000 0.499 475 H N 2.031 121.293 119.070 0.320 0.000 2.562 475 H HA 0.043 4.600 4.556 0.001 0.000 0.352 475 H C 1.066 176.860 175.328 0.775 0.000 1.125 475 H CA -0.301 56.009 56.048 0.436 0.000 1.379 475 H CB 1.439 31.354 29.762 0.256 0.000 1.464 475 H HN 0.707 nan 8.280 nan 0.000 0.563 476 E N 2.556 123.180 120.200 0.707 0.000 2.265 476 E HA -0.181 4.169 4.350 0.001 0.000 0.196 476 E C 0.905 177.732 176.600 0.377 0.000 0.996 476 E CA 1.080 57.757 56.400 0.463 0.000 0.832 476 E CB 0.030 29.830 29.700 0.166 0.000 0.756 476 E HN 0.736 nan 8.360 nan 0.000 0.491 477 N N -1.488 117.434 118.700 0.370 0.000 2.370 477 N HA 0.054 4.794 4.740 0.001 0.000 0.198 477 N C 1.096 176.728 175.510 0.203 0.000 1.156 477 N CA 0.402 53.573 53.050 0.202 0.000 0.839 477 N CB 0.852 39.422 38.487 0.139 0.000 0.989 477 N HN 0.203 nan 8.380 nan 0.000 0.468 478 G N 0.008 109.104 108.800 0.493 0.000 2.232 478 G HA2 -0.262 3.698 3.960 0.001 0.000 0.226 478 G HA3 -0.262 3.698 3.960 0.001 0.000 0.226 478 G C 0.230 175.514 174.900 0.641 0.000 0.996 478 G CA 0.163 45.560 45.100 0.494 0.000 0.626 478 G HN 0.399 nan 8.290 nan 0.000 0.509 479 T N 1.323 116.096 114.554 0.364 0.000 2.918 479 T HA 0.566 4.917 4.350 0.001 0.000 0.302 479 T C 0.356 175.049 174.700 -0.012 0.000 1.045 479 T CA 0.540 62.666 62.100 0.042 0.000 1.114 479 T CB 1.157 69.805 68.868 -0.367 0.000 0.965 479 T HN 0.348 nan 8.240 nan 0.000 0.540 480 I N 1.768 122.248 120.570 -0.151 0.000 2.478 480 I HA 0.494 4.664 4.170 0.001 0.000 0.287 480 I C 0.581 176.493 176.117 -0.342 0.000 1.042 480 I CA -0.779 60.330 61.300 -0.318 0.000 1.067 480 I CB 1.941 39.718 38.000 -0.372 0.000 1.233 480 I HN 0.692 nan 8.210 nan 0.000 0.431 481 G N 6.603 115.215 108.800 -0.314 0.000 2.441 481 G HA2 0.857 4.817 3.960 0.001 0.000 0.334 481 G HA3 0.857 4.817 3.960 0.001 0.000 0.334 481 G C -0.894 173.738 174.900 -0.447 0.000 1.161 481 G CA -0.492 44.449 45.100 -0.266 0.000 0.935 481 G HN 0.503 nan 8.290 nan 0.000 0.488 482 I N 1.565 121.831 120.570 -0.508 0.000 2.531 482 I HA 0.239 4.410 4.170 0.001 0.000 0.283 482 I C -1.473 174.322 176.117 -0.537 0.000 1.083 482 I CA -0.787 60.016 61.300 -0.829 0.000 1.071 482 I CB 2.171 39.349 38.000 -1.371 0.000 1.210 482 I HN 0.256 nan 8.210 nan 0.000 0.450 483 D N 5.071 125.271 120.400 -0.334 0.000 2.269 483 D HA 0.745 5.386 4.640 0.001 0.000 0.244 483 D C -0.488 175.770 176.300 -0.071 0.000 0.992 483 D CA -0.379 53.558 54.000 -0.105 0.000 0.894 483 D CB 2.578 43.422 40.800 0.073 0.000 1.248 483 D HN 0.532 nan 8.370 nan 0.000 0.468 484 A N 0.544 123.258 122.820 -0.177 0.000 2.343 484 A HA 0.726 5.047 4.320 0.001 0.000 0.308 484 A C 0.017 177.204 177.584 -0.661 0.000 1.092 484 A CA -0.663 50.997 52.037 -0.628 0.000 0.751 484 A CB 1.437 19.754 19.000 -1.139 0.000 1.203 484 A HN 0.489 nan 8.150 nan 0.000 0.452 485 G N 0.480 108.657 108.800 -1.038 0.000 2.452 485 G HA2 0.744 4.705 3.960 0.001 0.000 0.324 485 G HA3 0.744 4.705 3.960 0.001 0.000 0.324 485 G C -0.488 173.900 174.900 -0.855 0.000 1.214 485 G CA 0.041 44.229 45.100 -1.519 0.000 0.947 485 G HN 1.545 nan 8.290 nan 0.000 0.478 486 A N 0.996 123.404 122.820 -0.687 0.000 2.371 486 A HA 0.924 5.245 4.320 0.001 0.000 0.311 486 A C -0.160 177.137 177.584 -0.479 0.000 1.068 486 A CA -0.387 51.363 52.037 -0.479 0.000 0.744 486 A CB 2.210 21.004 19.000 -0.344 0.000 1.239 486 A HN 1.204 nan 8.150 nan 0.000 0.435 487 T N 0.076 114.349 114.554 -0.468 0.000 2.645 487 T HA 0.819 5.170 4.350 0.001 0.000 0.300 487 T C 0.191 174.662 174.700 -0.381 0.000 1.210 487 T CA 0.971 62.856 62.100 -0.359 0.000 1.034 487 T CB 0.885 69.557 68.868 -0.328 0.000 1.537 487 T HN 2.769 nan 8.240 nan 0.000 0.492 488 G N 0.496 109.084 108.800 -0.354 0.000 2.378 488 G HA2 0.108 4.069 3.960 0.001 0.000 0.198 488 G HA3 0.108 4.069 3.960 0.001 0.000 0.198 488 G C -1.662 172.977 174.900 -0.435 0.000 1.223 488 G CA -0.261 44.578 45.100 -0.435 0.000 1.088 488 G HN 0.870 nan 8.290 nan 0.000 0.530 489 I N 1.376 121.621 120.570 -0.542 0.000 2.441 489 I HA 0.446 4.617 4.170 0.001 0.000 0.295 489 I C 0.644 176.569 176.117 -0.320 0.000 0.994 489 I CA -0.777 60.227 61.300 -0.493 0.000 1.144 489 I CB 1.135 38.676 38.000 -0.765 0.000 1.314 489 I HN 0.643 nan 8.210 nan 0.000 0.445 490 E N 2.998 123.216 120.200 0.031 0.000 2.373 490 E HA 0.433 4.784 4.350 0.001 0.000 0.263 490 E C -0.194 176.511 176.600 0.175 0.000 1.073 490 E CA -0.500 55.983 56.400 0.137 0.000 0.894 490 E CB 1.276 31.129 29.700 0.256 0.000 1.008 490 E HN 0.705 nan 8.360 nan 0.000 0.420 491 A N 2.621 125.551 122.820 0.183 0.000 2.310 491 A HA 0.331 4.652 4.320 0.001 0.000 0.300 491 A C 0.042 177.907 177.584 0.468 0.000 1.269 491 A CA -0.573 51.671 52.037 0.346 0.000 0.909 491 A CB -0.296 18.882 19.000 0.296 0.000 1.144 491 A HN 0.366 nan 8.150 nan 0.000 0.540 492 V N 0.595 120.783 119.914 0.458 0.000 2.975 492 V HA 0.698 4.819 4.120 0.001 0.000 0.318 492 V C -0.115 176.251 176.094 0.454 0.000 1.077 492 V CA -1.071 61.386 62.300 0.262 0.000 1.000 492 V CB 1.567 33.328 31.823 -0.103 0.000 1.066 492 V HN 0.822 nan 8.190 nan 0.000 0.452 493 K N 1.565 122.064 120.400 0.166 0.000 2.182 493 K HA 0.661 4.981 4.320 0.001 0.000 0.262 493 K C 0.120 176.786 176.600 0.110 0.000 0.957 493 K CA -0.284 56.135 56.287 0.220 0.000 0.842 493 K CB 1.515 33.900 32.500 -0.192 0.000 1.099 493 K HN 1.188 nan 8.250 nan 0.000 0.438 494 G N 2.566 111.463 108.800 0.161 0.000 2.370 494 G HA2 0.432 4.393 3.960 0.001 0.000 0.272 494 G HA3 0.432 4.393 3.960 0.001 0.000 0.272 494 G C -0.468 174.472 174.900 0.066 0.000 1.208 494 G CA -0.407 44.756 45.100 0.104 0.000 0.856 494 G HN 0.491 nan 8.290 nan 0.000 0.500 495 V N 0.194 120.131 119.914 0.039 0.000 3.141 495 V HA 0.600 4.721 4.120 0.001 0.000 0.312 495 V C 0.760 176.872 176.094 0.029 0.000 1.157 495 V CA -1.147 61.167 62.300 0.024 0.000 1.041 495 V CB 2.065 33.885 31.823 -0.006 0.000 1.071 495 V HN 0.635 nan 8.190 nan 0.000 0.441 496 K N 0.905 121.317 120.400 0.021 0.000 2.243 496 K HA 0.401 4.722 4.320 0.001 0.000 0.201 496 K C 1.015 177.626 176.600 0.019 0.000 1.051 496 K CA 1.026 57.326 56.287 0.022 0.000 0.970 496 K CB 0.114 32.623 32.500 0.015 0.000 0.755 496 K HN 0.930 nan 8.250 nan 0.000 0.465 497 A N 1.724 124.553 122.820 0.016 0.000 2.425 497 A HA 0.053 4.373 4.320 0.001 0.000 0.249 497 A C 0.548 178.158 177.584 0.044 0.000 1.084 497 A CA 0.112 52.162 52.037 0.021 0.000 0.781 497 A CB 0.423 19.431 19.000 0.013 0.000 1.019 497 A HN 0.159 nan 8.150 nan 0.000 0.490 498 K N 0.001 120.426 120.400 0.042 0.000 2.335 498 K HA 0.091 4.412 4.320 0.001 0.000 0.195 498 K C 0.501 177.222 176.600 0.202 0.000 1.058 498 K CA 1.293 57.621 56.287 0.068 0.000 0.988 498 K CB 0.342 32.749 32.500 -0.154 0.000 0.880 498 K HN 0.921 nan 8.250 nan 0.000 0.513 499 T N -3.205 111.428 114.554 0.132 0.000 2.841 499 T HA 0.261 4.612 4.350 0.001 0.000 0.296 499 T C 0.604 175.376 174.700 0.121 0.000 1.166 499 T CA -0.843 61.361 62.100 0.174 0.000 1.007 499 T CB 1.214 70.219 68.868 0.228 0.000 1.253 499 T HN -0.282 nan 8.240 nan 0.000 0.511 500 M N 0.387 120.044 119.600 0.094 0.000 2.632 500 M HA 0.041 4.521 4.480 0.001 0.000 0.256 500 M C 1.083 177.311 176.300 -0.120 0.000 1.080 500 M CA 1.159 56.433 55.300 -0.042 0.000 1.084 500 M CB -1.651 30.881 32.600 -0.112 0.000 1.439 500 M HN 0.724 nan 8.290 nan 0.000 0.509 501 H N -0.516 118.556 119.070 0.004 0.000 2.548 501 H HA 0.118 4.675 4.556 0.001 0.000 0.265 501 H C 0.093 175.418 175.328 -0.005 0.000 0.969 501 H CA 0.042 56.090 56.048 -0.001 0.000 1.155 501 H CB 0.099 29.863 29.762 0.003 0.000 1.394 501 H HN 0.229 nan 8.280 nan 0.000 0.570 502 D N 0.674 121.127 120.400 0.089 0.000 2.339 502 D HA -0.011 4.630 4.640 0.001 0.000 0.245 502 D C 1.022 177.331 176.300 0.015 0.000 1.115 502 D CA -0.041 53.986 54.000 0.045 0.000 0.917 502 D CB 1.027 41.846 40.800 0.032 0.000 1.192 502 D HN 0.358 nan 8.370 nan 0.000 0.428 503 E N 0.024 120.230 120.200 0.009 0.000 2.147 503 E HA -0.202 4.148 4.350 0.001 0.000 0.199 503 E C 1.568 178.160 176.600 -0.013 0.000 1.005 503 E CA 1.610 58.008 56.400 -0.003 0.000 0.810 503 E CB -0.029 29.670 29.700 -0.001 0.000 0.736 503 E HN 0.552 nan 8.360 nan 0.000 0.460 504 T N -2.083 112.464 114.554 -0.011 0.000 3.129 504 T HA 0.346 4.697 4.350 0.001 0.000 0.251 504 T C 1.846 176.527 174.700 -0.031 0.000 1.117 504 T CA 0.364 62.453 62.100 -0.019 0.000 1.034 504 T CB 0.311 69.173 68.868 -0.010 0.000 0.968 504 T HN 0.161 nan 8.240 nan 0.000 0.526 505 A N 2.891 125.693 122.820 -0.029 0.000 1.884 505 A HA -0.201 4.119 4.320 0.001 0.000 0.219 505 A C 2.397 179.940 177.584 -0.068 0.000 1.197 505 A CA 1.935 53.947 52.037 -0.042 0.000 0.637 505 A CB -0.797 