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 1c9l_1_B DATA FIRST_RESID 3 DATA SEQUENCE QILPIRFQEH LQLQNLGINP ANIGFSTLTM ESDKFICIRE KVGEQAQVVI DATA SEQUENCE IDMNDPSNPI RRPISADSAI MNPASKVIAL KAGKTLQIFN IEMKSKMKAH DATA SEQUENCE TMTDDVTFWK WISLNTVALV TDNAVYHWSM EGESQPVKMF DRHSSLAGCQ DATA SEQUENCE IINYRTDAKQ KWLLLTGISA QQNRVVGAMQ LYSVDRKVSQ PIEGHAASFA DATA SEQUENCE QFKMEGNAEE STLFCFAVRG QAGGKLHIIE VGTPPTGNQP FPKKAVDVFF DATA SEQUENCE PPEAQNDFPV AMQISEKHDV VFLITKYGYI HLYDLETGTC IYMNRISGET DATA SEQUENCE IFVTAPHEAT AGIIGVNRKG QVLSVCVEEE NIIPYITNVL QNPDLALRMA DATA SEQUENCE VRNNLAG 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 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 176.023 176.000 0.038 0.000 1.003 3 Q CA 0.000 55.820 55.803 0.028 0.000 1.022 3 Q CB 0.000 28.744 28.738 0.010 0.000 1.108 4 I N -2.529 118.086 120.570 0.075 0.000 2.924 4 I HA 0.715 4.886 4.170 0.002 0.000 0.316 4 I C -0.569 175.565 176.117 0.027 0.000 1.014 4 I CA -1.333 59.996 61.300 0.049 0.000 1.106 4 I CB 1.158 39.187 38.000 0.048 0.000 1.311 4 I HN -0.228 nan 8.210 nan 0.000 0.502 5 L N 2.726 123.858 121.223 -0.151 0.000 2.381 5 L HA 0.527 4.867 4.340 0.002 0.000 0.268 5 L C -1.969 174.573 176.870 -0.546 0.000 0.997 5 L CA -1.738 52.836 54.840 -0.445 0.000 0.818 5 L CB 1.580 43.425 42.059 -0.357 0.000 1.310 5 L HN 0.368 nan 8.230 nan 0.000 0.416 6 P HA -0.053 nan 4.420 nan 0.000 0.215 6 P C 0.438 177.481 177.300 -0.429 0.000 1.157 6 P CA 1.204 63.894 63.100 -0.684 0.000 0.863 6 P CB 0.188 31.382 31.700 -0.842 0.000 0.787 7 I N -4.192 116.043 120.570 -0.558 0.000 3.640 7 I HA 0.479 4.650 4.170 0.002 0.000 0.288 7 I C 0.345 176.351 176.117 -0.185 0.000 1.248 7 I CA -0.991 60.134 61.300 -0.291 0.000 0.911 7 I CB 0.795 38.654 38.000 -0.234 0.000 1.533 7 I HN -0.341 nan 8.210 nan 0.000 0.686 8 R N 1.735 122.195 120.500 -0.066 0.000 2.912 8 R HA 0.277 4.618 4.340 0.002 0.000 0.278 8 R C -2.048 174.270 176.300 0.030 0.000 1.533 8 R CA -0.475 55.611 56.100 -0.024 0.000 1.061 8 R CB 1.094 31.372 30.300 -0.036 0.000 1.313 8 R HN 0.740 nan 8.270 nan 0.000 0.443 9 F N 3.070 122.964 119.950 -0.093 0.000 2.406 9 F HA 0.392 4.920 4.527 0.002 0.000 0.327 9 F C -0.160 175.575 175.800 -0.108 0.000 1.153 9 F CA 0.440 58.388 58.000 -0.086 0.000 1.218 9 F CB 0.905 39.861 39.000 -0.072 0.000 1.215 9 F HN 0.552 nan 8.300 nan 0.000 0.570 10 Q N 3.653 122.947 119.800 -0.843 0.000 2.541 10 Q HA 0.189 4.530 4.340 0.002 0.000 0.259 10 Q C -2.105 173.425 176.000 -0.784 0.000 0.974 10 Q CA -0.828 54.639 55.803 -0.561 0.000 0.955 10 Q CB 1.356 29.824 28.738 -0.451 0.000 1.517 10 Q HN 0.804 nan 8.270 nan 0.000 0.412 11 E N 3.147 123.091 120.200 -0.427 0.000 2.197 11 E HA 0.246 4.597 4.350 0.002 0.000 0.281 11 E C -0.310 176.069 176.600 -0.369 0.000 0.995 11 E CA -0.315 55.913 56.400 -0.286 0.000 0.808 11 E CB 0.770 30.447 29.700 -0.039 0.000 1.093 11 E HN 0.755 nan 8.360 nan 0.000 0.394 12 H N 3.719 122.701 119.070 -0.146 0.000 2.439 12 H HA 0.266 4.823 4.556 0.002 0.000 0.299 12 H C 0.313 175.602 175.328 -0.066 0.000 1.033 12 H CA 0.546 56.530 56.048 -0.107 0.000 1.348 12 H CB 0.822 30.507 29.762 -0.128 0.000 1.449 12 H HN 0.353 nan 8.280 nan 0.000 0.544 13 L N 0.351 121.612 121.223 0.064 0.000 2.600 13 L HA 0.319 4.660 4.340 0.002 0.000 0.257 13 L C -0.848 176.039 176.870 0.028 0.000 1.048 13 L CA -0.791 54.069 54.840 0.034 0.000 0.869 13 L CB 2.523 44.602 42.059 0.033 0.000 1.482 13 L HN -0.122 nan 8.230 nan 0.000 0.408 14 Q N 1.768 121.584 119.800 0.027 0.000 2.932 14 Q HA 0.358 4.699 4.340 0.002 0.000 0.248 14 Q C 0.619 176.640 176.000 0.035 0.000 0.982 14 Q CA -0.194 55.629 55.803 0.033 0.000 0.730 14 Q CB 1.724 30.479 28.738 0.028 0.000 1.249 14 Q HN 0.645 nan 8.270 nan 0.000 0.476 15 L N 0.221 121.469 121.223 0.043 0.000 2.283 15 L HA -0.317 4.024 4.340 0.002 0.000 0.217 15 L C 2.034 178.929 176.870 0.043 0.000 1.104 15 L CA 1.597 56.465 54.840 0.046 0.000 0.772 15 L CB -0.149 41.948 42.059 0.064 0.000 0.899 15 L HN 0.537 nan 8.230 nan 0.000 0.439 16 Q N -0.234 119.591 119.800 0.042 0.000 2.123 16 Q HA -0.137 4.204 4.340 0.002 0.000 0.199 16 Q C 1.757 177.774 176.000 0.028 0.000 0.966 16 Q CA 1.172 56.997 55.803 0.036 0.000 0.845 16 Q CB -0.067 28.693 28.738 0.037 0.000 0.907 16 Q HN 0.646 nan 8.270 nan 0.000 0.439 17 N N 0.105 118.821 118.700 0.026 0.000 2.585 17 N HA -0.090 4.651 4.740 0.002 0.000 0.188 17 N C 0.982 176.503 175.510 0.019 0.000 1.102 17 N CA 0.373 53.435 53.050 0.020 0.000 0.920 17 N CB 0.143 38.640 38.487 0.017 0.000 0.963 17 N HN 0.201 nan 8.380 nan 0.000 0.447 18 L N -0.902 120.334 121.223 0.022 0.000 2.640 18 L HA 0.252 4.593 4.340 0.002 0.000 0.230 18 L C 1.151 178.034 176.870 0.022 0.000 1.123 18 L CA -0.100 54.752 54.840 0.021 0.000 0.900 18 L CB 0.387 42.460 42.059 0.023 0.000 1.146 18 L HN 0.149 nan 8.230 nan 0.000 0.484 19 G N 1.002 109.816 108.800 0.023 0.000 2.141 19 G HA2 -0.248 3.713 3.960 0.002 0.000 0.231 19 G HA3 -0.248 3.713 3.960 0.002 0.000 0.231 19 G C -0.065 174.850 174.900 0.025 0.000 0.984 19 G CA -0.435 44.678 45.100 0.022 0.000 0.660 19 G HN 0.151 nan 8.290 nan 0.000 0.525 20 I N 1.598 122.187 120.570 0.032 0.000 2.416 20 I HA 0.229 4.400 4.170 0.002 0.000 0.288 20 I C 0.743 176.882 176.117 0.036 0.000 1.051 20 I CA -1.101 60.221 61.300 0.037 0.000 1.375 20 I CB 0.956 38.984 38.000 0.048 0.000 1.407 20 I HN 0.201 nan 8.210 nan 0.000 0.516 21 N N 8.969 127.687 118.700 0.031 0.000 2.447 21 N HA 0.021 4.762 4.740 0.002 0.000 0.263 21 N C -1.839 173.690 175.510 0.033 0.000 1.226 21 N CA -1.145 51.922 53.050 0.028 0.000 0.906 21 N CB 1.113 39.614 38.487 0.023 0.000 1.060 21 N HN 0.271 nan 8.380 nan 0.000 0.468 22 P HA -0.081 nan 4.420 nan 0.000 0.223 22 P C 0.425 177.740 177.300 0.025 0.000 1.144 22 P CA 1.002 64.124 63.100 0.037 0.000 0.783 22 P CB 0.189 31.911 31.700 0.036 0.000 0.771 23 A N -0.854 121.976 122.820 0.018 0.000 2.167 23 A HA -0.047 4.274 4.320 0.002 0.000 0.214 23 A C 1.656 179.239 177.584 -0.002 0.000 1.151 23 A CA 0.979 53.020 52.037 0.007 0.000 0.735 23 A CB -0.632 18.374 19.000 0.011 0.000 0.802 23 A HN 0.141 nan 8.150 nan 0.000 0.467 24 N N -0.269 118.437 118.700 0.009 0.000 2.205 24 N HA 0.197 4.938 4.740 0.002 0.000 0.201 24 N C -0.095 175.424 175.510 0.015 0.000 1.128 24 N CA 0.126 53.182 53.050 0.010 0.000 0.867 24 N CB 0.510 39.012 38.487 0.026 0.000 0.996 24 N HN 0.416 nan 8.380 nan 0.000 0.503 25 I N 1.473 122.052 120.570 0.014 0.000 2.206 25 I HA 0.304 4.475 4.170 0.002 0.000 0.292 25 I C 0.556 176.538 176.117 -0.226 0.000 1.156 25 I CA -0.353 60.987 61.300 0.067 0.000 1.356 25 I CB -0.009 38.075 38.000 0.140 0.000 1.494 25 I HN -0.085 nan 8.210 nan 0.000 0.601 26 G N 1.611 110.135 108.800 -0.459 0.000 2.682 26 G HA2 0.266 4.227 3.960 0.002 0.000 0.290 26 G HA3 0.266 4.227 3.960 0.002 0.000 0.290 26 G C -0.185 174.292 174.900 -0.705 0.000 1.425 26 G CA -0.554 43.929 45.100 -1.027 0.000 0.807 26 G HN 0.198 nan 8.290 nan 0.000 0.482 27 F N 1.430 120.993 119.950 -0.644 0.000 2.087 27 F HA -0.183 4.345 4.527 0.001 0.000 0.299 27 F C 2.715 178.580 175.800 0.109 0.000 1.100 27 F CA 2.918 60.938 58.000 0.034 0.000 1.226 27 F CB -0.022 39.041 39.000 0.105 0.000 0.983 27 F HN 0.409 nan 8.300 nan 0.000 0.479 28 S N -2.172 113.531 115.700 0.004 0.000 2.631 28 S HA 0.063 4.533 4.470 0.002 0.000 0.217 28 S C 1.144 175.725 174.600 -0.032 0.000 0.958 28 S CA 0.620 58.783 58.200 -0.063 0.000 0.920 28 S CB -0.743 62.490 63.200 0.054 0.000 0.776 28 S HN 0.560 nan 8.310 nan 0.000 0.517 29 T N -1.950 112.595 114.554 -0.015 0.000 3.046 29 T HA 0.373 4.724 4.350 0.002 0.000 0.270 29 T C -0.027 174.703 174.700 0.051 0.000 0.920 29 T CA -0.416 61.693 62.100 0.015 0.000 0.874 29 T CB 0.133 69.008 68.868 0.011 0.000 1.214 29 T HN 0.276 nan 8.240 nan 0.000 0.536 30 L N 3.821 125.104 121.223 0.099 0.000 2.325 30 L HA 0.733 5.074 4.340 0.002 0.000 0.281 30 L C -0.920 176.068 176.870 0.197 0.000 1.004 30 L CA 0.023 54.975 54.840 0.187 0.000 0.823 30 L CB 1.269 43.536 42.059 0.348 0.000 1.236 30 L HN 0.473 nan 8.230 nan 0.000 0.415 31 T N 2.804 117.427 114.554 0.115 0.000 2.887 31 T HA 0.628 4.979 4.350 0.002 0.000 0.288 31 T C -0.283 174.458 174.700 0.068 0.000 1.021 31 T CA -0.671 61.474 62.100 0.075 0.000 1.000 31 T CB 1.848 70.725 68.868 0.016 0.000 1.034 31 T HN 0.688 nan 8.240 nan 0.000 0.467 32 M N 2.660 122.293 119.600 0.056 0.000 2.400 32 M HA 0.250 4.731 4.480 0.002 0.000 0.241 32 M C 0.355 176.684 176.300 0.049 0.000 1.158 32 M CA -0.487 54.839 55.300 0.043 0.000 0.613 32 M CB 0.861 33.465 32.600 0.006 0.000 1.615 32 M HN 0.693 nan 8.290 nan 0.000 0.371 33 E N 0.756 120.988 120.200 0.053 0.000 2.510 33 E HA -0.007 4.344 4.350 0.002 0.000 0.202 33 E C 0.117 176.745 176.600 0.047 0.000 1.072 33 E CA 0.530 56.968 56.400 0.064 0.000 0.883 33 E CB 0.051 29.792 29.700 0.067 0.000 0.818 33 E HN 0.750 nan 8.360 nan 0.000 0.548 34 S N -0.416 115.308 115.700 0.039 0.000 2.660 34 S HA 0.113 4.584 4.470 0.002 0.000 0.264 34 S C -0.627 173.975 174.600 0.002 0.000 1.131 34 S CA -0.558 57.654 58.200 0.021 0.000 0.846 34 S CB 0.577 63.786 63.200 0.015 0.000 1.151 34 S HN -0.062 nan 8.310 nan 0.000 0.486 35 D N -0.453 119.926 120.400 -0.035 0.000 2.358 35 D HA 0.252 4.893 4.640 0.002 0.000 0.224 35 D C 0.732 176.949 176.300 -0.139 0.000 1.123 35 D CA -0.262 53.695 54.000 -0.073 0.000 0.833 35 D CB 0.131 40.900 40.800 -0.050 0.000 0.946 35 D HN 0.315 nan 8.370 nan 0.000 0.505 36 K N -0.396 119.919 120.400 -0.142 0.000 2.348 36 K HA 0.222 4.543 4.320 0.002 0.000 0.194 36 K C -0.330 175.786 176.600 -0.806 0.000 1.052 36 K CA 0.250 56.286 56.287 -0.418 0.000 1.004 36 K CB 0.676 32.991 32.500 -0.308 0.000 0.873 36 K HN 0.189 nan 8.250 nan 0.000 0.523 37 F N -0.279 119.625 119.950 -0.076 0.000 2.668 37 F HA 0.481 5.009 4.527 0.001 0.000 0.309 37 F C -0.534 175.237 175.800 -0.049 0.000 1.117 37 F CA -1.042 56.921 58.000 -0.062 0.000 0.951 37 F CB 1.536 40.493 39.000 -0.072 0.000 1.323 37 F HN -0.349 nan 8.300 nan 0.000 0.451 38 I N 1.562 122.236 120.570 0.173 0.000 2.533 38 I HA 0.426 4.597 4.170 0.002 0.000 0.290 38 I C -1.479 174.701 176.117 0.105 0.000 1.056 38 I CA -0.479 60.881 61.300 0.100 0.000 1.057 38 I CB 2.106 40.139 38.000 0.057 0.000 1.240 38 I HN 0.497 nan 8.210 nan 0.000 0.423 39 C N 6.908 126.257 119.300 0.082 0.000 2.316 39 C HA 0.613 5.074 4.460 0.002 0.000 0.324 39 C C -0.204 174.824 174.990 0.063 0.000 1.226 39 C CA -0.398 58.657 59.018 0.061 0.000 1.450 39 C CB 0.350 28.109 27.740 0.033 0.000 2.123 39 C HN 0.425 nan 8.230 nan 0.000 0.454 40 I N 3.553 124.158 120.570 0.059 0.000 2.441 40 I HA 0.499 4.670 4.170 0.002 0.000 0.295 40 I C 0.338 176.480 176.117 0.042 0.000 0.994 40 I CA -0.282 61.053 61.300 0.059 0.000 1.144 40 I CB 0.867 38.905 38.000 0.062 0.000 1.314 40 I HN 0.407 nan 8.210 nan 0.000 0.445 41 R N 5.355 125.878 120.500 0.038 0.000 2.255 41 R HA 0.521 4.862 4.340 0.002 0.000 0.326 41 R C -0.667 175.648 176.300 0.025 0.000 0.986 41 R CA -0.573 55.544 56.100 0.029 0.000 0.847 41 R CB 1.247 31.565 30.300 0.030 0.000 1.111 41 R HN 0.602 nan 8.270 nan 0.000 0.452 42 E N 1.699 121.911 120.200 0.020 0.000 2.281 42 E HA 0.255 4.606 4.350 0.002 0.000 0.262 42 E C -0.290 176.318 176.600 0.013 0.000 0.933 42 E CA -0.975 55.435 56.400 0.018 0.000 0.809 42 E CB 1.947 31.658 29.700 0.018 0.000 1.242 42 E HN 0.066 nan 8.360 nan 0.000 0.418 43 K N 1.642 122.049 120.400 0.012 0.000 2.981 43 K HA 0.180 4.501 4.320 0.002 0.000 0.213 43 K C -0.740 175.865 176.600 0.008 0.000 1.154 43 K CA -0.352 55.941 56.287 0.009 0.000 1.111 43 K CB 0.084 32.589 32.500 0.009 0.000 0.975 43 K HN 0.297 nan 8.250 nan 0.000 0.462 44 V N 1.473 121.391 119.914 0.008 0.000 2.568 44 V HA -0.022 4.099 4.120 0.002 0.000 0.270 44 V C 1.281 177.378 176.094 0.005 0.000 0.963 44 V CA 1.203 63.507 62.300 0.007 0.000 1.161 44 V CB -1.237 30.590 31.823 0.006 0.000 0.969 44 V HN 0.807 nan 8.190 nan 0.000 0.464 45 G N 5.169 113.972 108.800 0.005 0.000 2.512 45 G HA2 -0.253 3.708 3.960 0.002 0.000 0.240 45 G HA3 -0.253 3.708 3.960 0.002 0.000 0.240 45 G C 0.293 175.195 174.900 0.004 0.000 1.246 45 G CA 0.345 45.447 45.100 0.004 0.000 0.919 45 G HN 0.751 nan 8.290 nan 0.000 0.577 46 E N 0.619 120.821 120.200 0.002 0.000 2.419 46 E HA 0.254 4.604 4.350 0.002 0.000 0.190 46 E C 0.797 177.397 176.600 0.001 0.000 1.040 46 E CA 0.472 56.873 56.400 0.002 0.000 0.900 