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 1c9i_1_A 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 VRNNL 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 0.000 176.026 176.000 0.043 0.000 1.003 3 Q CA 0.000 55.829 55.803 0.044 0.000 1.022 3 Q CB 0.000 28.782 28.738 0.074 0.000 1.108 4 I N -0.354 120.266 120.570 0.084 0.000 2.693 4 I HA 0.598 4.788 4.170 0.033 0.000 0.303 4 I C -0.953 175.151 176.117 -0.021 0.000 1.025 4 I CA -0.876 60.443 61.300 0.033 0.000 1.086 4 I CB 0.646 38.660 38.000 0.023 0.000 1.268 4 I HN 0.297 nan 8.210 nan 0.000 0.440 5 L N 5.363 126.472 121.223 -0.189 0.000 2.343 5 L HA 0.598 4.957 4.340 0.033 0.000 0.275 5 L C -1.671 174.857 176.870 -0.570 0.000 1.056 5 L CA -1.313 53.212 54.840 -0.524 0.000 0.804 5 L CB 1.012 42.789 42.059 -0.469 0.000 1.203 5 L HN 0.552 nan 8.230 nan 0.000 0.440 6 P HA 0.137 nan 4.420 nan 0.000 0.257 6 P C -0.681 176.367 177.300 -0.420 0.000 1.281 6 P CA 0.311 63.048 63.100 -0.605 0.000 0.826 6 P CB 0.047 31.317 31.700 -0.716 0.000 1.237 7 I N -3.929 116.387 120.570 -0.424 0.000 2.692 7 I HA 0.542 4.732 4.170 0.033 0.000 0.293 7 I C -0.730 175.337 176.117 -0.083 0.000 1.200 7 I CA -1.752 59.444 61.300 -0.173 0.000 1.036 7 I CB 2.406 40.354 38.000 -0.087 0.000 1.258 7 I HN -0.317 nan 8.210 nan 0.000 0.421 8 R N 4.969 125.482 120.500 0.022 0.000 2.312 8 R HA 0.601 4.960 4.340 0.033 0.000 0.311 8 R C -1.874 174.505 176.300 0.133 0.000 1.004 8 R CA -0.473 55.662 56.100 0.059 0.000 0.902 8 R CB 1.103 31.425 30.300 0.037 0.000 1.073 8 R HN 0.786 nan 8.270 nan 0.000 0.457 9 F N 3.254 123.206 119.950 0.004 0.000 2.450 9 F HA 0.370 4.917 4.527 0.033 0.000 0.332 9 F C -0.863 174.950 175.800 0.021 0.000 1.093 9 F CA -0.349 57.661 58.000 0.016 0.000 1.003 9 F CB 1.652 40.665 39.000 0.023 0.000 1.151 9 F HN 0.564 nan 8.300 nan 0.000 0.474 10 Q N 4.741 124.017 119.800 -0.874 0.000 2.320 10 Q HA 0.201 4.561 4.340 0.033 0.000 0.272 10 Q C -1.871 173.831 176.000 -0.498 0.000 1.023 10 Q CA -0.811 54.713 55.803 -0.466 0.000 0.855 10 Q CB 2.002 30.656 28.738 -0.140 0.000 1.367 10 Q HN 0.838 nan 8.270 nan 0.000 0.406 11 E N 3.666 123.762 120.200 -0.173 0.000 2.115 11 E HA 0.187 4.557 4.350 0.033 0.000 0.282 11 E C -0.445 176.227 176.600 0.120 0.000 0.987 11 E CA -0.165 56.211 56.400 -0.039 0.000 0.797 11 E CB 0.608 30.339 29.700 0.052 0.000 1.086 11 E HN 0.809 nan 8.360 nan 0.000 0.397 12 H N 3.659 122.633 119.070 -0.160 0.000 2.547 12 H HA 0.287 4.863 4.556 0.033 0.000 0.272 12 H C 0.317 175.606 175.328 -0.066 0.000 0.971 12 H CA -0.074 55.908 56.048 -0.110 0.000 1.245 12 H CB 0.924 30.612 29.762 -0.123 0.000 1.440 12 H HN 0.304 nan 8.280 nan 0.000 0.540 13 L N 0.553 121.818 121.223 0.069 0.000 2.869 13 L HA 0.213 4.572 4.340 0.033 0.000 0.265 13 L C -1.382 175.503 176.870 0.025 0.000 1.011 13 L CA -0.791 54.072 54.840 0.037 0.000 0.913 13 L CB 2.793 44.871 42.059 0.032 0.000 1.490 13 L HN -0.039 nan 8.230 nan 0.000 0.410 14 Q N 2.468 122.285 119.800 0.029 0.000 2.891 14 Q HA 0.339 4.699 4.340 0.033 0.000 0.242 14 Q C 0.511 176.532 176.000 0.035 0.000 0.959 14 Q CA -0.210 55.612 55.803 0.032 0.000 0.707 14 Q CB 1.781 30.539 28.738 0.034 0.000 1.283 14 Q HN 0.638 nan 8.270 nan 0.000 0.480 15 L N 0.294 121.541 121.223 0.040 0.000 2.197 15 L HA -0.287 4.072 4.340 0.033 0.000 0.215 15 L C 2.031 178.928 176.870 0.045 0.000 1.095 15 L CA 1.596 56.464 54.840 0.047 0.000 0.764 15 L CB -0.104 41.993 42.059 0.063 0.000 0.897 15 L HN 0.533 nan 8.230 nan 0.000 0.436 16 Q N -0.364 119.463 119.800 0.044 0.000 2.297 16 Q HA -0.139 4.220 4.340 0.033 0.000 0.204 16 Q C 1.640 177.660 176.000 0.033 0.000 0.962 16 Q CA 0.998 56.825 55.803 0.040 0.000 0.879 16 Q CB -0.067 28.696 28.738 0.041 0.000 0.947 16 Q HN 0.649 nan 8.270 nan 0.000 0.462 17 N N -0.316 118.403 118.700 0.031 0.000 2.463 17 N HA 0.001 4.761 4.740 0.033 0.000 0.181 17 N C 1.157 176.681 175.510 0.024 0.000 1.078 17 N CA 0.139 53.205 53.050 0.026 0.000 0.902 17 N CB 0.263 38.764 38.487 0.024 0.000 0.970 17 N HN 0.164 nan 8.380 nan 0.000 0.451 18 L N -0.528 120.712 121.223 0.027 0.000 2.558 18 L HA 0.144 4.503 4.340 0.033 0.000 0.225 18 L C 1.347 178.232 176.870 0.026 0.000 1.128 18 L CA 0.207 55.062 54.840 0.026 0.000 0.868 18 L CB 0.176 42.253 42.059 0.030 0.000 1.006 18 L HN 0.293 nan 8.230 nan 0.000 0.454 19 G N -0.031 108.785 108.800 0.026 0.000 2.213 19 G HA2 -0.246 3.734 3.960 0.033 0.000 0.226 19 G HA3 -0.246 3.734 3.960 0.033 0.000 0.226 19 G C 0.203 175.120 174.900 0.028 0.000 0.992 19 G CA -0.344 44.770 45.100 0.025 0.000 0.632 19 G HN 0.104 nan 8.290 nan 0.000 0.511 20 I N 1.971 122.561 120.570 0.033 0.000 2.872 20 I HA 0.148 4.338 4.170 0.033 0.000 0.291 20 I C 0.874 177.013 176.117 0.037 0.000 1.216 20 I CA -0.533 60.790 61.300 0.037 0.000 1.424 20 I CB 0.417 38.447 38.000 0.049 0.000 1.351 20 I HN 0.286 nan 8.210 nan 0.000 0.592 21 N N 7.417 126.136 118.700 0.033 0.000 2.514 21 N HA 0.167 4.927 4.740 0.033 0.000 0.277 21 N C -1.990 173.542 175.510 0.037 0.000 1.126 21 N CA -1.602 51.466 53.050 0.031 0.000 0.978 21 N CB 1.590 40.091 38.487 0.024 0.000 1.106 21 N HN 0.203 nan 8.380 nan 0.000 0.461 22 P HA -0.107 nan 4.420 nan 0.000 0.216 22 P C 0.812 178.135 177.300 0.038 0.000 1.150 22 P CA 1.573 64.701 63.100 0.047 0.000 0.843 22 P CB 0.089 31.815 31.700 0.043 0.000 0.787 23 A N -0.227 122.609 122.820 0.027 0.000 2.032 23 A HA -0.223 4.116 4.320 0.033 0.000 0.221 23 A C 1.854 179.441 177.584 0.004 0.000 1.165 23 A CA 1.817 53.863 52.037 0.015 0.000 0.645 23 A CB -1.152 17.856 19.000 0.014 0.000 0.807 23 A HN 0.208 nan 8.150 nan 0.000 0.453 24 N N -0.520 118.188 118.700 0.012 0.000 2.280 24 N HA 0.154 4.914 4.740 0.033 0.000 0.192 24 N C -0.079 175.434 175.510 0.006 0.000 1.109 24 N CA 0.176 53.229 53.050 0.004 0.000 0.855 24 N CB 0.242 38.740 38.487 0.017 0.000 0.974 24 N HN 0.483 nan 8.380 nan 0.000 0.482 25 I N 1.460 122.049 120.570 0.032 0.000 2.278 25 I HA 0.345 4.535 4.170 0.033 0.000 0.296 25 I C 0.725 176.788 176.117 -0.090 0.000 1.121 25 I CA -0.293 61.066 61.300 0.098 0.000 1.267 25 I CB 0.389 38.497 38.000 0.180 0.000 1.447 25 I HN -0.067 nan 8.210 nan 0.000 0.509 26 G N 3.607 112.110 108.800 -0.495 0.000 2.451 26 G HA2 0.171 4.151 3.960 0.033 0.000 0.292 26 G HA3 0.171 4.151 3.960 0.033 0.000 0.292 26 G C -0.332 173.818 174.900 -1.250 0.000 1.427 26 G CA -0.655 43.778 45.100 -1.112 0.000 0.792 26 G HN 0.290 nan 8.290 nan 0.000 0.498 27 F N 1.401 120.720 119.950 -1.051 0.000 2.120 27 F HA -0.081 4.464 4.527 0.030 0.000 0.300 27 F C 2.639 178.393 175.800 -0.076 0.000 1.095 27 F CA 2.796 60.599 58.000 -0.328 0.000 1.249 27 F CB 0.043 39.012 39.000 -0.051 0.000 0.995 27 F HN 0.465 nan 8.300 nan 0.000 0.480 28 S N -2.050 113.556 115.700 -0.157 0.000 2.605 28 S HA 0.084 4.574 4.470 0.033 0.000 0.217 28 S C 1.043 175.572 174.600 -0.118 0.000 0.958 28 S CA 0.540 58.626 58.200 -0.191 0.000 0.919 28 S CB -0.749 62.424 63.200 -0.046 0.000 0.780 28 S HN 0.506 nan 8.310 nan 0.000 0.507 29 T N -1.353 113.136 114.554 -0.108 0.000 3.046 29 T HA 0.391 4.761 4.350 0.033 0.000 0.270 29 T C -0.118 174.580 174.700 -0.004 0.000 0.920 29 T CA -0.400 61.672 62.100 -0.046 0.000 0.874 29 T CB -0.160 68.685 68.868 -0.038 0.000 1.214 29 T HN 0.345 nan 8.240 nan 0.000 0.536 30 L N 3.217 124.451 121.223 0.017 0.000 2.343 30 L HA 0.730 5.089 4.340 0.033 0.000 0.278 30 L C -0.710 176.276 176.870 0.194 0.000 0.996 30 L CA -0.322 54.599 54.840 0.135 0.000 0.831 30 L CB 1.806 44.020 42.059 0.258 0.000 1.232 30 L HN 0.333 nan 8.230 nan 0.000 0.413 31 T N 1.967 116.603 114.554 0.137 0.000 2.940 31 T HA 0.602 4.971 4.350 0.033 0.000 0.288 31 T C -0.306 174.474 174.700 0.134 0.000 1.033 31 T CA -0.779 61.401 62.100 0.133 0.000 1.033 31 T CB 1.885 70.790 68.868 0.061 0.000 1.079 31 T HN 0.708 nan 8.240 nan 0.000 0.496 32 M N 2.066 121.744 119.600 0.130 0.000 2.769 32 M HA 0.251 4.751 4.480 0.033 0.000 0.309 32 M C 0.144 176.505 176.300 0.101 0.000 1.427 32 M CA -0.493 54.870 55.300 0.105 0.000 0.657 32 M CB 0.903 33.548 32.600 0.074 0.000 1.947 32 M HN 0.628 nan 8.290 nan 0.000 0.396 33 E N 0.734 120.992 120.200 0.096 0.000 2.333 33 E HA -0.006 4.363 4.350 0.033 0.000 0.198 33 E C 0.464 177.110 176.600 0.076 0.000 1.007 33 E CA 0.861 57.320 56.400 0.098 0.000 0.845 33 E CB 0.152 29.907 29.700 0.092 0.000 0.766 33 E HN 0.742 nan 8.360 nan 0.000 0.507 34 S N -0.327 115.413 115.700 0.066 0.000 2.661 34 S HA 0.175 4.665 4.470 0.033 0.000 0.268 34 S C -0.308 174.314 174.600 0.038 0.000 1.162 34 S CA -0.373 57.853 58.200 0.043 0.000 0.817 34 S CB 1.061 64.272 63.200 0.018 0.000 1.141 34 S HN -0.107 nan 8.310 nan 0.000 0.477 35 D N 0.024 120.430 120.400 0.011 0.000 2.349 35 D HA 0.103 4.763 4.640 0.033 0.000 0.224 35 D C 0.990 177.261 176.300 -0.047 0.000 1.029 35 D CA 0.294 54.303 54.000 0.014 0.000 0.879 35 D CB -0.205 40.628 40.800 0.056 0.000 0.906 35 D HN 0.579 nan 8.370 nan 0.000 0.528 36 K N -0.948 119.400 120.400 -0.086 0.000 2.243 36 K HA 0.132 4.472 4.320 0.033 0.000 0.201 36 K C -0.159 176.110 176.600 -0.552 0.000 1.051 36 K CA 0.581 56.685 56.287 -0.305 0.000 0.970 36 K CB 0.248 32.581 32.500 -0.278 0.000 0.755 36 K HN 0.134 nan 8.250 nan 0.000 0.465 37 F N -0.533 119.396 119.950 -0.035 0.000 2.685 37 F HA 0.488 5.035 4.527 0.034 0.000 0.315 37 F C -0.702 175.092 175.800 -0.010 0.000 1.126 37 F CA -1.141 56.843 58.000 -0.027 0.000 0.950 37 F CB 1.601 40.573 39.000 -0.047 0.000 1.360 37 F HN -0.330 nan 8.300 nan 0.000 0.469 38 I N 1.459 122.167 120.570 0.230 0.000 2.610 38 I HA 0.327 4.517 4.170 0.033 0.000 0.289 38 I C -1.553 174.639 176.117 0.124 0.000 1.163 38 I CA -0.341 61.043 61.300 0.140 0.000 1.044 38 I CB 1.943 40.003 38.000 0.101 0.000 1.251 38 I HN 0.468 nan 8.210 nan 0.000 0.424 39 C N 6.906 126.262 119.300 0.093 0.000 2.355 39 C HA 0.699 5.178 4.460 0.033 0.000 0.332 39 C C -0.001 175.028 174.990 0.065 0.000 1.255 39 C CA -0.465 58.589 59.018 0.060 0.000 1.792 39 C CB 0.602 28.359 27.740 0.028 0.000 2.300 39 C HN 0.484 nan 8.230 nan 0.000 0.515 40 I N 2.795 123.396 120.570 0.052 0.000 2.533 40 I HA 0.461 4.651 4.170 0.033 0.000 0.290 40 I C -0.175 175.959 176.117 0.029 0.000 1.056 40 I CA -0.555 60.775 61.300 0.050 0.000 1.057 40 I CB 1.346 39.381 38.000 0.058 0.000 1.240 40 I HN 0.497 nan 8.210 nan 0.000 0.423 41 R N 5.320 125.833 120.500 0.021 0.000 2.207 41 