18.179 19.000 -0.040 0.000 0.827 505 A HN 0.391 nan 8.150 nan 0.000 0.450 506 K N -0.186 120.170 120.400 -0.072 0.000 2.020 506 K HA -0.206 4.115 4.320 0.001 0.000 0.212 506 K C 1.502 178.033 176.600 -0.116 0.000 1.050 506 K CA 2.179 58.410 56.287 -0.092 0.000 0.929 506 K CB -0.613 31.839 32.500 -0.080 0.000 0.714 506 K HN 0.525 nan 8.250 nan 0.000 0.443 507 D N 0.854 121.196 120.400 -0.097 0.000 2.149 507 D HA -0.116 4.524 4.640 0.001 0.000 0.201 507 D C 1.469 177.696 176.300 -0.121 0.000 0.972 507 D CA 0.829 54.761 54.000 -0.113 0.000 0.835 507 D CB -0.163 40.598 40.800 -0.065 0.000 0.966 507 D HN 0.272 nan 8.370 nan 0.000 0.476 508 D N 0.068 120.416 120.400 -0.087 0.000 2.264 508 D HA -0.080 4.561 4.640 0.001 0.000 0.208 508 D C 1.709 177.941 176.300 -0.112 0.000 0.966 508 D CA 1.042 54.995 54.000 -0.077 0.000 0.864 508 D CB -0.116 40.654 40.800 -0.050 0.000 0.933 508 D HN 0.306 nan 8.370 nan 0.000 0.499 509 T N -2.449 112.023 114.554 -0.136 0.000 3.176 509 T HA 0.185 4.536 4.350 0.001 0.000 0.263 509 T C 1.439 176.008 174.700 -0.217 0.000 1.021 509 T CA -0.486 61.524 62.100 -0.149 0.000 0.905 509 T CB 0.546 69.345 68.868 -0.115 0.000 1.057 509 T HN -0.038 nan 8.240 nan 0.000 0.558 510 R N 0.203 120.493 120.500 -0.349 0.000 2.148 510 R HA -0.001 4.340 4.340 0.001 0.000 0.227 510 R C 0.232 176.136 176.300 -0.659 0.000 1.103 510 R CA 1.095 56.853 56.100 -0.570 0.000 0.983 510 R CB -0.005 29.785 30.300 -0.851 0.000 0.874 510 R HN 0.524 nan 8.270 nan 0.000 0.451 511 Y N -1.316 118.910 120.300 -0.124 0.000 2.706 511 Y HA 0.492 5.042 4.550 0.001 0.000 0.255 511 Y C 0.385 176.186 175.900 -0.166 0.000 1.163 511 Y CA -0.038 57.976 58.100 -0.143 0.000 1.174 511 Y CB 1.518 39.879 38.460 -0.164 0.000 1.200 511 Y HN 0.124 nan 8.280 nan 0.000 0.544 512 G N -0.927 107.828 108.800 -0.076 0.000 2.325 512 G HA2 0.319 4.279 3.960 0.001 0.000 0.297 512 G HA3 0.319 4.279 3.960 0.001 0.000 0.297 512 G C -1.212 173.625 174.900 -0.105 0.000 1.448 512 G CA -0.974 44.068 45.100 -0.097 0.000 0.838 512 G HN -0.182 nan 8.290 nan 0.000 0.579 513 T N 0.551 115.049 114.554 -0.094 0.000 2.909 513 T HA 0.432 4.783 4.350 0.001 0.000 0.289 513 T C 0.162 174.804 174.700 -0.096 0.000 1.005 513 T CA -0.178 61.875 62.100 -0.079 0.000 1.084 513 T CB 1.489 70.328 68.868 -0.047 0.000 0.975 513 T HN 0.653 nan 8.240 nan 0.000 0.509 514 L N 5.100 126.274 121.223 -0.081 0.000 2.363 514 L HA 0.354 4.695 4.340 0.001 0.000 0.286 514 L C 0.857 177.674 176.870 -0.089 0.000 1.106 514 L CA 0.021 54.809 54.840 -0.087 0.000 0.859 514 L CB -0.417 41.613 42.059 -0.048 0.000 1.223 514 L HN 0.723 nan 8.230 nan 0.000 0.446 515 I N 0.002 120.479 120.570 -0.155 0.000 3.860 515 I HA 0.440 4.611 4.170 0.001 0.000 0.319 515 I C -0.096 175.914 176.117 -0.178 0.000 1.279 515 I CA 0.075 61.289 61.300 -0.143 0.000 1.220 515 I CB 0.145 38.050 38.000 -0.157 0.000 1.027 515 I HN 0.470 nan 8.210 nan 0.000 0.428 516 D N -0.092 120.172 120.400 -0.226 0.000 2.694 516 D HA 0.241 4.882 4.640 0.001 0.000 0.260 516 D C -1.048 175.201 176.300 -0.085 0.000 1.250 516 D CA -0.547 53.343 54.000 -0.183 0.000 0.763 516 D CB 1.195 41.873 40.800 -0.204 0.000 1.311 516 D HN 0.182 nan 8.370 nan 0.000 0.420 517 H N 1.354 120.438 119.070 0.024 0.000 3.107 517 H HA 0.112 4.669 4.556 0.001 0.000 0.301 517 H C 0.465 175.802 175.328 0.015 0.000 0.981 517 H CA 0.902 56.967 56.048 0.029 0.000 1.443 517 H CB -0.089 29.709 29.762 0.060 0.000 1.479 517 H HN 0.375 nan 8.280 nan 0.000 0.564 518 N N 1.019 119.794 118.700 0.126 0.000 2.753 518 N HA -0.199 4.542 4.740 0.001 0.000 0.251 518 N C -1.122 174.395 175.510 0.013 0.000 1.097 518 N CA 0.890 53.980 53.050 0.067 0.000 0.786 518 N CB -0.859 37.684 38.487 0.093 0.000 1.137 518 N HN 0.462 nan 8.380 nan 0.000 0.566 519 I N 0.453 120.986 120.570 -0.062 0.000 2.447 519 I HA 0.417 4.588 4.170 0.001 0.000 0.287 519 I C -0.446 175.525 176.117 -0.243 0.000 1.023 519 I CA -0.991 60.195 61.300 -0.190 0.000 1.083 519 I CB 1.919 39.689 38.000 -0.384 0.000 1.245 519 I HN -0.253 nan 8.210 nan 0.000 0.434 520 V N 4.476 124.266 119.914 -0.206 0.000 2.495 520 V HA 0.496 4.617 4.120 0.001 0.000 0.298 520 V C 0.580 176.542 176.094 -0.220 0.000 1.031 520 V CA -0.566 61.613 62.300 -0.201 0.000 0.871 520 V CB 1.892 33.616 31.823 -0.166 0.000 0.988 520 V HN 0.890 nan 8.190 nan 0.000 0.432 521 G N 2.435 111.117 108.800 -0.198 0.000 2.639 521 G HA2 0.328 4.289 3.960 0.001 0.000 0.312 521 G HA3 0.328 4.289 3.960 0.001 0.000 0.312 521 G C 0.292 175.117 174.900 -0.124 0.000 0.911 521 G CA -0.180 44.835 45.100 -0.142 0.000 1.410 521 G HN 0.660 nan 8.290 nan 0.000 0.469 522 T N 2.494 116.953 114.554 -0.158 0.000 2.822 522 T HA 0.066 4.417 4.350 0.001 0.000 0.288 522 T C 1.181 175.907 174.700 0.043 0.000 0.991 522 T CA 0.417 62.415 62.100 -0.169 0.000 1.176 522 T CB 0.366 68.951 68.868 -0.471 0.000 0.951 522 T HN 0.426 nan 8.240 nan 0.000 0.526 523 T N 5.394 119.936 114.554 -0.019 0.000 2.937 523 T HA 0.223 4.574 4.350 0.001 0.000 0.316 523 T C 0.318 174.985 174.700 -0.055 0.000 1.079 523 T CA -0.067 61.994 62.100 -0.065 0.000 1.131 523 T CB 0.016 68.825 68.868 -0.100 0.000 1.000 523 T HN 0.895 nan 8.240 nan 0.000 0.549 524 H N -0.386 118.444 119.070 -0.400 0.000 2.887 524 H HA 0.432 4.989 4.556 0.001 0.000 0.290 524 H C -1.478 173.595 175.328 -0.426 0.000 1.429 524 H CA -1.091 54.615 56.048 -0.571 0.000 1.137 524 H CB 0.835 29.847 29.762 -1.250 0.000 1.824 524 H HN 0.568 nan 8.280 nan 0.000 0.520 525 Q N -0.008 119.534 119.800 -0.430 0.000 2.416 525 Q HA 0.413 4.753 4.340 0.001 0.000 0.279 525 Q C -0.993 174.760 176.000 -0.412 0.000 1.101 525 Q CA -1.028 54.560 55.803 -0.358 0.000 0.830 525 Q CB 2.711 31.342 28.738 -0.180 0.000 1.402 525 Q HN 0.496 nan 8.270 nan 0.000 0.445 526 H N 1.166 120.174 119.070 -0.103 0.000 2.860 526 H HA 0.429 4.986 4.556 0.001 0.000 0.312 526 H C -0.961 174.167 175.328 -0.334 0.000 0.995 526 H CA -0.245 55.684 56.048 -0.200 0.000 1.311 526 H CB 0.672 30.401 29.762 -0.056 0.000 1.478 526 H HN 0.452 nan 8.280 nan 0.000 0.508 527 I N 4.889 125.283 120.570 -0.293 0.000 2.390 527 I HA 0.174 4.344 4.170 0.001 0.000 0.283 527 I C -0.685 175.302 176.117 -0.216 0.000 1.016 527 I CA -0.671 60.523 61.300 -0.178 0.000 1.151 527 I CB 0.583 38.520 38.000 -0.105 0.000 1.293 527 I HN 0.327 nan 8.210 nan 0.000 0.458 528 Y N 4.410 124.774 120.300 0.107 0.000 2.387 528 Y HA 0.458 5.009 4.550 0.001 0.000 0.330 528 Y C 0.185 176.050 175.900 -0.058 0.000 1.133 528 Y CA -0.886 57.209 58.100 -0.009 0.000 1.152 528 Y CB 1.118 39.548 38.460 -0.051 0.000 1.215 528 Y HN 0.495 nan 8.280 nan 0.000 0.466 529 N N 1.160 119.809 118.700 -0.084 0.000 2.310 529 N HA 0.521 5.261 4.740 0.001 0.000 0.292 529 N C -2.178 173.163 175.510 -0.281 0.000 1.049 529 N CA -0.487 52.552 53.050 -0.018 0.000 0.849 529 N CB 0.905 39.494 38.487 0.170 0.000 1.532 529 N HN 0.371 nan 8.380 nan 0.000 0.479 530 F N 1.377 121.480 119.950 0.256 0.000 2.444 530 F HA 0.465 4.993 4.527 0.001 0.000 0.342 530 F C 0.675 176.513 175.800 0.064 0.000 1.121 530 F CA -0.822 57.281 58.000 0.172 0.000 0.997 530 F CB 1.573 40.647 39.000 0.123 0.000 1.130 530 F HN 0.282 nan 8.300 nan 0.000 0.454 531 R N 4.729 125.264 120.500 0.058 0.000 2.196 531 R HA 0.562 4.902 4.340 0.001 0.000 0.340 531 R C -1.661 174.480 176.300 -0.265 0.000 1.043 531 R CA -0.311 55.513 56.100 -0.459 0.000 0.883 531 R CB 0.223 30.099 30.300 -0.707 0.000 1.078 531 R HN 0.786 nan 8.270 nan 0.000 0.462 532 L N 4.604 125.665 121.223 -0.269 0.000 2.337 532 L HA 0.249 4.590 4.340 0.001 0.000 0.269 532 L C -0.451 176.332 176.870 -0.144 0.000 1.018 532 L CA -0.786 53.982 54.840 -0.120 0.000 0.876 532 L CB 1.561 43.609 42.059 -0.018 0.000 1.236 532 L HN 0.542 nan 8.230 nan 0.000 0.436 533 D N 4.484 124.813 120.400 -0.120 0.000 2.551 533 D HA 0.227 4.868 4.640 0.001 0.000 0.223 533 D C -0.160 176.160 176.300 0.032 0.000 1.144 533 D CA -0.039 53.944 54.000 -0.029 0.000 1.025 533 D CB 0.195 41.021 40.800 0.044 0.000 1.085 533 D HN 0.303 nan 8.370 nan 0.000 0.506 534 L N 2.200 123.432 121.223 0.014 0.000 2.380 534 L HA 0.296 4.636 4.340 0.001 0.000 0.273 534 L C 0.193 177.105 176.870 0.071 0.000 1.138 534 L CA -0.206 54.646 54.840 0.020 0.000 0.832 534 L CB 0.874 42.908 42.059 -0.042 0.000 1.124 534 L HN 0.133 nan 8.230 nan 0.000 0.454 535 D N 2.620 123.092 120.400 0.120 0.000 2.404 535 D HA 0.165 4.805 4.640 0.001 0.000 0.267 535 D C -0.443 175.915 176.300 0.097 0.000 1.194 535 D CA -0.253 53.820 54.000 0.123 0.000 0.910 535 D CB 1.680 42.607 40.800 0.212 0.000 1.090 535 D HN 0.049 nan 8.370 nan 0.000 0.511 536 V N 2.649 122.621 119.914 0.097 0.000 2.393 536 V HA -0.037 4.084 4.120 0.001 