46 E CB 0.023 29.724 29.700 0.001 0.000 1.054 46 E HN 0.455 nan 8.360 nan 0.000 0.462 47 Q N 0.599 120.400 119.800 0.000 0.000 2.348 47 Q HA 0.550 4.891 4.340 0.002 0.000 0.265 47 Q C -1.083 174.917 176.000 -0.001 0.000 0.998 47 Q CA -0.661 55.141 55.803 -0.001 0.000 0.831 47 Q CB 1.395 30.132 28.738 -0.003 0.000 1.251 47 Q HN 0.253 nan 8.270 nan 0.000 0.456 48 A N 4.055 126.874 122.820 -0.002 0.000 2.371 48 A HA 0.475 4.796 4.320 0.002 0.000 0.257 48 A C -0.488 177.093 177.584 -0.004 0.000 1.089 48 A CA -0.113 51.924 52.037 0.000 0.000 0.794 48 A CB 0.551 19.552 19.000 0.001 0.000 1.029 48 A HN 0.842 nan 8.150 nan 0.000 0.488 49 Q N -0.342 119.458 119.800 -0.001 0.000 2.575 49 Q HA 0.670 5.011 4.340 0.002 0.000 0.290 49 Q C -1.901 174.100 176.000 0.001 0.000 0.963 49 Q CA -0.994 54.806 55.803 -0.005 0.000 0.783 49 Q CB 1.578 30.313 28.738 -0.005 0.000 1.467 49 Q HN 0.423 nan 8.270 nan 0.000 0.402 50 V N 1.144 121.055 119.914 -0.004 0.000 2.495 50 V HA 0.508 4.629 4.120 0.002 0.000 0.298 50 V C -0.679 175.419 176.094 0.007 0.000 1.031 50 V CA -0.765 61.538 62.300 0.004 0.000 0.871 50 V CB 1.837 33.659 31.823 -0.002 0.000 0.988 50 V HN 0.641 nan 8.190 nan 0.000 0.432 51 V N 6.188 126.114 119.914 0.019 0.000 2.347 51 V HA 0.454 4.574 4.120 0.002 0.000 0.280 51 V C -0.318 175.798 176.094 0.038 0.000 1.021 51 V CA -0.387 61.929 62.300 0.026 0.000 0.847 51 V CB 1.338 33.180 31.823 0.031 0.000 0.990 51 V HN 0.632 nan 8.190 nan 0.000 0.444 52 I N 6.263 126.858 120.570 0.041 0.000 2.353 52 I HA 0.429 4.599 4.170 0.002 0.000 0.293 52 I C 0.013 176.190 176.117 0.099 0.000 0.992 52 I CA -0.025 61.319 61.300 0.073 0.000 1.268 52 I CB 1.400 39.437 38.000 0.061 0.000 1.387 52 I HN 0.402 nan 8.210 nan 0.000 0.478 53 I N 5.091 125.736 120.570 0.126 0.000 2.382 53 I HA 0.214 4.385 4.170 0.002 0.000 0.285 53 I C -0.386 175.779 176.117 0.080 0.000 1.007 53 I CA -0.674 60.677 61.300 0.084 0.000 1.142 53 I CB 1.293 39.324 38.000 0.051 0.000 1.289 53 I HN 0.459 nan 8.210 nan 0.000 0.453 54 D N 7.610 128.028 120.400 0.030 0.000 2.352 54 D HA 0.089 4.730 4.640 0.002 0.000 0.245 54 D C 1.122 177.300 176.300 -0.203 0.000 1.224 54 D CA -0.289 53.620 54.000 -0.151 0.000 0.879 54 D CB 1.045 41.800 40.800 -0.074 0.000 1.057 54 D HN 0.370 nan 8.370 nan 0.000 0.491 55 M N 2.800 122.220 119.600 -0.301 0.000 2.426 55 M HA -0.160 4.321 4.480 0.002 0.000 0.261 55 M C 0.885 177.090 176.300 -0.159 0.000 1.068 55 M CA 0.834 56.013 55.300 -0.202 0.000 1.066 55 M CB -0.597 31.869 32.600 -0.225 0.000 1.399 55 M HN 0.382 nan 8.290 nan 0.000 0.449 56 N N -0.044 118.542 118.700 -0.190 0.000 2.270 56 N HA 0.019 4.760 4.740 0.002 0.000 0.198 56 N C -0.440 175.021 175.510 -0.082 0.000 1.117 56 N CA 0.308 53.282 53.050 -0.126 0.000 0.845 56 N CB 0.577 38.979 38.487 -0.142 0.000 0.980 56 N HN 0.262 nan 8.380 nan 0.000 0.486 57 D N -0.992 119.363 120.400 -0.075 0.000 3.117 57 D HA 0.162 4.803 4.640 0.002 0.000 0.241 57 D C -2.194 174.088 176.300 -0.031 0.000 1.385 57 D CA -0.841 53.134 54.000 -0.042 0.000 0.855 57 D CB 0.905 41.684 40.800 -0.034 0.000 1.498 57 D HN -0.147 nan 8.370 nan 0.000 0.584 58 P HA -0.096 nan 4.420 nan 0.000 0.215 58 P C 1.269 178.568 177.300 -0.002 0.000 1.157 58 P CA 0.823 63.915 63.100 -0.013 0.000 0.868 58 P CB 0.315 32.010 31.700 -0.008 0.000 0.788 59 S N -0.872 114.826 115.700 -0.003 0.000 2.469 59 S HA -0.074 4.396 4.470 0.002 0.000 0.238 59 S C 0.766 175.368 174.600 0.004 0.000 0.998 59 S CA 0.985 59.186 58.200 0.001 0.000 0.957 59 S CB -0.864 62.336 63.200 -0.001 0.000 0.764 59 S HN 0.212 nan 8.310 nan 0.000 0.514 60 N N 1.304 120.007 118.700 0.004 0.000 2.761 60 N HA 0.305 5.046 4.740 0.002 0.000 0.317 60 N C -2.998 172.521 175.510 0.015 0.000 1.546 60 N CA -1.482 51.573 53.050 0.008 0.000 1.015 60 N CB 0.313 38.804 38.487 0.005 0.000 1.343 60 N HN 0.203 nan 8.380 nan 0.000 0.504 61 P HA 0.061 nan 4.420 nan 0.000 0.265 61 P C 0.023 177.337 177.300 0.024 0.000 1.187 61 P CA 0.090 63.206 63.100 0.027 0.000 0.766 61 P CB 0.586 32.302 31.700 0.026 0.000 0.820 62 I N 0.055 120.642 120.570 0.029 0.000 2.404 62 I HA 0.567 4.738 4.170 0.002 0.000 0.293 62 I C -0.092 176.033 176.117 0.013 0.000 0.992 62 I CA -1.003 60.308 61.300 0.019 0.000 1.149 62 I CB 2.033 40.045 38.000 0.020 0.000 1.315 62 I HN 0.102 nan 8.210 nan 0.000 0.446 63 R N 5.405 125.909 120.500 0.006 0.000 2.445 63 R HA 0.640 4.981 4.340 0.002 0.000 0.308 63 R C -0.898 175.396 176.300 -0.010 0.000 0.961 63 R CA -0.932 55.168 56.100 0.001 0.000 0.862 63 R CB 1.724 32.026 30.300 0.003 0.000 1.144 63 R HN 0.542 nan 8.270 nan 0.000 0.447 64 R N 2.791 123.279 120.500 -0.020 0.000 2.532 64 R HA 0.346 4.686 4.340 0.002 0.000 0.297 64 R C -2.792 173.485 176.300 -0.039 0.000 0.984 64 R CA -2.753 53.325 56.100 -0.037 0.000 0.884 64 R CB 1.778 32.045 30.300 -0.055 0.000 1.182 64 R HN 0.401 nan 8.270 nan 0.000 0.442 65 P HA 0.126 nan 4.420 nan 0.000 0.271 65 P C -0.371 176.898 177.300 -0.052 0.000 1.226 65 P CA -0.203 62.874 63.100 -0.037 0.000 0.765 65 P CB 0.415 32.095 31.700 -0.033 0.000 0.835 66 I N -0.172 120.376 120.570 -0.038 0.000 3.206 66 I HA 0.757 4.928 4.170 0.002 0.000 0.313 66 I C 0.147 176.253 176.117 -0.018 0.000 1.103 66 I CA -0.951 60.325 61.300 -0.040 0.000 0.985 66 I CB 2.127 40.110 38.000 -0.029 0.000 1.240 66 I HN 0.189 nan 8.210 nan 0.000 0.464 67 S N 0.577 116.272 115.700 -0.009 0.000 3.025 67 S HA 0.791 5.261 4.470 0.002 0.000 0.251 67 S C -0.100 174.507 174.600 0.012 0.000 0.954 67 S CA 0.011 58.211 58.200 0.001 0.000 1.092 67 S CB -0.393 62.806 63.200 -0.002 0.000 1.079 67 S HN 1.169 nan 8.310 nan 0.000 0.543 68 A N 1.614 124.449 122.820 0.024 0.000 2.306 68 A HA 0.625 4.946 4.320 0.002 0.000 0.314 68 A C 0.711 178.316 177.584 0.035 0.000 1.164 68 A CA -0.299 51.764 52.037 0.043 0.000 0.822 68 A CB 0.593 19.647 19.000 0.090 0.000 1.130 68 A HN 0.465 nan 8.150 nan 0.000 0.496 69 D N 0.081 120.491 120.400 0.017 0.000 2.349 69 D HA 0.175 4.816 4.640 0.002 0.000 0.224 69 D C 0.202 176.522 176.300 0.034 0.000 1.029 69 D CA 0.773 54.778 54.000 0.008 0.000 0.879 69 D CB 0.207 40.991 40.800 -0.027 0.000 0.906 69 D HN 0.316 nan 8.370 nan 0.000 0.528 70 S N -1.450 114.306 115.700 0.092 0.000 2.556 70 S HA 0.635 5.105 4.470 0.002 0.000 0.280 70 S C -2.111 172.664 174.600 0.291 0.000 1.141 70 S CA -0.417 57.894 58.200 0.186 0.000 0.883 70 S CB 0.967 64.312 63.200 0.241 0.000 1.103 70 S HN 0.454 nan 8.310 nan 0.000 0.453 71 A N 4.016 126.962 122.820 0.210 0.000 2.375 71 A HA 0.794 5.115 4.320 0.002 0.000 0.295 71 A C -0.733 176.875 177.584 0.040 0.000 1.066 71 A CA -0.709 51.416 52.037 0.147 0.000 0.722 71 A CB 0.566 19.615 19.000 0.083 0.000 1.206 71 A HN 1.157 nan 8.150 nan 0.000 0.435 72 I N -0.185 120.347 120.570 -0.062 0.000 2.466 72 I HA 0.590 4.761 4.170 0.002 0.000 0.289 72 I C -0.580 175.562 176.117 0.041 0.000 1.026 72 I CA -0.904 60.338 61.300 -0.097 0.000 1.078 72 I CB 1.848 39.636 38.000 -0.353 0.000 1.249 72 I HN 0.386 nan 8.210 nan 0.000 0.429 73 M N 4.716 124.293 119.600 -0.039 0.000 2.249 73 M HA 0.224 4.705 4.480 0.002 0.000 0.351 73 M C 0.244 176.236 176.300 -0.513 0.000 1.180 73 M CA 0.009 55.170 55.300 -0.232 0.000 1.127 73 M CB 1.104 33.511 32.600 -0.322 0.000 1.546 73 M HN 0.751 nan 8.290 nan 0.000 0.461 74 N N 3.823 121.996 118.700 -0.879 0.000 2.395 74 N HA 0.015 4.756 4.740 0.002 0.000 0.246 74 N C -2.040 173.020 175.510 -0.751 0.000 1.246 74 N CA -0.804 51.368 53.050 -1.464 0.000 0.879 74 N CB 1.140 38.901 38.487 -1.209 0.000 1.098 74 N HN 0.263 nan 8.380 nan 0.000 0.444 75 P HA 0.005 nan 4.420 nan 0.000 0.225 75 P C -0.101 177.134 177.300 -0.109 0.000 1.148 75 P CA 1.051 64.017 63.100 -0.223 0.000 0.779 75 P CB 0.334 31.949 31.700 -0.143 0.000 0.780 76 A N -3.042 119.675 122.820 -0.173 0.000 2.377 76 A HA 0.347 4.668 4.320 0.002 0.000 0.209 76 A C 0.900 178.472 177.584 -0.021 0.000 1.359 76 A CA 0.259 52.261 52.037 -0.059 0.000 1.026 76 A CB 0.231 19.178 19.000 -0.088 0.000 1.224 76 A HN 0.132 nan 8.150 nan 0.000 0.528 77 S N -0.477 115.131 115.700 -0.153 0.000 2.595 77 S HA 0.416 4.887 4.470 0.002 0.000 0.281 77 S C -0.755 173.643 174.600 -0.337 0.000 1.117 77 S CA -0.575 57.535 58.200 -0.149 0.000 0.873 77 S CB 1.176 64.277 63.200 -0.164 0.000 1.108 77 S HN 0.187 nan 8.310 nan 0.000 0.477 78 K N 2.323 122.566 120.400 -0.261 0.000 2.989 78 K HA 0.184 4.505 4.320 0.002 0.000 0.264 78 K C -0.839 175.599 176.600 -0.269 0.000 1.228 78 K CA 0.097 56.163 56.287 -0.368 0.000 1.186 78 K CB -0.558 31.845 32.500 -0.162 0.000 1.409 78 K HN 0.301 nan 8.250 nan 0.000 0.271 79 V N 2.193 121.913 119.914 -0.322 0.000 2.448 79 V HA 0.403 4.524 4.120 0.002 0.000 0.295 79 V C -0.101 175.878 176.094 -0.192 0.000 1.025 79 V CA -0.861 61.316 62.300 -0.206 0.000 0.859 79 V CB 1.941 33.621 31.823 -0.237 0.000 0.988 79 V HN 0.339 nan 8.190 nan 0.000 0.431 80 I N 3.508 124.063 120.570 -0.026 0.000 2.509 80 I HA 0.784 4.955 4.170 0.002 0.000 0.293 80 I C 0.132 176.354 176.117 0.175 0.000 1.020 80 I CA -0.739 60.583 61.300 0.038 0.000 1.088 80 I CB 1.904 39.903 38.000 -0.003 0.000 1.267 80 I HN 0.710 nan 8.210 nan 0.000 0.430 81 A N 8.334 131.248 122.820 0.157 0.000 2.274 81 A HA 0.728 5.048 4.320 0.002 0.000 0.309 81 A C -1.121 176.612 177.584 0.249 0.000 1.226 81 A CA -0.361 51.730 52.037 0.089 0.000 0.853 81 A CB 0.413 19.136 19.000 -0.461 0.000 1.146 81 A HN 0.678 nan 8.150 nan 0.000 0.518 82 L N 3.166 124.676 121.223 0.478 0.000 2.385 82 L HA 0.605 4.946 4.340 0.002 0.000 0.273 82 L C -0.031 177.111 176.870 0.454 0.000 0.990 82 L CA -0.623 54.488 54.840 0.453 0.000 0.821 82 L CB 2.242 44.478 42.059 0.295 0.000 1.279 82 L HN 0.906 nan 8.230 nan 0.000 0.412 83 K N 2.132 122.702 120.400 0.283 0.000 2.477 83 K HA 0.937 5.258 4.320 0.002 0.000 0.255 83 K C -1.470 175.101 176.600 -0.048 0.000 0.952 83 K CA -0.830 55.446 56.287 -0.017 0.000 0.826 83 K CB 2.802 34.983 32.500 -0.532 0.000 1.331 83 K HN 0.542 nan 8.250 nan 0.000 0.437 84 A N 1.751 124.526 122.820 -0.075 0.000 2.855 84 A HA 0.634 4.955 4.320 0.002 0.000 0.313 84 A C 0.476 178.003 177.584 -0.095 0.000 1.173 84 A CA 0.070 52.069 52.037 -0.063 0.000 0.753 84 A CB 0.137 19.126 19.000 -0.019 0.000 1.200 84 A HN 1.378 nan 8.150 nan 0.000 0.442 85 G N 2.186 110.910 108.800 -0.128 0.000 2.588 85 G HA2 -0.306 3.655 3.960 0.002 0.000 0.273 85 G HA3 -0.306 3.655 3.960 0.002 0.000 0.273 85 G C 0.808 175.605 174.900 -0.173 0.000 1.211 85 G CA 0.616 45.638 45.100 -0.129 0.000 0.958 85 G HN 0.770 nan 8.290 nan 0.000 0.543 86 K N 0.813 121.121 120.400 -0.153 0.000 2.374 86 K HA 0.277 4.598 4.320 0.002 0.000 0.196 86 K C 0.448 176.937 176.600 -0.184 0.000 1.023 86 K CA 0.604 56.782 56.287 -0.182 0.000 1.103 86 K CB 0.474 32.876 32.500 -0.163 0.000 0.848 86 K HN 0.325 nan 8.250 nan 0.000 0.528 87 T N 2.439 116.908 114.554 -0.141 0.000 2.729 87 T HA 0.320 4.671 4.350 0.002 0.000 0.296 87 T C -0.327 174.336 174.700 -0.063 0.000 0.928 87 T CA -0.159 61.883 62.100 -0.097 0.000 1.045 87 T CB 0.409 69.247 68.868 -0.051 0.000 0.902 87 T HN 0.038 nan 8.240 nan 0.000 0.500 88 L N 4.203 125.418 121.223 -0.015 0.000 2.356 88 L HA 0.548 4.889 4.340 0.002 0.000 0.277 88 L C 0.059 177.100 176.870 0.286 0.000 0.996 88 L CA -0.868 54.053 54.840 0.135 0.000 0.822 88 L CB 1.618 43.762 42.059 0.141 0.000 1.256 88 L HN 0.490 nan 8.230 nan 0.000 0.413 89 Q N 3.620 123.624 119.800 0.339 0.000 2.433 89 Q HA 0.728 5.069 4.340 0.002 0.000 0.279 89 Q C -1.220 174.929 176.000 0.248 0.000 1.105 89 Q CA -0.821 55.135 55.803 0.255 0.000 0.815 89 Q CB 3.631 32.538 28.738 0.280 0.000 1.403 89 Q HN 0.516 nan 8.270 nan 0.000 0.435 90 I N 1.777 122.324 120.570 -0.039 0.000 2.512 90 I HA 0.409 4.580 4.170 0.002 0.000 0.287 90 I C -1.386 174.590 176.117 -0.236 0.000 1.069 90 I CA -0.462 60.827 61.300 -0.018 0.000 1.056 90 I CB 1.072 39.011 38.000 -0.103 0.000 1.229 90 I HN 0.447 nan 8.210 nan 0.000 0.429 91 F N 3.313 123.278 119.950 0.024 0.000 2.538 91 F HA 0.368 4.896 4.527 0.002 0.000 0.325 91 F C 0.394 176.173 175.800 -0.035 0.000 1.066 91 F CA -0.897 57.103 58.000 -0.000 0.000 0.946 91 F CB 1.583 40.586 39.000 0.005 0.000 1.199 91 F HN 0.373 nan 8.300 nan 0.000 0.473 92 N N 2.114 120.907 118.700 0.154 0.000 2.609 92 N HA 0.325 5.066 4.740 0.002 0.000 0.234 92 N C 0.846 176.397 175.510 0.068 0.000 1.001 92 N CA -0.142 52.938 53.050 0.050 0.000 0.926 92 N CB 0.362 38.855 38.487 