R HA 0.486 4.846 4.340 0.033 0.000 0.334 41 R C -0.670 175.635 176.300 0.009 0.000 1.013 41 R CA -0.452 55.654 56.100 0.011 0.000 0.858 41 R CB 1.418 31.723 30.300 0.009 0.000 1.094 41 R HN 0.602 nan 8.270 nan 0.000 0.457 42 E N 2.184 122.389 120.200 0.008 0.000 2.339 42 E HA 0.391 4.761 4.350 0.033 0.000 0.262 42 E C -0.865 175.738 176.600 0.004 0.000 0.934 42 E CA -1.093 55.312 56.400 0.008 0.000 0.802 42 E CB 2.341 32.048 29.700 0.012 0.000 1.275 42 E HN 0.216 nan 8.360 nan 0.000 0.427 43 K N 1.091 121.494 120.400 0.005 0.000 2.656 43 K HA 0.302 4.641 4.320 0.033 0.000 0.241 43 K C -1.407 175.195 176.600 0.004 0.000 0.967 43 K CA -0.340 55.948 56.287 0.003 0.000 0.946 43 K CB 1.717 34.218 32.500 0.002 0.000 1.164 43 K HN 0.142 nan 8.250 nan 0.000 0.459 44 V N 2.191 122.107 119.914 0.003 0.000 2.318 44 V HA 0.616 4.756 4.120 0.033 0.000 0.271 44 V C 0.885 176.981 176.094 0.003 0.000 1.030 44 V CA -0.295 62.007 62.300 0.004 0.000 0.844 44 V CB 0.021 31.847 31.823 0.004 0.000 1.015 44 V HN 1.010 nan 8.190 nan 0.000 0.460 45 G N 4.472 113.274 108.800 0.003 0.000 2.642 45 G HA2 -0.220 3.760 3.960 0.033 0.000 0.231 45 G HA3 -0.220 3.760 3.960 0.033 0.000 0.231 45 G C 0.132 175.033 174.900 0.002 0.000 1.338 45 G CA 0.216 45.318 45.100 0.003 0.000 0.883 45 G HN 0.689 nan 8.290 nan 0.000 0.570 46 E N 0.300 120.500 120.200 0.001 0.000 2.311 46 E HA 0.159 4.529 4.350 0.033 0.000 0.198 46 E C 0.267 176.867 176.600 -0.001 0.000 1.115 46 E CA -0.100 56.300 56.400 0.000 0.000 1.140 46 E CB 0.133 29.833 29.700 -0.000 0.000 1.204 46 E HN 0.248 nan 8.360 nan 0.000 0.446 47 Q N 0.863 120.662 119.800 -0.001 0.000 2.563 47 Q HA 0.324 4.684 4.340 0.033 0.000 0.232 47 Q C -0.767 175.231 176.000 -0.004 0.000 1.106 47 Q CA -0.422 55.379 55.803 -0.003 0.000 0.913 47 Q CB 0.868 29.604 28.738 -0.003 0.000 1.175 47 Q HN 0.275 nan 8.270 nan 0.000 0.540 48 A N 3.424 126.241 122.820 -0.005 0.000 2.425 48 A HA 0.456 4.796 4.320 0.033 0.000 0.242 48 A C 0.033 177.610 177.584 -0.010 0.000 1.077 48 A CA 0.102 52.136 52.037 -0.005 0.000 0.781 48 A CB 0.360 19.357 19.000 -0.005 0.000 1.020 48 A HN 0.731 nan 8.150 nan 0.000 0.494 49 Q N -0.734 119.060 119.800 -0.010 0.000 2.578 49 Q HA 0.580 4.939 4.340 0.033 0.000 0.284 49 Q C -1.317 174.674 176.000 -0.015 0.000 0.960 49 Q CA -1.055 54.737 55.803 -0.018 0.000 0.809 49 Q CB 1.157 29.886 28.738 -0.015 0.000 1.462 49 Q HN 0.883 nan 8.270 nan 0.000 0.392 50 V N -0.787 119.112 119.914 -0.026 0.000 2.617 50 V HA 0.778 4.917 4.120 0.033 0.000 0.298 50 V C -0.238 175.849 176.094 -0.011 0.000 1.048 50 V CA -0.802 61.487 62.300 -0.018 0.000 0.964 50 V CB 1.525 33.329 31.823 -0.033 0.000 1.004 50 V HN 0.602 nan 8.190 nan 0.000 0.466 51 V N 5.156 125.073 119.914 0.006 0.000 2.350 51 V HA 0.469 4.609 4.120 0.033 0.000 0.285 51 V C -0.083 176.029 176.094 0.030 0.000 1.014 51 V CA -0.220 62.090 62.300 0.017 0.000 0.831 51 V CB 1.212 33.051 31.823 0.026 0.000 1.000 51 V HN 0.769 nan 8.190 nan 0.000 0.433 52 I N 5.822 126.411 120.570 0.032 0.000 2.385 52 I HA 0.473 4.662 4.170 0.033 0.000 0.294 52 I C -0.333 175.849 176.117 0.108 0.000 0.988 52 I CA -0.325 61.014 61.300 0.064 0.000 1.265 52 I CB 1.471 39.492 38.000 0.034 0.000 1.388 52 I HN 0.391 nan 8.210 nan 0.000 0.480 53 I N 4.714 125.379 120.570 0.158 0.000 2.439 53 I HA 0.187 4.377 4.170 0.033 0.000 0.283 53 I C -0.622 175.583 176.117 0.147 0.000 1.023 53 I CA -0.606 60.768 61.300 0.123 0.000 1.100 53 I CB 1.565 39.613 38.000 0.081 0.000 1.238 53 I HN 0.499 nan 8.210 nan 0.000 0.445 54 D N 6.482 126.934 120.400 0.087 0.000 2.343 54 D HA 0.106 4.765 4.640 0.033 0.000 0.255 54 D C 0.922 177.119 176.300 -0.172 0.000 1.187 54 D CA -0.213 53.707 54.000 -0.134 0.000 0.875 54 D CB 1.240 41.989 40.800 -0.086 0.000 1.136 54 D HN 0.319 nan 8.370 nan 0.000 0.469 55 M N 3.103 122.536 119.600 -0.278 0.000 2.549 55 M HA -0.088 4.411 4.480 0.033 0.000 0.260 55 M C 0.896 177.123 176.300 -0.122 0.000 1.076 55 M CA 0.694 55.908 55.300 -0.144 0.000 1.090 55 M CB -0.785 31.740 32.600 -0.125 0.000 1.418 55 M HN 0.313 nan 8.290 nan 0.000 0.486 56 N N -0.105 118.494 118.700 -0.169 0.000 2.398 56 N HA -0.022 4.738 4.740 0.033 0.000 0.188 56 N C -0.259 175.205 175.510 -0.077 0.000 1.122 56 N CA 0.459 53.438 53.050 -0.117 0.000 0.866 56 N CB 0.250 38.657 38.487 -0.133 0.000 0.970 56 N HN 0.192 nan 8.380 nan 0.000 0.462 57 D N -1.411 118.951 120.400 -0.064 0.000 2.968 57 D HA 0.236 4.896 4.640 0.033 0.000 0.301 57 D C -2.078 174.212 176.300 -0.017 0.000 1.226 57 D CA -1.409 52.571 54.000 -0.033 0.000 0.746 57 D CB 0.798 41.584 40.800 -0.024 0.000 1.278 57 D HN -0.152 nan 8.370 nan 0.000 0.544 58 P HA -0.128 nan 4.420 nan 0.000 0.218 58 P C 1.293 178.598 177.300 0.008 0.000 1.148 58 P CA 1.040 64.140 63.100 -0.001 0.000 0.822 58 P CB 0.160 31.861 31.700 0.002 0.000 0.784 59 S N -2.592 113.110 115.700 0.003 0.000 2.603 59 S HA 0.052 4.541 4.470 0.033 0.000 0.220 59 S C 0.786 175.391 174.600 0.009 0.000 0.967 59 S CA 0.106 58.310 58.200 0.006 0.000 0.920 59 S CB -0.752 62.450 63.200 0.002 0.000 0.773 59 S HN 0.013 nan 8.310 nan 0.000 0.529 60 N N 2.787 121.494 118.700 0.011 0.000 2.813 60 N HA 0.376 5.136 4.740 0.033 0.000 0.282 60 N C -3.247 172.278 175.510 0.024 0.000 1.748 60 N CA -1.162 51.897 53.050 0.015 0.000 0.860 60 N CB 1.123 39.617 38.487 0.011 0.000 1.204 60 N HN 0.300 nan 8.380 nan 0.000 0.490 61 P HA 0.248 nan 4.420 nan 0.000 0.282 61 P C 0.423 177.741 177.300 0.030 0.000 1.262 61 P CA -0.396 62.726 63.100 0.036 0.000 0.773 61 P CB 0.653 32.374 31.700 0.035 0.000 0.879 62 I N 0.703 121.293 120.570 0.033 0.000 2.395 62 I HA 0.470 4.659 4.170 0.033 0.000 0.289 62 I C -0.114 176.008 176.117 0.008 0.000 1.023 62 I CA -0.663 60.648 61.300 0.019 0.000 1.350 62 I CB 1.053 39.064 38.000 0.017 0.000 1.409 62 I HN 0.147 nan 8.210 nan 0.000 0.507 63 R N 5.755 126.256 120.500 0.002 0.000 2.460 63 R HA 0.662 5.022 4.340 0.033 0.000 0.303 63 R C -0.855 175.434 176.300 -0.018 0.000 0.968 63 R CA -0.956 55.141 56.100 -0.006 0.000 0.889 63 R CB 1.655 31.955 30.300 -0.000 0.000 1.123 63 R HN 0.596 nan 8.270 nan 0.000 0.455 64 R N 2.214 122.696 120.500 -0.031 0.000 2.651 64 R HA 0.376 4.736 4.340 0.033 0.000 0.278 64 R C -2.836 173.434 176.300 -0.050 0.000 1.010 64 R CA -2.781 53.291 56.100 -0.046 0.000 0.896 64 R CB 1.665 31.921 30.300 -0.074 0.000 1.211 64 R HN 0.408 nan 8.270 nan 0.000 0.456 65 P HA 0.267 nan 4.420 nan 0.000 0.271 65 P C -0.394 176.870 177.300 -0.060 0.000 1.220 65 P CA -0.105 62.971 63.100 -0.040 0.000 0.768 65 P CB 0.476 32.160 31.700 -0.028 0.000 0.848 66 I N -0.930 119.611 120.570 -0.048 0.000 3.174 66 I HA 0.723 4.912 4.170 0.033 0.000 0.313 66 I C -0.309 175.793 176.117 -0.025 0.000 1.155 66 I CA -0.944 60.323 61.300 -0.056 0.000 0.977 66 I CB 2.678 40.642 38.000 -0.060 0.000 1.248 66 I HN 0.175 nan 8.210 nan 0.000 0.453 67 S N 1.032 116.724 115.700 -0.013 0.000 2.825 67 S HA 0.777 5.267 4.470 0.033 0.000 0.242 67 S C -0.258 174.348 174.600 0.009 0.000 0.980 67 S CA -0.208 57.992 58.200 -0.001 0.000 1.107 67 S CB 0.165 63.368 63.200 0.004 0.000 1.172 67 S HN 1.091 nan 8.310 nan 0.000 0.483 68 A N 1.475 124.303 122.820 0.012 0.000 2.320 68 A HA 0.678 5.018 4.320 0.033 0.000 0.334 68 A C 0.664 178.259 177.584 0.018 0.000 1.147 68 A CA -0.455 51.600 52.037 0.030 0.000 0.820 68 A CB 0.748 19.787 19.000 0.065 0.000 1.218 68 A HN 0.445 nan 8.150 nan 0.000 0.482 69 D N -0.264 120.139 120.400 0.005 0.000 2.339 69 D HA 0.172 4.832 4.640 0.033 0.000 0.217 69 D C 0.175 176.482 176.300 0.012 0.000 1.050 69 D CA 0.736 54.731 54.000 -0.007 0.000 0.856 69 D CB 0.253 41.031 40.800 -0.036 0.000 0.922 69 D HN 0.438 nan 8.370 nan 0.000 0.518 70 S N -1.179 114.559 115.700 0.063 0.000 2.579 70 S HA 0.614 5.104 4.470 0.033 0.000 0.290 70 S C -2.016 172.738 174.600 0.256 0.000 1.123 70 S CA -0.403 57.885 58.200 0.147 0.000 0.894 70 S CB 0.842 64.152 63.200 0.183 0.000 1.095 70 S HN 0.469 nan 8.310 nan 0.000 0.450 71 A N 3.854 126.788 122.820 0.189 0.000 2.393 71 A HA 0.859 5.199 4.320 0.033 0.000 0.306 71 A C -0.506 177.114 177.584 0.060 0.000 1.050 71 A CA -0.792 51.328 52.037 0.138 0.000 0.724 71 A CB 0.934 19.968 19.000 0.057 0.000 1.248 71 A HN 1.605 nan 8.150 nan 0.000 0.424 72 I N 0.274 120.835 120.570 -0.015 0.000 2.560 72 I HA 0.505 4.695 4.170 0.033 0.000 0.278 72 I C -0.515 175.648 176.117 0.078 0.000 1.089 72 I CA -0.724 60.553 61.300 -0.039 0.000 1.086 72 I CB 1.304 39.152 38.000 -0.252 0.000 1.202 72 I HN 0.637 nan 8.210 nan 0.000 0.471 73 M N 5.278 124.851 119.600 -0.045 0.000 2.245 73 M HA 0.084 4.583 4.480 0.033 0.000 0.335 73 M C 0.565 176.630 176.300 -0.392 0.000 1.155 73 M CA 0.935 56.101 55.300 -0.222 0.000 1.055 73 M CB 0.159 32.545 32.600 -0.356 0.000 1.670 73 M HN 0.798 nan 8.290 nan 0.000 0.447 74 N N 5.239 123.488 118.700 -0.751 0.000 2.441 74 N HA 0.031 4.791 4.740 0.033 0.000 0.251 74 N C -2.022 173.082 175.510 -0.675 0.000 1.242 74 N CA -0.890 51.333 53.050 -1.379 0.000 0.898 74 N CB 0.828 38.589 38.487 -1.210 0.000 1.100 74 N HN 0.422 nan 8.380 nan 0.000 0.443 75 P HA -0.051 nan 4.420 nan 0.000 0.219 75 P C 0.051 177.290 177.300 -0.103 0.000 1.146 75 P CA 1.449 64.427 63.100 -0.203 0.000 0.808 75 P CB 0.217 31.835 31.700 -0.137 0.000 0.779 76 A N -2.242 120.479 122.820 -0.164 0.000 2.456 76 A HA 0.382 4.721 4.320 0.033 0.000 0.237 76 A C 0.603 178.187 177.584 -0.001 0.000 1.217 76 A CA 0.349 52.350 52.037 -0.061 0.000 0.962 76 A CB 0.213 19.158 19.000 -0.091 0.000 1.079 76 A HN 0.237 nan 8.150 nan 0.000 0.536 77 S N -1.233 114.422 115.700 -0.074 0.000 2.596 77 S HA 0.435 4.925 4.470 0.033 0.000 0.270 77 S C -0.674 173.782 174.600 -0.241 0.000 1.155 77 S CA -0.781 57.390 58.200 -0.049 0.000 0.827 77 S CB 0.910 64.057 63.200 -0.089 0.000 1.130 77 S HN 0.096 nan 8.310 nan 0.000 0.467 78 K N 1.239 121.520 120.400 -0.199 0.000 3.256 78 K HA 0.219 4.559 4.320 0.033 0.000 0.285 78 K C -0.864 175.596 176.600 -0.233 0.000 1.086 78 K CA 0.081 56.163 56.287 -0.342 0.000 1.125 78 K CB -0.656 31.747 32.500 -0.163 0.000 1.292 78 K HN 0.379 nan 8.250 nan 0.000 0.312 79 V N 2.374 122.128 119.914 -0.267 0.000 2.384 79 V HA 0.370 4.509 4.120 0.033 0.000 0.287 79 V C -0.138 175.866 176.094 -0.150 0.000 1.020 79 V CA -0.792 61.411 62.300 -0.161 0.000 0.850 79 V CB 1.559 33.264 31.823 -0.197 0.000 0.987 79 V HN 0.338 nan 8.190 