0.000 0.257 536 V C 1.059 177.289 176.094 0.226 0.000 1.040 536 V CA 0.206 62.628 62.300 0.203 0.000 1.097 536 V CB -0.151 31.818 31.823 0.243 0.000 1.101 536 V HN 0.561 nan 8.190 nan 0.000 0.479 537 D N 3.452 124.006 120.400 0.256 0.000 2.911 537 D HA -0.143 4.498 4.640 0.001 0.000 0.227 537 D C 0.375 176.648 176.300 -0.045 0.000 1.164 537 D CA 1.732 55.774 54.000 0.071 0.000 0.782 537 D CB -0.942 39.801 40.800 -0.095 0.000 1.094 537 D HN 1.216 nan 8.370 nan 0.000 0.425 538 G N -1.446 107.317 108.800 -0.061 0.000 2.353 538 G HA2 0.158 4.119 3.960 0.001 0.000 0.308 538 G HA3 0.158 4.119 3.960 0.001 0.000 0.308 538 G C 0.193 175.058 174.900 -0.059 0.000 1.418 538 G CA 0.134 45.168 45.100 -0.110 0.000 0.966 538 G HN 0.000 nan 8.290 nan 0.000 0.638 539 E N 0.100 120.256 120.200 -0.072 0.000 2.046 539 E HA -0.000 4.350 4.350 0.001 0.000 0.190 539 E C 1.163 177.757 176.600 -0.011 0.000 0.982 539 E CA 0.785 57.164 56.400 -0.036 0.000 0.800 539 E CB 0.005 29.670 29.700 -0.059 0.000 0.756 539 E HN 0.432 nan 8.360 nan 0.000 0.449 540 N N 2.399 121.091 118.700 -0.013 0.000 2.406 540 N HA 0.050 4.791 4.740 0.001 0.000 0.265 540 N C -0.580 174.940 175.510 0.016 0.000 1.203 540 N CA 0.242 53.295 53.050 0.004 0.000 0.945 540 N CB 0.325 38.812 38.487 -0.000 0.000 1.165 540 N HN 0.105 nan 8.380 nan 0.000 0.485 541 N N 0.156 118.874 118.700 0.030 0.000 2.577 541 N HA 0.448 5.188 4.740 0.001 0.000 0.285 541 N C -0.778 174.757 175.510 0.041 0.000 1.309 541 N CA -0.440 52.634 53.050 0.040 0.000 0.798 541 N CB 1.578 40.098 38.487 0.055 0.000 1.463 541 N HN 0.191 nan 8.380 nan 0.000 0.518 542 S N 0.331 116.055 115.700 0.040 0.000 2.549 542 S HA 0.445 4.915 4.470 0.001 0.000 0.280 542 S C -1.128 173.488 174.600 0.028 0.000 1.109 542 S CA -0.568 57.653 58.200 0.035 0.000 0.905 542 S CB 1.947 65.163 63.200 0.026 0.000 1.081 542 S HN 0.411 nan 8.310 nan 0.000 0.477 543 L N 3.526 124.765 121.223 0.027 0.000 2.265 543 L HA 0.650 4.991 4.340 0.001 0.000 0.288 543 L C -1.097 175.751 176.870 -0.037 0.000 1.058 543 L CA -0.018 54.827 54.840 0.009 0.000 0.809 543 L CB 0.678 42.756 42.059 0.032 0.000 1.179 543 L HN 0.461 nan 8.230 nan 0.000 0.429 544 V N 4.863 124.726 119.914 -0.084 0.000 2.555 544 V HA 0.833 4.954 4.120 0.001 0.000 0.302 544 V C 0.106 176.046 176.094 -0.256 0.000 1.038 544 V CA -0.558 61.647 62.300 -0.158 0.000 0.887 544 V CB 1.465 33.203 31.823 -0.140 0.000 0.991 544 V HN 0.956 nan 8.190 nan 0.000 0.434 545 A N 5.606 128.165 122.820 -0.435 0.000 2.324 545 A HA 0.938 5.259 4.320 0.001 0.000 0.330 545 A C -0.493 176.800 177.584 -0.484 0.000 1.165 545 A CA -0.585 51.117 52.037 -0.558 0.000 0.813 545 A CB 1.017 19.384 19.000 -1.056 0.000 1.197 545 A HN 0.830 nan 8.150 nan 0.000 0.484 546 M N 2.903 122.316 119.600 -0.311 0.000 2.031 546 M HA 0.215 4.696 4.480 0.001 0.000 0.273 546 M C -1.662 174.580 176.300 -0.095 0.000 0.904 546 M CA -0.440 54.747 55.300 -0.188 0.000 0.963 546 M CB 1.593 34.059 32.600 -0.223 0.000 1.707 546 M HN 0.581 nan 8.290 nan 0.000 0.427 547 D N 4.713 125.107 120.400 -0.009 0.000 2.396 547 D HA 0.345 4.986 4.640 0.001 0.000 0.225 547 D C -2.463 173.858 176.300 0.036 0.000 1.121 547 D CA -1.317 52.702 54.000 0.031 0.000 0.853 547 D CB 1.116 41.979 40.800 0.106 0.000 1.043 547 D HN 0.124 nan 8.370 nan 0.000 0.500 548 P HA 0.010 nan 4.420 nan 0.000 0.267 548 P C -0.436 176.881 177.300 0.028 0.000 1.205 548 P CA -0.179 62.940 63.100 0.032 0.000 0.765 548 P CB 0.833 32.552 31.700 0.031 0.000 0.828 549 V N 1.031 120.963 119.914 0.031 0.000 3.049 549 V HA 0.539 4.659 4.120 0.001 0.000 0.309 549 V C -0.690 175.416 176.094 0.021 0.000 1.148 549 V CA -1.073 61.242 62.300 0.025 0.000 0.990 549 V CB 2.195 34.034 31.823 0.027 0.000 1.039 549 V HN 0.081 nan 8.190 nan 0.000 0.430 550 V N 3.347 123.270 119.914 0.016 0.000 2.364 550 V HA 0.503 4.624 4.120 0.001 0.000 0.272 550 V C 0.246 176.347 176.094 0.012 0.000 1.036 550 V CA -0.340 61.969 62.300 0.014 0.000 0.880 550 V CB 0.853 32.683 31.823 0.011 0.000 0.991 550 V HN 0.919 nan 8.190 nan 0.000 0.460 551 K N 5.222 125.630 120.400 0.013 0.000 2.267 551 K HA 0.528 4.848 4.320 0.001 0.000 0.246 551 K C -2.778 173.827 176.600 0.009 0.000 0.954 551 K CA -2.049 54.245 56.287 0.011 0.000 0.824 551 K CB 2.310 34.818 32.500 0.013 0.000 1.167 551 K HN 0.276 nan 8.250 nan 0.000 0.431 552 P HA -0.078 nan 4.420 nan 0.000 0.266 552 P C -0.600 176.704 177.300 0.007 0.000 1.195 552 P CA 0.142 63.245 63.100 0.006 0.000 0.768 552 P CB 0.345 32.047 31.700 0.004 0.000 0.838 553 N N 1.448 120.152 118.700 0.006 0.000 2.442 553 N HA 0.073 4.813 4.740 0.001 0.000 0.265 553 N C 0.344 175.857 175.510 0.006 0.000 1.138 553 N CA -0.041 53.013 53.050 0.006 0.000 0.956 553 N CB 0.315 38.806 38.487 0.006 0.000 1.067 553 N HN 0.393 nan 8.380 nan 0.000 0.474 554 T N -0.011 114.546 114.554 0.006 0.000 3.145 554 T HA 0.289 4.639 4.350 0.001 0.000 0.281 554 T C 0.811 175.514 174.700 0.005 0.000 1.003 554 T CA -0.332 61.771 62.100 0.005 0.000 0.901 554 T CB 0.519 69.390 68.868 0.006 0.000 1.112 554 T HN 0.400 nan 8.240 nan 0.000 0.535 555 A N 0.872 123.696 122.820 0.005 0.000 2.387 555 A HA 0.760 5.081 4.320 0.001 0.000 0.234 555 A C 1.378 178.965 177.584 0.004 0.000 1.253 555 A CA 0.108 52.147 52.037 0.005 0.000 0.894 555 A CB -0.749 18.254 19.000 0.006 0.000 0.963 555 A HN 1.411 nan 8.150 nan 0.000 0.508 556 G N -1.764 107.038 108.800 0.004 0.000 2.795 556 G HA2 0.467 4.427 3.960 0.001 0.000 0.664 556 G HA3 0.467 4.427 3.960 0.001 0.000 0.664 556 G C 0.740 175.642 174.900 0.003 0.000 1.381 556 G CA -0.131 44.971 45.100 0.003 0.000 0.853 556 G HN 2.521 nan 8.290 nan 0.000 0.545 557 G N -1.330 107.472 108.800 0.003 0.000 2.655 557 G HA2 0.296 4.257 3.960 0.001 0.000 0.680 557 G HA3 0.296 4.257 3.960 0.001 0.000 0.680 557 G C -0.834 174.068 174.900 0.003 0.000 1.302 557 G CA 0.462 45.564 45.100 0.003 0.000 0.872 557 G HN 1.357 nan 8.290 nan 0.000 0.540 558 P HA 0.053 nan 4.420 nan 0.000 0.218 558 P C 1.004 178.306 177.300 0.003 0.000 1.149 558 P CA 0.557 63.658 63.100 0.003 0.000 0.817 558 P CB 0.088 31.790 31.700 0.003 0.000 0.785 559 R N 0.213 120.715 120.500 0.004 0.000 2.570 559 R HA 0.048 4.388 4.340 0.001 0.000 0.277 559 R C 1.410 177.712 176.300 0.004 0.000 1.039 559 R CA 0.965 57.067 56.100 0.004 0.000 1.065 559 R CB -0.158 30.145 30.300 0.005 0.000 0.964 559 R HN 0.247 nan 8.270 nan 0.000 0.428 560 T N -2.466 112.091 114.554 0.005 0.000 3.051 560 T HA 0.028 4.379 4.350 0.001 0.000 0.255 560 T C 0.851 175.554 174.700 0.005 0.000 1.085 560 T CA 0.314 62.416 62.100 0.004 0.000 1.109 560 T CB 0.216 69.087 68.868 0.004 0.000 0.921 560 T HN 0.538 nan 8.240 nan 0.000 0.488 561 S N 0.854 116.558 115.700 0.006 0.000 2.627 561 S HA 0.743 5.213 4.470 0.001 0.000 0.283 561 S C -0.604 174.002 174.600 0.009 0.000 1.127 561 S CA -0.477 57.727 58.200 0.007 0.000 0.863 561 S CB 2.022 65.226 63.200 0.007 0.000 1.121 561 S HN 0.691 nan 8.310 nan 0.000 0.479 562 T N -1.590 112.970 114.554 0.010 0.000 2.883 562 T HA 0.664 5.015 4.350 0.001 0.000 0.296 562 T C -0.789 173.920 174.700 0.015 0.000 1.117 562 T CA -0.953 61.155 62.100 0.012 0.000 1.006 562 T CB 1.229 70.105 68.868 0.013 0.000 1.191 562 T HN 0.666 nan 8.240 nan 0.000 0.508 563 M N 2.359 121.970 119.600 0.018 0.000 2.061 563 M HA 0.408 4.889 4.480 0.001 0.000 0.346 563 M C -0.158 176.158 176.300 0.028 0.000 1.112 563 M CA -0.443 54.871 55.300 0.023 0.000 1.021 563 M CB 1.235 33.849 32.600 0.024 0.000 1.530 563 M HN 0.635 nan 8.290 nan 0.000 0.437 564 Q N 1.480 121.298 119.800 0.030 0.000 2.873 564 Q HA 0.826 5.167 4.340 0.001 0.000 0.297 564 Q C -1.217 174.809 176.000 0.043 0.000 1.064 564 Q CA -1.161 54.663 55.803 0.035 0.000 0.816 564 Q CB 3.039 31.796 28.738 0.031 0.000 1.481 564 Q HN 0.468 nan 8.270 nan 0.000 0.488 565 V N 1.542 121.485 119.914 0.048 0.000 2.638 565 V HA 0.313 4.433 4.120 0.001 0.000 0.306 565 V C -1.051 175.082 176.094 0.064 0.000 1.052 565 V CA -0.990 61.342 62.300 0.053 0.000 0.885 565 V CB 1.943 33.799 31.823 0.056 0.000 0.999 565 V HN 0.627 nan 8.190 nan 0.000 0.424 566 N N 4.099 122.850 118.700 0.085 0.000 2.420 566 N HA 0.261 5.001 4.740 0.001 0.000 0.249 566 N C -0.530 175.090 175.510 0.184 0.000 1.033 566 N CA -0.050 53.084 53.050 0.140 0.000 0.944 566 N CB 1.781 40.368 38.487 0.167 0.000 1.113 566 N HN 0.763 nan 8.380 nan 0.000 0.502 567 Q N 3.150 123.043 119.800 0.155 0.000 2.322 567 Q HA 0.378 4.719 4.340 0.001 0.000 0.265 567 Q C -1.551 174.562 176.000 0.188 0.000 0.985 567 Q CA -0.756 55.092 55.803 0.075 0.000 0.849 567 Q CB 0.826 29.576 28.738 0.018 0.000 1.274 567 Q HN 0.578 nan 8.270 nan 0.000 0.449 568 Y N 0.418 120.712 120.300 -0.010 0.000 