0.008 0.000 1.130 92 N HN 0.646 nan 8.380 nan 0.000 0.510 93 I N 2.000 122.589 120.570 0.031 0.000 2.113 93 I HA -0.374 3.797 4.170 0.002 0.000 0.242 93 I C 1.850 177.970 176.117 0.005 0.000 1.064 93 I CA 1.587 62.890 61.300 0.004 0.000 1.320 93 I CB -0.149 37.823 38.000 -0.046 0.000 1.028 93 I HN 0.679 nan 8.210 nan 0.000 0.406 94 E N 0.326 120.523 120.200 -0.004 0.000 2.085 94 E HA -0.218 4.133 4.350 0.002 0.000 0.194 94 E C 2.088 178.695 176.600 0.011 0.000 0.994 94 E CA 1.398 57.800 56.400 0.002 0.000 0.801 94 E CB -0.145 29.554 29.700 -0.001 0.000 0.743 94 E HN 0.512 nan 8.360 nan 0.000 0.453 95 M N 0.271 119.881 119.600 0.018 0.000 2.618 95 M HA 0.052 4.533 4.480 0.002 0.000 0.240 95 M C -0.271 176.057 176.300 0.046 0.000 1.123 95 M CA 0.361 55.676 55.300 0.025 0.000 1.060 95 M CB 0.064 32.676 32.600 0.020 0.000 1.535 95 M HN -0.126 nan 8.290 nan 0.000 0.507 96 K N 1.832 122.266 120.400 0.057 0.000 3.177 96 K HA -0.157 4.164 4.320 0.002 0.000 0.266 96 K C -0.451 176.236 176.600 0.145 0.000 0.937 96 K CA 0.626 56.961 56.287 0.080 0.000 0.702 96 K CB -2.141 30.385 32.500 0.042 0.000 1.365 96 K HN 0.569 nan 8.250 nan 0.000 0.466 97 S N -0.709 115.109 115.700 0.198 0.000 2.569 97 S HA 0.417 4.888 4.470 0.002 0.000 0.280 97 S C -0.682 174.000 174.600 0.137 0.000 1.111 97 S CA -1.263 57.048 58.200 0.185 0.000 0.887 97 S CB 2.461 65.702 63.200 0.069 0.000 1.095 97 S HN 0.281 nan 8.310 nan 0.000 0.476 98 K N 2.199 122.552 120.400 -0.079 0.000 2.250 98 K HA 0.299 4.620 4.320 0.002 0.000 0.285 98 K C 0.790 177.194 176.600 -0.327 0.000 1.097 98 K CA -0.403 55.503 56.287 -0.635 0.000 0.913 98 K CB 0.151 32.295 32.500 -0.593 0.000 1.179 98 K HN 0.767 nan 8.250 nan 0.000 0.462 99 M N 2.570 121.991 119.600 -0.298 0.000 2.062 99 M HA -0.107 4.374 4.480 0.002 0.000 0.259 99 M C 0.881 177.103 176.300 -0.130 0.000 1.076 99 M CA 1.602 56.805 55.300 -0.161 0.000 1.122 99 M CB -0.026 32.493 32.600 -0.135 0.000 1.312 99 M HN 0.499 nan 8.290 nan 0.000 0.412 100 K N -0.505 119.810 120.400 -0.141 0.000 2.551 100 K HA 0.665 4.986 4.320 0.002 0.000 0.269 100 K C -2.233 174.437 176.600 0.116 0.000 0.949 100 K CA -0.718 55.567 56.287 -0.003 0.000 0.849 100 K CB 2.389 34.893 32.500 0.006 0.000 1.411 100 K HN 0.080 nan 8.250 nan 0.000 0.432 101 A N 1.909 124.898 122.820 0.283 0.000 2.520 101 A HA 0.649 4.970 4.320 0.002 0.000 0.298 101 A C -2.023 175.728 177.584 0.278 0.000 1.051 101 A CA -0.515 51.668 52.037 0.244 0.000 0.690 101 A CB 1.311 20.353 19.000 0.071 0.000 1.281 101 A HN 0.910 nan 8.150 nan 0.000 0.402 102 H N 0.124 119.204 119.070 0.017 0.000 3.129 102 H HA 0.534 5.090 4.556 0.001 0.000 0.342 102 H C -1.311 173.878 175.328 -0.232 0.000 1.092 102 H CA 0.055 55.974 56.048 -0.215 0.000 1.310 102 H CB 1.685 31.049 29.762 -0.663 0.000 1.932 102 H HN 0.488 nan 8.280 nan 0.000 0.507 103 T N 7.048 121.112 114.554 -0.817 0.000 2.910 103 T HA 0.217 4.567 4.350 0.002 0.000 0.323 103 T C 0.564 174.894 174.700 -0.616 0.000 1.091 103 T CA -0.813 60.968 62.100 -0.532 0.000 0.960 103 T CB -0.102 68.564 68.868 -0.336 0.000 1.024 103 T HN 0.401 nan 8.240 nan 0.000 0.509 104 M N 1.673 121.043 119.600 -0.382 0.000 2.198 104 M HA 0.042 4.522 4.480 0.002 0.000 0.292 104 M C 1.876 178.042 176.300 -0.223 0.000 1.150 104 M CA 0.452 55.601 55.300 -0.251 0.000 1.168 104 M CB -0.079 32.359 32.600 -0.269 0.000 1.388 104 M HN 0.495 nan 8.290 nan 0.000 0.447 105 T N -0.398 114.051 114.554 -0.175 0.000 3.044 105 T HA 0.058 4.409 4.350 0.002 0.000 0.250 105 T C -0.200 174.433 174.700 -0.111 0.000 1.081 105 T CA 0.370 62.395 62.100 -0.126 0.000 1.040 105 T CB 0.112 68.930 68.868 -0.084 0.000 0.962 105 T HN 0.546 nan 8.240 nan 0.000 0.506 106 D N 1.189 121.507 120.400 -0.136 0.000 2.547 106 D HA 0.311 4.952 4.640 0.002 0.000 0.231 106 D C -1.114 175.097 176.300 -0.148 0.000 1.099 106 D CA -0.588 53.344 54.000 -0.113 0.000 0.901 106 D CB 1.652 42.404 40.800 -0.080 0.000 1.478 106 D HN 0.179 nan 8.370 nan 0.000 0.471 107 D N 0.221 120.548 120.400 -0.121 0.000 2.362 107 D HA 0.155 4.796 4.640 0.002 0.000 0.242 107 D C -0.019 176.184 176.300 -0.161 0.000 1.132 107 D CA -0.002 53.912 54.000 -0.143 0.000 0.907 107 D CB 1.438 42.175 40.800 -0.106 0.000 1.195 107 D HN -0.061 nan 8.370 nan 0.000 0.429 108 V N 1.869 121.647 119.914 -0.226 0.000 2.318 108 V HA 0.078 4.198 4.120 0.002 0.000 0.271 108 V C 1.607 177.600 176.094 -0.168 0.000 1.030 108 V CA -0.351 61.805 62.300 -0.239 0.000 0.844 108 V CB 0.806 32.370 31.823 -0.432 0.000 1.015 108 V HN 0.714 nan 8.190 nan 0.000 0.460 109 T N 1.154 115.690 114.554 -0.030 0.000 3.088 109 T HA 0.159 4.509 4.350 0.002 0.000 0.259 109 T C 0.042 174.872 174.700 0.218 0.000 1.122 109 T CA 0.520 62.659 62.100 0.066 0.000 1.095 109 T CB -0.048 68.881 68.868 0.100 0.000 0.930 109 T HN 0.409 nan 8.240 nan 0.000 0.508 110 F N 0.838 120.801 119.950 0.023 0.000 2.719 110 F HA 0.533 5.061 4.527 0.001 0.000 0.309 110 F C -2.418 173.523 175.800 0.234 0.000 1.138 110 F CA -1.178 56.914 58.000 0.153 0.000 0.943 110 F CB 1.707 40.824 39.000 0.196 0.000 1.304 110 F HN 0.268 nan 8.300 nan 0.000 0.445 111 W N 4.652 125.645 121.300 -0.513 0.000 3.954 111 W HA 0.531 5.192 4.660 0.001 0.000 0.268 111 W C -2.473 173.762 176.519 -0.474 0.000 1.285 111 W CA -1.600 55.559 57.345 -0.309 0.000 1.240 111 W CB 0.322 29.661 29.460 -0.201 0.000 1.247 111 W HN 0.864 nan 8.180 nan 0.000 0.553 112 K N 2.417 122.699 120.400 -0.197 0.000 2.557 112 K HA 0.402 4.723 4.320 0.002 0.000 0.261 112 K C -1.437 175.076 176.600 -0.145 0.000 0.932 112 K CA -0.481 55.665 56.287 -0.235 0.000 0.829 112 K CB 1.545 34.039 32.500 -0.009 0.000 1.358 112 K HN 0.403 nan 8.250 nan 0.000 0.430 113 W N 4.660 125.875 121.300 -0.141 0.000 2.223 113 W HA 0.138 4.799 4.660 0.001 0.000 0.334 113 W C 1.372 177.894 176.519 0.005 0.000 1.334 113 W CA -0.092 57.196 57.345 -0.094 0.000 1.246 113 W CB 0.408 29.789 29.460 -0.131 0.000 1.184 113 W HN 0.581 nan 8.180 nan 0.000 0.563 114 I N 0.042 120.740 120.570 0.214 0.000 4.327 114 I HA 0.328 4.499 4.170 0.002 0.000 0.331 114 I C 0.444 176.648 176.117 0.144 0.000 1.348 114 I CA -0.155 61.247 61.300 0.169 0.000 1.152 114 I CB -0.008 38.067 38.000 0.124 0.000 1.151 114 I HN 0.225 nan 8.210 nan 0.000 0.410 115 S N 0.022 115.828 115.700 0.177 0.000 2.688 115 S HA 0.490 4.960 4.470 0.002 0.000 0.275 115 S C 0.177 174.856 174.600 0.132 0.000 1.175 115 S CA -0.814 57.462 58.200 0.127 0.000 0.818 115 S CB 1.226 64.483 63.200 0.096 0.000 1.157 115 S HN 0.148 nan 8.310 nan 0.000 0.482 116 L N 1.258 122.509 121.223 0.047 0.000 2.456 116 L HA 0.039 4.380 4.340 0.002 0.000 0.224 116 L C 1.337 178.191 176.870 -0.027 0.000 1.148 116 L CA 1.420 56.236 54.840 -0.040 0.000 0.825 116 L CB -0.925 41.104 42.059 -0.050 0.000 0.937 116 L HN 0.892 nan 8.230 nan 0.000 0.450 117 N N -3.569 115.193 118.700 0.103 0.000 2.082 117 N HA 0.013 4.754 4.740 0.002 0.000 0.228 117 N C -0.021 175.630 175.510 0.236 0.000 1.341 117 N CA -0.176 52.965 53.050 0.152 0.000 0.873 117 N CB 0.539 39.057 38.487 0.051 0.000 1.137 117 N HN -0.193 nan 8.380 nan 0.000 0.505 118 T N 0.582 115.278 114.554 0.237 0.000 2.829 118 T HA 0.554 4.905 4.350 0.002 0.000 0.280 118 T C -0.880 173.754 174.700 -0.109 0.000 0.999 118 T CA -0.544 61.585 62.100 0.049 0.000 0.983 118 T CB 2.405 71.278 68.868 0.009 0.000 0.968 118 T HN -0.119 nan 8.240 nan 0.000 0.446 119 V N 2.501 122.189 119.914 -0.376 0.000 2.435 119 V HA 0.735 4.856 4.120 0.002 0.000 0.290 119 V C 0.227 176.229 176.094 -0.153 0.000 1.030 119 V CA -0.914 61.047 62.300 -0.565 0.000 0.881 119 V CB 1.435 32.762 31.823 -0.827 0.000 0.983 119 V HN 1.087 nan 8.190 nan 0.000 0.445 120 A N 6.440 129.206 122.820 -0.089 0.000 2.290 120 A HA 0.851 5.172 4.320 0.002 0.000 0.310 120 A C -0.700 176.936 177.584 0.086 0.000 1.202 120 A CA -0.458 51.595 52.037 0.027 0.000 0.837 120 A CB 0.430 19.494 19.000 0.107 0.000 1.139 120 A HN 0.798 nan 8.150 nan 0.000 0.509 121 L N 3.091 124.364 121.223 0.083 0.000 2.333 121 L HA 0.549 4.890 4.340 0.002 0.000 0.280 121 L C -0.928 175.963 176.870 0.036 0.000 1.004 121 L CA -0.927 53.963 54.840 0.083 0.000 0.820 121 L CB 1.708 43.748 42.059 -0.031 0.000 1.247 121 L HN 0.379 nan 8.230 nan 0.000 0.416 122 V N 1.522 121.477 119.914 0.069 0.000 2.417 122 V HA 0.499 4.620 4.120 0.002 0.000 0.291 122 V C 0.486 176.606 176.094 0.044 0.000 1.024 122 V CA -0.420 61.914 62.300 0.056 0.000 0.861 122 V CB 1.737 33.637 31.823 0.129 0.000 0.985 122 V HN 0.937 nan 8.190 nan 0.000 0.436 123 T N -0.331 114.252 114.554 0.047 0.000 2.889 123 T HA 0.344 4.695 4.350 0.002 0.000 0.278 123 T C 0.656 175.377 174.700 0.036 0.000 0.995 123 T CA -0.615 61.495 62.100 0.018 0.000 0.966 123 T CB 1.360 70.244 68.868 0.027 0.000 1.237 123 T HN 0.431 nan 8.240 nan 0.000 0.591 124 D N 0.649 121.063 120.400 0.023 0.000 2.178 124 D HA -0.087 4.554 4.640 0.002 0.000 0.201 124 D C 1.379 177.699 176.300 0.034 0.000 0.980 124 D CA 1.416 55.433 54.000 0.029 0.000 0.842 124 D CB -0.154 40.656 40.800 0.018 0.000 0.948 124 D HN 0.843 nan 8.370 nan 0.000 0.472 125 N N -1.026 117.693 118.700 0.031 0.000 2.299 125 N HA 0.409 5.149 4.740 0.002 0.000 0.246 125 N C -0.283 175.223 175.510 -0.007 0.000 1.254 125 N CA -0.402 52.660 53.050 0.021 0.000 0.879 125 N CB 1.299 39.793 38.487 0.012 0.000 1.214 125 N HN -0.040 nan 8.380 nan 0.000 0.510 126 A N 0.047 122.855 122.820 -0.021 0.000 2.567 126 A HA 0.536 4.857 4.320 0.002 0.000 0.291 126 A C -1.862 175.577 177.584 -0.243 0.000 1.048 126 A CA -0.516 51.408 52.037 -0.187 0.000 0.661 126 A CB 1.536 20.373 19.000 -0.272 0.000 1.288 126 A HN -0.006 nan 8.150 nan 0.000 0.424 127 V N 1.325 120.833 119.914 -0.676 0.000 2.540 127 V HA 0.678 4.799 4.120 0.002 0.000 0.302 127 V C -1.359 174.349 176.094 -0.643 0.000 1.035 127 V CA -0.368 61.539 62.300 -0.654 0.000 0.873 127 V CB 1.374 32.455 31.823 -1.238 0.000 0.992 127 V HN 0.770 nan 8.190 nan 0.000 0.428 128 Y N 2.129 122.228 120.300 -0.336 0.000 2.598 128 Y HA 0.630 5.181 4.550 0.002 0.000 0.340 128 Y C 0.211 176.148 175.900 0.062 0.000 1.038 128 Y CA -1.135 56.851 58.100 -0.191 0.000 1.100 128 Y CB 1.460 39.812 38.460 -0.180 0.000 1.281 128 Y HN 0.569 nan 8.280 nan 0.000 0.488 129 H N -0.274 118.849 119.070 0.089 0.000 2.569 129 H HA 0.288 4.845 4.556 0.002 0.000 0.357 129 H C -1.729 173.716 175.328 0.195 0.000 1.153 129 H CA -0.841 55.280 56.048 0.122 0.000 1.193 129 H CB 2.159 31.988 29.762 0.112 0.000 1.602 129 H HN 0.682 nan 8.280 nan 0.000 0.523 130 W N 2.939 124.260 121.300 0.034 0.000 2.802 130 W HA 0.282 4.943 4.660 0.001 0.000 0.331 130 W C -1.153 175.341 176.519 -0.042 0.000 1.021 130 W CA -0.721 56.601 57.345 -0.037 0.000 1.259 130 W CB 1.708 31.104 29.460 -0.106 0.000 1.323 130 W HN 0.343 nan 8.180 nan 0.000 0.432 131 S N 4.688 120.459 115.700 0.118 0.000 2.616 131 S HA 0.457 4.928 4.470 0.002 0.000 0.277 131 S C 0.772 175.233 174.600 -0.233 0.000 1.234 131 S CA -0.342 57.833 58.200 -0.042 0.000 1.028 131 S CB 0.883 64.112 63.200 0.049 0.000 0.988 131 S HN 0.483 nan 8.310 nan 0.000 0.522 132 M N 1.696 121.188 119.600 -0.180 0.000 2.441 132 M HA 0.278 4.759 4.480 0.002 0.000 0.244 132 M C 0.357 176.602 176.300 -0.092 0.000 1.122 132 M CA 0.205 55.382 55.300 -0.205 0.000 1.041 132 M CB -1.305 31.226 32.600 -0.116 0.000 1.438 132 M HN 0.646 nan 8.290 nan 0.000 0.484 133 E N 1.528 121.703 120.200 -0.042 0.000 2.292 133 E HA 0.366 4.717 4.350 0.002 0.000 0.265 133 E C 0.937 177.538 176.600 0.001 0.000 1.093 133 E CA 0.725 57.119 56.400 -0.011 0.000 0.922 133 E CB 0.024 29.729 29.700 0.009 0.000 1.001 133 E HN 0.494 nan 8.360 nan 0.000 0.444 134 G N 4.159 112.957 108.800 -0.002 0.000 2.668 134 G HA2 -0.411 3.550 3.960 0.002 0.000 0.266 134 G HA3 -0.411 3.550 3.960 0.002 0.000 0.266 134 G C 0.716 175.634 174.900 0.030 0.000 1.328 134 G CA 0.176 45.282 45.100 0.011 0.000 0.911 134 G HN 0.652 nan 8.290 nan 0.000 0.567 135 E N 0.639 120.864 120.200 0.042 0.000 2.483 135 E HA 0.021 4.372 4.350 0.002 0.000 0.205 135 E C 1.844 178.506 176.600 0.103 0.000 1.075 135 E CA 1.118 57.556 56.400 0.064 0.000 0.889 135 E CB -0.463 29.267 29.700 0.050 0.000 0.816 135 E HN 0.648 nan 8.360 nan 0.000 0.567 136 S N 0.310 116.078 115.700 0.114 0.000 2.555 136 S HA -0.053 4.418 4.470 0.002 0.000 0.264 136 S C 0.349 175.117 174.600 0.280 0.000 1.378 136 S CA 0.232 58.534 58.200 0.169 0.000 0.996 136 S CB 0.368 63.673 