nan 0.000 0.436 80 I N 3.843 124.410 120.570 -0.005 0.000 2.509 80 I HA 0.793 4.983 4.170 0.033 0.000 0.293 80 I C 0.190 176.422 176.117 0.192 0.000 1.020 80 I CA -0.695 60.631 61.300 0.044 0.000 1.088 80 I CB 1.836 39.809 38.000 -0.045 0.000 1.267 80 I HN 0.669 nan 8.210 nan 0.000 0.430 81 A N 8.328 131.256 122.820 0.179 0.000 2.289 81 A HA 0.713 5.052 4.320 0.033 0.000 0.298 81 A C -1.037 176.690 177.584 0.238 0.000 1.208 81 A CA -0.389 51.711 52.037 0.105 0.000 0.845 81 A CB 0.401 19.137 19.000 -0.441 0.000 1.125 81 A HN 0.684 nan 8.150 nan 0.000 0.517 82 L N 2.529 124.021 121.223 0.449 0.000 2.354 82 L HA 0.673 5.033 4.340 0.033 0.000 0.269 82 L C -0.020 177.129 176.870 0.465 0.000 1.005 82 L CA -0.788 54.308 54.840 0.427 0.000 0.819 82 L CB 2.377 44.587 42.059 0.252 0.000 1.311 82 L HN 0.936 nan 8.230 nan 0.000 0.423 83 K N 1.506 122.070 120.400 0.273 0.000 2.477 83 K HA 0.918 5.257 4.320 0.033 0.000 0.255 83 K C -1.644 174.935 176.600 -0.034 0.000 0.952 83 K CA -0.812 55.476 56.287 0.001 0.000 0.826 83 K CB 2.717 34.929 32.500 -0.480 0.000 1.331 83 K HN 0.576 nan 8.250 nan 0.000 0.437 84 A N 1.817 124.599 122.820 -0.064 0.000 2.599 84 A HA 0.654 4.993 4.320 0.033 0.000 0.281 84 A C 0.497 178.027 177.584 -0.091 0.000 1.137 84 A CA 0.001 52.004 52.037 -0.056 0.000 0.767 84 A CB 0.492 19.484 19.000 -0.013 0.000 1.266 84 A HN 1.365 nan 8.150 nan 0.000 0.420 85 G N 2.657 111.389 108.800 -0.113 0.000 2.629 85 G HA2 -0.350 3.629 3.960 0.033 0.000 0.313 85 G HA3 -0.350 3.629 3.960 0.033 0.000 0.313 85 G C 0.845 175.650 174.900 -0.158 0.000 1.217 85 G CA 0.886 45.914 45.100 -0.120 0.000 0.994 85 G HN 0.915 nan 8.290 nan 0.000 0.549 86 K N 0.786 121.100 120.400 -0.143 0.000 2.444 86 K HA 0.201 4.540 4.320 0.033 0.000 0.193 86 K C 0.532 177.031 176.600 -0.168 0.000 1.024 86 K CA 0.617 56.802 56.287 -0.170 0.000 1.077 86 K CB 0.294 32.697 32.500 -0.161 0.000 0.833 86 K HN 0.327 nan 8.250 nan 0.000 0.517 87 T N 2.549 117.027 114.554 -0.127 0.000 2.749 87 T HA 0.336 4.705 4.350 0.033 0.000 0.295 87 T C -0.253 174.425 174.700 -0.036 0.000 0.936 87 T CA -0.202 61.850 62.100 -0.080 0.000 1.060 87 T CB 0.506 69.350 68.868 -0.042 0.000 0.904 87 T HN 0.044 nan 8.240 nan 0.000 0.500 88 L N 4.239 125.479 121.223 0.028 0.000 2.349 88 L HA 0.532 4.891 4.340 0.033 0.000 0.278 88 L C -0.055 176.994 176.870 0.298 0.000 0.996 88 L CA -0.865 54.087 54.840 0.185 0.000 0.825 88 L CB 1.623 43.831 42.059 0.248 0.000 1.243 88 L HN 0.481 nan 8.230 nan 0.000 0.412 89 Q N 3.504 123.509 119.800 0.341 0.000 2.375 89 Q HA 0.649 5.009 4.340 0.033 0.000 0.271 89 Q C -1.407 174.785 176.000 0.320 0.000 1.074 89 Q CA -0.877 55.084 55.803 0.264 0.000 0.808 89 Q CB 3.501 32.366 28.738 0.211 0.000 1.327 89 Q HN 0.433 nan 8.270 nan 0.000 0.441 90 I N 2.160 122.813 120.570 0.139 0.000 2.382 90 I HA 0.360 4.549 4.170 0.033 0.000 0.286 90 I C -1.148 175.013 176.117 0.073 0.000 1.002 90 I CA -0.109 61.286 61.300 0.159 0.000 1.135 90 I CB 0.750 38.759 38.000 0.016 0.000 1.288 90 I HN 0.425 nan 8.210 nan 0.000 0.448 91 F N 3.644 123.616 119.950 0.036 0.000 2.458 91 F HA 0.393 4.939 4.527 0.031 0.000 0.330 91 F C 0.718 176.505 175.800 -0.022 0.000 1.082 91 F CA -0.997 57.009 58.000 0.010 0.000 0.995 91 F CB 1.171 40.176 39.000 0.009 0.000 1.170 91 F HN 0.377 nan 8.300 nan 0.000 0.478 92 N N 2.740 121.538 118.700 0.163 0.000 2.801 92 N HA 0.288 5.048 4.740 0.033 0.000 0.235 92 N C 1.107 176.657 175.510 0.067 0.000 1.069 92 N CA -0.079 53.007 53.050 0.060 0.000 0.946 92 N CB 0.153 38.653 38.487 0.021 0.000 1.212 92 N HN 0.633 nan 8.380 nan 0.000 0.509 93 I N 1.264 121.856 120.570 0.036 0.000 2.147 93 I HA -0.412 3.778 4.170 0.033 0.000 0.245 93 I C 1.941 178.064 176.117 0.010 0.000 1.059 93 I CA 1.605 62.908 61.300 0.006 0.000 1.320 93 I CB -0.213 37.752 38.000 -0.059 0.000 1.021 93 I HN 0.658 nan 8.210 nan 0.000 0.415 94 E N 0.695 120.895 120.200 0.000 0.000 2.051 94 E HA -0.215 4.154 4.350 0.033 0.000 0.192 94 E C 1.979 178.588 176.600 0.015 0.000 0.991 94 E CA 1.695 58.099 56.400 0.007 0.000 0.799 94 E CB -0.151 29.550 29.700 0.003 0.000 0.748 94 E HN 0.608 nan 8.360 nan 0.000 0.449 95 M N -0.293 119.318 119.600 0.018 0.000 2.608 95 M HA 0.242 4.742 4.480 0.033 0.000 0.224 95 M C -0.464 175.859 176.300 0.038 0.000 1.204 95 M CA 0.262 55.575 55.300 0.022 0.000 0.984 95 M CB 0.021 32.629 32.600 0.013 0.000 1.691 95 M HN -0.228 nan 8.290 nan 0.000 0.469 96 K N 2.119 122.553 120.400 0.056 0.000 3.213 96 K HA -0.185 4.154 4.320 0.033 0.000 0.266 96 K C -0.281 176.389 176.600 0.116 0.000 0.911 96 K CA 0.866 57.206 56.287 0.089 0.000 0.684 96 K CB -1.861 30.676 32.500 0.062 0.000 1.402 96 K HN 0.859 nan 8.250 nan 0.000 0.465 97 S N -0.842 114.929 115.700 0.118 0.000 2.627 97 S HA 0.497 4.987 4.470 0.033 0.000 0.283 97 S C -0.769 173.807 174.600 -0.041 0.000 1.127 97 S CA -1.219 57.013 58.200 0.053 0.000 0.863 97 S CB 2.194 65.399 63.200 0.008 0.000 1.121 97 S HN 0.169 nan 8.310 nan 0.000 0.479 98 K N 1.784 122.049 120.400 -0.225 0.000 2.268 98 K HA 0.316 4.656 4.320 0.033 0.000 0.276 98 K C 0.725 177.195 176.600 -0.217 0.000 1.080 98 K CA -0.317 55.688 56.287 -0.472 0.000 0.910 98 K CB 0.802 32.950 32.500 -0.588 0.000 1.163 98 K HN 0.658 nan 8.250 nan 0.000 0.465 99 M N 1.703 121.210 119.600 -0.155 0.000 2.062 99 M HA -0.132 4.368 4.480 0.033 0.000 0.259 99 M C 0.502 176.763 176.300 -0.065 0.000 1.076 99 M CA 1.734 56.983 55.300 -0.084 0.000 1.122 99 M CB 0.009 32.570 32.600 -0.066 0.000 1.312 99 M HN 0.326 nan 8.290 nan 0.000 0.412 100 K N -0.603 119.762 120.400 -0.058 0.000 2.400 100 K HA 0.792 5.132 4.320 0.033 0.000 0.246 100 K C -1.378 175.299 176.600 0.127 0.000 0.995 100 K CA -0.853 55.463 56.287 0.049 0.000 0.840 100 K CB 2.395 34.903 32.500 0.013 0.000 1.293 100 K HN 0.153 nan 8.250 nan 0.000 0.445 101 A N 1.035 124.013 122.820 0.263 0.000 2.574 101 A HA 0.624 4.963 4.320 0.033 0.000 0.297 101 A C -1.966 175.790 177.584 0.288 0.000 1.062 101 A CA -0.504 51.678 52.037 0.242 0.000 0.686 101 A CB 1.396 20.439 19.000 0.073 0.000 1.285 101 A HN 0.884 nan 8.150 nan 0.000 0.403 102 H N -0.291 118.805 119.070 0.044 0.000 3.079 102 H HA 0.681 5.250 4.556 0.021 0.000 0.356 102 H C -1.305 173.911 175.328 -0.186 0.000 1.221 102 H CA 0.080 56.022 56.048 -0.178 0.000 1.185 102 H CB 2.026 31.431 29.762 -0.595 0.000 1.882 102 H HN 0.555 nan 8.280 nan 0.000 0.543 103 T N 5.906 119.974 114.554 -0.809 0.000 2.809 103 T HA 0.310 4.680 4.350 0.033 0.000 0.296 103 T C 0.035 174.322 174.700 -0.688 0.000 1.015 103 T CA -0.896 60.879 62.100 -0.542 0.000 0.954 103 T CB 0.393 69.053 68.868 -0.348 0.000 0.950 103 T HN 0.374 nan 8.240 nan 0.000 0.450 104 M N 2.519 121.887 119.600 -0.386 0.000 2.228 104 M HA 0.233 4.732 4.480 0.033 0.000 0.326 104 M C 1.433 177.584 176.300 -0.248 0.000 1.122 104 M CA -0.121 55.005 55.300 -0.289 0.000 1.161 104 M CB 0.299 32.754 32.600 -0.242 0.000 1.437 104 M HN 0.665 nan 8.290 nan 0.000 0.465 105 T N -2.504 111.920 114.554 -0.217 0.000 3.251 105 T HA 0.348 4.718 4.350 0.033 0.000 0.259 105 T C -0.293 174.329 174.700 -0.129 0.000 0.998 105 T CA -0.414 61.590 62.100 -0.160 0.000 0.905 105 T CB -0.164 68.623 68.868 -0.136 0.000 1.067 105 T HN 0.579 nan 8.240 nan 0.000 0.569 106 D N 0.509 120.825 120.400 -0.141 0.000 2.685 106 D HA 0.193 4.853 4.640 0.033 0.000 0.236 106 D C -1.533 174.692 176.300 -0.125 0.000 1.233 106 D CA -0.505 53.431 54.000 -0.107 0.000 0.760 106 D CB 2.146 42.900 40.800 -0.077 0.000 1.410 106 D HN 0.053 nan 8.370 nan 0.000 0.439 107 D N 0.314 120.652 120.400 -0.104 0.000 2.372 107 D HA 0.222 4.882 4.640 0.033 0.000 0.243 107 D C -0.073 176.149 176.300 -0.129 0.000 1.121 107 D CA 0.046 53.971 54.000 -0.124 0.000 0.898 107 D CB 1.373 42.114 40.800 -0.098 0.000 1.202 107 D HN -0.097 nan 8.370 nan 0.000 0.428 108 V N 2.194 121.989 119.914 -0.199 0.000 2.385 108 V HA 0.068 4.208 4.120 0.033 0.000 0.269 108 V C 1.536 177.533 176.094 -0.161 0.000 1.043 108 V CA -0.100 62.075 62.300 -0.208 0.000 0.906 108 V CB 1.287 32.872 31.823 -0.398 0.000 0.995 108 V HN 0.673 nan 8.190 nan 0.000 0.467 109 T N 4.770 119.309 114.554 -0.024 0.000 3.043 109 T HA 0.151 4.521 4.350 0.033 0.000 0.263 109 T C -0.051 174.774 174.700 0.209 0.000 1.094 109 T CA 0.715 62.853 62.100 0.065 0.000 1.127 109 T CB -0.143 68.782 68.868 0.095 0.000 0.905 109 T HN 0.510 nan 8.240 nan 0.000 0.490 110 F N 1.618 121.580 119.950 0.020 0.000 2.660 110 F HA 0.479 5.022 4.527 0.025 0.000 0.320 110 F C -2.406 173.552 175.800 0.263 0.000 1.099 110 F CA -1.263 56.828 58.000 0.152 0.000 1.061 110 F CB 0.816 39.938 39.000 0.202 0.000 1.300 110 F HN 0.112 nan 8.300 nan 0.000 0.479 111 W N 5.563 126.528 121.300 -0.559 0.000 3.118 111 W HA 0.792 5.474 4.660 0.037 0.000 0.328 111 W C -2.178 174.010 176.519 -0.551 0.000 1.239 111 W CA -1.851 55.265 57.345 -0.382 0.000 1.176 111 W CB 0.785 30.122 29.460 -0.205 0.000 1.433 111 W HN 0.851 nan 8.180 nan 0.000 0.562 112 K N 0.308 120.548 120.400 -0.267 0.000 2.610 112 K HA 0.409 4.749 4.320 0.033 0.000 0.278 112 K C -1.756 174.742 176.600 -0.171 0.000 0.964 112 K CA -0.624 55.494 56.287 -0.283 0.000 0.859 112 K CB 1.100 33.563 32.500 -0.061 0.000 1.434 112 K HN 0.401 nan 8.250 nan 0.000 0.410 113 W N 3.132 124.349 121.300 -0.138 0.000 2.190 113 W HA 0.283 4.969 4.660 0.043 0.000 0.330 113 W C 1.172 177.699 176.519 0.013 0.000 1.299 113 W CA -0.277 57.018 57.345 -0.083 0.000 1.215 113 W CB 0.576 29.966 29.460 -0.117 0.000 1.147 113 W HN 0.619 nan 8.180 nan 0.000 0.563 114 I N 0.157 120.867 120.570 0.233 0.000 4.225 114 I HA 0.399 4.588 4.170 0.033 0.000 0.327 114 I C 0.331 176.521 176.117 0.122 0.000 1.422 114 I CA -0.183 61.219 61.300 0.170 0.000 1.150 114 I CB -0.049 38.033 38.000 0.137 0.000 1.192 114 I HN 0.223 nan 8.210 nan 0.000 0.440 115 S N -0.082 115.711 115.700 0.155 0.000 2.703 115 S HA 0.408 4.897 4.470 0.033 0.000 0.273 115 S C 0.164 174.828 174.600 0.106 0.000 1.178 115 S CA -0.820 57.441 58.200 0.101 0.000 0.838 115 S CB 0.915 64.155 63.200 0.067 0.000 1.178 115 S HN -0.011 nan 8.310 nan 0.000 0.494 116 L N 1.520 122.764 121.223 0.034 0.000 2.217 116 L HA 0.090 4.449 4.340 0.033 0.000 0.211 116 L C 1.189 178.045 176.870 -0.023 0.000 1.107 116 L CA 2.047 56.861 54.840 -0.044 0.000 0.783 116 L CB -1.842 40.185 42.059 -0.052 0.000 0.919 116 L HN 0.958 nan 8.230 nan 0.000 0.442 117 