2.609 568 Y HA 0.561 5.112 4.550 0.001 0.000 0.336 568 Y C -1.483 174.416 175.900 -0.003 0.000 1.129 568 Y CA -1.521 56.577 58.100 -0.003 0.000 1.040 568 Y CB 0.809 39.268 38.460 -0.001 0.000 1.310 568 Y HN 0.505 nan 8.280 nan 0.000 0.460 569 N N 0.947 119.718 118.700 0.117 0.000 2.508 569 N HA 0.566 5.306 4.740 0.001 0.000 0.285 569 N C -1.230 174.345 175.510 0.107 0.000 1.144 569 N CA -0.567 52.509 53.050 0.044 0.000 0.978 569 N CB 1.341 39.858 38.487 0.050 0.000 1.180 569 N HN 0.684 nan 8.380 nan 0.000 0.484 570 I N 0.978 121.582 120.570 0.056 0.000 2.388 570 I HA 0.259 4.430 4.170 0.001 0.000 0.281 570 I C 1.199 177.358 176.117 0.071 0.000 1.046 570 I CA -0.378 60.973 61.300 0.085 0.000 1.187 570 I CB 1.119 39.153 38.000 0.057 0.000 1.351 570 I HN 0.739 nan 8.210 nan 0.000 0.472 571 G N 5.595 114.441 108.800 0.076 0.000 2.650 571 G HA2 -0.056 3.905 3.960 0.001 0.000 0.214 571 G HA3 -0.056 3.905 3.960 0.001 0.000 0.214 571 G C 0.481 175.421 174.900 0.067 0.000 1.136 571 G CA 0.101 45.240 45.100 0.066 0.000 0.789 571 G HN 0.649 nan 8.290 nan 0.000 0.536 572 N N -0.789 117.953 118.700 0.071 0.000 2.455 572 N HA 0.191 4.932 4.740 0.001 0.000 0.278 572 N C 0.147 175.709 175.510 0.085 0.000 1.291 572 N CA -0.632 52.464 53.050 0.076 0.000 0.780 572 N CB 1.389 39.916 38.487 0.067 0.000 1.520 572 N HN 0.013 nan 8.380 nan 0.000 0.486 573 E N 0.096 120.358 120.200 0.102 0.000 2.110 573 E HA -0.254 4.097 4.350 0.001 0.000 0.193 573 E C 1.183 177.841 176.600 0.097 0.000 0.988 573 E CA 1.438 57.913 56.400 0.126 0.000 0.804 573 E CB 0.043 29.837 29.700 0.156 0.000 0.745 573 E HN 0.547 nan 8.360 nan 0.000 0.458 574 Q N 1.105 120.950 119.800 0.075 0.000 2.061 574 Q HA -0.179 4.161 4.340 0.001 0.000 0.204 574 Q C 1.520 177.524 176.000 0.006 0.000 0.984 574 Q CA 1.722 57.551 55.803 0.043 0.000 0.846 574 Q CB 0.030 28.794 28.738 0.045 0.000 0.902 574 Q HN 0.213 nan 8.270 nan 0.000 0.421 575 D N -0.924 119.492 120.400 0.027 0.000 2.312 575 D HA -0.045 4.596 4.640 0.001 0.000 0.211 575 D C 1.287 177.595 176.300 0.014 0.000 0.964 575 D CA 1.009 55.023 54.000 0.024 0.000 0.877 575 D CB -0.007 40.826 40.800 0.055 0.000 0.924 575 D HN 0.375 nan 8.370 nan 0.000 0.515 576 A N 0.898 123.731 122.820 0.022 0.000 2.016 576 A HA 0.240 4.560 4.320 0.001 0.000 0.217 576 A C 1.497 179.039 177.584 -0.070 0.000 1.162 576 A CA 0.595 52.647 52.037 0.025 0.000 0.662 576 A CB -0.111 18.942 19.000 0.090 0.000 0.812 576 A HN 0.165 nan 8.150 nan 0.000 0.450 577 A N 0.923 123.632 122.820 -0.184 0.000 2.444 577 A HA 0.501 4.822 4.320 0.001 0.000 0.287 577 A C 0.164 177.453 177.584 -0.492 0.000 1.195 577 A CA 0.116 51.787 52.037 -0.610 0.000 0.858 577 A CB -0.516 18.016 19.000 -0.779 0.000 1.117 577 A HN 0.709 nan 8.150 nan 0.000 0.521 578 Q N 1.903 121.442 119.800 -0.436 0.000 2.685 578 Q HA 0.494 4.834 4.340 0.001 0.000 0.301 578 Q C -1.282 174.653 176.000 -0.107 0.000 0.924 578 Q CA -1.289 54.388 55.803 -0.210 0.000 0.755 578 Q CB 0.845 29.539 28.738 -0.073 0.000 1.470 578 Q HN 0.328 nan 8.270 nan 0.000 0.434 579 K N 0.630 121.016 120.400 -0.024 0.000 2.202 579 K HA 0.367 4.688 4.320 0.001 0.000 0.264 579 K C -1.030 175.656 176.600 0.144 0.000 1.010 579 K CA -0.198 56.119 56.287 0.050 0.000 0.940 579 K CB 0.415 32.930 32.500 0.025 0.000 0.983 579 K HN 0.582 nan 8.250 nan 0.000 0.475 580 F N 1.996 121.961 119.950 0.025 0.000 2.426 580 F HA 0.148 4.676 4.527 0.001 0.000 0.348 580 F C -0.194 175.644 175.800 0.064 0.000 1.124 580 F CA -1.232 56.801 58.000 0.054 0.000 1.008 580 F CB 1.027 40.087 39.000 0.100 0.000 1.139 580 F HN 0.347 nan 8.300 nan 0.000 0.452 581 D N 8.745 128.762 120.400 -0.639 0.000 2.359 581 D HA 0.242 4.883 4.640 0.001 0.000 0.230 581 D C -1.841 173.908 176.300 -0.917 0.000 1.118 581 D CA -2.271 51.419 54.000 -0.517 0.000 0.844 581 D CB 1.983 42.615 40.800 -0.279 0.000 1.059 581 D HN 0.328 nan 8.370 nan 0.000 0.493 582 P HA -0.044 nan 4.420 nan 0.000 0.236 582 P C 1.014 178.220 177.300 -0.157 0.000 1.172 582 P CA 0.395 63.327 63.100 -0.281 0.000 0.759 582 P CB 0.263 32.067 31.700 0.173 0.000 0.843 583 G N -0.329 108.361 108.800 -0.183 0.000 2.939 583 G HA2 0.020 3.981 3.960 0.001 0.000 0.210 583 G HA3 0.020 3.981 3.960 0.001 0.000 0.210 583 G C 0.721 175.567 174.900 -0.090 0.000 1.160 583 G CA 0.469 45.517 45.100 -0.086 0.000 0.770 583 G HN 0.428 nan 8.290 nan 0.000 0.543 584 T N -1.691 112.757 114.554 -0.176 0.000 2.937 584 T HA 0.731 5.082 4.350 0.001 0.000 0.283 584 T C -0.394 174.269 174.700 -0.061 0.000 1.012 584 T CA -0.844 61.187 62.100 -0.114 0.000 0.997 584 T CB 2.186 70.978 68.868 -0.126 0.000 1.136 584 T HN -0.067 nan 8.240 nan 0.000 0.551 585 I N 0.891 121.425 120.570 -0.059 0.000 2.509 585 I HA 0.538 4.709 4.170 0.001 0.000 0.293 585 I C -0.189 175.865 176.117 -0.105 0.000 1.020 585 I CA -1.152 60.096 61.300 -0.086 0.000 1.088 585 I CB 1.851 39.688 38.000 -0.273 0.000 1.267 585 I HN 0.405 nan 8.210 nan 0.000 0.430 586 R N 6.838 127.316 120.500 -0.037 0.000 2.502 586 R HA 0.681 5.022 4.340 0.001 0.000 0.300 586 R C -1.386 174.847 176.300 -0.111 0.000 0.984 586 R CA -0.735 55.335 56.100 -0.049 0.000 0.882 586 R CB 2.126 32.485 30.300 0.099 0.000 1.180 586 R HN 0.559 nan 8.270 nan 0.000 0.444 587 L N 2.984 124.111 121.223 -0.160 0.000 2.354 587 L HA 0.544 4.884 4.340 0.001 0.000 0.269 587 L C -0.497 176.349 176.870 -0.040 0.000 1.005 587 L CA -1.284 53.477 54.840 -0.133 0.000 0.819 587 L CB 1.992 43.891 42.059 -0.267 0.000 1.311 587 L HN 0.243 nan 8.230 nan 0.000 0.423 588 L N 2.051 123.293 121.223 0.032 0.000 2.283 588 L HA 0.461 4.802 4.340 0.001 0.000 0.281 588 L C -0.218 176.705 176.870 0.087 0.000 1.033 588 L CA 0.412 55.289 54.840 0.061 0.000 0.848 588 L CB 0.885 42.994 42.059 0.083 0.000 1.226 588 L HN 0.551 nan 8.230 nan 0.000 0.429 589 S N 3.278 119.012 115.700 0.056 0.000 2.687 589 S HA 0.467 4.937 4.470 0.001 0.000 0.283 589 S C -0.269 174.372 174.600 0.068 0.000 1.170 589 S CA -0.731 57.512 58.200 0.072 0.000 1.008 589 S CB 1.170 64.391 63.200 0.035 0.000 1.026 589 S HN 0.639 nan 8.310 nan 0.000 0.541 590 N N 2.187 120.926 118.700 0.066 0.000 2.621 590 N HA 0.248 4.988 4.740 0.001 0.000 0.237 590 N C -2.042 173.478 175.510 0.017 0.000 0.997 590 N CA -2.107 50.965 53.050 0.038 0.000 0.918 590 N CB 1.309 39.815 38.487 0.030 0.000 1.122 590 N HN 0.233 nan 8.380 nan 0.000 0.510 591 P HA -0.069 nan 4.420 nan 0.000 0.226 591 P C 0.150 177.450 177.300 -0.001 0.000 1.146 591 P CA 0.879 63.985 63.100 0.009 0.000 0.773 591 P CB 0.539 32.246 31.700 0.013 0.000 0.772 592 N N -0.213 118.482 118.700 -0.009 0.000 2.325 592 N HA 0.058 4.799 4.740 0.001 0.000 0.182 592 N C 0.442 175.932 175.510 -0.033 0.000 1.088 592 N CA 0.490 53.528 53.050 -0.019 0.000 0.879 592 N CB 0.494 38.967 38.487 -0.022 0.000 0.983 592 N HN 0.331 nan 8.380 nan 0.000 0.471 593 K N 0.967 121.343 120.400 -0.041 0.000 2.443 593 K HA 0.381 4.702 4.320 0.001 0.000 0.252 593 K C -0.613 175.946 176.600 -0.069 0.000 0.933 593 K CA -0.434 55.812 56.287 -0.068 0.000 0.792 593 K CB 2.445 34.882 32.500 -0.106 0.000 1.185 593 K HN -0.004 nan 8.250 nan 0.000 0.425 594 E N 1.244 121.401 120.200 -0.071 0.000 2.320 594 E HA 0.201 4.551 4.350 0.001 0.000 0.264 594 E C -0.699 175.850 176.600 -0.085 0.000 0.923 594 E CA -0.964 55.400 56.400 -0.059 0.000 0.796 594 E CB 1.885 31.565 29.700 -0.033 0.000 1.262 594 E HN 0.663 nan 8.360 nan 0.000 0.428 595 N N -0.198 118.460 118.700 -0.071 0.000 2.495 595 N HA 0.181 4.921 4.740 0.001 0.000 0.294 595 N C 0.832 176.313 175.510 -0.048 0.000 1.276 595 N CA -0.796 52.208 53.050 -0.077 0.000 0.973 595 N CB 1.051 39.496 38.487 -0.070 0.000 1.143 595 N HN 0.318 nan 8.380 nan 0.000 0.589 596 R N -1.092 119.385 120.500 -0.039 0.000 2.249 596 R HA -0.048 4.293 4.340 0.001 0.000 0.230 596 R C 0.758 177.044 176.300 -0.024 0.000 1.121 596 R CA 1.410 57.493 56.100 -0.029 0.000 0.997 596 R CB -0.133 30.154 30.300 -0.023 0.000 0.867 596 R HN 0.602 nan 8.270 nan 0.000 0.465 597 M N -1.136 118.451 119.600 -0.022 0.000 2.383 597 M HA 0.284 4.764 4.480 0.001 0.000 0.247 597 M C 0.866 177.161 176.300 -0.008 0.000 1.117 597 M CA 0.562 55.852 55.300 -0.016 0.000 0.995 597 M CB 1.416 34.006 32.600 -0.018 0.000 1.480 597 M HN 0.316 nan 8.290 nan 0.000 0.485 598 G N 0.400 109.193 108.800 -0.011 0.000 2.157 598 G HA2 -0.271 3.689 3.960 0.001 0.000 0.248 598 G HA3 -0.271 3.689 3.960 0.001 0.000 0.248 598 G C 0.059 174.963 174.900 0.006 0.000 0.979 598 G CA -0.049 45.048 45.100 -0.005 0.000 0.650 598 G HN 0.514 nan 8.290 nan 0.000 0.529 599 N N 1.420 120.128 118.700 0.013 0.000 2.498 599 N HA 0.503 5.243 4.740 0.001 0.000 0.287 599 N C -2.748 172.784 175.510 0.036 0.000 