63.200 0.174 0.000 0.869 136 S HN 0.251 nan 8.310 nan 0.000 0.546 137 Q N -0.210 119.725 119.800 0.226 0.000 2.626 137 Q HA 0.406 4.747 4.340 0.002 0.000 0.300 137 Q C -2.981 172.938 176.000 -0.134 0.000 0.988 137 Q CA -2.125 53.685 55.803 0.011 0.000 0.761 137 Q CB 1.185 29.893 28.738 -0.051 0.000 1.494 137 Q HN 0.299 nan 8.270 nan 0.000 0.439 138 P HA 0.122 nan 4.420 nan 0.000 0.276 138 P C -1.156 176.097 177.300 -0.078 0.000 1.230 138 P CA -0.085 62.776 63.100 -0.397 0.000 0.776 138 P CB 0.608 31.829 31.700 -0.797 0.000 0.888 139 V N 4.267 124.218 119.914 0.061 0.000 2.409 139 V HA 0.230 4.351 4.120 0.002 0.000 0.291 139 V C 0.499 176.558 176.094 -0.059 0.000 1.020 139 V CA -0.834 61.482 62.300 0.027 0.000 0.848 139 V CB 1.432 33.268 31.823 0.023 0.000 0.990 139 V HN 0.455 nan 8.190 nan 0.000 0.430 140 K N 4.698 124.974 120.400 -0.206 0.000 2.436 140 K HA 0.130 4.451 4.320 0.002 0.000 0.282 140 K C 0.700 177.011 176.600 -0.481 0.000 1.044 140 K CA -0.240 55.657 56.287 -0.650 0.000 1.028 140 K CB 0.692 32.807 32.500 -0.642 0.000 0.919 140 K HN 0.541 nan 8.250 nan 0.000 0.474 141 M N 4.265 123.498 119.600 -0.611 0.000 2.357 141 M HA 0.091 4.572 4.480 0.002 0.000 0.266 141 M C 0.309 176.309 176.300 -0.499 0.000 1.095 141 M CA 0.871 55.865 55.300 -0.510 0.000 1.156 141 M CB -0.688 31.556 32.600 -0.594 0.000 1.365 141 M HN 0.532 nan 8.290 nan 0.000 0.447 142 F N -2.319 117.252 119.950 -0.631 0.000 2.769 142 F HA 0.513 5.041 4.527 0.001 0.000 0.313 142 F C -1.748 173.816 175.800 -0.394 0.000 1.146 142 F CA -2.124 55.492 58.000 -0.640 0.000 0.934 142 F CB 0.336 38.601 39.000 -1.225 0.000 1.283 142 F HN -0.240 nan 8.300 nan 0.000 0.443 143 D N 1.850 122.265 120.400 0.025 0.000 2.255 143 D HA 0.294 4.935 4.640 0.002 0.000 0.249 143 D C -0.139 176.272 176.300 0.184 0.000 1.078 143 D CA -0.322 53.682 54.000 0.006 0.000 0.896 143 D CB 1.374 42.163 40.800 -0.018 0.000 1.194 143 D HN 0.485 nan 8.370 nan 0.000 0.429 144 R N 1.254 121.829 120.500 0.126 0.000 2.537 144 R HA 0.045 4.386 4.340 0.002 0.000 0.280 144 R C 0.640 177.041 176.300 0.169 0.000 1.058 144 R CA -0.314 55.910 56.100 0.206 0.000 1.057 144 R CB 0.501 30.883 30.300 0.136 0.000 0.973 144 R HN 0.460 nan 8.270 nan 0.000 0.438 145 H N 1.558 120.692 119.070 0.107 0.000 2.732 145 H HA -0.033 4.524 4.556 0.002 0.000 0.351 145 H C 0.876 176.228 175.328 0.041 0.000 1.090 145 H CA 0.339 56.421 56.048 0.057 0.000 1.431 145 H CB 1.170 30.954 29.762 0.037 0.000 1.447 145 H HN 0.713 nan 8.280 nan 0.000 0.582 146 S N 1.971 117.783 115.700 0.186 0.000 2.469 146 S HA -0.196 4.275 4.470 0.002 0.000 0.238 146 S C 1.983 176.733 174.600 0.249 0.000 0.998 146 S CA 0.981 59.288 58.200 0.177 0.000 0.957 146 S CB -0.394 62.837 63.200 0.052 0.000 0.764 146 S HN 0.629 nan 8.310 nan 0.000 0.514 147 S N 0.914 116.865 115.700 0.418 0.000 2.507 147 S HA 0.121 4.592 4.470 0.002 0.000 0.235 147 S C 1.180 175.797 174.600 0.028 0.000 0.988 147 S CA 0.397 58.645 58.200 0.079 0.000 0.944 147 S CB -0.429 62.653 63.200 -0.197 0.000 0.762 147 S HN 0.418 nan 8.310 nan 0.000 0.526 148 L N 0.975 122.241 121.223 0.071 0.000 2.728 148 L HA 0.510 4.851 4.340 0.002 0.000 0.238 148 L C 1.015 177.916 176.870 0.052 0.000 1.143 148 L CA -0.089 54.778 54.840 0.045 0.000 0.937 148 L CB -0.386 41.710 42.059 0.061 0.000 1.225 148 L HN 0.309 nan 8.230 nan 0.000 0.507 149 A N -0.009 122.848 122.820 0.062 0.000 2.473 149 A HA 0.473 4.794 4.320 0.002 0.000 0.282 149 A C 1.451 179.055 177.584 0.033 0.000 1.163 149 A CA 0.835 52.901 52.037 0.048 0.000 0.827 149 A CB -0.737 18.291 19.000 0.048 0.000 1.098 149 A HN 0.630 nan 8.150 nan 0.000 0.515 150 G N 1.241 110.059 108.800 0.031 0.000 2.307 150 G HA2 -0.223 3.737 3.960 0.002 0.000 0.210 150 G HA3 -0.223 3.737 3.960 0.002 0.000 0.210 150 G C 0.588 175.502 174.900 0.023 0.000 1.005 150 G CA -0.101 45.013 45.100 0.024 0.000 0.634 150 G HN 1.012 nan 8.290 nan 0.000 0.496 151 C N 1.579 120.890 119.300 0.019 0.000 2.775 151 C HA 0.480 4.940 4.460 0.002 0.000 0.391 151 C C 1.029 176.035 174.990 0.027 0.000 1.295 151 C CA 0.399 59.424 59.018 0.012 0.000 2.119 151 C CB 0.820 28.561 27.740 0.002 0.000 2.705 151 C HN 0.620 nan 8.230 nan 0.000 0.710 152 Q N 1.615 121.429 119.800 0.024 0.000 2.360 152 Q HA 0.329 4.670 4.340 0.002 0.000 0.254 152 Q C -0.685 175.341 176.000 0.043 0.000 0.975 152 Q CA -0.521 55.315 55.803 0.054 0.000 0.912 152 Q CB 0.368 29.134 28.738 0.047 0.000 1.212 152 Q HN 0.559 nan 8.270 nan 0.000 0.452 153 I N 6.755 127.361 120.570 0.060 0.000 2.533 153 I HA -0.061 4.110 4.170 0.002 0.000 0.284 153 I C 1.128 177.203 176.117 -0.070 0.000 1.109 153 I CA 0.594 61.859 61.300 -0.058 0.000 1.412 153 I CB 0.358 38.306 38.000 -0.087 0.000 1.396 153 I HN 0.782 nan 8.210 nan 0.000 0.543 154 I N 2.201 122.657 120.570 -0.190 0.000 4.403 154 I HA 0.404 4.575 4.170 0.002 0.000 0.331 154 I C 0.103 176.226 176.117 0.009 0.000 1.327 154 I CA -0.089 61.240 61.300 0.049 0.000 1.175 154 I CB 0.791 38.772 38.000 -0.031 0.000 1.165 154 I HN 0.549 nan 8.210 nan 0.000 0.413 155 N N 0.366 118.844 118.700 -0.370 0.000 2.859 155 N HA 0.408 5.149 4.740 0.002 0.000 0.250 155 N C -2.205 173.366 175.510 0.102 0.000 1.341 155 N CA -0.431 52.627 53.050 0.013 0.000 0.881 155 N CB 1.807 40.428 38.487 0.223 0.000 1.516 155 N HN 0.157 nan 8.380 nan 0.000 0.503 156 Y N 1.362 121.833 120.300 0.285 0.000 2.323 156 Y HA 0.551 5.102 4.550 0.001 0.000 0.322 156 Y C -1.298 174.825 175.900 0.371 0.000 1.133 156 Y CA -0.439 57.863 58.100 0.336 0.000 1.093 156 Y CB 0.992 39.712 38.460 0.432 0.000 1.203 156 Y HN 0.557 nan 8.280 nan 0.000 0.427 157 R N 3.226 123.629 120.500 -0.161 0.000 2.837 157 R HA 0.819 5.160 4.340 0.002 0.000 0.271 157 R C -1.183 175.144 176.300 0.046 0.000 0.993 157 R CA -1.227 54.901 56.100 0.047 0.000 0.931 157 R CB 2.502 32.970 30.300 0.279 0.000 1.206 157 R HN 0.600 nan 8.270 nan 0.000 0.474 158 T N 0.677 115.318 114.554 0.146 0.000 2.896 158 T HA 0.175 4.526 4.350 0.002 0.000 0.297 158 T C -1.035 173.555 174.700 -0.183 0.000 1.108 158 T CA -0.864 61.202 62.100 -0.056 0.000 1.004 158 T CB 1.657 70.527 68.868 0.003 0.000 1.159 158 T HN 0.688 nan 8.240 nan 0.000 0.499 159 D N 0.863 120.881 120.400 -0.636 0.000 2.411 159 D HA 0.323 4.964 4.640 0.002 0.000 0.251 159 D C 1.441 177.708 176.300 -0.056 0.000 1.201 159 D CA -0.397 53.361 54.000 -0.402 0.000 0.996 159 D CB 1.000 41.541 40.800 -0.431 0.000 1.101 159 D HN 0.512 nan 8.370 nan 0.000 0.504 160 A N 0.680 123.520 122.820 0.034 0.000 1.940 160 A HA -0.212 4.109 4.320 0.002 0.000 0.219 160 A C 1.740 179.354 177.584 0.050 0.000 1.176 160 A CA 1.343 53.415 52.037 0.058 0.000 0.631 160 A CB -0.484 18.559 19.000 0.072 0.000 0.814 160 A HN 0.625 nan 8.150 nan 0.000 0.446 161 K N -0.423 120.005 120.400 0.047 0.000 2.500 161 K HA 0.183 4.504 4.320 0.002 0.000 0.206 161 K C -0.424 176.202 176.600 0.042 0.000 1.034 161 K CA -0.051 56.264 56.287 0.048 0.000 1.179 161 K CB 0.190 32.721 32.500 0.051 0.000 0.884 161 K HN 0.542 nan 8.250 nan 0.000 0.493 162 Q N 0.793 120.618 119.800 0.042 0.000 2.395 162 Q HA -0.230 4.111 4.340 0.002 0.000 0.326 162 Q C 0.466 176.488 176.000 0.036 0.000 1.302 162 Q CA 0.547 56.398 55.803 0.080 0.000 0.949 162 Q CB -0.511 28.328 28.738 0.167 0.000 1.204 162 Q HN 0.157 nan 8.270 nan 0.000 0.444 163 K N -1.347 119.025 120.400 -0.047 0.000 2.360 163 K HA 0.105 4.426 4.320 0.002 0.000 0.196 163 K C -0.325 175.949 176.600 -0.543 0.000 1.049 163 K CA 0.636 56.782 56.287 -0.235 0.000 1.049 163 K CB 0.576 32.948 32.500 -0.214 0.000 0.881 163 K HN 0.248 nan 8.250 nan 0.000 0.542 164 W N 1.398 122.576 121.300 -0.204 0.000 2.839 164 W HA 0.469 5.130 4.660 0.002 0.000 0.334 164 W C -0.695 175.666 176.519 -0.263 0.000 1.064 164 W CA -0.585 56.594 57.345 -0.277 0.000 1.236 164 W CB 1.162 30.338 29.460 -0.474 0.000 1.405 164 W HN -0.296 nan 8.180 nan 0.000 0.478 165 L N 4.795 126.146 121.223 0.213 0.000 2.356 165 L HA 0.619 4.959 4.340 0.002 0.000 0.277 165 L C -0.992 176.044 176.870 0.277 0.000 0.996 165 L CA -1.221 53.776 54.840 0.262 0.000 0.822 165 L CB 1.460 43.872 42.059 0.588 0.000 1.256 165 L HN 0.214 nan 8.230 nan 0.000 0.413 166 L N 4.535 125.895 121.223 0.228 0.000 2.325 166 L HA 0.587 4.927 4.340 0.002 0.000 0.281 166 L C -1.061 175.963 176.870 0.257 0.000 1.004 166 L CA -0.428 54.543 54.840 0.220 0.000 0.823 166 L CB 1.670 43.870 42.059 0.235 0.000 1.236 166 L HN 0.505 nan 8.230 nan 0.000 0.415 167 L N 4.932 126.369 121.223 0.357 0.000 2.298 167 L HA 0.672 5.013 4.340 0.002 0.000 0.284 167 L C -0.646 176.341 176.870 0.195 0.000 1.013 167 L CA 0.299 55.394 54.840 0.426 0.000 0.824 167 L CB 1.608 43.973 42.059 0.511 0.000 1.221 167 L HN 0.662 nan 8.230 nan 0.000 0.418 168 T N 4.087 118.715 114.554 0.123 0.000 2.797 168 T HA 0.848 5.199 4.350 0.002 0.000 0.279 168 T C 0.026 174.724 174.700 -0.003 0.000 0.991 168 T CA -0.324 61.807 62.100 0.052 0.000 0.979 168 T CB 1.490 70.400 68.868 0.070 0.000 0.943 168 T HN 0.862 nan 8.240 nan 0.000 0.444 169 G N 1.627 110.421 108.800 -0.010 0.000 2.658 169 G HA2 0.867 4.828 3.960 0.002 0.000 0.292 169 G HA3 0.867 4.828 3.960 0.002 0.000 0.292 169 G C -1.125 173.753 174.900 -0.037 0.000 1.320 169 G CA -0.992 44.095 45.100 -0.022 0.000 0.933 169 G HN 0.921 nan 8.290 nan 0.000 0.476 170 I N -2.143 118.404 120.570 -0.038 0.000 3.095 170 I HA 0.907 5.078 4.170 0.002 0.000 0.310 170 I C -0.561 175.524 176.117 -0.054 0.000 1.196 170 I CA -1.099 60.162 61.300 -0.065 0.000 0.985 170 I CB 2.439 40.389 38.000 -0.082 0.000 1.250 170 I HN 0.743 nan 8.210 nan 0.000 0.446 171 S N 1.898 117.557 115.700 -0.070 0.000 2.565 171 S HA 0.803 5.274 4.470 0.002 0.000 0.269 171 S C -0.842 173.726 174.600 -0.053 0.000 1.153 171 S CA -0.606 57.566 58.200 -0.045 0.000 0.835 171 S CB 1.466 64.647 63.200 -0.031 0.000 1.122 171 S HN 1.285 nan 8.310 nan 0.000 0.462 172 A N 1.425 124.227 122.820 -0.030 0.000 2.316 172 A HA 0.646 4.967 4.320 0.002 0.000 0.311 172 A C -0.145 177.427 177.584 -0.020 0.000 1.339 172 A CA -0.348 51.675 52.037 -0.024 0.000 0.960 172 A CB -0.234 18.763 19.000 -0.004 0.000 1.152 172 A HN 0.664 nan 8.150 nan 0.000 0.547 173 Q N 1.379 121.162 119.800 -0.028 0.000 2.285 173 Q HA 0.399 4.740 4.340 0.002 0.000 0.269 173 Q C -0.835 175.152 176.000 -0.022 0.000 1.030 173 Q CA -0.590 55.200 55.803 -0.023 0.000 0.788 173 Q CB 1.853 30.574 28.738 -0.028 0.000 1.266 173 Q HN 0.823 nan 8.270 nan 0.000 0.438 174 Q N 1.484 121.275 119.800 -0.015 0.000 2.487 174 Q HA -0.286 4.055 4.340 0.002 0.000 0.279 174 Q C -1.018 174.974 176.000 -0.014 0.000 1.228 174 Q CA 0.725 56.520 55.803 -0.014 0.000 0.873 174 Q CB -1.665 27.062 28.738 -0.017 0.000 1.260 174 Q HN 0.960 nan 8.270 nan 0.000 0.471 175 N N -0.165 118.529 118.700 -0.010 0.000 2.714 175 N HA -0.259 4.482 4.740 0.002 0.000 0.253 175 N C -0.545 174.959 175.510 -0.010 0.000 1.024 175 N CA 1.240 54.287 53.050 -0.005 0.000 0.726 175 N CB -0.625 37.859 38.487 -0.004 0.000 0.908 175 N HN 0.673 nan 8.380 nan 0.000 0.542 176 R N -3.360 117.130 120.500 -0.016 0.000 2.833 176 R HA 0.393 4.734 4.340 0.002 0.000 0.259 176 R C -1.689 174.579 176.300 -0.054 0.000 1.047 176 R CA -1.012 55.072 56.100 -0.026 0.000 0.916 176 R CB 0.633 30.913 30.300 -0.033 0.000 1.259 176 R HN -0.091 nan 8.270 nan 0.000 0.482 177 V N 2.860 122.707 119.914 -0.112 0.000 2.405 177 V HA 0.282 4.403 4.120 0.002 0.000 0.264 177 V C 0.472 176.508 176.094 -0.096 0.000 1.048 177 V CA -0.388 61.780 62.300 -0.220 0.000 0.966 177 V CB 0.839 32.264 31.823 -0.664 0.000 1.015 177 V HN 0.549 nan 8.190 nan 0.000 0.477 178 V N 2.703 122.567 119.914 -0.083 0.000 2.472 178 V HA 0.899 5.020 4.120 0.002 0.000 0.290 178 V C 0.634 176.602 176.094 -0.210 0.000 1.037 178 V CA -0.474 61.762 62.300 -0.107 0.000 0.908 178 V CB 1.285 33.052 31.823 -0.093 0.000 0.985 178 V HN 0.785 nan 8.190 nan 0.000 0.454 179 G N 2.715 111.227 108.800 -0.481 0.000 2.322 179 G HA2 0.655 4.616 3.960 0.002 0.000 0.309 179 G HA3 0.655 4.616 3.960 0.002 0.000 0.309 179 G C -0.228 174.517 174.900 -0.260 0.000 1.121 179 G CA -0.229 44.603 45.100 -0.446 0.000 0.886 179 G HN 1.508 nan 8.290 nan 0.000 0.447 180 A N 3.803 126.530 122.820 -0.156 0.000 2.267 180 A HA 0.739 5.060 4.320 0.002 0.000 0.315 180 A C 0.114 177.645 177.584 -0.089 0.000 1.297 180 A CA -0.524 51.441 52.037 -0.120 0.000 0.865 180 A CB 0.537 19.485 19.000 -0.087 0.000 1.165 180 A HN 0.665 nan 