N N -2.375 116.373 118.700 0.080 0.000 2.241 117 N HA 0.033 4.793 4.740 0.033 0.000 0.238 117 N C -0.323 175.303 175.510 0.193 0.000 1.244 117 N CA -0.144 52.985 53.050 0.132 0.000 0.880 117 N CB 0.517 39.026 38.487 0.038 0.000 1.179 117 N HN -0.157 nan 8.380 nan 0.000 0.513 118 T N 0.167 114.867 114.554 0.244 0.000 2.921 118 T HA 0.455 4.825 4.350 0.033 0.000 0.297 118 T C -0.961 173.716 174.700 -0.038 0.000 1.013 118 T CA -0.538 61.600 62.100 0.064 0.000 0.990 118 T CB 2.222 71.095 68.868 0.008 0.000 1.023 118 T HN -0.112 nan 8.240 nan 0.000 0.447 119 V N 2.423 122.164 119.914 -0.289 0.000 2.483 119 V HA 0.810 4.950 4.120 0.033 0.000 0.295 119 V C 0.237 176.296 176.094 -0.059 0.000 1.035 119 V CA -0.910 61.109 62.300 -0.469 0.000 0.896 119 V CB 1.508 32.856 31.823 -0.792 0.000 0.986 119 V HN 1.073 nan 8.190 nan 0.000 0.447 120 A N 5.802 128.629 122.820 0.012 0.000 2.292 120 A HA 0.885 5.224 4.320 0.033 0.000 0.319 120 A C -0.843 176.850 177.584 0.182 0.000 1.206 120 A CA -0.471 51.673 52.037 0.178 0.000 0.835 120 A CB 0.518 19.680 19.000 0.270 0.000 1.164 120 A HN 0.786 nan 8.150 nan 0.000 0.505 121 L N 2.737 124.072 121.223 0.188 0.000 2.333 121 L HA 0.605 4.964 4.340 0.033 0.000 0.280 121 L C -0.780 176.163 176.870 0.122 0.000 1.004 121 L CA -0.776 54.185 54.840 0.203 0.000 0.820 121 L CB 1.971 44.134 42.059 0.173 0.000 1.247 121 L HN 0.395 nan 8.230 nan 0.000 0.416 122 V N 1.257 121.253 119.914 0.136 0.000 2.448 122 V HA 0.646 4.786 4.120 0.033 0.000 0.295 122 V C 0.215 176.354 176.094 0.076 0.000 1.025 122 V CA -0.462 61.888 62.300 0.084 0.000 0.859 122 V CB 1.808 33.745 31.823 0.190 0.000 0.988 122 V HN 0.903 nan 8.190 nan 0.000 0.431 123 T N -0.762 113.818 114.554 0.044 0.000 2.940 123 T HA 0.364 4.733 4.350 0.033 0.000 0.288 123 T C 0.507 175.211 174.700 0.006 0.000 1.045 123 T CA -0.704 61.412 62.100 0.028 0.000 1.018 123 T CB 1.691 70.592 68.868 0.055 0.000 1.151 123 T HN 0.457 nan 8.240 nan 0.000 0.529 124 D N 1.019 121.420 120.400 0.000 0.000 2.357 124 D HA -0.103 4.556 4.640 0.033 0.000 0.216 124 D C 1.251 177.540 176.300 -0.018 0.000 0.973 124 D CA 1.217 55.215 54.000 -0.004 0.000 0.912 124 D CB -0.027 40.769 40.800 -0.006 0.000 0.900 124 D HN 0.782 nan 8.370 nan 0.000 0.501 125 N N -1.327 117.352 118.700 -0.035 0.000 1.986 125 N HA 0.212 4.972 4.740 0.033 0.000 0.227 125 N C -0.206 175.221 175.510 -0.137 0.000 1.387 125 N CA -0.265 52.747 53.050 -0.062 0.000 0.810 125 N CB 1.022 39.481 38.487 -0.046 0.000 1.140 125 N HN -0.013 nan 8.380 nan 0.000 0.504 126 A N 0.296 122.996 122.820 -0.200 0.000 2.609 126 A HA 0.686 5.026 4.320 0.033 0.000 0.291 126 A C -1.615 175.564 177.584 -0.675 0.000 1.096 126 A CA -0.523 51.224 52.037 -0.483 0.000 0.684 126 A CB 2.006 20.703 19.000 -0.506 0.000 1.282 126 A HN -0.047 nan 8.150 nan 0.000 0.412 127 V N 1.387 120.616 119.914 -1.142 0.000 2.487 127 V HA 0.568 4.707 4.120 0.033 0.000 0.298 127 V C -1.407 174.015 176.094 -1.120 0.000 1.028 127 V CA -0.343 61.328 62.300 -1.049 0.000 0.860 127 V CB 0.986 32.008 31.823 -1.335 0.000 0.991 127 V HN 0.751 nan 8.190 nan 0.000 0.427 128 Y N 2.243 122.334 120.300 -0.347 0.000 2.509 128 Y HA 0.624 5.119 4.550 -0.093 0.000 0.341 128 Y C 0.211 176.120 175.900 0.015 0.000 1.038 128 Y CA -0.893 57.084 58.100 -0.206 0.000 1.089 128 Y CB 1.475 39.836 38.460 -0.166 0.000 1.241 128 Y HN 0.571 nan 8.280 nan 0.000 0.468 129 H N 0.350 119.502 119.070 0.137 0.000 2.489 129 H HA 0.205 4.784 4.556 0.038 0.000 0.343 129 H C -1.728 173.739 175.328 0.231 0.000 1.086 129 H CA -0.789 55.358 56.048 0.164 0.000 1.198 129 H CB 1.557 31.414 29.762 0.158 0.000 1.490 129 H HN 0.703 nan 8.280 nan 0.000 0.504 130 W N 4.377 125.724 121.300 0.079 0.000 2.463 130 W HA 0.267 4.958 4.660 0.052 0.000 0.316 130 W C -0.722 175.781 176.519 -0.026 0.000 1.004 130 W CA -0.950 56.386 57.345 -0.015 0.000 1.309 130 W CB 1.441 30.848 29.460 -0.088 0.000 1.288 130 W HN 0.362 nan 8.180 nan 0.000 0.423 131 S N 5.296 121.060 115.700 0.108 0.000 2.565 131 S HA 0.224 4.714 4.470 0.033 0.000 0.276 131 S C 0.996 175.454 174.600 -0.237 0.000 1.326 131 S CA -0.147 58.029 58.200 -0.040 0.000 1.045 131 S CB 0.758 63.987 63.200 0.048 0.000 0.918 131 S HN 0.497 nan 8.310 nan 0.000 0.505 132 M N 2.121 121.602 119.600 -0.198 0.000 2.502 132 M HA 0.218 4.718 4.480 0.033 0.000 0.243 132 M C 0.548 176.785 176.300 -0.105 0.000 1.130 132 M CA 0.274 55.434 55.300 -0.233 0.000 1.055 132 M CB -1.443 31.081 32.600 -0.127 0.000 1.457 132 M HN 0.691 nan 8.290 nan 0.000 0.488 133 E N 1.734 121.904 120.200 -0.050 0.000 2.341 133 E HA 0.353 4.723 4.350 0.033 0.000 0.256 133 E C 0.928 177.529 176.600 0.001 0.000 1.125 133 E CA 0.972 57.364 56.400 -0.014 0.000 0.939 133 E CB -0.218 29.486 29.700 0.007 0.000 0.991 133 E HN 0.516 nan 8.360 nan 0.000 0.458 134 G N 4.645 113.445 108.800 -0.001 0.000 2.562 134 G HA2 -0.317 3.663 3.960 0.033 0.000 0.250 134 G HA3 -0.317 3.663 3.960 0.033 0.000 0.250 134 G C -0.780 174.137 174.900 0.029 0.000 1.269 134 G CA 0.055 45.164 45.100 0.015 0.000 0.919 134 G HN 0.598 nan 8.290 nan 0.000 0.574 135 E N 0.390 120.619 120.200 0.048 0.000 2.136 135 E HA 0.598 4.967 4.350 0.033 0.000 0.246 135 E C -0.356 176.306 176.600 0.103 0.000 1.017 135 E CA -0.201 56.243 56.400 0.075 0.000 0.883 135 E CB 1.057 30.792 29.700 0.057 0.000 1.199 135 E HN 0.438 nan 8.360 nan 0.000 0.447 136 S N 2.029 117.822 115.700 0.155 0.000 2.566 136 S HA 0.409 4.898 4.470 0.033 0.000 0.298 136 S C -0.623 174.185 174.600 0.348 0.000 1.083 136 S CA -0.988 57.330 58.200 0.196 0.000 0.978 136 S CB 1.341 64.651 63.200 0.183 0.000 1.073 136 S HN 0.531 nan 8.310 nan 0.000 0.491 137 Q N 0.224 120.138 119.800 0.190 0.000 2.433 137 Q HA 0.669 5.029 4.340 0.033 0.000 0.279 137 Q C -3.164 172.682 176.000 -0.256 0.000 1.105 137 Q CA -2.462 53.281 55.803 -0.100 0.000 0.815 137 Q CB 0.144 28.796 28.738 -0.143 0.000 1.403 137 Q HN 0.175 nan 8.270 nan 0.000 0.435 138 P HA -0.102 nan 4.420 nan 0.000 0.265 138 P C -1.111 176.121 177.300 -0.113 0.000 1.167 138 P CA 0.261 63.087 63.100 -0.458 0.000 0.760 138 P CB 0.364 31.580 31.700 -0.807 0.000 0.783 139 V N 3.558 123.524 119.914 0.086 0.000 2.531 139 V HA 0.266 4.405 4.120 0.033 0.000 0.301 139 V C 0.315 176.499 176.094 0.150 0.000 1.034 139 V CA -0.879 61.489 62.300 0.113 0.000 0.865 139 V CB 1.713 33.596 31.823 0.102 0.000 0.995 139 V HN 0.425 nan 8.190 nan 0.000 0.424 140 K N 4.289 124.768 120.400 0.131 0.000 2.416 140 K HA 0.198 4.537 4.320 0.033 0.000 0.283 140 K C 0.550 176.957 176.600 -0.322 0.000 1.037 140 K CA -0.380 55.747 56.287 -0.266 0.000 0.995 140 K CB 0.785 33.151 32.500 -0.223 0.000 0.938 140 K HN 0.556 nan 8.250 nan 0.000 0.475 141 M N 4.185 123.471 119.600 -0.523 0.000 2.466 141 M HA 0.120 4.619 4.480 0.033 0.000 0.265 141 M C 0.129 176.240 176.300 -0.314 0.000 1.122 141 M CA 0.789 55.893 55.300 -0.327 0.000 1.157 141 M CB -0.700 31.693 32.600 -0.345 0.000 1.352 141 M HN 0.595 nan 8.290 nan 0.000 0.464 142 F N -2.902 116.675 119.950 -0.622 0.000 2.793 142 F HA 0.420 4.985 4.527 0.063 0.000 0.316 142 F C -1.581 173.921 175.800 -0.496 0.000 1.147 142 F CA -1.932 55.635 58.000 -0.722 0.000 0.930 142 F CB 0.361 38.524 39.000 -1.395 0.000 1.277 142 F HN -0.252 nan 8.300 nan 0.000 0.443 143 D N 2.478 122.723 120.400 -0.258 0.000 2.308 143 D HA 0.239 4.899 4.640 0.033 0.000 0.251 143 D C 0.013 176.293 176.300 -0.034 0.000 1.127 143 D CA -0.179 53.698 54.000 -0.206 0.000 0.876 143 D CB 1.343 42.075 40.800 -0.114 0.000 1.176 143 D HN 0.498 nan 8.370 nan 0.000 0.446 144 R N 1.371 121.819 120.500 -0.086 0.000 2.638 144 R HA -0.049 4.310 4.340 0.033 0.000 0.268 144 R C 0.738 177.110 176.300 0.120 0.000 1.006 144 R CA 0.135 56.275 56.100 0.067 0.000 1.088 144 R CB 0.409 30.715 30.300 0.009 0.000 0.950 144 R HN 0.463 nan 8.270 nan 0.000 0.419 145 H N 1.032 120.150 119.070 0.080 0.000 2.525 145 H HA 0.012 4.588 4.556 0.033 0.000 0.339 145 H C 0.675 176.016 175.328 0.022 0.000 1.109 145 H CA 0.206 56.282 56.048 0.046 0.000 1.352 145 H CB 1.270 31.061 29.762 0.047 0.000 1.461 145 H HN 0.710 nan 8.280 nan 0.000 0.533 146 S N 2.224 117.848 115.700 -0.126 0.000 2.440 146 S HA -0.216 4.273 4.470 0.033 0.000 0.238 146 S C 1.911 176.593 174.600 0.137 0.000 1.010 146 S CA 1.162 59.352 58.200 -0.016 0.000 0.972 146 S CB -0.406 62.725 63.200 -0.116 0.000 0.774 146 S HN 0.638 nan 8.310 nan 0.000 0.501 147 S N 0.985 116.933 115.700 0.414 0.000 2.547 147 S HA 0.146 4.635 4.470 0.033 0.000 0.235 147 S C 1.226 175.880 174.600 0.091 0.000 0.980 147 S CA 0.429 58.758 58.200 0.215 0.000 0.941 147 S CB -0.385 62.893 63.200 0.130 0.000 0.763 147 S HN 0.400 nan 8.310 nan 0.000 0.532 148 L N 0.737 122.020 121.223 0.100 0.000 2.731 148 L HA 0.487 4.847 4.340 0.033 0.000 0.240 148 L C 1.144 178.034 176.870 0.033 0.000 1.120 148 L CA 0.121 54.989 54.840 0.046 0.000 0.913 148 L CB -0.384 41.709 42.059 0.056 0.000 1.213 148 L HN 0.280 nan 8.230 nan 0.000 0.515 149 A N 0.222 123.065 122.820 0.039 0.000 2.540 149 A HA 0.382 4.721 4.320 0.033 0.000 0.264 149 A C 1.537 179.127 177.584 0.010 0.000 1.080 149 A CA 1.014 53.063 52.037 0.020 0.000 0.776 149 A CB -0.852 18.156 19.000 0.013 0.000 1.011 149 A HN 0.678 nan 8.150 nan 0.000 0.514 150 G N 1.223 110.028 108.800 0.008 0.000 2.259 150 G HA2 -0.245 3.735 3.960 0.033 0.000 0.217 150 G HA3 -0.245 3.735 3.960 0.033 0.000 0.217 150 G C 0.555 175.456 174.900 0.003 0.000 1.001 150 G CA -0.034 45.068 45.100 0.004 0.000 0.627 150 G HN 1.122 nan 8.290 nan 0.000 0.501 151 C N 1.692 120.991 119.300 -0.000 0.000 2.700 151 C HA 0.526 5.006 4.460 0.033 0.000 0.397 151 C C 1.044 176.037 174.990 0.006 0.000 1.301 151 C CA 0.273 59.285 59.018 -0.010 0.000 2.219 151 C CB 0.954 28.680 27.740 -0.022 0.000 2.699 151 C HN 0.667 nan 8.230 nan 0.000 0.669 152 Q N 2.247 122.050 119.800 0.005 0.000 2.337 152 Q HA 0.309 4.668 4.340 0.033 0.000 0.255 152 Q C -0.511 175.502 176.000 0.022 0.000 0.997 152 Q CA -0.433 55.394 55.803 0.040 0.000 0.925 152 Q CB 0.330 29.096 28.738 0.048 0.000 1.212 152 Q HN 0.582 nan 8.270 nan 0.000 0.436 153 I N 6.670 127.258 120.570 0.030 0.000 2.618 153 I HA -0.085 4.105 4.170 0.033 0.000 0.284 153 I C 1.126 177.154 176.117 -0.149 0.000 1.146 153 I CA 0.564 61.809 61.300 -0.091 0.000 1.425 153 I CB 0.267 38.203 38.000 -0.107 0.000 1.383 153 I HN 0.834 nan 8.210 nan 0.000 0.562 154 I