1.097 599 N CA -1.642 51.433 53.050 0.042 0.000 0.973 599 N CB 1.294 39.824 38.487 0.072 0.000 1.153 599 N HN 0.000 nan 8.380 nan 0.000 0.472 600 P HA -0.038 nan 4.420 nan 0.000 0.267 600 P C -0.530 176.810 177.300 0.067 0.000 1.209 600 P CA -0.297 62.828 63.100 0.041 0.000 0.763 600 P CB 0.423 32.149 31.700 0.044 0.000 0.816 601 V N 1.993 121.914 119.914 0.012 0.000 2.540 601 V HA 0.335 4.455 4.120 0.001 0.000 0.297 601 V C 0.039 176.253 176.094 0.199 0.000 1.024 601 V CA 0.443 62.755 62.300 0.020 0.000 1.105 601 V CB -0.329 31.350 31.823 -0.240 0.000 0.938 601 V HN 0.475 nan 8.190 nan 0.000 0.482 602 S N 3.190 119.078 115.700 0.313 0.000 2.671 602 S HA 0.765 5.236 4.470 0.001 0.000 0.277 602 S C -1.441 173.339 174.600 0.301 0.000 1.165 602 S CA -0.554 57.832 58.200 0.311 0.000 0.822 602 S CB 1.691 65.003 63.200 0.186 0.000 1.150 602 S HN 0.725 nan 8.310 nan 0.000 0.479 603 Y N 1.478 121.842 120.300 0.108 0.000 2.391 603 Y HA 0.434 4.985 4.550 0.001 0.000 0.341 603 Y C -0.004 175.921 175.900 0.042 0.000 0.965 603 Y CA -0.487 57.646 58.100 0.055 0.000 1.067 603 Y CB 1.756 40.198 38.460 -0.029 0.000 1.199 603 Y HN 0.625 nan 8.280 nan 0.000 0.450 604 Q N 4.442 124.317 119.800 0.124 0.000 2.288 604 Q HA 0.459 4.800 4.340 0.001 0.000 0.258 604 Q C -1.183 174.858 176.000 0.068 0.000 0.957 604 Q CA -0.272 55.572 55.803 0.068 0.000 0.919 604 Q CB 0.600 29.430 28.738 0.155 0.000 1.185 604 Q HN 0.676 nan 8.270 nan 0.000 0.408 605 I N 6.117 126.698 120.570 0.018 0.000 2.304 605 I HA 0.274 4.445 4.170 0.001 0.000 0.291 605 I C -0.354 175.666 176.117 -0.162 0.000 1.018 605 I CA -0.409 60.868 61.300 -0.038 0.000 1.260 605 I CB 0.867 38.847 38.000 -0.034 0.000 1.390 605 I HN 0.565 nan 8.210 nan 0.000 0.475 606 I N 8.627 129.085 120.570 -0.186 0.000 2.502 606 I HA 0.249 4.420 4.170 0.001 0.000 0.276 606 I C -1.903 174.027 176.117 -0.312 0.000 1.057 606 I CA -1.492 59.629 61.300 -0.298 0.000 1.163 606 I CB 1.494 39.476 38.000 -0.030 0.000 1.288 606 I HN 0.326 nan 8.210 nan 0.000 0.479 607 P HA -0.139 nan 4.420 nan 0.000 0.223 607 P C -0.396 176.969 177.300 0.108 0.000 1.151 607 P CA 1.117 64.115 63.100 -0.170 0.000 0.787 607 P CB 0.052 31.622 31.700 -0.217 0.000 0.788 608 Y N -0.302 120.003 120.300 0.008 0.000 2.402 608 Y HA 0.621 5.172 4.550 0.001 0.000 0.325 608 Y C -0.097 175.933 175.900 0.216 0.000 1.009 608 Y CA -1.553 56.665 58.100 0.197 0.000 1.278 608 Y CB 0.651 39.306 38.460 0.326 0.000 1.105 608 Y HN -0.186 nan 8.280 nan 0.000 0.476 609 A N 3.709 126.383 122.820 -0.243 0.000 2.564 609 A HA 0.734 5.054 4.320 0.001 0.000 0.279 609 A C 0.730 178.124 177.584 -0.316 0.000 1.232 609 A CA 0.262 52.151 52.037 -0.246 0.000 0.950 609 A CB -0.571 18.384 19.000 -0.076 0.000 1.138 609 A HN 1.561 nan 8.150 nan 0.000 0.526 610 G N -2.249 106.181 108.800 -0.616 0.000 2.381 610 G HA2 0.531 4.492 3.960 0.001 0.000 0.672 610 G HA3 0.531 4.492 3.960 0.001 0.000 0.672 610 G C -0.269 174.703 174.900 0.121 0.000 1.324 610 G CA -0.232 44.733 45.100 -0.225 0.000 0.975 610 G HN 1.914 nan 8.290 nan 0.000 0.593 611 G N -2.197 106.728 108.800 0.208 0.000 2.489 611 G HA2 0.718 4.679 3.960 0.001 0.000 0.291 611 G HA3 0.718 4.679 3.960 0.001 0.000 0.291 611 G C 0.513 175.508 174.900 0.158 0.000 1.487 611 G CA 0.942 46.150 45.100 0.181 0.000 0.795 611 G HN 1.977 nan 8.290 nan 0.000 0.513 612 T N -2.622 111.988 114.554 0.094 0.000 3.065 612 T HA 0.265 4.616 4.350 0.001 0.000 0.252 612 T C 0.680 175.385 174.700 0.007 0.000 1.099 612 T CA 0.619 62.740 62.100 0.035 0.000 1.063 612 T CB 0.020 68.876 68.868 -0.021 0.000 0.948 612 T HN 0.447 nan 8.240 nan 0.000 0.506 613 H N 1.644 120.733 119.070 0.032 0.000 2.615 613 H HA 0.547 5.104 4.556 0.001 0.000 0.346 613 H C -2.516 172.839 175.328 0.044 0.000 1.200 613 H CA -2.409 53.637 56.048 -0.003 0.000 1.264 613 H CB 1.092 30.818 29.762 -0.060 0.000 1.699 613 H HN 0.062 nan 8.280 nan 0.000 0.567 614 P HA -0.037 nan 4.420 nan 0.000 0.269 614 P C -0.445 176.902 177.300 0.078 0.000 1.209 614 P CA -0.096 63.059 63.100 0.090 0.000 0.776 614 P CB 0.652 32.371 31.700 0.032 0.000 0.876 615 V N 2.801 122.747 119.914 0.052 0.000 2.583 615 V HA 0.445 4.565 4.120 0.001 0.000 0.287 615 V C 0.022 176.086 176.094 -0.050 0.000 1.051 615 V CA -0.454 61.839 62.300 -0.012 0.000 1.010 615 V CB 0.429 32.123 31.823 -0.216 0.000 0.988 615 V HN 0.673 nan 8.190 nan 0.000 0.478 616 A N 5.827 128.630 122.820 -0.029 0.000 2.376 616 A HA 0.381 4.702 4.320 0.001 0.000 0.298 616 A C 0.942 178.499 177.584 -0.044 0.000 1.271 616 A CA -0.326 51.692 52.037 -0.032 0.000 0.926 616 A CB 0.029 19.025 19.000 -0.008 0.000 1.141 616 A HN 0.994 nan 8.150 nan 0.000 0.539 617 K N 1.843 122.213 120.400 -0.050 0.000 2.365 617 K HA 0.160 4.481 4.320 0.001 0.000 0.199 617 K C 1.022 177.624 176.600 0.002 0.000 1.045 617 K CA 0.945 57.207 56.287 -0.041 0.000 0.962 617 K CB 0.120 32.596 32.500 -0.038 0.000 0.759 617 K HN 0.885 nan 8.250 nan 0.000 0.469 618 G N -0.214 108.594 108.800 0.013 0.000 2.348 618 G HA2 0.431 4.392 3.960 0.001 0.000 0.296 618 G HA3 0.431 4.392 3.960 0.001 0.000 0.296 618 G C -1.786 173.143 174.900 0.048 0.000 1.258 618 G CA -0.507 44.620 45.100 0.044 0.000 0.868 618 G HN 0.059 nan 8.290 nan 0.000 0.488 619 A N 0.012 122.897 122.820 0.108 0.000 2.354 619 A HA 0.569 4.890 4.320 0.001 0.000 0.281 619 A C 0.361 178.043 177.584 0.163 0.000 1.174 619 A CA -0.169 51.980 52.037 0.185 0.000 0.828 619 A CB 0.430 19.608 19.000 0.297 0.000 1.099 619 A HN 0.368 nan 8.150 nan 0.000 0.516 620 Q N 2.090 121.854 119.800 -0.060 0.000 3.223 620 Q HA 0.258 4.599 4.340 0.001 0.000 0.299 620 Q C -1.505 174.171 176.000 -0.540 0.000 1.385 620 Q CA 0.731 56.378 55.803 -0.262 0.000 0.942 620 Q CB -0.889 27.640 28.738 -0.349 0.000 1.748 620 Q HN 0.557 nan 8.270 nan 0.000 0.523 621 F N -0.703 119.291 119.950 0.073 0.000 2.591 621 F HA 0.501 5.028 4.527 0.001 0.000 0.309 621 F C 0.176 175.950 175.800 -0.044 0.000 1.098 621 F CA -1.349 56.689 58.000 0.064 0.000 0.937 621 F CB 1.098 40.194 39.000 0.160 0.000 1.250 621 F HN 0.081 nan 8.300 nan 0.000 0.447 622 A N 3.708 126.590 122.820 0.104 0.000 2.483 622 A HA 0.330 4.651 4.320 0.001 0.000 0.238 622 A C -1.516 175.884 177.584 -0.307 0.000 1.070 622 A CA -0.926 51.064 52.037 -0.079 0.000 0.770 622 A CB -0.267 18.710 19.000 -0.038 0.000 1.008 622 A HN 0.601 nan 8.150 nan 0.000 0.497 623 P HA -0.143 nan 4.420 nan 0.000 0.229 623 P C 0.143 177.168 177.300 -0.459 0.000 1.150 623 P CA 1.398 63.989 63.100 -0.849 0.000 0.765 623 P CB 0.046 31.448 31.700 -0.496 0.000 0.783 624 D N -1.487 118.750 120.400 -0.271 0.000 2.368 624 D HA 0.032 4.673 4.640 0.001 0.000 0.218 624 D C 0.213 176.402 176.300 -0.185 0.000 1.112 624 D CA -0.065 53.805 54.000 -0.217 0.000 0.834 624 D CB -0.118 40.588 40.800 -0.157 0.000 0.953 624 D HN 0.075 nan 8.370 nan 0.000 0.505 625 E N -0.052 120.095 120.200 -0.089 0.000 2.301 625 E HA 0.061 4.412 4.350 0.001 0.000 0.275 625 E C 0.208 176.800 176.600 -0.013 0.000 1.030 625 E CA -0.527 55.890 56.400 0.030 0.000 0.852 625 E CB 1.014 30.793 29.700 0.132 0.000 1.060 625 E HN 0.207 nan 8.360 nan 0.000 0.401 626 W N 2.056 123.391 121.300 0.058 0.000 2.358 626 W HA -0.113 4.548 4.660 0.002 0.000 0.303 626 W C 2.165 178.679 176.519 -0.008 0.000 1.208 626 W CA 0.369 57.737 57.345 0.039 0.000 1.274 626 W CB -0.201 29.188 29.460 -0.119 0.000 1.138 626 W HN 0.609 nan 8.180 nan 0.000 0.515 627 I N -0.560 120.028 120.570 0.030 0.000 2.208 627 I HA -0.379 3.792 4.170 0.001 0.000 0.245 627 I C 2.450 178.493 176.117 -0.123 0.000 1.097 627 I CA 1.652 62.868 61.300 -0.140 0.000 1.363 627 I CB -0.390 37.355 38.000 -0.426 0.000 1.051 627 I HN 0.071 nan 8.210 nan 0.000 0.413 628 Y N 0.764 120.930 120.300 -0.223 0.000 2.181 628 Y HA -0.349 4.201 4.550 0.001 0.000 0.288 628 Y C 2.582 178.475 175.900 -0.012 0.000 1.146 628 Y CA 2.385 60.419 58.100 -0.108 0.000 1.164 628 Y CB -0.612 37.829 38.460 -0.032 0.000 0.982 628 Y HN 0.397 nan 8.280 nan 0.000 0.515 629 H N 0.057 119.209 119.070 0.136 0.000 2.299 629 H HA -0.048 4.508 4.556 0.001 0.000 0.302 629 H C 2.287 177.641 175.328 0.043 0.000 1.078 629 H CA 2.247 58.337 56.048 0.070 0.000 1.323 629 H CB -0.149 29.561 29.762 -0.087 0.000 1.381 629 H HN 0.234 nan 8.280 nan 0.000 0.498 630 R N -0.383 120.121 120.500 0.007 0.000 2.096 630 R HA 0.023 4.364 4.340 0.001 0.000 0.235 630 R C 0.202 176.438 176.300 -0.107 0.000 1.127 630 R CA 1.176 57.241 56.100 -0.060 0.000 0.968 630 R CB 0.042 30.388 30.300 0.077 0.000 0.861 630 R HN 0.261 nan 8.270 nan 0.000 0.440 631 L N 1.240 122.405 121.223 -0.096 0.000 2.408 631 L HA 0.229 4.570 4.340 0.001 0.000 0.257 631 L C 0.775 177.524 176.870 -0.203 0.000 1.053 631 