8.150 nan 0.000 0.513 181 M N 1.520 121.054 119.600 -0.111 0.000 2.472 181 M HA 0.435 4.916 4.480 0.002 0.000 0.331 181 M C -0.206 176.038 176.300 -0.092 0.000 1.170 181 M CA -0.341 54.913 55.300 -0.076 0.000 1.009 181 M CB 2.103 34.647 32.600 -0.093 0.000 1.672 181 M HN 0.778 nan 8.290 nan 0.000 0.453 182 Q N 3.001 122.785 119.800 -0.026 0.000 2.363 182 Q HA 0.474 4.815 4.340 0.002 0.000 0.265 182 Q C -2.029 173.944 176.000 -0.045 0.000 1.032 182 Q CA -0.716 55.066 55.803 -0.035 0.000 0.746 182 Q CB 1.503 30.274 28.738 0.056 0.000 1.237 182 Q HN 0.664 nan 8.270 nan 0.000 0.475 183 L N 5.362 126.525 121.223 -0.101 0.000 2.264 183 L HA 0.408 4.749 4.340 0.002 0.000 0.287 183 L C -1.759 175.086 176.870 -0.043 0.000 1.039 183 L CA -0.372 54.412 54.840 -0.094 0.000 0.829 183 L CB 0.586 42.504 42.059 -0.235 0.000 1.211 183 L HN 0.653 nan 8.230 nan 0.000 0.427 184 Y N 3.552 123.705 120.300 -0.245 0.000 2.342 184 Y HA 0.511 5.062 4.550 0.002 0.000 0.334 184 Y C 0.060 175.807 175.900 -0.254 0.000 1.067 184 Y CA -0.222 57.649 58.100 -0.382 0.000 1.128 184 Y CB 1.630 39.531 38.460 -0.932 0.000 1.200 184 Y HN 0.642 nan 8.280 nan 0.000 0.464 185 S N 5.496 120.552 115.700 -1.074 0.000 2.474 185 S HA 0.266 4.737 4.470 0.002 0.000 0.320 185 S C 0.585 174.424 174.600 -1.268 0.000 1.067 185 S CA -0.669 56.782 58.200 -1.248 0.000 1.127 185 S CB 0.254 62.837 63.200 -1.028 0.000 0.971 185 S HN 0.737 nan 8.310 nan 0.000 0.472 186 V N 4.676 124.134 119.914 -0.760 0.000 2.324 186 V HA -0.163 3.958 4.120 0.002 0.000 0.250 186 V C 2.068 177.979 176.094 -0.304 0.000 1.060 186 V CA 2.155 64.309 62.300 -0.245 0.000 1.042 186 V CB -0.515 31.241 31.823 -0.111 0.000 0.650 186 V HN 0.733 nan 8.190 nan 0.000 0.450 187 D N 0.129 120.276 120.400 -0.422 0.000 2.084 187 D HA -0.110 4.530 4.640 0.002 0.000 0.196 187 D C 2.303 178.448 176.300 -0.259 0.000 0.985 187 D CA 1.270 55.099 54.000 -0.286 0.000 0.826 187 D CB -0.264 40.374 40.800 -0.271 0.000 0.978 187 D HN 0.434 nan 8.370 nan 0.000 0.456 188 R N 0.721 121.013 120.500 -0.347 0.000 2.313 188 R HA 0.064 4.405 4.340 0.002 0.000 0.199 188 R C 0.211 176.354 176.300 -0.261 0.000 0.958 188 R CA -0.006 55.940 56.100 -0.256 0.000 1.047 188 R CB 0.191 30.352 30.300 -0.231 0.000 0.955 188 R HN -0.059 nan 8.270 nan 0.000 0.481 189 K N 0.004 120.192 120.400 -0.353 0.000 2.975 189 K HA -0.169 4.152 4.320 0.002 0.000 0.257 189 K C -0.442 176.030 176.600 -0.213 0.000 1.005 189 K CA 0.660 56.809 56.287 -0.230 0.000 0.738 189 K CB -2.287 30.194 32.500 -0.032 0.000 1.236 189 K HN 0.223 nan 8.250 nan 0.000 0.483 190 V N 0.373 120.044 119.914 -0.406 0.000 2.823 190 V HA 0.657 4.778 4.120 0.002 0.000 0.312 190 V C -0.658 175.286 176.094 -0.250 0.000 1.072 190 V CA -0.131 62.041 62.300 -0.215 0.000 0.937 190 V CB 2.339 34.080 31.823 -0.136 0.000 1.013 190 V HN 0.444 nan 8.190 nan 0.000 0.430 191 S N 4.963 120.631 115.700 -0.052 0.000 2.532 191 S HA 0.615 5.086 4.470 0.002 0.000 0.299 191 S C -0.935 173.684 174.600 0.032 0.000 1.105 191 S CA -0.663 57.529 58.200 -0.014 0.000 1.018 191 S CB 1.697 64.939 63.200 0.070 0.000 1.021 191 S HN 0.907 nan 8.310 nan 0.000 0.483 192 Q N 2.193 121.984 119.800 -0.015 0.000 2.307 192 Q HA 0.486 4.827 4.340 0.002 0.000 0.262 192 Q C -2.835 173.098 176.000 -0.113 0.000 0.961 192 Q CA -2.276 53.505 55.803 -0.037 0.000 0.882 192 Q CB 1.204 29.919 28.738 -0.039 0.000 1.264 192 Q HN 0.376 nan 8.270 nan 0.000 0.446 193 P HA 0.240 nan 4.420 nan 0.000 0.275 193 P C -1.004 176.175 177.300 -0.201 0.000 1.227 193 P CA 0.214 63.145 63.100 -0.281 0.000 0.781 193 P CB 0.673 32.132 31.700 -0.402 0.000 0.906 194 I N 0.638 121.081 120.570 -0.213 0.000 2.827 194 I HA 0.275 4.446 4.170 0.002 0.000 0.298 194 I C -0.024 175.973 176.117 -0.200 0.000 1.235 194 I CA -0.857 60.307 61.300 -0.227 0.000 1.021 194 I CB 2.652 40.433 38.000 -0.365 0.000 1.259 194 I HN 0.220 nan 8.210 nan 0.000 0.427 195 E N 3.347 123.459 120.200 -0.147 0.000 2.130 195 E HA 0.621 4.972 4.350 0.002 0.000 0.284 195 E C -0.570 175.979 176.600 -0.084 0.000 1.018 195 E CA -0.254 56.072 56.400 -0.123 0.000 0.817 195 E CB 1.309 30.964 29.700 -0.076 0.000 1.078 195 E HN 0.836 nan 8.360 nan 0.000 0.396 196 G N 2.938 111.642 108.800 -0.159 0.000 2.673 196 G HA2 0.173 4.134 3.960 0.002 0.000 0.292 196 G HA3 0.173 4.134 3.960 0.002 0.000 0.292 196 G C -0.504 174.295 174.900 -0.169 0.000 1.450 196 G CA -0.449 44.625 45.100 -0.044 0.000 0.837 196 G HN 0.566 nan 8.290 nan 0.000 0.505 197 H N -0.113 119.041 119.070 0.141 0.000 2.373 197 H HA 0.534 5.091 4.556 0.002 0.000 0.290 197 H C 1.158 176.582 175.328 0.161 0.000 0.989 197 H CA 1.118 57.249 56.048 0.138 0.000 1.250 197 H CB 1.284 31.176 29.762 0.217 0.000 1.477 197 H HN 0.714 nan 8.280 nan 0.000 0.551 198 A N 0.459 123.460 122.820 0.303 0.000 2.469 198 A HA 0.797 5.118 4.320 0.002 0.000 0.299 198 A C -1.043 176.629 177.584 0.148 0.000 1.098 198 A CA 0.152 52.316 52.037 0.212 0.000 0.737 198 A CB 2.041 21.164 19.000 0.205 0.000 1.312 198 A HN 0.419 nan 8.150 nan 0.000 0.414 199 A N -0.397 122.481 122.820 0.096 0.000 2.515 199 A HA 0.904 5.225 4.320 0.002 0.000 0.292 199 A C -0.577 176.994 177.584 -0.022 0.000 1.065 199 A CA 0.284 52.314 52.037 -0.012 0.000 0.641 199 A CB 0.393 19.371 19.000 -0.038 0.000 1.306 199 A HN 2.518 nan 8.150 nan 0.000 0.441 200 S N -0.990 114.625 115.700 -0.141 0.000 2.578 200 S HA 0.745 5.216 4.470 0.002 0.000 0.272 200 S C -1.493 173.004 174.600 -0.171 0.000 1.145 200 S CA -0.544 57.615 58.200 -0.069 0.000 0.835 200 S CB 0.442 63.673 63.200 0.053 0.000 1.104 200 S HN 1.045 nan 8.310 nan 0.000 0.458 201 F N 1.672 121.723 119.950 0.168 0.000 2.410 201 F HA 0.896 5.424 4.527 0.002 0.000 0.324 201 F C 0.870 176.720 175.800 0.083 0.000 1.093 201 F CA 0.260 58.349 58.000 0.148 0.000 1.028 201 F CB 1.666 40.757 39.000 0.151 0.000 1.309 201 F HN 0.909 nan 8.300 nan 0.000 0.499 202 A N 0.603 123.587 122.820 0.273 0.000 2.582 202 A HA 0.501 4.822 4.320 0.002 0.000 0.297 202 A C -1.711 175.958 177.584 0.140 0.000 1.059 202 A CA -0.909 51.223 52.037 0.158 0.000 0.705 202 A CB 1.366 20.407 19.000 0.068 0.000 1.279 202 A HN 0.471 nan 8.150 nan 0.000 0.404 203 Q N 0.614 120.500 119.800 0.143 0.000 2.243 203 Q HA 0.668 5.009 4.340 0.002 0.000 0.252 203 Q C -1.638 174.493 176.000 0.219 0.000 0.909 203 Q CA 0.031 55.919 55.803 0.142 0.000 0.922 203 Q CB 1.776 30.580 28.738 0.110 0.000 1.215 203 Q HN 0.640 nan 8.270 nan 0.000 0.427 204 F N 1.347 121.289 119.950 -0.014 0.000 2.588 204 F HA 0.298 4.826 4.527 0.002 0.000 0.314 204 F C -0.858 174.954 175.800 0.020 0.000 1.134 204 F CA -0.885 57.108 58.000 -0.012 0.000 0.961 204 F CB 1.512 40.465 39.000 -0.079 0.000 1.239 204 F HN 0.300 nan 8.300 nan 0.000 0.448 205 K N 7.967 128.012 120.400 -0.591 0.000 2.300 205 K HA 0.427 4.748 4.320 0.002 0.000 0.264 205 K C -0.581 175.640 176.600 -0.632 0.000 1.083 205 K CA -0.479 55.550 56.287 -0.430 0.000 0.958 205 K CB 0.510 32.870 32.500 -0.234 0.000 1.318 205 K HN 0.762 nan 8.250 nan 0.000 0.448 206 M N 2.796 122.162 119.600 -0.390 0.000 2.248 206 M HA 0.030 4.511 4.480 0.002 0.000 0.345 206 M C 0.563 176.792 176.300 -0.119 0.000 1.243 206 M CA 0.341 55.530 55.300 -0.185 0.000 1.090 206 M CB 0.331 32.986 32.600 0.090 0.000 1.683 206 M HN 0.383 nan 8.290 nan 0.000 0.450 207 E N 1.600 121.756 120.200 -0.074 0.000 2.467 207 E HA -0.008 4.343 4.350 0.002 0.000 0.264 207 E C 1.089 177.679 176.600 -0.016 0.000 1.020 207 E CA 1.356 57.733 56.400 -0.039 0.000 0.945 207 E CB 0.485 30.183 29.700 -0.004 0.000 0.942 207 E HN 0.952 nan 8.360 nan 0.000 0.449 208 G N 2.871 111.662 108.800 -0.015 0.000 2.148 208 G HA2 -0.276 3.685 3.960 0.002 0.000 0.254 208 G HA3 -0.276 3.685 3.960 0.002 0.000 0.254 208 G C 0.039 174.938 174.900 -0.002 0.000 0.981 208 G CA 0.334 45.432 45.100 -0.004 0.000 0.670 208 G HN 0.460 nan 8.290 nan 0.000 0.528 209 N N -0.754 117.938 118.700 -0.013 0.000 2.296 209 N HA 0.722 5.463 4.740 0.002 0.000 0.294 209 N C 0.840 176.341 175.510 -0.015 0.000 1.033 209 N CA 0.229 53.275 53.050 -0.006 0.000 0.839 209 N CB 1.688 40.176 38.487 0.001 0.000 1.395 209 N HN 0.317 nan 8.380 nan 0.000 0.479 210 A N 1.223 124.041 122.820 -0.004 0.000 1.975 210 A HA 0.067 4.388 4.320 0.002 0.000 0.215 210 A C 0.391 177.973 177.584 -0.004 0.000 1.170 210 A CA 1.114 53.148 52.037 -0.005 0.000 0.656 210 A CB 0.082 19.083 19.000 0.003 0.000 0.821 210 A HN 0.475 nan 8.150 nan 0.000 0.449 211 E N 0.862 121.064 120.200 0.004 0.000 2.183 211 E HA 0.361 4.712 4.350 0.002 0.000 0.271 211 E C -0.626 175.978 176.600 0.007 0.000 0.919 211 E CA -0.446 55.960 56.400 0.010 0.000 0.781 211 E CB 1.024 30.739 29.700 0.024 0.000 1.140 211 E HN 0.488 nan 8.360 nan 0.000 0.402 212 E N 0.643 120.848 120.200 0.007 0.000 2.447 212 E HA 0.082 4.433 4.350 0.002 0.000 0.259 212 E C -0.093 176.530 176.600 0.039 0.000 1.196 212 E CA 0.333 56.737 56.400 0.007 0.000 0.995 212 E CB 0.545 30.260 29.700 0.026 0.000 0.974 212 E HN 0.216 nan 8.360 nan 0.000 0.465 213 S N -0.335 115.398 115.700 0.056 0.000 2.536 213 S HA 0.274 4.745 4.470 0.002 0.000 0.298 213 S C -0.876 173.767 174.600 0.071 0.000 1.083 213 S CA -0.766 57.480 58.200 0.077 0.000 0.995 213 S CB 1.571 64.836 63.200 0.109 0.000 1.058 213 S HN 0.361 nan 8.310 nan 0.000 0.488 214 T N 5.231 119.821 114.554 0.059 0.000 2.811 214 T HA 0.393 4.744 4.350 0.002 0.000 0.309 214 T C -0.222 174.485 174.700 0.010 0.000 1.005 214 T CA -0.269 61.864 62.100 0.056 0.000 0.955 214 T CB -0.282 68.625 68.868 0.065 0.000 0.970 214 T HN 0.467 nan 8.240 nan 0.000 0.496 215 L N 3.185 124.418 121.223 0.017 0.000 2.379 215 L HA 0.635 4.976 4.340 0.002 0.000 0.269 215 L C -0.417 176.540 176.870 0.145 0.000 1.084 215 L CA -0.965 53.846 54.840 -0.049 0.000 0.802 215 L CB 0.894 42.801 42.059 -0.254 0.000 1.175 215 L HN 0.521 nan 8.230 nan 0.000 0.448 216 F N 2.761 122.649 119.950 -0.104 0.000 2.553 216 F HA 0.427 4.955 4.527 0.002 0.000 0.335 216 F C -0.674 175.057 175.800 -0.114 0.000 1.148 216 F CA -1.116 56.769 58.000 -0.192 0.000 0.963 216 F CB 1.122 40.013 39.000 -0.182 0.000 1.217 216 F HN 0.410 nan 8.300 nan 0.000 0.441 217 C N 8.789 127.734 119.300 -0.592 0.000 2.351 217 C HA 0.892 5.352 4.460 0.002 0.000 0.326 217 C C -0.998 173.635 174.990 -0.595 0.000 1.272 217 C CA -0.565 58.132 59.018 -0.535 0.000 1.650 217 C CB -0.509 27.038 27.740 -0.321 0.000 2.257 217 C HN 0.796 nan 8.230 nan 0.000 0.505 218 F N 3.917 123.478 119.950 -0.648 0.000 2.619 218 F HA 0.850 5.378 4.527 0.001 0.000 0.308 218 F C -0.503 175.172 175.800 -0.208 0.000 1.097 218 F CA -0.726 57.011 58.000 -0.439 0.000 0.953 218 F CB 0.961 39.660 39.000 -0.502 0.000 1.287 218 F HN 0.780 nan 8.300 nan 0.000 0.446 219 A N 2.294 125.093 122.820 -0.036 0.000 2.355 219 A HA 0.904 5.225 4.320 0.002 0.000 0.324 219 A C -1.567 176.130 177.584 0.188 0.000 1.117 219 A CA -0.901 51.102 52.037 -0.056 0.000 0.785 219 A CB 1.835 20.801 19.000 -0.056 0.000 1.254 219 A HN 1.620 nan 8.150 nan 0.000 0.453 220 V N 1.886 121.911 119.914 0.184 0.000 3.048 220 V HA 0.616 4.737 4.120 0.002 0.000 0.303 220 V C -1.081 175.172 176.094 0.265 0.000 1.214 220 V CA -0.711 61.782 62.300 0.323 0.000 0.984 220 V CB 2.161 34.131 31.823 0.245 0.000 1.054 220 V HN 0.940 nan 8.190 nan 0.000 0.430 221 R N 3.585 124.298 120.500 0.355 0.000 2.423 221 R HA 0.550 4.891 4.340 0.002 0.000 0.293 221 R C 0.182 176.533 176.300 0.086 0.000 1.196 221 R CA 0.261 56.396 56.100 0.057 0.000 1.262 221 R CB 0.933 31.090 30.300 -0.239 0.000 1.116 221 R HN 0.983 nan 8.270 nan 0.000 0.566 222 G N 0.425 109.254 108.800 0.048 0.000 2.537 222 G HA2 0.024 3.985 3.960 0.002 0.000 0.297 222 G HA3 0.024 3.985 3.960 0.002 0.000 0.297 222 G C 0.426 175.321 174.900 -0.009 0.000 1.310 222 G CA -0.376 44.738 45.100 0.022 0.000 1.027 222 G HN 0.551 nan 8.290 nan 0.000 0.505 223 Q N -0.713 119.081 119.800 -0.010 0.000 2.291 223 Q HA -0.064 4.277 4.340 0.002 0.000 0.206 223 Q C 2.127 178.119 176.000 -0.015 0.000 0.976 223 Q CA 1.108 56.900 55.803 -0.018 0.000 0.875 223 Q CB -0.051 28.678 28.738 -0.014 0.000 0.927 223 Q HN 0.472 nan 8.270 nan 0.000 0.450 224 A N 0.628 123.447 122.820 -0.002 0.000 2.411 224 A HA 0.450 4.771 4.320 0.002 0.000 0.251 224 A C 0.821 178.404 177.584 -0.001 0.000 1.317 224 A CA 0.508 52.547 52.037 0.004 0.000 0.904 224 A CB -0.493 18.519 19.000 0.020 0.000 0.993 224 A HN 0.353 nan 8.150 nan 0.000 0.504 225 