N 1.921 122.325 120.570 -0.277 0.000 4.526 154 I HA 0.394 4.584 4.170 0.033 0.000 0.330 154 I C 0.127 176.142 176.117 -0.170 0.000 1.323 154 I CA -0.192 61.041 61.300 -0.112 0.000 1.218 154 I CB 0.755 38.698 38.000 -0.095 0.000 1.233 154 I HN 0.589 nan 8.210 nan 0.000 0.430 155 N N 0.266 118.708 118.700 -0.430 0.000 2.815 155 N HA 0.397 5.157 4.740 0.033 0.000 0.253 155 N C -2.156 173.459 175.510 0.174 0.000 1.202 155 N CA -0.438 52.608 53.050 -0.007 0.000 0.925 155 N CB 1.896 40.506 38.487 0.206 0.000 1.622 155 N HN 0.158 nan 8.380 nan 0.000 0.497 156 Y N 2.043 122.562 120.300 0.365 0.000 2.421 156 Y HA 0.643 5.220 4.550 0.045 0.000 0.339 156 Y C -0.996 175.134 175.900 0.384 0.000 0.996 156 Y CA -0.424 57.910 58.100 0.390 0.000 1.046 156 Y CB 1.201 39.968 38.460 0.512 0.000 1.226 156 Y HN 0.540 nan 8.280 nan 0.000 0.445 157 R N 2.654 123.022 120.500 -0.220 0.000 2.855 157 R HA 0.772 5.131 4.340 0.033 0.000 0.266 157 R C -1.370 174.802 176.300 -0.213 0.000 1.034 157 R CA -1.215 54.857 56.100 -0.046 0.000 0.944 157 R CB 2.441 32.886 30.300 0.242 0.000 1.219 157 R HN 0.655 nan 8.270 nan 0.000 0.474 158 T N 0.777 115.309 114.554 -0.038 0.000 2.894 158 T HA 0.172 4.541 4.350 0.033 0.000 0.309 158 T C -1.222 173.297 174.700 -0.302 0.000 1.208 158 T CA -0.839 61.143 62.100 -0.196 0.000 1.016 158 T CB 1.735 70.555 68.868 -0.079 0.000 1.192 158 T HN 0.682 nan 8.240 nan 0.000 0.491 159 D N 1.119 121.084 120.400 -0.725 0.000 2.414 159 D HA 0.421 5.080 4.640 0.033 0.000 0.251 159 D C 1.498 177.726 176.300 -0.120 0.000 1.252 159 D CA -0.358 53.338 54.000 -0.507 0.000 0.999 159 D CB 0.440 40.928 40.800 -0.519 0.000 1.093 159 D HN 0.510 nan 8.370 nan 0.000 0.515 160 A N 0.226 123.043 122.820 -0.006 0.000 1.851 160 A HA -0.217 4.123 4.320 0.033 0.000 0.216 160 A C 1.950 179.546 177.584 0.021 0.000 1.195 160 A CA 1.937 53.990 52.037 0.027 0.000 0.622 160 A CB -0.796 18.233 19.000 0.050 0.000 0.831 160 A HN 0.642 nan 8.150 nan 0.000 0.444 161 K N -0.304 120.114 120.400 0.030 0.000 2.569 161 K HA 0.023 4.363 4.320 0.033 0.000 0.193 161 K C -0.155 176.458 176.600 0.022 0.000 1.026 161 K CA 0.300 56.607 56.287 0.033 0.000 1.093 161 K CB -0.313 32.217 32.500 0.050 0.000 0.849 161 K HN 0.543 nan 8.250 nan 0.000 0.509 162 Q N -0.104 119.698 119.800 0.004 0.000 2.434 162 Q HA -0.222 4.138 4.340 0.033 0.000 0.299 162 Q C 0.024 176.019 176.000 -0.008 0.000 1.286 162 Q CA 0.472 56.289 55.803 0.024 0.000 0.872 162 Q CB -0.362 28.430 28.738 0.090 0.000 1.193 162 Q HN 0.148 nan 8.270 nan 0.000 0.466 163 K N -1.300 119.045 120.400 -0.091 0.000 2.355 163 K HA 0.110 4.450 4.320 0.033 0.000 0.198 163 K C -0.497 175.652 176.600 -0.752 0.000 1.039 163 K CA 0.614 56.724 56.287 -0.295 0.000 1.075 163 K CB 0.556 32.938 32.500 -0.198 0.000 0.870 163 K HN 0.237 nan 8.250 nan 0.000 0.540 164 W N 1.372 122.503 121.300 -0.282 0.000 2.900 164 W HA 0.446 5.128 4.660 0.037 0.000 0.336 164 W C -0.732 175.542 176.519 -0.408 0.000 1.064 164 W CA -0.540 56.584 57.345 -0.368 0.000 1.237 164 W CB 0.969 30.145 29.460 -0.472 0.000 1.391 164 W HN -0.279 nan 8.180 nan 0.000 0.468 165 L N 4.235 125.429 121.223 -0.049 0.000 2.362 165 L HA 0.779 5.139 4.340 0.033 0.000 0.271 165 L C -0.964 175.935 176.870 0.048 0.000 1.002 165 L CA -1.362 53.483 54.840 0.009 0.000 0.818 165 L CB 1.664 43.883 42.059 0.266 0.000 1.298 165 L HN 0.240 nan 8.230 nan 0.000 0.420 166 L N 3.565 124.813 121.223 0.042 0.000 2.406 166 L HA 0.589 4.949 4.340 0.033 0.000 0.270 166 L C -1.271 175.726 176.870 0.210 0.000 0.982 166 L CA -0.321 54.590 54.840 0.119 0.000 0.843 166 L CB 1.709 43.884 42.059 0.193 0.000 1.225 166 L HN 0.525 nan 8.230 nan 0.000 0.412 167 L N 4.276 125.697 121.223 0.331 0.000 2.334 167 L HA 0.843 5.202 4.340 0.033 0.000 0.275 167 L C -0.581 176.404 176.870 0.192 0.000 1.036 167 L CA 0.461 55.549 54.840 0.412 0.000 0.807 167 L CB 2.089 44.435 42.059 0.479 0.000 1.231 167 L HN 0.672 nan 8.230 nan 0.000 0.438 168 T N 3.328 117.954 114.554 0.120 0.000 2.952 168 T HA 0.809 5.179 4.350 0.033 0.000 0.305 168 T C -0.509 174.178 174.700 -0.022 0.000 1.064 168 T CA -0.338 61.789 62.100 0.046 0.000 1.008 168 T CB 1.621 70.532 68.868 0.072 0.000 1.078 168 T HN 0.956 nan 8.240 nan 0.000 0.459 169 G N 1.509 110.289 108.800 -0.033 0.000 2.642 169 G HA2 0.820 4.799 3.960 0.033 0.000 0.293 169 G HA3 0.820 4.799 3.960 0.033 0.000 0.293 169 G C -1.377 173.475 174.900 -0.079 0.000 1.341 169 G CA -0.889 44.180 45.100 -0.051 0.000 0.916 169 G HN 0.902 nan 8.290 nan 0.000 0.474 170 I N -1.211 119.310 120.570 -0.082 0.000 2.730 170 I HA 0.873 5.063 4.170 0.033 0.000 0.298 170 I C -0.166 175.888 176.117 -0.104 0.000 1.089 170 I CA -0.972 60.249 61.300 -0.132 0.000 1.041 170 I CB 2.530 40.443 38.000 -0.146 0.000 1.235 170 I HN 0.616 nan 8.210 nan 0.000 0.423 171 S N 2.966 118.593 115.700 -0.121 0.000 2.618 171 S HA 0.913 5.403 4.470 0.033 0.000 0.277 171 S C -0.675 173.870 174.600 -0.090 0.000 1.138 171 S CA -0.721 57.430 58.200 -0.081 0.000 0.844 171 S CB 1.560 64.726 63.200 -0.058 0.000 1.127 171 S HN 1.197 nan 8.310 nan 0.000 0.474 172 A N 1.176 123.960 122.820 -0.060 0.000 2.276 172 A HA 0.691 5.031 4.320 0.033 0.000 0.300 172 A C -0.227 177.331 177.584 -0.042 0.000 1.235 172 A CA -0.467 51.538 52.037 -0.053 0.000 0.867 172 A CB 0.042 19.023 19.000 -0.031 0.000 1.137 172 A HN 0.741 nan 8.150 nan 0.000 0.527 173 Q N 1.171 120.944 119.800 -0.046 0.000 2.379 173 Q HA 0.454 4.813 4.340 0.033 0.000 0.278 173 Q C -0.891 175.091 176.000 -0.031 0.000 1.068 173 Q CA -0.857 54.925 55.803 -0.035 0.000 0.816 173 Q CB 1.966 30.680 28.738 -0.039 0.000 1.387 173 Q HN 0.796 nan 8.270 nan 0.000 0.413 174 Q N 1.139 120.926 119.800 -0.022 0.000 2.461 174 Q HA -0.315 4.044 4.340 0.033 0.000 0.273 174 Q C -0.592 175.396 176.000 -0.020 0.000 1.163 174 Q CA 0.637 56.428 55.803 -0.019 0.000 0.929 174 Q CB -1.496 27.230 28.738 -0.020 0.000 1.334 174 Q HN 0.788 nan 8.270 nan 0.000 0.499 175 N N -0.754 117.934 118.700 -0.019 0.000 2.714 175 N HA -0.210 4.550 4.740 0.033 0.000 0.250 175 N C -0.204 175.293 175.510 -0.023 0.000 1.117 175 N CA 1.967 55.007 53.050 -0.016 0.000 0.719 175 N CB -0.617 37.862 38.487 -0.012 0.000 1.081 175 N HN 0.767 nan 8.380 nan 0.000 0.557 176 R N -1.310 119.170 120.500 -0.034 0.000 2.668 176 R HA 0.443 4.803 4.340 0.033 0.000 0.272 176 R C -1.049 175.204 176.300 -0.079 0.000 1.019 176 R CA -0.630 55.441 56.100 -0.048 0.000 0.894 176 R CB 1.228 31.500 30.300 -0.046 0.000 1.228 176 R HN -0.147 nan 8.270 nan 0.000 0.460 177 V N 3.802 123.638 119.914 -0.129 0.000 2.446 177 V HA 0.135 4.274 4.120 0.033 0.000 0.276 177 V C 0.073 176.077 176.094 -0.150 0.000 1.030 177 V CA -0.029 62.124 62.300 -0.244 0.000 1.033 177 V CB 0.929 32.352 31.823 -0.668 0.000 0.993 177 V HN 0.461 nan 8.190 nan 0.000 0.477 178 V N 4.271 124.079 119.914 -0.177 0.000 2.630 178 V HA 0.780 4.920 4.120 0.033 0.000 0.305 178 V C 0.689 176.548 176.094 -0.391 0.000 1.046 178 V CA -0.382 61.797 62.300 -0.201 0.000 0.934 178 V CB 1.922 33.669 31.823 -0.128 0.000 1.003 178 V HN 0.912 nan 8.190 nan 0.000 0.451 179 G N 1.752 110.175 108.800 -0.628 0.000 2.416 179 G HA2 0.691 4.671 3.960 0.033 0.000 0.324 179 G HA3 0.691 4.671 3.960 0.033 0.000 0.324 179 G C -0.716 173.998 174.900 -0.309 0.000 1.194 179 G CA -0.362 44.359 45.100 -0.631 0.000 0.922 179 G HN 1.108 nan 8.290 nan 0.000 0.467 180 A N 3.015 125.718 122.820 -0.195 0.000 2.330 180 A HA 0.833 5.173 4.320 0.033 0.000 0.313 180 A C -0.177 177.353 177.584 -0.090 0.000 1.124 180 A CA -0.562 51.399 52.037 -0.127 0.000 0.774 180 A CB 0.986 19.935 19.000 -0.085 0.000 1.198 180 A HN 0.660 nan 8.150 nan 0.000 0.465 181 M N 1.599 121.139 119.600 -0.100 0.000 2.530 181 M HA 0.459 4.958 4.480 0.033 0.000 0.307 181 M C -0.504 175.739 176.300 -0.094 0.000 1.161 181 M CA -0.340 54.922 55.300 -0.064 0.000 0.903 181 M CB 2.427 34.988 32.600 -0.064 0.000 1.711 181 M HN 0.798 nan 8.290 nan 0.000 0.451 182 Q N 2.617 122.395 119.800 -0.035 0.000 2.331 182 Q HA 0.603 4.963 4.340 0.033 0.000 0.267 182 Q C -2.061 173.889 176.000 -0.083 0.000 1.006 182 Q CA -0.784 54.979 55.803 -0.067 0.000 0.818 182 Q CB 2.176 30.940 28.738 0.045 0.000 1.276 182 Q HN 0.708 nan 8.270 nan 0.000 0.450 183 L N 5.250 126.392 121.223 -0.134 0.000 2.294 183 L HA 0.431 4.790 4.340 0.033 0.000 0.283 183 L C -1.879 174.926 176.870 -0.108 0.000 1.015 183 L CA -0.442 54.313 54.840 -0.142 0.000 0.831 183 L CB 0.973 42.902 42.059 -0.216 0.000 1.217 183 L HN 0.636 nan 8.230 nan 0.000 0.420 184 Y N 3.595 123.675 120.300 -0.365 0.000 2.360 184 Y HA 0.581 5.163 4.550 0.054 0.000 0.337 184 Y C -0.206 175.422 175.900 -0.454 0.000 1.039 184 Y CA -0.449 57.353 58.100 -0.497 0.000 1.109 184 Y CB 1.830 39.640 38.460 -1.084 0.000 1.201 184 Y HN 0.624 nan 8.280 nan 0.000 0.458 185 S N 5.352 120.265 115.700 -1.310 0.000 2.423 185 S HA 0.283 4.773 4.470 0.033 0.000 0.317 185 S C 0.601 174.299 174.600 -1.504 0.000 1.065 185 S CA -0.640 56.654 58.200 -1.510 0.000 1.111 185 S CB 0.398 62.829 63.200 -1.282 0.000 0.968 185 S HN 0.727 nan 8.310 nan 0.000 0.474 186 V N 4.707 123.978 119.914 -1.072 0.000 2.380 186 V HA -0.155 3.984 4.120 0.033 0.000 0.251 186 V C 1.968 177.814 176.094 -0.414 0.000 1.063 186 V CA 2.151 64.131 62.300 -0.533 0.000 1.055 186 V CB -0.439 31.236 31.823 -0.246 0.000 0.657 186 V HN 0.777 nan 8.190 nan 0.000 0.455 187 D N 0.380 120.492 120.400 -0.480 0.000 2.137 187 D HA -0.104 4.555 4.640 0.033 0.000 0.202 187 D C 2.152 178.308 176.300 -0.239 0.000 0.970 187 D CA 1.285 55.116 54.000 -0.282 0.000 0.837 187 D CB -0.177 40.489 40.800 -0.223 0.000 0.981 187 D HN 0.576 nan 8.370 nan 0.000 0.475 188 R N 0.953 121.258 120.500 -0.326 0.000 2.359 188 R HA 0.176 4.536 4.340 0.033 0.000 0.231 188 R C 0.077 176.257 176.300 -0.201 0.000 0.913 188 R CA -0.240 55.735 56.100 -0.207 0.000 1.075 188 R CB -0.140 30.069 30.300 -0.152 0.000 1.087 188 R HN -0.177 nan 8.270 nan 0.000 0.515 189 K N 0.676 120.903 120.400 -0.289 0.000 3.311 189 K HA -0.150 4.189 4.320 0.033 0.000 0.270 189 K C -1.112 175.492 176.600 0.006 0.000 0.927 189 K CA 0.627 56.860 56.287 -0.090 0.000 0.706 189 K CB -1.300 31.235 32.500 0.060 0.000 1.418 189 K HN 0.154 nan 8.250 nan 0.000 0.459 190 V N 0.144 119.938 119.914 -0.200 0.000 2.888 190 V HA 0.302 4.441 4.120 0.033 0.000 0.309 190 V C -0.003 176.095 176.094 0.007 0.000 