L CA -0.417 54.395 54.840 -0.047 0.000 0.922 631 L CB 1.759 43.831 42.059 0.020 0.000 1.261 631 L HN 0.085 nan 8.230 nan 0.000 0.458 632 S N 0.583 116.191 115.700 -0.152 0.000 2.489 632 S HA -0.141 4.330 4.470 0.001 0.000 0.228 632 S C 1.644 176.251 174.600 0.012 0.000 0.995 632 S CA 0.240 58.346 58.200 -0.156 0.000 0.934 632 S CB -0.388 62.802 63.200 -0.017 0.000 0.771 632 S HN 0.653 nan 8.310 nan 0.000 0.522 633 F N 1.553 121.362 119.950 -0.236 0.000 2.333 633 F HA 0.217 4.745 4.527 0.001 0.000 0.300 633 F C 1.904 177.765 175.800 0.102 0.000 1.083 633 F CA 0.247 58.120 58.000 -0.212 0.000 1.395 633 F CB -0.975 37.733 39.000 -0.487 0.000 1.056 633 F HN 0.084 nan 8.300 nan 0.000 0.529 634 M N 0.429 119.559 119.600 -0.783 0.000 2.279 634 M HA -0.162 4.319 4.480 0.001 0.000 0.264 634 M C 1.192 177.398 176.300 -0.156 0.000 1.062 634 M CA 1.879 56.828 55.300 -0.586 0.000 1.099 634 M CB -0.520 31.745 32.600 -0.559 0.000 1.394 634 M HN 0.162 nan 8.290 nan 0.000 0.426 635 D N -0.002 120.359 120.400 -0.065 0.000 2.350 635 D HA 0.044 4.684 4.640 0.001 0.000 0.213 635 D C -0.045 176.308 176.300 0.089 0.000 1.031 635 D CA 0.549 54.566 54.000 0.029 0.000 0.861 635 D CB 0.575 41.370 40.800 -0.009 0.000 0.926 635 D HN -0.082 nan 8.370 nan 0.000 0.520 636 K N 0.194 120.708 120.400 0.189 0.000 2.318 636 K HA 0.321 4.642 4.320 0.001 0.000 0.249 636 K C 0.122 176.868 176.600 0.243 0.000 0.942 636 K CA -0.447 55.880 56.287 0.066 0.000 0.808 636 K CB 1.784 34.029 32.500 -0.425 0.000 1.189 636 K HN -0.151 nan 8.250 nan 0.000 0.428 637 Q N 0.295 120.194 119.800 0.165 0.000 2.384 637 Q HA 0.178 4.519 4.340 0.001 0.000 0.207 637 Q C -0.289 175.869 176.000 0.264 0.000 0.904 637 Q CA 0.163 56.118 55.803 0.255 0.000 0.933 637 Q CB 0.363 29.251 28.738 0.250 0.000 1.077 637 Q HN 0.295 nan 8.270 nan 0.000 0.522 638 L N -0.112 121.195 121.223 0.139 0.000 2.438 638 L HA 0.595 4.935 4.340 0.001 0.000 0.270 638 L C -2.125 174.756 176.870 0.019 0.000 0.972 638 L CA -0.490 54.445 54.840 0.159 0.000 0.831 638 L CB 1.171 43.293 42.059 0.104 0.000 1.273 638 L HN -0.004 nan 8.230 nan 0.000 0.405 639 W N 4.235 125.666 121.300 0.219 0.000 3.032 639 W HA 0.799 5.460 4.660 0.001 0.000 0.335 639 W C -1.236 175.477 176.519 0.324 0.000 1.154 639 W CA -0.799 56.668 57.345 0.203 0.000 1.204 639 W CB 2.266 31.783 29.460 0.095 0.000 1.416 639 W HN 0.275 nan 8.180 nan 0.000 0.521 640 V N 2.430 122.632 119.914 0.481 0.000 2.612 640 V HA 0.692 4.813 4.120 0.001 0.000 0.301 640 V C -0.206 176.110 176.094 0.371 0.000 1.059 640 V CA -0.796 61.757 62.300 0.422 0.000 0.886 640 V CB 1.520 33.494 31.823 0.251 0.000 1.007 640 V HN 0.597 nan 8.190 nan 0.000 0.426 641 T N 1.484 116.296 114.554 0.428 0.000 2.907 641 T HA 0.783 5.134 4.350 0.001 0.000 0.290 641 T C -0.408 174.426 174.700 0.224 0.000 1.066 641 T CA -0.953 61.342 62.100 0.324 0.000 1.012 641 T CB 2.130 71.221 68.868 0.372 0.000 1.184 641 T HN 0.525 nan 8.240 nan 0.000 0.522 642 R N 0.412 120.988 120.500 0.126 0.000 2.490 642 R HA 0.323 4.664 4.340 0.001 0.000 0.280 642 R C -0.837 175.334 176.300 -0.214 0.000 1.077 642 R CA -0.756 55.326 56.100 -0.029 0.000 1.065 642 R CB -0.425 29.831 30.300 -0.074 0.000 1.003 642 R HN 0.746 nan 8.270 nan 0.000 0.470 643 Y N 4.514 124.644 120.300 -0.284 0.000 2.717 643 Y HA 0.096 4.647 4.550 0.001 0.000 0.330 643 Y C -0.838 174.743 175.900 -0.532 0.000 1.217 643 Y CA 0.820 58.757 58.100 -0.271 0.000 1.506 643 Y CB 0.300 38.667 38.460 -0.153 0.000 1.268 643 Y HN 0.560 nan 8.280 nan 0.000 0.561 644 H N 7.740 126.296 119.070 -0.856 0.000 3.149 644 H HA 0.158 4.714 4.556 0.001 0.000 0.334 644 H C -2.037 172.826 175.328 -0.774 0.000 1.000 644 H CA -1.681 53.918 56.048 -0.749 0.000 1.415 644 H CB 1.837 31.383 29.762 -0.360 0.000 1.819 644 H HN 0.488 nan 8.280 nan 0.000 0.486 645 P HA -0.117 nan 4.420 nan 0.000 0.220 645 P C 1.208 178.381 177.300 -0.211 0.000 1.144 645 P CA 1.289 64.208 63.100 -0.302 0.000 0.800 645 P CB 0.216 31.836 31.700 -0.135 0.000 0.772 646 G N -0.437 108.238 108.800 -0.208 0.000 2.838 646 G HA2 -0.027 3.934 3.960 0.001 0.000 0.210 646 G HA3 -0.027 3.934 3.960 0.001 0.000 0.210 646 G C 0.432 175.177 174.900 -0.258 0.000 1.153 646 G CA -0.117 44.876 45.100 -0.178 0.000 0.778 646 G HN 0.307 nan 8.290 nan 0.000 0.539 647 E N 0.641 120.612 120.200 -0.382 0.000 2.035 647 E HA 0.403 4.754 4.350 0.001 0.000 0.271 647 E C 0.124 176.444 176.600 -0.467 0.000 0.953 647 E CA -0.329 55.635 56.400 -0.728 0.000 0.777 647 E CB 1.045 30.070 29.700 -1.126 0.000 1.104 647 E HN 0.239 nan 8.360 nan 0.000 0.408 648 R N 1.692 121.897 120.500 -0.491 0.000 2.541 648 R HA 0.206 4.546 4.340 0.001 0.000 0.332 648 R C -0.501 175.448 176.300 -0.586 0.000 0.951 648 R CA -0.089 55.642 56.100 -0.614 0.000 1.136 648 R CB 0.714 30.405 30.300 -1.014 0.000 1.449 648 R HN 0.240 nan 8.270 nan 0.000 0.531 649 F N 1.685 121.816 119.950 0.303 0.000 2.529 649 F HA 0.377 4.904 4.527 0.001 0.000 0.320 649 F C -1.607 174.209 175.800 0.027 0.000 1.118 649 F CA -3.021 55.073 58.000 0.156 0.000 0.915 649 F CB 1.607 40.598 39.000 -0.016 0.000 1.161 649 F HN -0.277 nan 8.300 nan 0.000 0.445 650 P HA -0.183 nan 4.420 nan 0.000 0.217 650 P C 0.813 177.609 177.300 -0.840 0.000 1.150 650 P CA 1.762 64.454 63.100 -0.680 0.000 0.832 650 P CB 0.282 31.381 31.700 -1.001 0.000 0.787 651 E N 0.583 120.380 120.200 -0.671 0.000 2.478 651 E HA 0.170 4.520 4.350 0.001 0.000 0.194 651 E C 0.884 177.348 176.600 -0.227 0.000 1.045 651 E CA 0.657 56.832 56.400 -0.375 0.000 0.868 651 E CB -0.494 29.084 29.700 -0.202 0.000 0.885 651 E HN 0.217 nan 8.360 nan 0.000 0.505 652 G N 1.715 110.411 108.800 -0.172 0.000 2.650 652 G HA2 -0.232 3.728 3.960 0.001 0.000 0.686 652 G HA3 -0.232 3.728 3.960 0.001 0.000 0.686 652 G C 0.018 174.882 174.900 -0.060 0.000 1.205 652 G CA -0.103 44.926 45.100 -0.117 0.000 0.781 652 G HN 0.113 nan 8.290 nan 0.000 0.648 653 K N -0.633 119.738 120.400 -0.048 0.000 2.147 653 K HA 0.005 4.326 4.320 0.001 0.000 0.205 653 K C 0.208 176.388 176.600 -0.701 0.000 1.049 653 K CA 1.406 57.503 56.287 -0.316 0.000 0.936 653 K CB -0.112 32.165 32.500 -0.371 0.000 0.722 653 K HN 0.499 nan 8.250 nan 0.000 0.446 654 Y N 0.210 120.472 120.300 -0.063 0.000 2.584 654 Y HA 0.244 4.795 4.550 0.001 0.000 0.358 654 Y C -2.003 173.847 175.900 -0.083 0.000 1.028 654 Y CA -2.429 55.626 58.100 -0.075 0.000 1.148 654 Y CB 1.442 39.868 38.460 -0.056 0.000 1.126 654 Y HN 0.089 nan 8.280 nan 0.000 0.658 655 P HA -0.103 nan 4.420 nan 0.000 0.229 655 P C 0.169 177.476 177.300 0.011 0.000 1.160 655 P CA 0.606 63.694 63.100 -0.020 0.000 0.777 655 P CB 0.494 32.169 31.700 -0.043 0.000 0.814 656 N N 1.817 120.537 118.700 0.035 0.000 2.406 656 N HA -0.023 4.718 4.740 0.001 0.000 0.274 656 N C 0.201 175.725 175.510 0.024 0.000 1.249 656 N CA 0.196 53.255 53.050 0.015 0.000 0.951 656 N CB -0.635 37.852 38.487 -0.001 0.000 1.241 656 N HN -0.066 nan 8.380 nan 0.000 0.485 657 R N 0.253 120.749 120.500 -0.006 0.000 3.776 657 R HA -0.165 4.175 4.340 0.001 0.000 0.312 657 R C -0.372 175.912 176.300 -0.028 0.000 1.181 657 R CA 0.820 56.921 56.100 0.002 0.000 0.836 657 R CB -2.849 27.412 30.300 -0.064 0.000 1.324 657 R HN 0.722 nan 8.270 nan 0.000 0.501 658 S N -0.497 115.175 115.700 -0.046 0.000 2.568 658 S HA 0.133 4.604 4.470 0.001 0.000 0.282 658 S C 1.596 176.043 174.600 -0.256 0.000 1.338 658 S CA 0.165 58.291 58.200 -0.123 0.000 1.045 658 S CB 1.583 64.713 63.200 -0.116 0.000 0.873 658 S HN 0.325 nan 8.310 nan 0.000 0.516 659 T N -2.094 112.270 114.554 -0.317 0.000 3.044 659 T HA 0.113 4.464 4.350 0.001 0.000 0.255 659 T C 0.680 175.491 174.700 0.186 0.000 1.073 659 T CA 0.591 62.420 62.100 -0.453 0.000 1.125 659 T CB -0.551 68.056 68.868 -0.435 0.000 0.908 659 T HN 0.967 nan 8.240 nan 0.000 0.480 660 H N -0.851 118.200 119.070 -0.031 0.000 2.977 660 H HA 0.501 5.058 4.556 0.001 0.000 0.350 660 H C -1.713 173.544 175.328 -0.119 0.000 1.238 660 H CA -1.179 54.848 56.048 -0.034 0.000 1.124 660 H CB 0.735 30.500 29.762 0.005 0.000 1.866 660 H HN -0.020 nan 8.280 nan 0.000 0.550 661 D N 1.316 121.576 120.400 -0.232 0.000 2.363 661 D HA 0.018 4.658 4.640 0.001 0.000 0.263 661 D C 0.642 176.730 176.300 -0.354 0.000 1.258 661 D CA 0.333 54.158 54.000 -0.292 0.000 0.907 661 D CB 0.656 41.303 40.800 -0.254 0.000 1.107 661 D HN 0.663 nan 8.370 nan 0.000 0.495 662 T N 0.472 114.776 114.554 -0.417 0.000 3.129 662 T HA 0.401 4.751 4.350 0.001 0.000 0.267 662 T C 0.862 175.254 174.700 -0.513 0.000 1.018 662 T CA -0.219 61.650 62.100 -0.386 0.000 0.903 662 T CB 0.756 69.432 68.868 -0.320 0.000 1.067 662 T HN 0.258 nan 8.240 nan 0.000 0.549 663 G N 1.168 109.558 108.800 -0.683 