G N -1.188 107.596 108.800 -0.025 0.000 2.741 225 G HA2 0.228 4.188 3.960 0.002 0.000 0.222 225 G HA3 0.228 4.188 3.960 0.002 0.000 0.222 225 G C 0.358 175.240 174.900 -0.030 0.000 1.364 225 G CA -0.368 44.703 45.100 -0.048 0.000 0.866 225 G HN 1.459 nan 8.290 nan 0.000 0.555 226 G N -0.101 108.695 108.800 -0.006 0.000 2.370 226 G HA2 0.588 4.549 3.960 0.002 0.000 0.272 226 G HA3 0.588 4.549 3.960 0.002 0.000 0.272 226 G C -0.165 174.758 174.900 0.038 0.000 1.208 226 G CA 0.063 45.208 45.100 0.075 0.000 0.856 226 G HN 0.652 nan 8.290 nan 0.000 0.500 227 K N 0.932 121.314 120.400 -0.030 0.000 2.482 227 K HA 0.520 4.841 4.320 0.002 0.000 0.257 227 K C -1.663 174.707 176.600 -0.383 0.000 0.969 227 K CA -0.931 55.228 56.287 -0.212 0.000 0.842 227 K CB 2.963 35.317 32.500 -0.243 0.000 1.359 227 K HN 0.359 nan 8.250 nan 0.000 0.441 228 L N 1.804 122.654 121.223 -0.622 0.000 2.381 228 L HA 0.422 4.763 4.340 0.002 0.000 0.274 228 L C -1.217 175.103 176.870 -0.917 0.000 0.988 228 L CA -0.289 54.118 54.840 -0.721 0.000 0.824 228 L CB 1.261 42.860 42.059 -0.767 0.000 1.263 228 L HN 0.584 nan 8.230 nan 0.000 0.410 229 H N 5.961 124.565 119.070 -0.776 0.000 2.569 229 H HA 0.584 5.140 4.556 0.002 0.000 0.357 229 H C -0.979 174.041 175.328 -0.514 0.000 1.153 229 H CA -0.612 55.045 56.048 -0.652 0.000 1.193 229 H CB 2.461 31.697 29.762 -0.876 0.000 1.602 229 H HN 0.506 nan 8.280 nan 0.000 0.523 230 I N 4.528 125.017 120.570 -0.136 0.000 2.503 230 I HA 0.262 4.433 4.170 0.002 0.000 0.282 230 I C -0.110 176.076 176.117 0.116 0.000 1.059 230 I CA -0.392 60.861 61.300 -0.079 0.000 1.081 230 I CB 1.352 39.332 38.000 -0.034 0.000 1.210 230 I HN 0.391 nan 8.210 nan 0.000 0.450 231 I N 1.642 122.263 120.570 0.086 0.000 2.892 231 I HA 0.620 4.791 4.170 0.002 0.000 0.306 231 I C -0.568 175.610 176.117 0.102 0.000 1.078 231 I CA -0.722 60.691 61.300 0.188 0.000 1.032 231 I CB 2.381 40.498 38.000 0.195 0.000 1.229 231 I HN 0.515 nan 8.210 nan 0.000 0.435 232 E N 3.016 123.310 120.200 0.155 0.000 2.313 232 E HA 0.418 4.769 4.350 0.002 0.000 0.276 232 E C -1.597 174.984 176.600 -0.032 0.000 1.031 232 E CA -0.636 55.797 56.400 0.055 0.000 0.857 232 E CB 1.975 31.772 29.700 0.163 0.000 1.040 232 E HN 0.564 nan 8.360 nan 0.000 0.408 233 V N 4.984 124.782 119.914 -0.194 0.000 2.459 233 V HA 0.706 4.827 4.120 0.002 0.000 0.295 233 V C 0.242 176.105 176.094 -0.384 0.000 1.029 233 V CA 0.932 62.897 62.300 -0.559 0.000 0.874 233 V CB 0.679 31.826 31.823 -1.127 0.000 0.985 233 V HN 1.036 nan 8.190 nan 0.000 0.438 234 G N 4.790 113.552 108.800 -0.064 0.000 2.698 234 G HA2 -0.155 3.806 3.960 0.002 0.000 0.225 234 G HA3 -0.155 3.806 3.960 0.002 0.000 0.225 234 G C -0.199 174.829 174.900 0.214 0.000 1.345 234 G CA -0.284 45.086 45.100 0.450 0.000 0.871 234 G HN 0.971 nan 8.290 nan 0.000 0.540 235 T N 3.323 117.998 114.554 0.202 0.000 2.780 235 T HA 0.554 4.905 4.350 0.002 0.000 0.294 235 T C -1.868 172.900 174.700 0.113 0.000 0.949 235 T CA -0.237 61.939 62.100 0.126 0.000 1.074 235 T CB 1.230 70.156 68.868 0.096 0.000 0.910 235 T HN 0.573 nan 8.240 nan 0.000 0.501 236 P HA 0.143 nan 4.420 nan 0.000 0.265 236 P C -2.431 174.915 177.300 0.076 0.000 1.187 236 P CA -0.954 62.200 63.100 0.090 0.000 0.766 236 P CB -0.351 31.399 31.700 0.084 0.000 0.820 237 P HA -0.007 nan 4.420 nan 0.000 0.266 237 P C -0.215 177.113 177.300 0.047 0.000 1.195 237 P CA 0.358 63.493 63.100 0.057 0.000 0.768 237 P CB 0.137 31.868 31.700 0.052 0.000 0.838 238 T N 3.108 117.685 114.554 0.039 0.000 2.822 238 T HA 0.249 4.600 4.350 0.002 0.000 0.288 238 T C 1.405 176.123 174.700 0.029 0.000 0.991 238 T CA 1.925 64.044 62.100 0.032 0.000 1.176 238 T CB -0.757 68.127 68.868 0.026 0.000 0.951 238 T HN 0.811 nan 8.240 nan 0.000 0.526 239 G N 3.885 112.702 108.800 0.029 0.000 2.195 239 G HA2 -0.208 3.753 3.960 0.002 0.000 0.224 239 G HA3 -0.208 3.753 3.960 0.002 0.000 0.224 239 G C 0.091 175.008 174.900 0.028 0.000 0.990 239 G CA -0.319 44.796 45.100 0.025 0.000 0.639 239 G HN 0.683 nan 8.290 nan 0.000 0.514 240 N N 0.493 119.215 118.700 0.036 0.000 2.508 240 N HA 0.463 5.204 4.740 0.002 0.000 0.285 240 N C -0.069 175.471 175.510 0.049 0.000 1.144 240 N CA -0.702 52.374 53.050 0.042 0.000 0.978 240 N CB 0.554 39.074 38.487 0.054 0.000 1.180 240 N HN 0.077 nan 8.380 nan 0.000 0.484 241 Q N 1.428 121.260 119.800 0.053 0.000 2.260 241 Q HA 0.352 4.693 4.340 0.002 0.000 0.238 241 Q C -2.228 173.823 176.000 0.084 0.000 0.948 241 Q CA -1.478 54.358 55.803 0.055 0.000 0.895 241 Q CB 0.846 29.611 28.738 0.045 0.000 1.218 241 Q HN 0.434 nan 8.270 nan 0.000 0.470 242 P HA 0.161 nan 4.420 nan 0.000 0.284 242 P C -0.862 176.527 177.300 0.148 0.000 1.253 242 P CA -0.429 62.741 63.100 0.116 0.000 0.800 242 P CB 0.432 32.182 31.700 0.084 0.000 0.961 243 F N 5.810 125.801 119.950 0.067 0.000 2.471 243 F HA 0.253 4.781 4.527 0.001 0.000 0.365 243 F C -1.693 174.144 175.800 0.061 0.000 1.095 243 F CA -2.250 55.801 58.000 0.085 0.000 1.174 243 F CB 0.315 39.385 39.000 0.117 0.000 1.105 243 F HN 0.179 nan 8.300 nan 0.000 0.535 244 P HA -0.015 nan 4.420 nan 0.000 0.266 244 P C -1.170 175.952 177.300 -0.298 0.000 1.215 244 P CA -0.275 62.642 63.100 -0.305 0.000 0.763 244 P CB 0.420 31.942 31.700 -0.297 0.000 0.806 245 K N 2.774 123.165 120.400 -0.014 0.000 2.484 245 K HA 0.154 4.475 4.320 0.002 0.000 0.280 245 K C -0.276 176.344 176.600 0.032 0.000 1.013 245 K CA -0.112 56.234 56.287 0.099 0.000 1.029 245 K CB 0.338 32.905 32.500 0.113 0.000 0.902 245 K HN 0.143 nan 8.250 nan 0.000 0.481 246 K N 1.189 121.636 120.400 0.079 0.000 2.156 246 K HA 0.632 4.953 4.320 0.002 0.000 0.250 246 K C -1.271 175.305 176.600 -0.041 0.000 0.955 246 K CA -0.583 55.707 56.287 0.004 0.000 0.855 246 K CB 2.222 34.733 32.500 0.018 0.000 1.101 246 K HN 0.806 nan 8.250 nan 0.000 0.434 247 A N 1.094 123.856 122.820 -0.097 0.000 2.488 247 A HA 0.667 4.988 4.320 0.002 0.000 0.295 247 A C -1.285 176.172 177.584 -0.212 0.000 1.045 247 A CA -0.654 51.246 52.037 -0.229 0.000 0.703 247 A CB 0.861 19.787 19.000 -0.124 0.000 1.271 247 A HN 0.543 nan 8.150 nan 0.000 0.400 248 V N -1.233 118.503 119.914 -0.297 0.000 3.181 248 V HA 0.731 4.852 4.120 0.002 0.000 0.308 248 V C -1.178 174.808 176.094 -0.179 0.000 1.214 248 V CA -1.104 61.095 62.300 -0.168 0.000 1.053 248 V CB 1.986 33.754 31.823 -0.092 0.000 1.069 248 V HN 0.689 nan 8.190 nan 0.000 0.441 249 D N 1.836 122.205 120.400 -0.052 0.000 2.256 249 D HA 0.497 5.138 4.640 0.002 0.000 0.250 249 D C -0.095 176.251 176.300 0.075 0.000 1.093 249 D CA 0.140 54.143 54.000 0.005 0.000 0.882 249 D CB 1.964 42.803 40.800 0.065 0.000 1.185 249 D HN 0.961 nan 8.370 nan 0.000 0.437 250 V N 0.569 120.530 119.914 0.077 0.000 2.398 250 V HA 0.480 4.601 4.120 0.002 0.000 0.286 250 V C -0.331 175.881 176.094 0.196 0.000 1.026 250 V CA -1.007 61.355 62.300 0.105 0.000 0.868 250 V CB 0.985 32.785 31.823 -0.039 0.000 0.982 250 V HN 0.284 nan 8.190 nan 0.000 0.443 251 F N 6.025 126.010 119.950 0.058 0.000 2.429 251 F HA 0.732 5.260 4.527 0.001 0.000 0.348 251 F C -0.847 174.900 175.800 -0.088 0.000 1.109 251 F CA -0.919 57.122 58.000 0.068 0.000 1.232 251 F CB 0.842 39.864 39.000 0.035 0.000 1.157 251 F HN 0.516 nan 8.300 nan 0.000 0.564 252 F N 6.738 125.898 119.950 -1.316 0.000 2.536 252 F HA 0.413 4.941 4.527 0.001 0.000 0.322 252 F C -2.112 172.772 175.800 -1.526 0.000 1.144 252 F CA -2.071 55.262 58.000 -1.111 0.000 0.924 252 F CB 1.390 40.066 39.000 -0.539 0.000 1.181 252 F HN 0.351 nan 8.300 nan 0.000 0.438 253 P HA 0.194 nan 4.420 nan 0.000 0.274 253 P C -2.466 174.742 177.300 -0.153 0.000 1.256 253 P CA -1.336 61.566 63.100 -0.331 0.000 0.795 253 P CB 0.962 32.676 31.700 0.024 0.000 1.038 254 P HA -0.159 nan 4.420 nan 0.000 0.216 254 P C 1.210 178.500 177.300 -0.017 0.000 1.150 254 P CA 1.591 64.688 63.100 -0.006 0.000 0.837 254 P CB -0.026 31.695 31.700 0.035 0.000 0.786 255 E N 0.360 120.562 120.200 0.003 0.000 2.077 255 E HA -0.063 4.288 4.350 0.002 0.000 0.193 255 E C 1.172 177.755 176.600 -0.030 0.000 0.989 255 E CA 0.939 57.342 56.400 0.006 0.000 0.800 255 E CB -1.237 28.495 29.700 0.053 0.000 0.746 255 E HN 0.139 nan 8.360 nan 0.000 0.452 256 A N 2.110 124.897 122.820 -0.055 0.000 2.545 256 A HA 0.053 4.374 4.320 0.002 0.000 0.297 256 A C 0.884 178.423 177.584 -0.074 0.000 1.340 256 A CA -0.196 51.791 52.037 -0.083 0.000 1.016 256 A CB -0.270 18.626 19.000 -0.174 0.000 1.122 256 A HN 0.279 nan 8.150 nan 0.000 0.537 257 Q N 2.076 121.818 119.800 -0.097 0.000 2.274 257 Q HA -0.001 4.340 4.340 0.002 0.000 0.198 257 Q C 0.195 176.140 176.000 -0.092 0.000 0.955 257 Q CA 1.138 56.888 55.803 -0.089 0.000 0.859 257 Q CB -0.066 28.627 28.738 -0.075 0.000 0.956 257 Q HN 0.715 nan 8.270 nan 0.000 0.516 258 N N 0.952 119.601 118.700 -0.085 0.000 2.234 258 N HA 0.104 4.844 4.740 0.002 0.000 0.227 258 N C -1.297 174.300 175.510 0.145 0.000 1.151 258 N CA -0.134 52.919 53.050 0.006 0.000 0.865 258 N CB 0.661 39.173 38.487 0.041 0.000 1.066 258 N HN 0.199 nan 8.380 nan 0.000 0.515 259 D N 0.813 121.258 120.400 0.075 0.000 2.345 259 D HA 0.230 4.871 4.640 0.002 0.000 0.247 259 D C -0.477 176.016 176.300 0.323 0.000 1.108 259 D CA -0.177 53.983 54.000 0.267 0.000 0.894 259 D CB 0.468 41.435 40.800 0.278 0.000 1.203 259 D HN 0.142 nan 8.370 nan 0.000 0.430 260 F N 0.040 120.147 119.950 0.262 0.000 2.692 260 F HA 0.729 5.257 4.527 0.002 0.000 0.320 260 F C -2.877 173.013 175.800 0.150 0.000 1.123 260 F CA -2.863 55.157 58.000 0.033 0.000 0.961 260 F CB 0.312 39.007 39.000 -0.508 0.000 1.383 260 F HN 0.061 nan 8.300 nan 0.000 0.483 261 P HA 0.207 nan 4.420 nan 0.000 0.271 261 P C 0.009 177.463 177.300 0.258 0.000 1.216 261 P CA 0.044 63.290 63.100 0.243 0.000 0.771 261 P CB 1.704 33.570 31.700 0.277 0.000 0.864 262 V N 1.933 121.932 119.914 0.142 0.000 3.497 262 V HA 0.595 4.716 4.120 0.002 0.000 0.272 262 V C -0.044 176.148 176.094 0.163 0.000 1.474 262 V CA 0.729 63.119 62.300 0.150 0.000 1.025 262 V CB 0.174 31.993 31.823 -0.008 0.000 0.820 262 V HN 0.662 nan 8.190 nan 0.000 0.437 263 A N 0.631 123.541 122.820 0.151 0.000 2.612 263 A HA 0.839 5.160 4.320 0.002 0.000 0.293 263 A C -1.214 176.462 177.584 0.155 0.000 1.075 263 A CA -0.345 51.783 52.037 0.152 0.000 0.680 263 A CB 1.894 20.970 19.000 0.126 0.000 1.279 263 A HN 0.241 nan 8.150 nan 0.000 0.411 264 M N 1.321 121.012 119.600 0.151 0.000 2.322 264 M HA 0.483 4.964 4.480 0.002 0.000 0.285 264 M C -2.152 174.243 176.300 0.159 0.000 1.119 264 M CA -0.393 54.999 55.300 0.155 0.000 0.953 264 M CB 2.085 34.746 32.600 0.103 0.000 1.701 264 M HN 0.739 nan 8.290 nan 0.000 0.479 265 Q N 4.247 124.172 119.800 0.209 0.000 2.359 265 Q HA 0.662 5.003 4.340 0.002 0.000 0.274 265 Q C -1.512 174.655 176.000 0.278 0.000 1.074 265 Q CA -0.391 55.533 55.803 0.202 0.000 0.810 265 Q CB 2.987 31.813 28.738 0.146 0.000 1.342 265 Q HN 0.838 nan 8.270 nan 0.000 0.427 266 I N 0.586 121.287 120.570 0.218 0.000 2.465 266 I HA 0.320 4.491 4.170 0.002 0.000 0.291 266 I C 0.030 176.278 176.117 0.219 0.000 1.014 266 I CA -0.775 60.650 61.300 0.209 0.000 1.093 266 I CB 2.160 40.226 38.000 0.110 0.000 1.267 266 I HN 0.380 nan 8.210 nan 0.000 0.431 267 S N 4.074 119.939 115.700 0.274 0.000 2.399 267 S HA 0.200 4.671 4.470 0.002 0.000 0.301 267 S C 0.790 175.477 174.600 0.145 0.000 1.093 267 S CA -0.388 57.958 58.200 0.242 0.000 1.077 267 S CB 0.651 64.097 63.200 0.410 0.000 0.980 267 S HN 0.641 nan 8.310 nan 0.000 0.494 268 E N 3.378 123.639 120.200 0.101 0.000 2.268 268 E HA -0.031 4.320 4.350 0.002 0.000 0.195 268 E C 1.817 178.441 176.600 0.041 0.000 0.995 268 E CA 0.671 57.125 56.400 0.090 0.000 0.836 268 E CB 0.113 29.864 29.700 0.085 0.000 0.763 268 E HN 0.511 nan 8.360 nan 0.000 0.491 269 K N -0.289 120.085 120.400 -0.044 0.000 2.097 269 K HA -0.122 4.199 4.320 0.002 0.000 0.205 269 K C 0.672 177.055 176.600 -0.362 0.000 1.050 269 K CA 1.446 57.588 56.287 -0.241 0.000 0.938 269 K CB 0.028 32.293 32.500 -0.391 0.000 0.718 269 K HN 0.370 nan 8.250 nan 0.000 0.442 270 H N -0.710 118.424 119.070 0.107 0.000 3.058 270 H HA 0.172 4.729 4.556 0.002 0.000 0.266 270 H C -0.721 174.653 175.328 0.077 0.000 1.135 270 H CA -0.249 55.852 56.048 0.090 0.000 1.174 270 H CB 0.784 30.597 29.762 0.085 0.000 1.581 270 H HN 0.108 nan 8.280 nan 0.000 0.553 271 D N 1.325 121.816 120.400 0.151 0.000 2.737 271 D HA -0.136 4.505 