1.114 190 V CA -0.860 61.427 62.300 -0.022 0.000 0.940 190 V CB 2.313 34.107 31.823 -0.049 0.000 1.021 190 V HN 0.281 nan 8.190 nan 0.000 0.426 191 S N 2.185 117.966 115.700 0.135 0.000 2.690 191 S HA 0.719 5.209 4.470 0.033 0.000 0.291 191 S C -0.761 173.865 174.600 0.044 0.000 1.138 191 S CA -0.544 57.721 58.200 0.109 0.000 1.013 191 S CB 1.660 64.969 63.200 0.182 0.000 1.053 191 S HN 0.758 nan 8.310 nan 0.000 0.539 192 Q N 1.244 121.023 119.800 -0.034 0.000 2.275 192 Q HA 0.403 4.762 4.340 0.033 0.000 0.258 192 Q C -2.921 172.964 176.000 -0.191 0.000 0.960 192 Q CA -1.853 53.904 55.803 -0.077 0.000 0.801 192 Q CB 1.676 30.391 28.738 -0.039 0.000 1.302 192 Q HN 0.236 nan 8.270 nan 0.000 0.433 193 P HA 0.292 nan 4.420 nan 0.000 0.276 193 P C -0.984 176.184 177.300 -0.220 0.000 1.230 193 P CA 0.151 63.033 63.100 -0.362 0.000 0.776 193 P CB 0.668 32.108 31.700 -0.433 0.000 0.888 194 I N 1.006 121.444 120.570 -0.222 0.000 2.571 194 I HA 0.230 4.419 4.170 0.033 0.000 0.289 194 I C 0.181 176.167 176.117 -0.217 0.000 1.115 194 I CA -0.874 60.280 61.300 -0.244 0.000 1.045 194 I CB 2.397 40.177 38.000 -0.368 0.000 1.238 194 I HN 0.270 nan 8.210 nan 0.000 0.424 195 E N 4.444 124.549 120.200 -0.159 0.000 2.324 195 E HA 0.559 4.929 4.350 0.033 0.000 0.271 195 E C -0.319 176.237 176.600 -0.073 0.000 1.028 195 E CA -0.092 56.245 56.400 -0.105 0.000 0.890 195 E CB 0.994 30.672 29.700 -0.037 0.000 1.004 195 E HN 0.838 nan 8.360 nan 0.000 0.431 196 G N 3.184 111.929 108.800 -0.090 0.000 2.556 196 G HA2 0.121 4.100 3.960 0.033 0.000 0.294 196 G HA3 0.121 4.100 3.960 0.033 0.000 0.294 196 G C -0.578 174.322 174.900 -0.001 0.000 1.516 196 G CA -0.554 44.583 45.100 0.062 0.000 0.824 196 G HN 0.648 nan 8.290 nan 0.000 0.535 197 H N 0.046 119.220 119.070 0.173 0.000 2.481 197 H HA 0.526 5.102 4.556 0.034 0.000 0.291 197 H C 1.119 176.566 175.328 0.198 0.000 1.009 197 H CA 0.922 57.085 56.048 0.191 0.000 1.282 197 H CB 1.531 31.477 29.762 0.306 0.000 1.457 197 H HN 0.738 nan 8.280 nan 0.000 0.525 198 A N 0.660 123.678 122.820 0.330 0.000 2.556 198 A HA 0.778 5.117 4.320 0.033 0.000 0.294 198 A C -1.152 176.547 177.584 0.192 0.000 1.091 198 A CA 0.143 52.320 52.037 0.232 0.000 0.704 198 A CB 2.051 21.166 19.000 0.191 0.000 1.300 198 A HN 0.381 nan 8.150 nan 0.000 0.406 199 A N -0.273 122.642 122.820 0.159 0.000 2.483 199 A HA 0.958 5.298 4.320 0.033 0.000 0.294 199 A C -0.485 177.165 177.584 0.110 0.000 1.077 199 A CA 0.281 52.373 52.037 0.090 0.000 0.633 199 A CB 0.362 19.425 19.000 0.106 0.000 1.318 199 A HN 2.560 nan 8.150 nan 0.000 0.455 200 S N -1.428 114.294 115.700 0.037 0.000 2.615 200 S HA 0.762 5.251 4.470 0.033 0.000 0.268 200 S C -1.794 172.829 174.600 0.039 0.000 1.146 200 S CA -0.487 57.790 58.200 0.127 0.000 0.818 200 S CB 0.475 63.757 63.200 0.138 0.000 1.111 200 S HN 1.116 nan 8.310 nan 0.000 0.465 201 F N 1.191 121.254 119.950 0.189 0.000 2.518 201 F HA 0.934 5.479 4.527 0.031 0.000 0.338 201 F C 0.661 176.518 175.800 0.095 0.000 1.065 201 F CA 0.252 58.352 58.000 0.167 0.000 1.012 201 F CB 2.077 41.170 39.000 0.155 0.000 1.297 201 F HN 0.917 nan 8.300 nan 0.000 0.489 202 A N 0.879 123.857 122.820 0.263 0.000 2.577 202 A HA 0.567 4.907 4.320 0.033 0.000 0.297 202 A C -1.711 175.952 177.584 0.132 0.000 1.060 202 A CA -0.869 51.262 52.037 0.158 0.000 0.697 202 A CB 1.497 20.548 19.000 0.086 0.000 1.281 202 A HN 0.479 nan 8.150 nan 0.000 0.402 203 Q N 0.357 120.236 119.800 0.132 0.000 2.235 203 Q HA 0.679 5.038 4.340 0.033 0.000 0.250 203 Q C -1.640 174.473 176.000 0.188 0.000 0.909 203 Q CA 0.050 55.925 55.803 0.120 0.000 0.910 203 Q CB 1.761 30.551 28.738 0.086 0.000 1.223 203 Q HN 0.662 nan 8.270 nan 0.000 0.432 204 F N 1.179 121.102 119.950 -0.046 0.000 2.722 204 F HA 0.220 4.766 4.527 0.032 0.000 0.336 204 F C -0.776 175.013 175.800 -0.018 0.000 1.216 204 F CA -0.612 57.358 58.000 -0.050 0.000 1.065 204 F CB 1.314 40.230 39.000 -0.140 0.000 1.325 204 F HN 0.302 nan 8.300 nan 0.000 0.524 205 K N 8.151 128.254 120.400 -0.496 0.000 2.231 205 K HA 0.404 4.743 4.320 0.033 0.000 0.275 205 K C -0.345 176.030 176.600 -0.374 0.000 1.105 205 K CA -0.449 55.661 56.287 -0.294 0.000 0.931 205 K CB 0.511 32.893 32.500 -0.197 0.000 1.296 205 K HN 0.769 nan 8.250 nan 0.000 0.446 206 M N 2.769 122.336 119.600 -0.055 0.000 2.250 206 M HA 0.005 4.505 4.480 0.033 0.000 0.337 206 M C 0.601 176.920 176.300 0.030 0.000 1.161 206 M CA 0.459 55.834 55.300 0.125 0.000 1.088 206 M CB 0.360 33.134 32.600 0.289 0.000 1.639 206 M HN 0.407 nan 8.290 nan 0.000 0.447 207 E N 1.430 121.657 120.200 0.045 0.000 2.452 207 E HA 0.019 4.388 4.350 0.033 0.000 0.261 207 E C 1.046 177.669 176.600 0.038 0.000 0.987 207 E CA 1.328 57.742 56.400 0.024 0.000 0.926 207 E CB 0.552 30.275 29.700 0.039 0.000 0.934 207 E HN 0.932 nan 8.360 nan 0.000 0.452 208 G N 3.658 112.471 108.800 0.022 0.000 2.176 208 G HA2 -0.305 3.675 3.960 0.033 0.000 0.253 208 G HA3 -0.305 3.675 3.960 0.033 0.000 0.253 208 G C 0.235 175.153 174.900 0.030 0.000 0.979 208 G CA 0.296 45.412 45.100 0.026 0.000 0.641 208 G HN 0.563 nan 8.290 nan 0.000 0.530 209 N N 0.107 118.824 118.700 0.028 0.000 2.408 209 N HA 0.600 5.360 4.740 0.033 0.000 0.280 209 N C 1.218 176.737 175.510 0.015 0.000 1.002 209 N CA -0.056 53.014 53.050 0.032 0.000 0.907 209 N CB 1.425 39.943 38.487 0.051 0.000 1.161 209 N HN 0.242 nan 8.380 nan 0.000 0.488 210 A N 2.187 125.017 122.820 0.018 0.000 1.897 210 A HA -0.031 4.308 4.320 0.033 0.000 0.215 210 A C 0.660 178.250 177.584 0.010 0.000 1.181 210 A CA 1.230 53.274 52.037 0.011 0.000 0.620 210 A CB 0.081 19.090 19.000 0.015 0.000 0.821 210 A HN 0.570 nan 8.150 nan 0.000 0.443 211 E N 0.772 120.984 120.200 0.020 0.000 2.222 211 E HA 0.378 4.747 4.350 0.033 0.000 0.272 211 E C -0.463 176.151 176.600 0.024 0.000 0.982 211 E CA -0.472 55.941 56.400 0.022 0.000 0.842 211 E CB 0.706 30.426 29.700 0.033 0.000 1.144 211 E HN 0.547 nan 8.360 nan 0.000 0.397 212 E N 0.468 120.680 120.200 0.020 0.000 2.416 212 E HA 0.290 4.660 4.350 0.033 0.000 0.254 212 E C -0.402 176.230 176.600 0.054 0.000 1.241 212 E CA -0.083 56.331 56.400 0.023 0.000 0.969 212 E CB 0.525 30.239 29.700 0.022 0.000 0.999 212 E HN 0.186 nan 8.360 nan 0.000 0.481 213 S N 0.085 115.829 115.700 0.073 0.000 2.526 213 S HA 0.305 4.794 4.470 0.033 0.000 0.293 213 S C -0.733 173.890 174.600 0.038 0.000 1.092 213 S CA -0.803 57.437 58.200 0.067 0.000 0.980 213 S CB 1.929 65.184 63.200 0.092 0.000 1.048 213 S HN 0.347 nan 8.310 nan 0.000 0.483 214 T N 3.620 118.184 114.554 0.016 0.000 2.744 214 T HA 0.510 4.880 4.350 0.033 0.000 0.291 214 T C -0.383 174.297 174.700 -0.032 0.000 0.957 214 T CA -0.348 61.763 62.100 0.019 0.000 1.002 214 T CB 0.019 68.899 68.868 0.020 0.000 0.919 214 T HN 0.330 nan 8.240 nan 0.000 0.468 215 L N 3.187 124.411 121.223 0.003 0.000 2.342 215 L HA 0.677 5.036 4.340 0.033 0.000 0.271 215 L C -0.902 175.999 176.870 0.051 0.000 1.008 215 L CA -1.135 53.657 54.840 -0.080 0.000 0.818 215 L CB 1.643 43.522 42.059 -0.301 0.000 1.296 215 L HN 0.521 nan 8.230 nan 0.000 0.427 216 F N 2.764 122.568 119.950 -0.244 0.000 2.460 216 F HA 0.501 5.049 4.527 0.036 0.000 0.341 216 F C -0.663 175.014 175.800 -0.204 0.000 1.130 216 F CA -1.356 56.367 58.000 -0.462 0.000 0.962 216 F CB 1.287 39.997 39.000 -0.482 0.000 1.171 216 F HN 0.443 nan 8.300 nan 0.000 0.436 217 C N 9.172 128.097 119.300 -0.625 0.000 2.369 217 C HA 0.871 5.350 4.460 0.033 0.000 0.322 217 C C -1.119 173.548 174.990 -0.537 0.000 1.258 217 C CA -0.631 58.079 59.018 -0.512 0.000 1.487 217 C CB -0.718 26.847 27.740 -0.293 0.000 2.165 217 C HN 0.763 nan 8.230 nan 0.000 0.483 218 F N 4.024 123.612 119.950 -0.604 0.000 2.599 218 F HA 0.892 5.441 4.527 0.036 0.000 0.311 218 F C -0.391 175.315 175.800 -0.156 0.000 1.076 218 F CA -0.783 56.984 58.000 -0.388 0.000 0.937 218 F CB 1.146 39.874 39.000 -0.454 0.000 1.282 218 F HN 0.781 nan 8.300 nan 0.000 0.460 219 A N 2.151 125.007 122.820 0.061 0.000 2.337 219 A HA 0.849 5.188 4.320 0.033 0.000 0.329 219 A C -1.531 176.223 177.584 0.285 0.000 1.146 219 A CA -0.904 51.158 52.037 0.041 0.000 0.800 219 A CB 1.694 20.698 19.000 0.006 0.000 1.220 219 A HN 1.503 nan 8.150 nan 0.000 0.472 220 V N 2.495 122.577 119.914 0.280 0.000 2.891 220 V HA 0.621 4.761 4.120 0.033 0.000 0.304 220 V C -0.760 175.523 176.094 0.315 0.000 1.171 220 V CA -0.679 61.874 62.300 0.422 0.000 0.943 220 V CB 1.959 34.039 31.823 0.427 0.000 1.037 220 V HN 0.968 nan 8.190 nan 0.000 0.427 221 R N 4.506 125.163 120.500 0.262 0.000 2.471 221 R HA 0.575 4.934 4.340 0.033 0.000 0.292 221 R C 0.435 176.808 176.300 0.122 0.000 1.192 221 R CA 0.372 56.505 56.100 0.056 0.000 1.257 221 R CB 0.724 30.814 30.300 -0.349 0.000 1.130 221 R HN 0.974 nan 8.270 nan 0.000 0.558 222 G N 0.896 109.776 108.800 0.132 0.000 2.666 222 G HA2 -0.086 3.893 3.960 0.033 0.000 0.207 222 G HA3 -0.086 3.893 3.960 0.033 0.000 0.207 222 G C 0.344 175.270 174.900 0.043 0.000 1.481 222 G CA -0.187 44.972 45.100 0.099 0.000 1.071 222 G HN 0.523 nan 8.290 nan 0.000 0.572 223 Q N -1.086 118.737 119.800 0.038 0.000 2.212 223 Q HA 0.250 4.610 4.340 0.033 0.000 0.199 223 Q C 2.152 178.166 176.000 0.023 0.000 0.950 223 Q CA 1.081 56.895 55.803 0.018 0.000 0.863 223 Q CB -0.043 28.705 28.738 0.017 0.000 0.944 223 Q HN 0.482 nan 8.270 nan 0.000 0.465 224 A N -0.015 122.830 122.820 0.043 0.000 2.503 224 A HA 0.514 4.854 4.320 0.033 0.000 0.263 224 A C 0.813 178.433 177.584 0.059 0.000 1.360 224 A CA 0.455 52.522 52.037 0.049 0.000 0.969 224 A CB -1.264 17.772 19.000 0.060 0.000 1.000 224 A HN 0.408 nan 8.150 nan 0.000 0.530 225 G N -0.633 108.192 108.800 0.042 0.000 2.641 225 G HA2 0.122 4.102 3.960 0.033 0.000 0.254 225 G HA3 0.122 4.102 3.960 0.033 0.000 0.254 225 G C 0.563 175.533 174.900 0.116 0.000 1.315 225 G CA -0.275 44.856 45.100 0.051 0.000 0.907 225 G HN 1.585 nan 8.290 nan 0.000 0.572 226 G N -0.107 108.835 108.800 0.237 0.000 2.365 226 G HA2 0.513 4.493 3.960 0.033 0.000 0.249 226 G HA3 0.513 4.493 3.960 0.033 0.000 0.249 226 G C -0.119 174.888 174.900 0.178 0.000 1.288 226 G CA 0.474 45.781 45.100 0.345 0.000 0.887 226 G HN 0.589 nan 8.290 nan 0.000 0.524 227 K N 0.738 121.208 120.400 0.117 0.000 2.509 227 K HA 0.584 4.923 4.320 0.033 0.000 0.266 227 K C -1.377 175.121 176.600 -0.169 0.000 0.987 227 K CA -0.829 55.431 