0.000 3.410 663 G HA2 0.484 4.444 3.960 0.001 0.000 0.189 663 G HA3 0.484 4.444 3.960 0.001 0.000 0.189 663 G C 0.754 174.684 174.900 -1.617 0.000 1.404 663 G CA -0.723 43.704 45.100 -1.121 0.000 0.898 663 G HN 0.272 nan 8.290 nan 0.000 0.650 664 L N 1.066 121.581 121.223 -1.180 0.000 2.189 664 L HA -0.054 4.286 4.340 0.001 0.000 0.214 664 L C 2.948 179.420 176.870 -0.662 0.000 1.097 664 L CA 1.116 55.322 54.840 -1.058 0.000 0.764 664 L CB -0.387 40.752 42.059 -1.534 0.000 0.900 664 L HN 0.572 nan 8.230 nan 0.000 0.436 665 G N -1.144 107.348 108.800 -0.513 0.000 2.402 665 G HA2 -0.286 3.675 3.960 0.001 0.000 0.216 665 G HA3 -0.286 3.675 3.960 0.001 0.000 0.216 665 G C 1.464 176.260 174.900 -0.173 0.000 1.162 665 G CA 0.546 45.524 45.100 -0.204 0.000 0.777 665 G HN 0.387 nan 8.290 nan 0.000 0.539 666 Q N -0.755 118.850 119.800 -0.325 0.000 2.020 666 Q HA -0.123 4.217 4.340 0.001 0.000 0.198 666 Q C 2.292 178.247 176.000 -0.074 0.000 0.974 666 Q CA 1.120 56.798 55.803 -0.207 0.000 0.829 666 Q CB -0.248 28.320 28.738 -0.283 0.000 0.894 666 Q HN 0.523 nan 8.270 nan 0.000 0.433 667 Y N 0.460 120.691 120.300 -0.116 0.000 2.384 667 Y HA -0.111 4.440 4.550 0.001 0.000 0.289 667 Y C 2.212 178.115 175.900 0.005 0.000 1.152 667 Y CA 1.196 59.252 58.100 -0.074 0.000 1.258 667 Y CB -0.426 37.934 38.460 -0.166 0.000 0.979 667 Y HN 0.259 nan 8.280 nan 0.000 0.549 668 S N -1.856 113.927 115.700 0.139 0.000 2.650 668 S HA 0.194 4.665 4.470 0.001 0.000 0.240 668 S C 1.449 176.126 174.600 0.128 0.000 1.007 668 S CA -0.403 57.897 58.200 0.167 0.000 0.984 668 S CB 0.205 63.551 63.200 0.244 0.000 0.910 668 S HN 0.122 nan 8.310 nan 0.000 0.509 669 K N 2.475 122.930 120.400 0.091 0.000 2.148 669 K HA 0.010 4.331 4.320 0.001 0.000 0.204 669 K C 0.831 177.475 176.600 0.074 0.000 1.050 669 K CA 1.613 57.944 56.287 0.073 0.000 0.942 669 K CB -0.304 32.226 32.500 0.050 0.000 0.724 669 K HN 0.295 nan 8.250 nan 0.000 0.446 670 D N 0.298 120.747 120.400 0.081 0.000 2.328 670 D HA -0.077 4.564 4.640 0.001 0.000 0.226 670 D C -0.481 175.867 176.300 0.081 0.000 1.066 670 D CA 0.172 54.217 54.000 0.074 0.000 0.861 670 D CB -0.527 40.317 40.800 0.073 0.000 0.912 670 D HN 0.408 nan 8.370 nan 0.000 0.521 671 N N 1.890 120.644 118.700 0.090 0.000 2.678 671 N HA -0.202 4.539 4.740 0.001 0.000 0.268 671 N C -0.460 175.103 175.510 0.088 0.000 1.010 671 N CA 0.105 53.209 53.050 0.089 0.000 0.784 671 N CB -0.215 38.315 38.487 0.070 0.000 0.905 671 N HN 0.337 nan 8.380 nan 0.000 0.552 672 E N 0.134 120.397 120.200 0.105 0.000 2.397 672 E HA 0.092 4.443 4.350 0.001 0.000 0.254 672 E C 0.189 176.844 176.600 0.092 0.000 1.231 672 E CA -0.330 56.131 56.400 0.101 0.000 0.954 672 E CB 0.678 30.453 29.700 0.125 0.000 1.024 672 E HN 0.264 nan 8.360 nan 0.000 0.481 673 S N 0.475 116.224 115.700 0.081 0.000 2.528 673 S HA 0.141 4.612 4.470 0.001 0.000 0.277 673 S C 0.272 174.917 174.600 0.075 0.000 1.297 673 S CA -0.443 57.800 58.200 0.072 0.000 1.052 673 S CB 0.093 63.329 63.200 0.061 0.000 0.917 673 S HN 0.388 nan 8.310 nan 0.000 0.492 674 L N 3.640 124.907 121.223 0.074 0.000 3.017 674 L HA 0.360 4.701 4.340 0.001 0.000 0.255 674 L C -0.116 176.790 176.870 0.061 0.000 1.247 674 L CA -0.196 54.690 54.840 0.075 0.000 1.038 674 L CB 0.196 42.309 42.059 0.088 0.000 1.380 674 L HN 0.569 nan 8.230 nan 0.000 0.548 675 D N 0.932 121.365 120.400 0.053 0.000 2.317 675 D HA 0.089 4.730 4.640 0.001 0.000 0.234 675 D C 0.710 177.033 176.300 0.038 0.000 1.112 675 D CA -0.094 53.932 54.000 0.044 0.000 0.840 675 D CB 0.420 41.245 40.800 0.042 0.000 1.078 675 D HN 0.167 nan 8.370 nan 0.000 0.486 676 N N 2.685 121.406 118.700 0.034 0.000 2.714 676 N HA -0.251 4.489 4.740 0.001 0.000 0.252 676 N C -1.206 174.321 175.510 0.028 0.000 1.014 676 N CA 0.712 53.779 53.050 0.027 0.000 0.735 676 N CB -0.417 38.083 38.487 0.022 0.000 0.924 676 N HN 0.453 nan 8.380 nan 0.000 0.540 677 T N -0.898 113.677 114.554 0.034 0.000 2.838 677 T HA 0.147 4.498 4.350 0.001 0.000 0.292 677 T C -1.503 173.218 174.700 0.036 0.000 1.113 677 T CA -0.631 61.489 62.100 0.034 0.000 1.008 677 T CB 1.528 70.420 68.868 0.041 0.000 1.259 677 T HN 0.183 nan 8.240 nan 0.000 0.520 678 D N 1.556 121.976 120.400 0.033 0.000 2.363 678 D HA 0.443 5.083 4.640 0.001 0.000 0.263 678 D C -0.180 176.162 176.300 0.070 0.000 1.258 678 D CA 0.068 54.089 54.000 0.034 0.000 0.907 678 D CB 0.549 41.358 40.800 0.016 0.000 1.107 678 D HN 0.708 nan 8.370 nan 0.000 0.495 679 A N 3.240 126.104 122.820 0.074 0.000 2.306 679 A HA 0.622 4.943 4.320 0.001 0.000 0.330 679 A C -0.669 176.982 177.584 0.112 0.000 1.146 679 A CA -0.632 51.468 52.037 0.105 0.000 0.827 679 A CB 1.493 20.554 19.000 0.101 0.000 1.178 679 A HN 0.362 nan 8.150 nan 0.000 0.490 680 V N 2.143 122.148 119.914 0.150 0.000 2.443 680 V HA 0.345 4.465 4.120 0.001 0.000 0.293 680 V C -0.398 175.753 176.094 0.096 0.000 1.021 680 V CA -0.513 61.829 62.300 0.071 0.000 0.848 680 V CB 1.431 33.297 31.823 0.072 0.000 0.998 680 V HN 0.666 nan 8.190 nan 0.000 0.424 681 V N 4.135 124.044 119.914 -0.010 0.000 2.509 681 V HA 0.455 4.576 4.120 0.001 0.000 0.284 681 V C -0.888 175.204 176.094 -0.004 0.000 1.047 681 V CA -0.420 61.947 62.300 0.111 0.000 0.952 681 V CB 1.498 33.376 31.823 0.091 0.000 0.988 681 V HN 0.897 nan 8.190 nan 0.000 0.469 682 W N 4.661 126.092 121.300 0.218 0.000 2.475 682 W HA 0.705 5.365 4.660 0.001 0.000 0.320 682 W C -0.265 176.434 176.519 0.299 0.000 1.022 682 W CA -0.625 56.860 57.345 0.233 0.000 1.240 682 W CB 1.167 30.741 29.460 0.191 0.000 1.328 682 W HN 0.280 nan 8.180 nan 0.000 0.439 683 M N 3.317 123.191 119.600 0.456 0.000 2.205 683 M HA 0.437 4.918 4.480 0.001 0.000 0.344 683 M C -0.248 176.314 176.300 0.438 0.000 1.085 683 M CA -0.247 55.293 55.300 0.400 0.000 1.001 683 M CB 1.655 34.434 32.600 0.298 0.000 1.626 683 M HN 0.229 nan 8.290 nan 0.000 0.442 684 T N 1.461 116.267 114.554 0.420 0.000 2.797 684 T HA 0.502 4.852 4.350 0.001 0.000 0.279 684 T C -0.374 174.524 174.700 0.331 0.000 0.991 684 T CA -0.476 61.857 62.100 0.387 0.000 0.979 684 T CB 1.512 70.636 68.868 0.427 0.000 0.943 684 T HN 0.681 nan 8.240 nan 0.000 0.444 685 T N 1.879 116.638 114.554 0.343 0.000 2.991 685 T HA 0.709 5.059 4.350 0.001 0.000 0.303 685 T C -0.279 174.634 174.700 0.356 0.000 1.015 685 T CA -0.357 61.947 62.100 0.342 0.000 1.007 685 T CB 0.961 70.064 68.868 0.391 0.000 1.034 685 T HN 0.810 nan 8.240 nan 0.000 0.446 686 G N 1.784 110.734 108.800 0.251 0.000 2.949 686 G HA2 0.829 4.790 3.960 0.001 0.000 0.285 686 G HA3 0.829 4.790 3.960 0.001 0.000 0.285 686 G C -0.745 174.265 174.900 0.183 0.000 1.395 686 G CA -0.463 44.764 45.100 0.213 0.000 0.901 686 G HN 1.048 nan 8.290 nan 0.000 0.519 687 T N -3.190 111.455 114.554 0.151 0.000 2.900 687 T HA 0.647 4.998 4.350 0.001 0.000 0.303 687 T C -0.896 173.802 174.700 -0.003 0.000 1.142 687 T CA -0.599 61.569 62.100 0.112 0.000 1.007 687 T CB 1.855 70.846 68.868 0.204 0.000 1.156 687 T HN 0.444 nan 8.240 nan 0.000 0.490 688 T N 2.142 116.658 114.554 -0.062 0.000 2.756 688 T HA 0.345 4.695 4.350 0.001 0.000 0.290 688 T C -0.664 173.913 174.700 -0.205 0.000 0.985 688 T CA -0.411 61.602 62.100 -0.146 0.000 0.955 688 T CB 0.046 68.844 68.868 -0.116 0.000 0.930 688 T HN 0.780 nan 8.240 nan 0.000 0.451 689 H N 3.353 122.124 119.070 -0.498 0.000 2.641 689 H HA 0.519 5.075 4.556 0.001 0.000 0.295 689 H C -0.915 174.156 175.328 -0.429 0.000 1.070 689 H CA -0.711 54.960 56.048 -0.628 0.000 1.257 689 H CB 0.426 29.697 29.762 -0.818 0.000 1.393 689 H HN 0.291 nan 8.280 nan 0.000 0.464 690 V N 5.310 125.216 119.914 -0.013 0.000 2.350 690 V HA 0.325 4.445 4.120 0.001 0.000 0.276 690 V C 0.556 176.707 176.094 0.094 0.000 1.028 690 V CA -0.536 61.746 62.300 -0.030 0.000 0.860 690 V CB 0.681 32.487 31.823 -0.028 0.000 0.990 690 V HN 0.924 nan 8.190 nan 0.000 0.453 691 A N 6.843 129.653 122.820 -0.016 0.000 2.366 691 A HA 0.757 5.077 4.320 0.001 0.000 0.250 691 A C 0.393 178.034 177.584 0.095 0.000 1.099 691 A CA -0.115 51.967 52.037 0.074 0.000 0.794 691 A CB 0.396 19.372 19.000 -0.040 0.000 1.056 691 A HN 0.997 nan 8.150 nan 0.000 0.499 692 R N -1.197 119.385 120.500 0.136 0.000 2.710 692 R HA 0.630 4.971 4.340 0.001 0.000 0.270 692 R C 0.330 176.700 176.300 0.117 0.000 1.021 692 R CA -0.226 55.934 56.100 0.101 0.000 0.889 692 R CB 1.192 31.557 30.300 0.108 0.000 1.243 692 R HN 0.744 nan 8.270 nan 0.000 0.464 693 A N 0.984 123.858 122.820 0.090 0.000 2.024 693 A HA -0.166 4.154 4.320 0.001 0.000 0.220 693 A C 1.346 179.018 177.584 0.146 0.000 1.164 693 A CA 1.750 53.856 52.037 0.115 0.000 0.643 693 A CB -0.571 18.474 19.000 0.076 0.000 0.806 693 A HN 0.818 