4.640 0.002 0.000 0.238 271 D C -0.839 175.479 176.300 0.030 0.000 1.157 271 D CA 0.490 54.538 54.000 0.080 0.000 0.694 271 D CB -1.025 39.840 40.800 0.107 0.000 1.021 271 D HN 0.154 nan 8.370 nan 0.000 0.420 272 V N 0.217 120.157 119.914 0.044 0.000 2.876 272 V HA 0.498 4.619 4.120 0.002 0.000 0.312 272 V C 0.330 176.376 176.094 -0.081 0.000 1.085 272 V CA -0.896 61.368 62.300 -0.060 0.000 0.945 272 V CB 2.781 34.516 31.823 -0.147 0.000 1.017 272 V HN -0.006 nan 8.190 nan 0.000 0.428 273 V N 3.863 123.710 119.914 -0.111 0.000 2.398 273 V HA 0.503 4.624 4.120 0.002 0.000 0.286 273 V C -0.836 175.211 176.094 -0.078 0.000 1.026 273 V CA -0.420 61.873 62.300 -0.012 0.000 0.868 273 V CB 1.371 33.216 31.823 0.036 0.000 0.982 273 V HN 0.653 nan 8.190 nan 0.000 0.443 274 F N 5.551 125.585 119.950 0.139 0.000 2.385 274 F HA 0.605 5.133 4.527 0.001 0.000 0.360 274 F C -0.167 175.729 175.800 0.159 0.000 1.122 274 F CA -0.507 57.582 58.000 0.147 0.000 1.090 274 F CB 1.560 40.625 39.000 0.108 0.000 1.150 274 F HN 0.342 nan 8.300 nan 0.000 0.472 275 L N 6.071 127.505 121.223 0.352 0.000 2.319 275 L HA 0.666 5.007 4.340 0.002 0.000 0.281 275 L C -1.176 175.881 176.870 0.312 0.000 1.005 275 L CA -0.275 54.737 54.840 0.287 0.000 0.828 275 L CB 0.726 42.939 42.059 0.257 0.000 1.227 275 L HN 0.472 nan 8.230 nan 0.000 0.415 276 I N 4.144 124.854 120.570 0.234 0.000 2.404 276 I HA 0.406 4.577 4.170 0.002 0.000 0.293 276 I C 0.536 176.745 176.117 0.153 0.000 0.992 276 I CA -0.599 60.823 61.300 0.203 0.000 1.149 276 I CB 2.149 40.233 38.000 0.140 0.000 1.315 276 I HN 0.736 nan 8.210 nan 0.000 0.446 277 T N 1.620 116.273 114.554 0.165 0.000 2.847 277 T HA 0.185 4.536 4.350 0.002 0.000 0.279 277 T C 0.972 175.652 174.700 -0.033 0.000 0.984 277 T CA -0.564 61.590 62.100 0.090 0.000 0.988 277 T CB 1.520 70.478 68.868 0.150 0.000 1.040 277 T HN 0.623 nan 8.240 nan 0.000 0.528 278 K N 0.231 120.457 120.400 -0.290 0.000 2.211 278 K HA -0.099 4.222 4.320 0.002 0.000 0.204 278 K C 0.329 176.599 176.600 -0.550 0.000 1.047 278 K CA 1.566 57.511 56.287 -0.569 0.000 0.935 278 K CB -0.656 31.119 32.500 -1.209 0.000 0.728 278 K HN 0.770 nan 8.250 nan 0.000 0.452 279 Y N -0.400 119.896 120.300 -0.006 0.000 2.781 279 Y HA 0.343 4.894 4.550 0.001 0.000 0.326 279 Y C 0.912 176.850 175.900 0.062 0.000 1.019 279 Y CA -0.340 57.805 58.100 0.075 0.000 1.372 279 Y CB 0.653 39.195 38.460 0.136 0.000 1.260 279 Y HN 0.212 nan 8.280 nan 0.000 0.546 280 G N -0.810 108.039 108.800 0.080 0.000 2.136 280 G HA2 -0.319 3.642 3.960 0.002 0.000 0.242 280 G HA3 -0.319 3.642 3.960 0.002 0.000 0.242 280 G C -0.430 174.398 174.900 -0.119 0.000 0.989 280 G CA -0.389 44.697 45.100 -0.024 0.000 0.682 280 G HN 0.349 nan 8.290 nan 0.000 0.522 281 Y N -1.097 119.209 120.300 0.009 0.000 2.352 281 Y HA 0.719 5.270 4.550 0.001 0.000 0.326 281 Y C 0.466 176.352 175.900 -0.023 0.000 1.166 281 Y CA -1.242 56.819 58.100 -0.063 0.000 1.182 281 Y CB 1.508 39.891 38.460 -0.128 0.000 1.216 281 Y HN 0.197 nan 8.280 nan 0.000 0.474 282 I N 3.325 123.913 120.570 0.030 0.000 2.465 282 I HA 0.392 4.563 4.170 0.002 0.000 0.291 282 I C -1.092 174.976 176.117 -0.083 0.000 1.014 282 I CA -0.543 60.820 61.300 0.105 0.000 1.093 282 I CB 0.809 38.913 38.000 0.172 0.000 1.267 282 I HN 0.596 nan 8.210 nan 0.000 0.431 283 H N 7.210 126.317 119.070 0.063 0.000 2.637 283 H HA 0.527 5.084 4.556 0.002 0.000 0.363 283 H C -1.214 174.012 175.328 -0.170 0.000 1.131 283 H CA -0.919 55.058 56.048 -0.118 0.000 1.183 283 H CB 2.416 32.099 29.762 -0.131 0.000 1.637 283 H HN 0.367 nan 8.280 nan 0.000 0.531 284 L N 3.599 124.675 121.223 -0.246 0.000 2.349 284 L HA 0.346 4.687 4.340 0.002 0.000 0.278 284 L C -1.255 175.361 176.870 -0.423 0.000 0.996 284 L CA -0.638 54.027 54.840 -0.291 0.000 0.825 284 L CB 0.878 42.813 42.059 -0.208 0.000 1.243 284 L HN 0.530 nan 8.230 nan 0.000 0.412 285 Y N 0.498 120.728 120.300 -0.117 0.000 2.562 285 Y HA 0.305 4.856 4.550 0.002 0.000 0.343 285 Y C 0.044 175.879 175.900 -0.109 0.000 1.025 285 Y CA -1.075 56.972 58.100 -0.087 0.000 1.082 285 Y CB 1.485 39.891 38.460 -0.090 0.000 1.264 285 Y HN 0.457 nan 8.280 nan 0.000 0.478 286 D N 1.224 121.677 120.400 0.089 0.000 2.312 286 D HA 0.072 4.713 4.640 0.002 0.000 0.252 286 D C 0.620 176.909 176.300 -0.019 0.000 1.150 286 D CA -0.178 53.834 54.000 0.019 0.000 0.870 286 D CB 1.337 42.154 40.800 0.028 0.000 1.153 286 D HN 0.511 nan 8.370 nan 0.000 0.457 287 L N 4.168 125.333 121.223 -0.097 0.000 2.017 287 L HA -0.067 4.274 4.340 0.002 0.000 0.208 287 L C 1.917 178.644 176.870 -0.239 0.000 1.073 287 L CA 1.945 56.660 54.840 -0.208 0.000 0.745 287 L CB -0.714 41.149 42.059 -0.327 0.000 0.894 287 L HN 0.735 nan 8.230 nan 0.000 0.432 288 E N -1.149 118.894 120.200 -0.262 0.000 2.007 288 E HA -0.250 4.100 4.350 0.002 0.000 0.194 288 E C 1.930 178.587 176.600 0.094 0.000 0.999 288 E CA 2.253 58.604 56.400 -0.081 0.000 0.811 288 E CB -0.171 29.555 29.700 0.043 0.000 0.762 288 E HN 0.677 nan 8.360 nan 0.000 0.450 289 T N -3.801 110.777 114.554 0.041 0.000 3.031 289 T HA 0.223 4.574 4.350 0.002 0.000 0.254 289 T C 1.503 176.215 174.700 0.021 0.000 1.060 289 T CA 0.831 62.949 62.100 0.029 0.000 1.135 289 T CB 0.432 69.316 68.868 0.027 0.000 0.896 289 T HN 0.438 nan 8.240 nan 0.000 0.472 290 G N 1.043 109.859 108.800 0.026 0.000 2.141 290 G HA2 -0.217 3.744 3.960 0.002 0.000 0.242 290 G HA3 -0.217 3.744 3.960 0.002 0.000 0.242 290 G C 0.154 175.120 174.900 0.109 0.000 0.982 290 G CA 0.133 45.245 45.100 0.020 0.000 0.662 290 G HN 0.737 nan 8.290 nan 0.000 0.527 291 T N 0.509 115.119 114.554 0.094 0.000 2.916 291 T HA 0.329 4.680 4.350 0.002 0.000 0.303 291 T C 0.818 175.590 174.700 0.120 0.000 1.025 291 T CA 0.626 62.780 62.100 0.090 0.000 1.142 291 T CB 1.285 70.181 68.868 0.046 0.000 0.947 291 T HN 0.726 nan 8.240 nan 0.000 0.544 292 C N 6.283 125.626 119.300 0.072 0.000 2.373 292 C HA 0.440 4.900 4.460 0.002 0.000 0.354 292 C C 1.875 176.808 174.990 -0.094 0.000 1.249 292 C CA -0.781 58.150 59.018 -0.145 0.000 1.784 292 C CB -2.214 25.439 27.740 -0.145 0.000 2.408 292 C HN 0.976 nan 8.230 nan 0.000 0.542 293 I N 3.965 124.472 120.570 -0.104 0.000 3.081 293 I HA 0.359 4.530 4.170 0.002 0.000 0.274 293 I C -0.104 176.110 176.117 0.162 0.000 1.178 293 I CA 0.406 61.728 61.300 0.036 0.000 1.460 293 I CB 0.041 38.062 38.000 0.036 0.000 1.137 293 I HN 0.664 nan 8.210 nan 0.000 0.443 294 Y N 1.521 121.743 120.300 -0.129 0.000 2.604 294 Y HA 0.616 5.167 4.550 0.001 0.000 0.331 294 Y C -1.609 174.184 175.900 -0.179 0.000 1.158 294 Y CA -1.408 56.623 58.100 -0.115 0.000 1.056 294 Y CB 1.514 39.850 38.460 -0.206 0.000 1.330 294 Y HN 0.101 nan 8.280 nan 0.000 0.457 295 M N 5.812 124.738 119.600 -1.122 0.000 2.296 295 M HA 0.429 4.910 4.480 0.002 0.000 0.268 295 M C -2.445 173.350 176.300 -0.841 0.000 1.048 295 M CA -0.097 54.687 55.300 -0.859 0.000 0.966 295 M CB 1.547 33.849 32.600 -0.497 0.000 1.912 295 M HN 0.967 nan 8.290 nan 0.000 0.484 296 N N 1.950 120.295 118.700 -0.591 0.000 3.348 296 N HA 0.441 5.182 4.740 0.002 0.000 0.233 296 N C -2.123 173.282 175.510 -0.174 0.000 1.440 296 N CA -0.770 52.084 53.050 -0.326 0.000 0.887 296 N CB 1.626 39.899 38.487 -0.356 0.000 1.410 296 N HN 0.743 nan 8.380 nan 0.000 0.502 297 R N 0.978 121.364 120.500 -0.189 0.000 2.390 297 R HA 0.474 4.815 4.340 0.002 0.000 0.291 297 R C 0.655 176.834 176.300 -0.201 0.000 1.070 297 R CA 0.070 55.974 56.100 -0.325 0.000 1.014 297 R CB 0.235 30.248 30.300 -0.478 0.000 1.007 297 R HN 0.649 nan 8.270 nan 0.000 0.466 298 I N -1.008 119.480 120.570 -0.136 0.000 4.240 298 I HA 0.389 4.560 4.170 0.002 0.000 0.331 298 I C -0.174 175.952 176.117 0.014 0.000 1.381 298 I CA -0.318 60.954 61.300 -0.047 0.000 1.136 298 I CB 0.938 39.073 38.000 0.225 0.000 1.137 298 I HN 0.359 nan 8.210 nan 0.000 0.411 299 S N 0.154 115.821 115.700 -0.055 0.000 2.543 299 S HA 0.631 5.102 4.470 0.002 0.000 0.271 299 S C 0.423 174.984 174.600 -0.065 0.000 1.148 299 S CA -0.026 58.167 58.200 -0.012 0.000 0.914 299 S CB 1.663 64.886 63.200 0.040 0.000 1.096 299 S HN 0.321 nan 8.310 nan 0.000 0.471 300 G N 2.001 110.781 108.800 -0.033 0.000 2.662 300 G HA2 0.180 4.141 3.960 0.002 0.000 0.212 300 G HA3 0.180 4.141 3.960 0.002 0.000 0.212 300 G C 0.175 175.097 174.900 0.036 0.000 1.141 300 G CA 0.136 45.224 45.100 -0.021 0.000 0.797 300 G HN 0.578 nan 8.290 nan 0.000 0.531 301 E N 1.535 121.760 120.200 0.043 0.000 2.231 301 E HA 0.277 4.628 4.350 0.002 0.000 0.277 301 E C 0.273 176.902 176.600 0.049 0.000 0.999 301 E CA -0.218 56.221 56.400 0.066 0.000 0.827 301 E CB 1.470 31.215 29.700 0.074 0.000 1.101 301 E HN 0.221 nan 8.360 nan 0.000 0.393 302 T N 0.370 114.937 114.554 0.021 0.000 2.937 302 T HA 0.200 4.551 4.350 0.002 0.000 0.316 302 T C 0.760 175.479 174.700 0.032 0.000 1.079 302 T CA -0.125 61.923 62.100 -0.086 0.000 1.131 302 T CB 0.240 68.955 68.868 -0.256 0.000 1.000 302 T HN 0.292 nan 8.240 nan 0.000 0.549 303 I N 3.297 123.859 120.570 -0.013 0.000 2.460 303 I HA 0.399 4.570 4.170 0.002 0.000 0.298 303 I C 0.336 176.504 176.117 0.085 0.000 0.989 303 I CA -0.964 60.340 61.300 0.006 0.000 1.173 303 I CB 1.557 39.531 38.000 -0.043 0.000 1.338 303 I HN 0.928 nan 8.210 nan 0.000 0.456 304 F N 4.949 124.931 119.950 0.053 0.000 2.838 304 F HA 0.625 5.153 4.527 0.001 0.000 0.329 304 F C -0.572 175.369 175.800 0.235 0.000 1.116 304 F CA -0.594 57.481 58.000 0.124 0.000 1.155 304 F CB 0.338 39.441 39.000 0.170 0.000 1.106 304 F HN 0.144 nan 8.300 nan 0.000 0.538 305 V N 1.346 121.121 119.914 -0.233 0.000 2.966 305 V HA 0.674 4.795 4.120 0.002 0.000 0.288 305 V C -1.083 174.939 176.094 -0.120 0.000 1.380 305 V CA 0.475 62.728 62.300 -0.079 0.000 0.966 305 V CB 1.742 33.510 31.823 -0.091 0.000 1.115 305 V HN 0.559 nan 8.190 nan 0.000 0.436 306 T N 2.972 117.525 114.554 -0.001 0.000 2.778 306 T HA 1.038 5.389 4.350 0.002 0.000 0.293 306 T C -0.352 174.363 174.700 0.025 0.000 1.144 306 T CA -0.377 61.712 62.100 -0.018 0.000 1.010 306 T CB 1.788 70.654 68.868 -0.004 0.000 1.325 306 T HN 2.418 nan 8.240 nan 0.000 0.515 307 A N 0.698 123.522 122.820 0.007 0.000 2.586 307 A HA 0.826 5.147 4.320 0.002 0.000 0.291 307 A C -3.250 174.342 177.584 0.013 0.000 1.062 307 A CA -1.488 50.567 52.037 0.030 0.000 0.666 307 A CB 0.741 19.755 19.000 0.023 0.000 1.281 307 A HN 0.732 nan 8.150 nan 0.000 0.421 308 P HA 0.171 nan 4.420 nan 0.000 0.271 308 P C -0.905 176.401 177.300 0.011 0.000 1.216 308 P CA 0.487 63.598 63.100 0.018 0.000 0.771 308 P CB 0.366 32.087 31.700 0.035 0.000 0.864 309 H N 2.869 121.867 119.070 -0.120 0.000 2.818 309 H HA 0.098 4.655 4.556 0.002 0.000 0.269 309 H C 1.299 176.572 175.328 -0.090 0.000 1.277 309 H CA 0.012 55.977 56.048 -0.138 0.000 1.290 309 H CB 0.038 29.689 29.762 -0.185 0.000 1.479 309 H HN 0.364 nan 8.280 nan 0.000 0.507 310 E N 3.371 123.417 120.200 -0.256 0.000 2.049 310 E HA -0.294 4.057 4.350 0.002 0.000 0.198 310 E C 2.063 178.515 176.600 -0.245 0.000 1.007 310 E CA 1.397 57.676 56.400 -0.202 0.000 0.809 310 E CB -0.198 29.408 29.700 -0.157 0.000 0.749 310 E HN 0.737 nan 8.360 nan 0.000 0.450 311 A N 1.553 124.128 122.820 -0.407 0.000 1.884 311 A HA -0.237 4.084 4.320 0.002 0.000 0.219 311 A C 2.495 179.986 177.584 -0.156 0.000 1.197 311 A CA 2.933 54.798 52.037 -0.287 0.000 0.637 311 A CB -1.101 17.701 19.000 -0.330 0.000 0.827 311 A HN 0.450 nan 8.150 nan 0.000 0.450 312 T N -5.188 109.280 114.554 -0.142 0.000 3.086 312 T HA 0.481 4.832 4.350 0.002 0.000 0.250 312 T C 0.906 175.676 174.700 0.117 0.000 1.074 312 T CA 1.055 63.198 62.100 0.071 0.000 0.988 312 T CB 0.114 69.110 68.868 0.213 0.000 0.988 312 T HN 1.971 nan 8.240 nan 0.000 0.530 313 A N -0.428 122.416 122.820 0.039 0.000 2.952 313 A HA 0.041 4.362 4.320 0.002 0.000 0.252 313 A C 1.020 178.676 177.584 0.120 0.000 1.323 313 A CA 1.051 53.138 52.037 0.083 0.000 0.957 313 A CB -2.167 16.902 19.000 0.115 0.000 1.130 313 A HN 1.181 nan 8.150 nan 0.000 0.799 314 G N -1.421 107.396 108.800 0.028 0.000 2.890 314 G HA2 0.686 4.647 3.960 0.002 0.000 0.189 314 G HA3 0.686 4.647 3.960 0.002 0.000 0.189 314 G C -0.029 174.658 174.900 -0.356 0.000 1.342 314 G CA -0.105 44.814 45.100 -0.301 0.000 1.026 314 G HN 1.316 nan 8.290 nan 0.000 0.579 315 I N -0.745 119.473 120.570 -0.588 0.000 2.646 315 I HA 0.755 4.926 4.170 0.002 0.000 0.299 315 I C -1.523 174.428 