56.287 -0.044 0.000 0.868 227 K CB 2.738 35.250 32.500 0.020 0.000 1.421 227 K HN 0.439 nan 8.250 nan 0.000 0.444 228 L N 1.581 122.537 121.223 -0.445 0.000 2.516 228 L HA 0.437 4.797 4.340 0.033 0.000 0.267 228 L C -1.203 175.202 176.870 -0.774 0.000 0.957 228 L CA -0.388 54.115 54.840 -0.562 0.000 0.860 228 L CB 1.343 43.005 42.059 -0.661 0.000 1.265 228 L HN 0.615 nan 8.230 nan 0.000 0.403 229 H N 5.486 124.029 119.070 -0.879 0.000 2.573 229 H HA 0.624 5.200 4.556 0.034 0.000 0.351 229 H C -1.013 173.987 175.328 -0.547 0.000 1.163 229 H CA -0.778 54.847 56.048 -0.705 0.000 1.205 229 H CB 2.752 31.997 29.762 -0.862 0.000 1.605 229 H HN 0.456 nan 8.280 nan 0.000 0.525 230 I N 3.538 124.008 120.570 -0.168 0.000 2.500 230 I HA 0.282 4.471 4.170 0.033 0.000 0.286 230 I C -0.377 175.806 176.117 0.110 0.000 1.063 230 I CA -0.475 60.779 61.300 -0.077 0.000 1.062 230 I CB 1.804 39.799 38.000 -0.009 0.000 1.223 230 I HN 0.429 nan 8.210 nan 0.000 0.435 231 I N 1.545 122.169 120.570 0.090 0.000 2.969 231 I HA 0.607 4.797 4.170 0.033 0.000 0.307 231 I C -0.885 175.299 176.117 0.111 0.000 1.149 231 I CA -0.738 60.670 61.300 0.180 0.000 1.008 231 I CB 2.351 40.447 38.000 0.159 0.000 1.232 231 I HN 0.517 nan 8.210 nan 0.000 0.435 232 E N 3.036 123.325 120.200 0.148 0.000 2.249 232 E HA 0.487 4.857 4.350 0.033 0.000 0.280 232 E C -0.964 175.593 176.600 -0.073 0.000 1.016 232 E CA -0.877 55.540 56.400 0.029 0.000 0.830 232 E CB 1.781 31.553 29.700 0.120 0.000 1.081 232 E HN 0.617 nan 8.360 nan 0.000 0.395 233 V N 1.832 121.599 119.914 -0.245 0.000 2.427 233 V HA 0.829 4.969 4.120 0.033 0.000 0.286 233 V C 0.492 176.242 176.094 -0.574 0.000 1.034 233 V CA 0.268 62.192 62.300 -0.626 0.000 0.893 233 V CB 0.417 31.474 31.823 -1.276 0.000 0.982 233 V HN 0.968 nan 8.190 nan 0.000 0.452 234 G N 3.512 112.104 108.800 -0.346 0.000 2.855 234 G HA2 -0.159 3.820 3.960 0.033 0.000 0.352 234 G HA3 -0.159 3.820 3.960 0.033 0.000 0.352 234 G C -0.120 174.835 174.900 0.091 0.000 1.415 234 G CA -0.322 44.846 45.100 0.113 0.000 0.871 234 G HN 1.359 nan 8.290 nan 0.000 0.543 235 T N 3.375 118.013 114.554 0.140 0.000 2.829 235 T HA 0.424 4.794 4.350 0.033 0.000 0.293 235 T C -1.519 173.233 174.700 0.088 0.000 0.970 235 T CA 0.365 62.524 62.100 0.098 0.000 1.168 235 T CB 0.539 69.463 68.868 0.094 0.000 0.911 235 T HN 0.581 nan 8.240 nan 0.000 0.535 236 P HA 0.204 nan 4.420 nan 0.000 0.269 236 P C -2.380 174.961 177.300 0.069 0.000 1.209 236 P CA -1.222 61.922 63.100 0.074 0.000 0.776 236 P CB -0.242 31.503 31.700 0.076 0.000 0.876 237 P HA -0.025 nan 4.420 nan 0.000 0.265 237 P C -0.242 177.088 177.300 0.050 0.000 1.187 237 P CA 0.515 63.650 63.100 0.058 0.000 0.766 237 P CB -0.061 31.671 31.700 0.054 0.000 0.820 238 T N 2.442 117.022 114.554 0.044 0.000 2.923 238 T HA 0.213 4.582 4.350 0.033 0.000 0.304 238 T C 1.508 176.230 174.700 0.036 0.000 1.044 238 T CA 1.513 63.636 62.100 0.038 0.000 1.141 238 T CB -0.385 68.502 68.868 0.032 0.000 1.023 238 T HN 0.832 nan 8.240 nan 0.000 0.533 239 G N 3.080 111.901 108.800 0.035 0.000 2.234 239 G HA2 -0.282 3.698 3.960 0.033 0.000 0.260 239 G HA3 -0.282 3.698 3.960 0.033 0.000 0.260 239 G C 0.425 175.348 174.900 0.038 0.000 0.987 239 G CA 0.129 45.248 45.100 0.033 0.000 0.625 239 G HN 0.660 nan 8.290 nan 0.000 0.532 240 N N 0.364 119.092 118.700 0.045 0.000 2.374 240 N HA 0.611 5.371 4.740 0.033 0.000 0.284 240 N C 0.460 176.006 175.510 0.060 0.000 1.280 240 N CA 0.100 53.183 53.050 0.055 0.000 0.963 240 N CB 0.236 38.761 38.487 0.065 0.000 1.141 240 N HN 0.459 nan 8.380 nan 0.000 0.565 241 Q N -0.530 119.316 119.800 0.077 0.000 2.421 241 Q HA 0.474 4.833 4.340 0.033 0.000 0.280 241 Q C -2.519 173.546 176.000 0.110 0.000 1.085 241 Q CA -1.648 54.203 55.803 0.081 0.000 0.807 241 Q CB 1.878 30.660 28.738 0.073 0.000 1.405 241 Q HN 0.336 nan 8.270 nan 0.000 0.419 242 P HA -0.025 nan 4.420 nan 0.000 0.267 242 P C -1.042 176.362 177.300 0.173 0.000 1.201 242 P CA 0.330 63.497 63.100 0.113 0.000 0.775 242 P CB 0.258 31.997 31.700 0.065 0.000 0.854 243 F N 3.778 123.747 119.950 0.033 0.000 2.388 243 F HA 0.431 4.978 4.527 0.033 0.000 0.358 243 F C -2.231 173.571 175.800 0.004 0.000 1.122 243 F CA -2.901 55.115 58.000 0.028 0.000 1.056 243 F CB 0.721 39.736 39.000 0.024 0.000 1.155 243 F HN 0.176 nan 8.300 nan 0.000 0.461 244 P HA -0.055 nan 4.420 nan 0.000 0.262 244 P C -1.088 175.972 177.300 -0.400 0.000 1.182 244 P CA 0.126 62.990 63.100 -0.394 0.000 0.761 244 P CB 0.316 31.795 31.700 -0.368 0.000 0.795 245 K N 2.329 122.652 120.400 -0.129 0.000 2.382 245 K HA 0.276 4.616 4.320 0.033 0.000 0.275 245 K C -0.303 176.238 176.600 -0.097 0.000 1.009 245 K CA -0.195 56.075 56.287 -0.028 0.000 0.970 245 K CB 0.470 32.993 32.500 0.039 0.000 0.934 245 K HN 0.094 nan 8.250 nan 0.000 0.479 246 K N 0.936 121.298 120.400 -0.064 0.000 2.259 246 K HA 0.632 4.972 4.320 0.033 0.000 0.249 246 K C -1.375 175.130 176.600 -0.160 0.000 0.942 246 K CA -0.627 55.590 56.287 -0.116 0.000 0.816 246 K CB 2.283 34.719 32.500 -0.106 0.000 1.155 246 K HN 0.819 nan 8.250 nan 0.000 0.428 247 A N 0.952 123.645 122.820 -0.211 0.000 2.520 247 A HA 0.778 5.117 4.320 0.033 0.000 0.298 247 A C -1.413 176.004 177.584 -0.277 0.000 1.051 247 A CA -0.714 51.090 52.037 -0.387 0.000 0.690 247 A CB 1.249 20.031 19.000 -0.363 0.000 1.281 247 A HN 0.744 nan 8.150 nan 0.000 0.402 248 V N -0.427 119.296 119.914 -0.319 0.000 2.950 248 V HA 0.663 4.802 4.120 0.033 0.000 0.295 248 V C -1.299 174.706 176.094 -0.147 0.000 1.297 248 V CA -1.113 61.092 62.300 -0.159 0.000 0.962 248 V CB 1.504 33.287 31.823 -0.066 0.000 1.081 248 V HN 0.941 nan 8.190 nan 0.000 0.432 249 D N 3.023 123.401 120.400 -0.037 0.000 2.344 249 D HA 0.491 5.150 4.640 0.033 0.000 0.244 249 D C 0.305 176.673 176.300 0.113 0.000 1.134 249 D CA -0.112 53.902 54.000 0.024 0.000 0.930 249 D CB 1.790 42.636 40.800 0.077 0.000 1.175 249 D HN 1.135 nan 8.370 nan 0.000 0.437 250 V N 0.227 120.232 119.914 0.151 0.000 2.459 250 V HA 0.546 4.686 4.120 0.033 0.000 0.295 250 V C -0.893 175.322 176.094 0.202 0.000 1.029 250 V CA -1.087 61.350 62.300 0.229 0.000 0.874 250 V CB 0.986 32.870 31.823 0.102 0.000 0.985 250 V HN 0.490 nan 8.190 nan 0.000 0.438 251 F N 6.660 126.612 119.950 0.003 0.000 2.406 251 F HA 0.698 5.245 4.527 0.033 0.000 0.327 251 F C -0.815 174.809 175.800 -0.293 0.000 1.153 251 F CA -0.822 57.132 58.000 -0.076 0.000 1.218 251 F CB 0.993 39.893 39.000 -0.167 0.000 1.215 251 F HN 0.539 nan 8.300 nan 0.000 0.570 252 F N 5.321 124.619 119.950 -1.085 0.000 3.164 252 F HA 0.282 4.829 4.527 0.032 0.000 0.375 252 F C -2.151 172.938 175.800 -1.186 0.000 1.257 252 F CA -1.652 55.865 58.000 -0.805 0.000 1.171 252 F CB 0.857 39.668 39.000 -0.315 0.000 1.588 252 F HN 0.325 nan 8.300 nan 0.000 0.604 253 P HA 0.027 nan 4.420 nan 0.000 0.270 253 P C -2.392 174.793 177.300 -0.192 0.000 1.221 253 P CA -0.809 61.984 63.100 -0.511 0.000 0.788 253 P CB 0.687 32.294 31.700 -0.154 0.000 0.904 254 P HA -0.145 nan 4.420 nan 0.000 0.222 254 P C 1.076 178.369 177.300 -0.012 0.000 1.147 254 P CA 1.483 64.567 63.100 -0.027 0.000 0.790 254 P CB 0.022 31.726 31.700 0.006 0.000 0.780 255 E N 0.148 120.353 120.200 0.008 0.000 2.107 255 E HA -0.016 4.354 4.350 0.033 0.000 0.191 255 E C 1.352 177.956 176.600 0.006 0.000 0.982 255 E CA 0.803 57.214 56.400 0.018 0.000 0.809 255 E CB -1.153 28.577 29.700 0.050 0.000 0.756 255 E HN 0.095 nan 8.360 nan 0.000 0.459 256 A N 1.488 124.341 122.820 0.055 0.000 3.063 256 A HA 0.067 4.406 4.320 0.033 0.000 0.263 256 A C 1.074 178.663 177.584 0.007 0.000 1.736 256 A CA -0.098 51.984 52.037 0.075 0.000 1.408 256 A CB -0.442 18.791 19.000 0.388 0.000 1.108 256 A HN 0.126 nan 8.150 nan 0.000 0.621 257 Q N 0.663 120.427 119.800 -0.060 0.000 2.123 257 Q HA -0.144 4.216 4.340 0.033 0.000 0.199 257 Q C 0.670 176.613 176.000 -0.095 0.000 0.966 257 Q CA 1.660 57.420 55.803 -0.073 0.000 0.845 257 Q CB 0.031 28.734 28.738 -0.059 0.000 0.907 257 Q HN 0.958 nan 8.270 nan 0.000 0.439 258 N N -0.236 118.410 118.700 -0.089 0.000 2.389 258 N HA 0.086 4.846 4.740 0.033 0.000 0.260 258 N C -1.238 174.336 175.510 0.107 0.000 1.191 258 N CA -0.237 52.800 53.050 -0.021 0.000 0.885 258 N CB 0.477 38.971 38.487 0.012 0.000 1.162 258 N HN 0.011 nan 8.380 nan 0.000 0.512 259 D N 0.364 120.792 120.400 0.046 0.000 2.283 259 D HA 0.508 5.167 4.640 0.033 0.000 0.248 259 D C -0.565 175.889 176.300 0.257 0.000 1.072 259 D CA -0.542 53.601 54.000 0.238 0.000 0.929 259 D CB 0.773 41.741 40.800 0.280 0.000 1.182 259 D HN 0.205 nan 8.370 nan 0.000 0.433 260 F N -1.364 118.698 119.950 0.187 0.000 2.741 260 F HA 0.624 5.171 4.527 0.033 0.000 0.313 260 F C -2.965 172.917 175.800 0.136 0.000 1.153 260 F CA -2.592 55.399 58.000 -0.014 0.000 0.931 260 F CB 0.432 39.169 39.000 -0.438 0.000 1.335 260 F HN 0.065 nan 8.300 nan 0.000 0.460 261 P HA 0.209 nan 4.420 nan 0.000 0.271 261 P C 0.368 177.720 177.300 0.087 0.000 1.220 261 P CA -0.075 63.076 63.100 0.085 0.000 0.768 261 P CB 1.318 33.114 31.700 0.160 0.000 0.848 262 V N 0.220 120.123 119.914 -0.020 0.000 3.398 262 V HA 0.780 4.920 4.120 0.033 0.000 0.298 262 V C 0.104 176.245 176.094 0.078 0.000 1.496 262 V CA 0.134 62.450 62.300 0.027 0.000 1.044 262 V CB -0.278 31.474 31.823 -0.118 0.000 0.880 262 V HN 0.549 nan 8.190 nan 0.000 0.443 263 A N 0.662 123.530 122.820 0.080 0.000 2.599 263 A HA 0.832 5.172 4.320 0.033 0.000 0.294 263 A C -1.232 176.418 177.584 0.110 0.000 1.055 263 A CA -0.166 51.932 52.037 0.101 0.000 0.683 263 A CB 1.909 20.952 19.000 0.073 0.000 1.278 263 A HN 0.633 nan 8.150 nan 0.000 0.412 264 M N 2.186 121.863 119.600 0.129 0.000 2.272 264 M HA 0.339 4.839 4.480 0.033 0.000 0.240 264 M C -1.932 174.461 176.300 0.154 0.000 0.991 264 M CA -0.354 55.029 55.300 0.138 0.000 1.008 264 M CB 1.581 34.245 32.600 0.106 0.000 2.221 264 M HN 0.761 nan 8.290 nan 0.000 0.469 265 Q N 3.997 123.909 119.800 0.188 0.000 2.306 265 Q HA 0.666 5.026 4.340 0.033 0.000 0.265 265 Q C -1.067 175.099 176.000 0.276 0.000 1.022 265 Q CA -0.339 55.571 55.803 0.178 0.000 0.853 265 Q CB 2.825 31.613 28.738 0.084 0.000 1.327 265 Q HN 0.821 nan 8.270 nan 0.000 0.449 266 I N 0.815 121.522 120.570 0.228 0.000 2.410 266 I HA 0.184 4.373 4.170 0.033 0.000 0.286 266 I C -0.121 176.133 176.117 0.229 0.000 1.009 266 I CA -0.617 60.827 61.300 