nan 8.150 nan 0.000 0.451 694 E N 0.306 120.576 120.200 0.117 0.000 2.401 694 E HA -0.119 4.231 4.350 0.001 0.000 0.199 694 E C 1.246 177.917 176.600 0.117 0.000 1.023 694 E CA 1.187 57.647 56.400 0.100 0.000 0.859 694 E CB -0.140 29.605 29.700 0.076 0.000 0.780 694 E HN 0.808 nan 8.360 nan 0.000 0.523 695 E N -0.983 119.322 120.200 0.174 0.000 2.476 695 E HA 0.046 4.396 4.350 0.001 0.000 0.196 695 E C -0.243 176.517 176.600 0.266 0.000 1.029 695 E CA -0.261 56.255 56.400 0.194 0.000 0.896 695 E CB 0.442 30.300 29.700 0.263 0.000 1.012 695 E HN 0.172 nan 8.360 nan 0.000 0.475 696 W N 2.096 123.414 121.300 0.031 0.000 2.915 696 W HA 0.247 4.908 4.660 0.001 0.000 0.337 696 W C -2.239 174.295 176.519 0.025 0.000 1.102 696 W CA -2.160 55.199 57.345 0.023 0.000 1.224 696 W CB 1.694 31.169 29.460 0.025 0.000 1.416 696 W HN -0.157 nan 8.180 nan 0.000 0.503 697 P HA 0.034 nan 4.420 nan 0.000 0.230 697 P C 0.134 177.022 177.300 -0.687 0.000 1.158 697 P CA 0.980 63.315 63.100 -1.275 0.000 0.769 697 P CB 1.409 32.587 31.700 -0.869 0.000 0.807 698 I N -0.450 119.939 120.570 -0.303 0.000 2.619 698 I HA 0.353 4.524 4.170 0.001 0.000 0.292 698 I C -0.768 175.280 176.117 -0.114 0.000 1.100 698 I CA -1.777 59.373 61.300 -0.250 0.000 1.043 698 I CB 2.775 40.625 38.000 -0.249 0.000 1.239 698 I HN -0.279 nan 8.210 nan 0.000 0.420 699 M N 9.525 129.060 119.600 -0.108 0.000 2.108 699 M HA 0.518 4.999 4.480 0.001 0.000 0.354 699 M C -2.491 173.750 176.300 -0.097 0.000 1.229 699 M CA -1.347 53.927 55.300 -0.044 0.000 1.081 699 M CB 1.020 33.633 32.600 0.021 0.000 1.606 699 M HN 0.233 nan 8.290 nan 0.000 0.467 700 P HA 0.066 nan 4.420 nan 0.000 0.268 700 P C -0.890 176.327 177.300 -0.139 0.000 1.204 700 P CA 0.050 63.101 63.100 -0.082 0.000 0.768 700 P CB 0.431 32.105 31.700 -0.044 0.000 0.842 701 T N 3.851 118.313 114.554 -0.154 0.000 2.866 701 T HA 0.018 4.369 4.350 0.001 0.000 0.293 701 T C 0.244 174.761 174.700 -0.303 0.000 1.005 701 T CA 0.304 62.234 62.100 -0.283 0.000 1.162 701 T CB -0.179 68.543 68.868 -0.243 0.000 0.968 701 T HN 0.331 nan 8.240 nan 0.000 0.530 702 E N 2.284 122.198 120.200 -0.476 0.000 2.183 702 E HA 0.348 4.699 4.350 0.001 0.000 0.271 702 E C -0.860 175.434 176.600 -0.510 0.000 0.919 702 E CA -0.489 55.654 56.400 -0.429 0.000 0.781 702 E CB 1.663 30.991 29.700 -0.621 0.000 1.140 702 E HN 0.598 nan 8.360 nan 0.000 0.402 703 W N 1.278 122.433 121.300 -0.241 0.000 2.799 703 W HA 0.514 5.175 4.660 0.001 0.000 0.349 703 W C -0.347 175.942 176.519 -0.384 0.000 1.100 703 W CA -0.803 56.349 57.345 -0.321 0.000 1.174 703 W CB 1.445 30.698 29.460 -0.345 0.000 1.427 703 W HN 0.196 nan 8.180 nan 0.000 0.547 704 V N -0.625 119.159 119.914 -0.217 0.000 2.709 704 V HA 0.595 4.716 4.120 0.001 0.000 0.308 704 V C -0.878 174.975 176.094 -0.403 0.000 1.062 704 V CA -0.936 61.238 62.300 -0.210 0.000 0.901 704 V CB 1.701 33.534 31.823 0.017 0.000 1.003 704 V HN 0.629 nan 8.190 nan 0.000 0.425 705 H N 2.690 121.791 119.070 0.051 0.000 2.495 705 H HA 0.795 5.352 4.556 0.001 0.000 0.348 705 H C -0.103 175.191 175.328 -0.056 0.000 1.113 705 H CA 0.078 56.102 56.048 -0.040 0.000 1.195 705 H CB 2.343 32.056 29.762 -0.082 0.000 1.521 705 H HN 1.038 nan 8.280 nan 0.000 0.509 706 T N 0.182 114.730 114.554 -0.010 0.000 2.916 706 T HA 0.664 5.015 4.350 0.001 0.000 0.292 706 T C -0.765 173.858 174.700 -0.129 0.000 1.064 706 T CA -0.878 61.181 62.100 -0.068 0.000 1.011 706 T CB 2.015 70.810 68.868 -0.120 0.000 1.152 706 T HN 0.254 nan 8.240 nan 0.000 0.510 707 L N 0.550 121.698 121.223 -0.124 0.000 2.506 707 L HA 0.671 5.012 4.340 0.001 0.000 0.257 707 L C -1.809 175.004 176.870 -0.096 0.000 0.964 707 L CA -0.764 53.996 54.840 -0.133 0.000 0.836 707 L CB 2.246 44.246 42.059 -0.099 0.000 1.384 707 L HN 0.812 nan 8.230 nan 0.000 0.410 708 L N 4.013 125.188 121.223 -0.081 0.000 2.377 708 L HA 0.542 4.883 4.340 0.001 0.000 0.270 708 L C -0.780 176.156 176.870 0.110 0.000 0.991 708 L CA -0.619 54.254 54.840 0.055 0.000 0.851 708 L CB 1.476 43.571 42.059 0.060 0.000 1.218 708 L HN 0.492 nan 8.230 nan 0.000 0.420 709 K N 4.435 124.862 120.400 0.045 0.000 2.221 709 K HA 0.488 4.808 4.320 0.001 0.000 0.258 709 K C -2.560 173.770 176.600 -0.450 0.000 0.944 709 K CA -1.815 54.404 56.287 -0.113 0.000 0.823 709 K CB 1.960 34.442 32.500 -0.031 0.000 1.113 709 K HN 0.215 nan 8.250 nan 0.000 0.431 710 P HA -0.068 nan 4.420 nan 0.000 0.271 710 P C -0.978 176.150 177.300 -0.286 0.000 1.226 710 P CA -0.053 62.406 63.100 -1.069 0.000 0.765 710 P CB 0.524 31.790 31.700 -0.724 0.000 0.835 711 W N 6.124 127.241 121.300 -0.306 0.000 2.391 711 W HA 0.168 4.828 4.660 0.001 0.000 0.312 711 W C -0.290 176.203 176.519 -0.044 0.000 1.003 711 W CA -0.300 56.976 57.345 -0.115 0.000 1.375 711 W CB -0.053 29.361 29.460 -0.077 0.000 1.253 711 W HN 0.542 nan 8.180 nan 0.000 0.416 712 N N 3.511 122.158 118.700 -0.088 0.000 2.741 712 N HA -0.324 4.417 4.740 0.001 0.000 0.251 712 N C 0.346 175.862 175.510 0.009 0.000 1.112 712 N CA 1.471 54.505 53.050 -0.026 0.000 0.750 712 N CB -1.983 36.536 38.487 0.053 0.000 1.119 712 N HN 0.533 nan 8.380 nan 0.000 0.561 713 F N -0.177 119.640 119.950 -0.221 0.000 2.293 713 F HA 0.201 4.728 4.527 0.001 0.000 0.297 713 F C 0.708 176.165 175.800 -0.571 0.000 1.089 713 F CA 0.741 58.493 58.000 -0.412 0.000 1.377 713 F CB 0.225 38.846 39.000 -0.632 0.000 1.051 713 F HN -0.032 nan 8.300 nan 0.000 0.511 714 F N -0.036 119.935 119.950 0.036 0.000 2.572 714 F HA 0.284 4.812 4.527 0.001 0.000 0.342 714 F C 1.221 176.978 175.800 -0.072 0.000 1.064 714 F CA -1.008 56.966 58.000 -0.043 0.000 1.008 714 F CB 0.348 39.322 39.000 -0.043 0.000 1.303 714 F HN -0.312 nan 8.300 nan 0.000 0.492 715 D N -0.468 120.027 120.400 0.159 0.000 2.389 715 D HA 0.088 4.729 4.640 0.001 0.000 0.206 715 D C -0.004 176.304 176.300 0.013 0.000 1.055 715 D CA 0.558 54.585 54.000 0.044 0.000 0.856 715 D CB 0.628 41.441 40.800 0.020 0.000 0.957 715 D HN 0.746 nan 8.370 nan 0.000 0.509 716 E N -1.249 118.963 120.200 0.021 0.000 2.415 716 E HA 0.225 4.576 4.350 0.001 0.000 0.271 716 E C -1.113 175.445 176.600 -0.069 0.000 1.094 716 E CA -0.819 55.557 56.400 -0.040 0.000 0.881 716 E CB 0.248 29.916 29.700 -0.053 0.000 1.581 716 E HN -0.342 nan 8.360 nan 0.000 0.460 717 T N 2.768 117.258 114.554 -0.106 0.000 2.738 717 T HA 0.024 4.374 4.350 0.001 0.000 0.277 717 T C -1.815 172.802 174.700 -0.139 0.000 0.981 717 T CA -0.326 61.701 62.100 -0.122 0.000 1.211 717 T CB 0.075 68.837 68.868 -0.177 0.000 0.932 717 T HN 0.310 nan 8.240 nan 0.000 0.522 718 P HA -0.078 nan 4.420 nan 0.000 0.221 718 P C 1.384 178.573 177.300 -0.186 0.000 1.145 718 P CA 0.888 63.748 63.100 -0.401 0.000 0.795 718 P CB 0.053 31.387 31.700 -0.608 0.000 0.775 719 T N -5.113 109.422 114.554 -0.032 0.000 3.134 719 T HA 0.229 4.580 4.350 0.001 0.000 0.260 719 T C 1.441 176.216 174.700 0.126 0.000 1.027 719 T CA -0.230 61.903 62.100 0.055 0.000 0.913 719 T CB -0.830 68.107 68.868 0.115 0.000 1.046 719 T HN -0.015 nan 8.240 nan 0.000 0.553 720 L N 1.224 122.486 121.223 0.065 0.000 2.127 720 L HA 0.211 4.552 4.340 0.001 0.000 0.211 720 L C 1.615 178.516 176.870 0.051 0.000 1.089 720 L CA 1.452 56.330 54.840 0.064 0.000 0.757 720 L CB -0.865 41.176 42.059 -0.030 0.000 0.899 720 L HN 0.780 nan 8.230 nan 0.000 0.434 721 G N -1.795 107.010 108.800 0.010 0.000 2.423 721 G HA2 0.097 4.058 3.960 0.001 0.000 0.684 721 G HA3 0.097 4.058 3.960 0.001 0.000 0.684 721 G C -0.689 174.202 174.900 -0.015 0.000 1.309 721 G CA -0.619 44.479 45.100 -0.003 0.000 0.950 721 G HN 0.323 nan 8.290 nan 0.000 0.587 722 A N -0.357 122.453 122.820 -0.017 0.000 2.488 722 A HA 0.566 4.887 4.320 0.001 0.000 0.249 722 A C 0.582 178.159 177.584 -0.011 0.000 1.083 722 A CA 0.116 52.144 52.037 -0.016 0.000 0.768 722 A CB 0.664 19.654 19.000 -0.017 0.000 1.017 722 A HN 1.944 nan 8.150 nan 0.000 0.496 723 L N 2.506 123.722 121.223 -0.011 0.000 2.477 723 L HA 0.111 4.452 4.340 0.001 0.000 0.272 723 L C 1.587 178.451 176.870 -0.009 0.000 1.157 723 L CA 0.592 55.426 54.840 -0.010 0.000 0.889 723 L CB 0.300 42.352 42.059 -0.010 0.000 1.158 723 L HN 0.883 nan 8.230 nan 0.000 0.473 724 K N 3.452 123.847 120.400 -0.008 0.000 2.217 724 K HA -0.022 4.299 4.320 0.001 0.000 0.202 724 K C 0.162 176.758 176.600 -0.007 0.000 1.051 724 K CA 1.128 57.411 56.287 -0.007 0.000 0.952 724 K CB 0.325 32.822 32.500 -0.006 0.000 0.736 724 K HN 0.613 nan 8.250 nan 0.000 0.453 725 K N 0.000 120.395 120.400 -0.008 0.000 2.780 725 K HA 0.000 4.321 4.320 0.001 0.000 0.191 725 K CA 0.000 56.282 56.287 -0.008 0.000 0.838 725 K CB 0.000 32.495 32.500 -0.008 0.000 1.064 725 K HN 0.000 nan 8.250 nan 0.000 0.543