176.117 -0.277 0.000 1.036 315 I CA -1.339 59.760 61.300 -0.335 0.000 1.074 315 I CB 2.111 39.914 38.000 -0.329 0.000 1.258 315 I HN 0.396 nan 8.210 nan 0.000 0.430 316 I N 6.794 127.251 120.570 -0.188 0.000 2.497 316 I HA 0.669 4.840 4.170 0.002 0.000 0.284 316 I C -0.642 175.370 176.117 -0.176 0.000 1.060 316 I CA -0.066 61.084 61.300 -0.250 0.000 1.071 316 I CB 1.230 39.036 38.000 -0.323 0.000 1.216 316 I HN 0.712 nan 8.210 nan 0.000 0.442 317 G N 5.713 114.408 108.800 -0.175 0.000 2.816 317 G HA2 0.726 4.687 3.960 0.002 0.000 0.288 317 G HA3 0.726 4.687 3.960 0.002 0.000 0.288 317 G C -1.649 173.137 174.900 -0.191 0.000 1.334 317 G CA -0.603 44.395 45.100 -0.170 0.000 0.978 317 G HN 0.369 nan 8.290 nan 0.000 0.493 318 V N 0.942 120.684 119.914 -0.287 0.000 2.680 318 V HA 0.491 4.612 4.120 0.002 0.000 0.309 318 V C -0.473 175.416 176.094 -0.342 0.000 1.052 318 V CA -0.907 61.225 62.300 -0.279 0.000 0.908 318 V CB 1.752 33.396 31.823 -0.298 0.000 1.001 318 V HN 1.009 nan 8.190 nan 0.000 0.431 319 N N 2.835 121.498 118.700 -0.061 0.000 2.525 319 N HA 0.436 5.176 4.740 0.002 0.000 0.288 319 N C 0.576 176.289 175.510 0.339 0.000 1.242 319 N CA -1.014 52.099 53.050 0.105 0.000 0.905 319 N CB 0.879 39.413 38.487 0.078 0.000 1.258 319 N HN 0.333 nan 8.380 nan 0.000 0.551 320 R N -0.372 120.333 120.500 0.340 0.000 2.200 320 R HA -0.054 4.287 4.340 0.002 0.000 0.234 320 R C 0.980 177.378 176.300 0.162 0.000 1.127 320 R CA 1.151 57.399 56.100 0.246 0.000 0.989 320 R CB -0.170 30.208 30.300 0.131 0.000 0.869 320 R HN 0.595 nan 8.270 nan 0.000 0.459 321 K N -0.892 119.588 120.400 0.134 0.000 2.296 321 K HA -0.029 4.292 4.320 0.002 0.000 0.200 321 K C 1.031 177.690 176.600 0.098 0.000 1.048 321 K CA 0.908 57.252 56.287 0.096 0.000 0.966 321 K CB 0.374 32.919 32.500 0.075 0.000 0.754 321 K HN 0.416 nan 8.250 nan 0.000 0.466 322 G N 1.884 110.759 108.800 0.125 0.000 2.148 322 G HA2 -0.260 3.701 3.960 0.002 0.000 0.203 322 G HA3 -0.260 3.701 3.960 0.002 0.000 0.203 322 G C -0.172 174.772 174.900 0.072 0.000 0.993 322 G CA -0.003 45.163 45.100 0.109 0.000 0.661 322 G HN 0.394 nan 8.290 nan 0.000 0.518 323 Q N 0.576 120.415 119.800 0.064 0.000 2.261 323 Q HA 0.547 4.888 4.340 0.002 0.000 0.252 323 Q C -0.224 175.785 176.000 0.015 0.000 0.915 323 Q CA -0.532 55.297 55.803 0.044 0.000 0.915 323 Q CB 1.331 30.104 28.738 0.058 0.000 1.204 323 Q HN 0.237 nan 8.270 nan 0.000 0.421 324 V N 6.503 126.421 119.914 0.006 0.000 2.334 324 V HA 0.280 4.401 4.120 0.002 0.000 0.267 324 V C 0.136 176.215 176.094 -0.025 0.000 1.040 324 V CA -0.375 61.911 62.300 -0.024 0.000 0.866 324 V CB 0.488 32.303 31.823 -0.014 0.000 1.019 324 V HN 0.735 nan 8.190 nan 0.000 0.468 325 L N 4.153 125.317 121.223 -0.099 0.000 2.387 325 L HA 0.837 5.178 4.340 0.002 0.000 0.266 325 L C 0.223 176.931 176.870 -0.269 0.000 1.059 325 L CA -0.227 54.478 54.840 -0.225 0.000 0.801 325 L CB 2.070 44.019 42.059 -0.183 0.000 1.223 325 L HN 0.769 nan 8.230 nan 0.000 0.456 326 S N 0.643 116.084 115.700 -0.432 0.000 2.563 326 S HA 0.667 5.137 4.470 0.002 0.000 0.279 326 S C -1.337 173.009 174.600 -0.422 0.000 1.155 326 S CA -0.709 57.240 58.200 -0.420 0.000 0.928 326 S CB 1.591 64.532 63.200 -0.431 0.000 1.107 326 S HN 0.230 nan 8.310 nan 0.000 0.462 327 V N 2.646 122.369 119.914 -0.317 0.000 2.735 327 V HA 0.867 4.988 4.120 0.002 0.000 0.310 327 V C 0.297 176.245 176.094 -0.243 0.000 1.061 327 V CA -0.367 61.831 62.300 -0.171 0.000 0.913 327 V CB 1.211 33.044 31.823 0.017 0.000 1.005 327 V HN 1.564 nan 8.190 nan 0.000 0.428 328 C N 1.908 121.179 119.300 -0.048 0.000 3.332 328 C HA 0.829 5.290 4.460 0.002 0.000 0.329 328 C C -0.348 174.735 174.990 0.156 0.000 1.434 328 C CA -0.894 58.152 59.018 0.047 0.000 1.314 328 C CB 1.107 28.868 27.740 0.036 0.000 1.664 328 C HN 0.584 nan 8.230 nan 0.000 0.457 329 V N 1.899 121.891 119.914 0.130 0.000 2.637 329 V HA 0.252 4.373 4.120 0.002 0.000 0.296 329 V C 0.557 176.571 176.094 -0.132 0.000 1.046 329 V CA 0.828 63.061 62.300 -0.111 0.000 1.066 329 V CB 0.974 32.504 31.823 -0.488 0.000 0.968 329 V HN 0.927 nan 8.190 nan 0.000 0.483 330 E N 3.623 123.741 120.200 -0.138 0.000 1.856 330 E HA 0.105 4.456 4.350 0.002 0.000 0.263 330 E C 1.104 177.646 176.600 -0.096 0.000 1.137 330 E CA 0.184 56.521 56.400 -0.104 0.000 1.007 330 E CB -0.009 29.618 29.700 -0.121 0.000 1.117 330 E HN 0.656 nan 8.360 nan 0.000 0.438 331 E N 2.132 122.283 120.200 -0.082 0.000 2.187 331 E HA -0.244 4.107 4.350 0.002 0.000 0.199 331 E C 0.893 177.486 176.600 -0.011 0.000 1.004 331 E CA 1.310 57.685 56.400 -0.042 0.000 0.813 331 E CB 0.301 30.021 29.700 0.034 0.000 0.736 331 E HN 0.503 nan 8.360 nan 0.000 0.468 332 E N 0.310 120.504 120.200 -0.011 0.000 2.208 332 E HA -0.118 4.233 4.350 0.002 0.000 0.193 332 E C 0.738 177.337 176.600 -0.002 0.000 0.988 332 E CA 0.895 57.294 56.400 -0.000 0.000 0.828 332 E CB -0.226 29.473 29.700 -0.001 0.000 0.763 332 E HN 0.440 nan 8.360 nan 0.000 0.478 333 N N -0.372 118.319 118.700 -0.016 0.000 2.536 333 N HA 0.092 4.833 4.740 0.002 0.000 0.286 333 N C 0.550 176.059 175.510 -0.001 0.000 1.577 333 N CA -0.109 52.940 53.050 -0.002 0.000 0.883 333 N CB 0.105 38.591 38.487 -0.002 0.000 1.390 333 N HN -0.055 nan 8.380 nan 0.000 0.491 334 I N -0.297 120.265 120.570 -0.015 0.000 3.035 334 I HA 0.201 4.372 4.170 0.002 0.000 0.271 334 I C 1.073 177.227 176.117 0.063 0.000 1.190 334 I CA 0.675 61.968 61.300 -0.012 0.000 1.472 334 I CB 0.070 38.027 38.000 -0.071 0.000 1.116 334 I HN 0.114 nan 8.210 nan 0.000 0.443 335 I N 1.954 122.553 120.570 0.048 0.000 2.162 335 I HA -0.042 4.129 4.170 0.002 0.000 0.238 335 I C -0.091 176.059 176.117 0.056 0.000 1.076 335 I CA 1.323 62.653 61.300 0.051 0.000 1.353 335 I CB -3.086 34.936 38.000 0.037 0.000 1.063 335 I HN 0.134 nan 8.210 nan 0.000 0.408 336 P HA -0.220 nan 4.420 nan 0.000 0.216 336 P C 1.892 179.213 177.300 0.036 0.000 1.153 336 P CA 1.458 64.580 63.100 0.038 0.000 0.858 336 P CB -0.220 31.503 31.700 0.038 0.000 0.789 337 Y N 0.276 120.561 120.300 -0.025 0.000 2.030 337 Y HA -0.242 4.309 4.550 0.001 0.000 0.274 337 Y C 2.194 178.085 175.900 -0.016 0.000 1.153 337 Y CA 1.590 59.674 58.100 -0.026 0.000 1.115 337 Y CB -1.081 37.352 38.460 -0.045 0.000 0.969 337 Y HN -0.200 nan 8.280 nan 0.000 0.488 338 I N -0.650 119.981 120.570 0.101 0.000 2.151 338 I HA -0.410 3.760 4.170 0.002 0.000 0.243 338 I C 2.229 178.301 176.117 -0.075 0.000 1.080 338 I CA 2.062 63.368 61.300 0.011 0.000 1.339 338 I CB -0.694 37.352 38.000 0.075 0.000 1.039 338 I HN 0.327 nan 8.210 nan 0.000 0.409 339 T N 0.928 115.457 114.554 -0.043 0.000 2.643 339 T HA -0.137 4.214 4.350 0.002 0.000 0.264 339 T C 1.641 176.292 174.700 -0.082 0.000 1.045 339 T CA 1.712 63.784 62.100 -0.047 0.000 1.155 339 T CB -0.279 68.577 68.868 -0.021 0.000 0.863 339 T HN 0.346 nan 8.240 nan 0.000 0.420 340 N N 0.710 119.349 118.700 -0.103 0.000 2.278 340 N HA 0.026 4.767 4.740 0.002 0.000 0.181 340 N C 2.064 177.466 175.510 -0.181 0.000 1.023 340 N CA 0.703 53.685 53.050 -0.113 0.000 0.862 340 N CB -0.586 37.854 38.487 -0.078 0.000 1.003 340 N HN 0.219 nan 8.380 nan 0.000 0.431 341 V N 1.548 121.265 119.914 -0.327 0.000 2.488 341 V HA 0.018 4.139 4.120 0.002 0.000 0.246 341 V C 2.196 178.061 176.094 -0.382 0.000 1.046 341 V CA 0.983 63.021 62.300 -0.437 0.000 1.053 341 V CB -0.293 31.000 31.823 -0.883 0.000 0.679 341 V HN 0.174 nan 8.190 nan 0.000 0.458 342 L N -0.776 120.215 121.223 -0.387 0.000 2.567 342 L HA 0.137 4.478 4.340 0.002 0.000 0.225 342 L C 0.887 177.681 176.870 -0.126 0.000 1.119 342 L CA 0.309 55.022 54.840 -0.211 0.000 0.871 342 L CB -0.199 41.776 42.059 -0.140 0.000 1.036 342 L HN 0.416 nan 8.230 nan 0.000 0.459 343 Q N 1.114 120.839 119.800 -0.125 0.000 2.439 343 Q HA -0.250 4.091 4.340 0.002 0.000 0.325 343 Q C -0.068 175.899 176.000 -0.055 0.000 1.372 343 Q CA 0.378 56.133 55.803 -0.080 0.000 0.909 343 Q CB -1.462 27.233 28.738 -0.071 0.000 1.167 343 Q HN 0.328 nan 8.270 nan 0.000 0.418 344 N N -0.294 118.376 118.700 -0.049 0.000 2.841 344 N HA 0.222 4.963 4.740 0.002 0.000 0.257 344 N C -2.328 173.173 175.510 -0.015 0.000 1.396 344 N CA -2.065 50.969 53.050 -0.026 0.000 0.823 344 N CB 1.171 39.647 38.487 -0.018 0.000 1.162 344 N HN -0.100 nan 8.380 nan 0.000 0.503 345 P HA -0.112 nan 4.420 nan 0.000 0.214 345 P C 0.856 178.159 177.300 0.004 0.000 1.163 345 P CA 1.124 64.220 63.100 -0.006 0.000 0.889 345 P CB 0.491 32.186 31.700 -0.008 0.000 0.790 346 D N -0.601 119.802 120.400 0.005 0.000 2.108 346 D HA -0.182 4.458 4.640 0.002 0.000 0.190 346 D C 1.929 178.241 176.300 0.021 0.000 0.995 346 D CA 1.228 55.236 54.000 0.012 0.000 0.834 346 D CB -0.933 39.873 40.800 0.010 0.000 0.967 346 D HN 0.023 nan 8.370 nan 0.000 0.446 347 L N 0.996 122.232 121.223 0.020 0.000 2.079 347 L HA -0.137 4.204 4.340 0.002 0.000 0.210 347 L C 2.150 179.041 176.870 0.035 0.000 1.081 347 L CA 1.876 56.734 54.840 0.030 0.000 0.752 347 L CB -0.756 41.319 42.059 0.028 0.000 0.896 347 L HN -0.018 nan 8.230 nan 0.000 0.433 348 A N -0.513 122.324 122.820 0.027 0.000 1.873 348 A HA -0.159 4.162 4.320 0.002 0.000 0.215 348 A C 2.253 179.857 177.584 0.034 0.000 1.186 348 A CA 1.724 53.780 52.037 0.031 0.000 0.616 348 A CB -1.030 17.981 19.000 0.019 0.000 0.823 348 A HN 0.479 nan 8.150 nan 0.000 0.442 349 L N -0.402 120.838 121.223 0.028 0.000 2.083 349 L HA -0.169 4.172 4.340 0.002 0.000 0.209 349 L C 2.493 179.387 176.870 0.039 0.000 1.083 349 L CA 2.666 57.524 54.840 0.029 0.000 0.752 349 L CB -0.865 41.208 42.059 0.023 0.000 0.899 349 L HN 0.493 nan 8.230 nan 0.000 0.433 350 R N 0.209 120.736 120.500 0.045 0.000 2.066 350 R HA -0.128 4.213 4.340 0.002 0.000 0.232 350 R C 2.272 178.615 176.300 0.073 0.000 1.131 350 R CA 1.948 58.083 56.100 0.059 0.000 0.955 350 R CB -0.498 29.840 30.300 0.064 0.000 0.851 350 R HN 0.377 nan 8.270 nan 0.000 0.432 351 M N -0.152 119.491 119.600 0.071 0.000 2.175 351 M HA -0.028 4.453 4.480 0.002 0.000 0.264 351 M C 2.282 178.630 176.300 0.081 0.000 1.063 351 M CA 1.617 56.967 55.300 0.084 0.000 1.119 351 M CB -0.482 32.163 32.600 0.075 0.000 1.377 351 M HN 0.327 nan 8.290 nan 0.000 0.415 352 A N 0.560 123.418 122.820 0.063 0.000 1.849 352 A HA -0.156 4.165 4.320 0.002 0.000 0.217 352 A C 2.277 179.897 177.584 0.059 0.000 1.202 352 A CA 2.188 54.259 52.037 0.058 0.000 0.629 352 A CB -1.203 17.823 19.000 0.044 0.000 0.834 352 A HN 0.277 nan 8.150 nan 0.000 0.447 353 V N 0.164 120.110 119.914 0.053 0.000 2.287 353 V HA -0.275 3.846 4.120 0.002 0.000 0.248 353 V C 2.727 178.855 176.094 0.058 0.000 1.053 353 V CA 2.427 64.756 62.300 0.049 0.000 1.027 353 V CB -0.844 31.005 31.823 0.043 0.000 0.646 353 V HN 0.675 nan 8.190 nan 0.000 0.447 354 R N 0.492 121.037 120.500 0.074 0.000 2.091 354 R HA -0.181 4.160 4.340 0.002 0.000 0.238 354 R C 1.527 177.883 176.300 0.093 0.000 1.136 354 R CA 2.350 58.505 56.100 0.091 0.000 0.959 354 R CB -0.151 30.226 30.300 0.129 0.000 0.856 354 R HN 0.631 nan 8.270 nan 0.000 0.437 355 N N -0.187 118.573 118.700 0.101 0.000 2.205 355 N HA 0.108 4.849 4.740 0.002 0.000 0.201 355 N C -1.028 174.531 175.510 0.082 0.000 1.128 355 N CA 0.068 53.176 53.050 0.098 0.000 0.867 355 N CB 0.638 39.211 38.487 0.144 0.000 0.996 355 N HN 0.254 nan 8.380 nan 0.000 0.503 356 N N 0.069 118.812 118.700 0.072 0.000 2.753 356 N HA -0.143 4.598 4.740 0.002 0.000 0.252 356 N C -1.406 174.145 175.510 0.069 0.000 1.071 356 N CA 0.181 53.266 53.050 0.058 0.000 0.690 356 N CB -1.138 37.374 38.487 0.043 0.000 0.906 356 N HN 0.189 nan 8.380 nan 0.000 0.552 357 L N -0.478 120.790 121.223 0.074 0.000 2.260 357 L HA 0.971 5.312 4.340 0.002 0.000 0.265 357 L C 0.214 177.115 176.870 0.052 0.000 1.015 357 L CA -1.100 53.785 54.840 0.074 0.000 0.826 357 L CB 1.397 43.509 42.059 0.089 0.000 1.373 357 L HN 0.179 nan 8.230 nan 0.000 0.450 358 A N -0.247 122.600 122.820 0.044 0.000 2.411 358 A HA 0.856 5.176 4.320 0.002 0.000 0.285 358 A C -0.444 177.157 177.584 0.028 0.000 1.129 358 A CA 0.068 52.125 52.037 0.033 0.000 0.736 358 A CB 0.998 20.015 19.000 0.029 0.000 1.186 358 A HN 0.784 nan 8.150 nan 0.000 0.445 359 G N 0.000 108.816 108.800 0.026 0.000 5.446 359 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 359 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 359 G CA 0.000 45.114 45.100 0.024 0.000 0.502 359 G HN 0.000 nan 8.290 nan 0.000 0.925