0.241 0.000 1.111 266 I CB 1.980 40.071 38.000 0.153 0.000 1.262 266 I HN 0.379 nan 8.210 nan 0.000 0.443 267 S N 4.351 120.237 115.700 0.309 0.000 2.422 267 S HA 0.136 4.625 4.470 0.033 0.000 0.283 267 S C 0.867 175.553 174.600 0.143 0.000 1.163 267 S CA -0.293 58.041 58.200 0.223 0.000 1.054 267 S CB 0.616 64.024 63.200 0.348 0.000 0.967 267 S HN 0.631 nan 8.310 nan 0.000 0.499 268 E N 3.707 123.959 120.200 0.088 0.000 2.418 268 E HA 0.012 4.381 4.350 0.033 0.000 0.197 268 E C 1.768 178.385 176.600 0.028 0.000 1.026 268 E CA 0.697 57.147 56.400 0.084 0.000 0.862 268 E CB 0.122 29.861 29.700 0.065 0.000 0.799 268 E HN 0.736 nan 8.360 nan 0.000 0.518 269 K N -0.917 119.439 120.400 -0.074 0.000 2.116 269 K HA -0.085 4.255 4.320 0.033 0.000 0.203 269 K C 0.839 177.308 176.600 -0.217 0.000 1.052 269 K CA 1.224 57.374 56.287 -0.229 0.000 0.952 269 K CB 0.073 32.282 32.500 -0.485 0.000 0.729 269 K HN 0.330 nan 8.250 nan 0.000 0.446 270 H N -0.811 118.333 119.070 0.122 0.000 2.986 270 H HA 0.141 4.717 4.556 0.033 0.000 0.267 270 H C -0.672 174.730 175.328 0.122 0.000 1.072 270 H CA -0.184 55.930 56.048 0.111 0.000 1.202 270 H CB 0.925 30.755 29.762 0.113 0.000 1.535 270 H HN 0.158 nan 8.280 nan 0.000 0.522 271 D N 1.467 122.005 120.400 0.231 0.000 2.705 271 D HA -0.131 4.529 4.640 0.033 0.000 0.240 271 D C -0.442 175.953 176.300 0.158 0.000 1.137 271 D CA 0.976 55.114 54.000 0.231 0.000 0.677 271 D CB -1.239 39.767 40.800 0.342 0.000 1.049 271 D HN 0.344 nan 8.370 nan 0.000 0.427 272 V N -3.731 116.269 119.914 0.143 0.000 3.001 272 V HA 0.818 4.957 4.120 0.033 0.000 0.314 272 V C 0.058 176.176 176.094 0.040 0.000 1.099 272 V CA -0.867 61.455 62.300 0.037 0.000 0.989 272 V CB 2.967 34.730 31.823 -0.100 0.000 1.040 272 V HN -0.120 nan 8.190 nan 0.000 0.434 273 V N 3.110 123.023 119.914 -0.000 0.000 2.334 273 V HA 0.502 4.642 4.120 0.033 0.000 0.281 273 V C -0.640 175.502 176.094 0.079 0.000 1.016 273 V CA -0.172 62.183 62.300 0.091 0.000 0.832 273 V CB 0.762 32.634 31.823 0.081 0.000 0.999 273 V HN 0.732 nan 8.190 nan 0.000 0.439 274 F N 5.368 125.405 119.950 0.145 0.000 2.420 274 F HA 0.617 5.163 4.527 0.032 0.000 0.352 274 F C -0.060 175.817 175.800 0.129 0.000 1.108 274 F CA -0.532 57.556 58.000 0.147 0.000 1.162 274 F CB 1.308 40.378 39.000 0.118 0.000 1.118 274 F HN 0.324 nan 8.300 nan 0.000 0.510 275 L N 5.549 126.949 121.223 0.295 0.000 2.376 275 L HA 0.633 4.992 4.340 0.033 0.000 0.275 275 L C -1.074 175.858 176.870 0.104 0.000 0.987 275 L CA -0.285 54.646 54.840 0.152 0.000 0.828 275 L CB 1.034 43.139 42.059 0.077 0.000 1.249 275 L HN 0.483 nan 8.230 nan 0.000 0.409 276 I N 3.269 123.881 120.570 0.070 0.000 2.493 276 I HA 0.507 4.697 4.170 0.033 0.000 0.298 276 I C 0.305 176.406 176.117 -0.027 0.000 0.998 276 I CA -0.617 60.711 61.300 0.048 0.000 1.137 276 I CB 2.325 40.355 38.000 0.050 0.000 1.310 276 I HN 0.694 nan 8.210 nan 0.000 0.445 277 T N 0.786 115.320 114.554 -0.034 0.000 2.936 277 T HA 0.275 4.645 4.350 0.033 0.000 0.282 277 T C 0.909 175.487 174.700 -0.203 0.000 1.003 277 T CA -0.687 61.361 62.100 -0.086 0.000 1.005 277 T CB 1.815 70.727 68.868 0.073 0.000 1.097 277 T HN 0.723 nan 8.240 nan 0.000 0.532 278 K N -0.200 119.951 120.400 -0.414 0.000 2.113 278 K HA -0.158 4.182 4.320 0.033 0.000 0.208 278 K C 0.621 176.903 176.600 -0.530 0.000 1.047 278 K CA 1.629 57.576 56.287 -0.566 0.000 0.928 278 K CB -0.334 31.613 32.500 -0.923 0.000 0.716 278 K HN 0.743 nan 8.250 nan 0.000 0.446 279 Y N -0.464 119.661 120.300 -0.291 0.000 2.583 279 Y HA 0.255 4.824 4.550 0.033 0.000 0.294 279 Y C 1.024 176.666 175.900 -0.430 0.000 1.170 279 Y CA 0.231 58.145 58.100 -0.310 0.000 1.265 279 Y CB 0.943 39.225 38.460 -0.296 0.000 1.119 279 Y HN 0.335 nan 8.280 nan 0.000 0.522 280 G N -1.188 107.463 108.800 -0.249 0.000 2.148 280 G HA2 -0.265 3.714 3.960 0.033 0.000 0.203 280 G HA3 -0.265 3.714 3.960 0.033 0.000 0.203 280 G C -0.272 174.557 174.900 -0.119 0.000 0.993 280 G CA -0.679 44.309 45.100 -0.187 0.000 0.661 280 G HN 0.408 nan 8.290 nan 0.000 0.518 281 Y N -0.653 119.694 120.300 0.078 0.000 2.308 281 Y HA 0.659 5.229 4.550 0.033 0.000 0.329 281 Y C 0.425 176.419 175.900 0.156 0.000 1.111 281 Y CA -1.304 56.860 58.100 0.107 0.000 1.179 281 Y CB 1.502 40.043 38.460 0.134 0.000 1.201 281 Y HN 0.163 nan 8.280 nan 0.000 0.483 282 I N 3.610 124.407 120.570 0.379 0.000 2.474 282 I HA 0.356 4.545 4.170 0.033 0.000 0.294 282 I C -0.966 175.379 176.117 0.379 0.000 1.005 282 I CA -0.847 60.655 61.300 0.336 0.000 1.113 282 I CB 0.807 38.975 38.000 0.279 0.000 1.289 282 I HN 0.595 nan 8.210 nan 0.000 0.436 283 H N 6.968 126.079 119.070 0.069 0.000 2.717 283 H HA 0.516 5.092 4.556 0.034 0.000 0.366 283 H C -1.380 173.898 175.328 -0.083 0.000 1.132 283 H CA -1.186 54.824 56.048 -0.064 0.000 1.180 283 H CB 2.310 32.120 29.762 0.079 0.000 1.678 283 H HN 0.283 nan 8.280 nan 0.000 0.537 284 L N 3.504 124.607 121.223 -0.199 0.000 2.333 284 L HA 0.377 4.736 4.340 0.033 0.000 0.280 284 L C -1.182 175.458 176.870 -0.382 0.000 1.004 284 L CA -0.410 54.283 54.840 -0.244 0.000 0.820 284 L CB 0.797 42.736 42.059 -0.200 0.000 1.247 284 L HN 0.661 nan 8.230 nan 0.000 0.416 285 Y N 0.624 120.861 120.300 -0.105 0.000 2.512 285 Y HA 0.258 4.828 4.550 0.034 0.000 0.348 285 Y C 0.056 175.909 175.900 -0.077 0.000 0.990 285 Y CA -1.201 56.857 58.100 -0.070 0.000 1.033 285 Y CB 1.830 40.255 38.460 -0.059 0.000 1.259 285 Y HN 0.526 nan 8.280 nan 0.000 0.461 286 D N 1.727 122.187 120.400 0.099 0.000 2.348 286 D HA 0.057 4.717 4.640 0.033 0.000 0.253 286 D C 0.680 177.004 176.300 0.039 0.000 1.161 286 D CA -0.077 53.956 54.000 0.054 0.000 0.876 286 D CB 1.295 42.122 40.800 0.045 0.000 1.160 286 D HN 0.549 nan 8.370 nan 0.000 0.459 287 L N 3.944 125.170 121.223 0.005 0.000 2.083 287 L HA -0.053 4.307 4.340 0.033 0.000 0.209 287 L C 1.912 178.696 176.870 -0.144 0.000 1.083 287 L CA 1.862 56.650 54.840 -0.086 0.000 0.752 287 L CB -0.528 41.456 42.059 -0.126 0.000 0.899 287 L HN 0.731 nan 8.230 nan 0.000 0.433 288 E N -1.247 118.875 120.200 -0.130 0.000 2.047 288 E HA -0.207 4.163 4.350 0.033 0.000 0.191 288 E C 1.756 178.374 176.600 0.029 0.000 0.987 288 E CA 1.806 58.162 56.400 -0.073 0.000 0.799 288 E CB -0.055 29.686 29.700 0.069 0.000 0.752 288 E HN 0.646 nan 8.360 nan 0.000 0.449 289 T N -4.350 110.211 114.554 0.011 0.000 2.990 289 T HA 0.306 4.676 4.350 0.033 0.000 0.250 289 T C 1.403 176.094 174.700 -0.016 0.000 1.041 289 T CA 0.543 62.632 62.100 -0.018 0.000 1.010 289 T CB 0.787 69.652 68.868 -0.006 0.000 1.003 289 T HN 0.356 nan 8.240 nan 0.000 0.499 290 G N 1.436 110.245 108.800 0.015 0.000 2.148 290 G HA2 -0.240 3.740 3.960 0.033 0.000 0.254 290 G HA3 -0.240 3.740 3.960 0.033 0.000 0.254 290 G C 0.128 175.100 174.900 0.121 0.000 0.981 290 G CA 0.211 45.331 45.100 0.032 0.000 0.670 290 G HN 0.704 nan 8.290 nan 0.000 0.528 291 T N 0.748 115.349 114.554 0.078 0.000 2.769 291 T HA 0.303 4.673 4.350 0.033 0.000 0.293 291 T C 0.951 175.673 174.700 0.038 0.000 0.931 291 T CA 0.446 62.578 62.100 0.053 0.000 1.139 291 T CB 1.019 69.894 68.868 0.012 0.000 0.881 291 T HN 0.723 nan 8.240 nan 0.000 0.532 292 C N 6.688 125.979 119.300 -0.014 0.000 2.667 292 C HA 0.208 4.688 4.460 0.033 0.000 0.392 292 C C 1.841 176.688 174.990 -0.239 0.000 1.332 292 C CA -0.597 58.213 59.018 -0.347 0.000 1.594 292 C CB -2.490 25.014 27.740 -0.393 0.000 2.345 292 C HN 0.932 nan 8.230 nan 0.000 0.594 293 I N 4.122 124.562 120.570 -0.217 0.000 2.206 293 I HA 0.052 4.242 4.170 0.033 0.000 0.239 293 I C 0.595 176.736 176.117 0.040 0.000 1.078 293 I CA 1.184 62.451 61.300 -0.055 0.000 1.367 293 I CB -0.291 37.678 38.000 -0.051 0.000 1.078 293 I HN 0.706 nan 8.210 nan 0.000 0.413 294 Y N -0.067 120.089 120.300 -0.241 0.000 2.638 294 Y HA 0.677 5.246 4.550 0.033 0.000 0.339 294 Y C -0.890 174.829 175.900 -0.301 0.000 1.084 294 Y CA -1.668 56.302 58.100 -0.217 0.000 1.068 294 Y CB 1.872 40.170 38.460 -0.269 0.000 1.294 294 Y HN -0.147 nan 8.280 nan 0.000 0.480 295 M N 5.384 124.274 119.600 -1.184 0.000 2.437 295 M HA 0.222 4.722 4.480 0.033 0.000 0.203 295 M C -2.493 173.278 176.300 -0.883 0.000 0.957 295 M CA 0.184 54.934 55.300 -0.917 0.000 0.872 295 M CB 0.885 32.989 32.600 -0.826 0.000 2.556 295 M HN 1.027 nan 8.290 nan 0.000 0.428 296 N N 2.539 120.896 118.700 -0.572 0.000 3.522 296 N HA 0.537 5.297 4.740 0.033 0.000 0.328 296 N C -1.622 173.904 175.510 0.026 0.000 1.623 296 N CA -0.615 52.261 53.050 -0.289 0.000 0.812 296 N CB 2.129 40.466 38.487 -0.250 0.000 2.008 296 N HN 0.734 nan 8.380 nan 0.000 0.601 297 R N 1.614 122.178 120.500 0.105 0.000 2.360 297 R HA 0.389 4.749 4.340 0.033 0.000 0.318 297 R C 0.693 177.021 176.300 0.048 0.000 0.950 297 R CA -0.282 55.940 56.100 0.205 0.000 0.837 297 R CB 0.588 31.065 30.300 0.295 0.000 1.165 297 R HN 0.593 nan 8.270 nan 0.000 0.458 298 I N -0.365 120.232 120.570 0.044 0.000 4.018 298 I HA 0.344 4.533 4.170 0.033 0.000 0.337 298 I C -0.187 175.930 176.117 0.001 0.000 1.327 298 I CA -0.147 61.122 61.300 -0.051 0.000 1.100 298 I CB 0.944 39.045 38.000 0.169 0.000 1.025 298 I HN 0.281 nan 8.210 nan 0.000 0.396 299 S N 0.087 115.787 115.700 -0.000 0.000 2.562 299 S HA 0.584 5.074 4.470 0.033 0.000 0.274 299 S C 0.472 175.058 174.600 -0.023 0.000 1.160 299 S CA -0.097 58.107 58.200 0.007 0.000 0.933 299 S CB 1.549 64.760 63.200 0.018 0.000 1.100 299 S HN 0.347 nan 8.310 nan 0.000 0.468 300 G N 2.161 110.959 108.800 -0.002 0.000 2.603 300 G HA2 0.143 4.123 3.960 0.033 0.000 0.214 300 G HA3 0.143 4.123 3.960 0.033 0.000 0.214 300 G C 0.294 175.206 174.900 0.019 0.000 1.140 300 G CA 0.223 45.327 45.100 0.007 0.000 0.800 300 G HN 0.577 nan 8.290 nan 0.000 0.533 301 E N 1.299 121.506 120.200 0.013 0.000 2.283 301 E HA 0.288 4.657 4.350 0.033 0.000 0.271 301 E C 0.152 176.729 176.600 -0.038 0.000 1.031 301 E CA -0.161 56.246 56.400 0.012 0.000 0.868 301 E CB 1.242 30.960 29.700 0.030 0.000 1.094 301 E HN 0.175 nan 8.360 nan 0.000 0.401 302 T N 0.277 114.785 114.554 -0.078 0.000 2.926 302 T HA 0.352 4.721 4.350 0.033 0.000 0.307 302 T C 0.869 175.503 174.700 -0.110 0.000 1.059 302 T CA -0.302 61.675 62.100 -0.206 0.000 1.122 302 T CB 0.415 69.080 68.868 -0.338 0.000 0.972 302 T HN 0.271 nan 8.240 nan 0.000 0.545 303 I N 3.016 123.487 120.570 -0.165 0.000 2.354 303 I HA 0.299 4.489 4.170 0.033 0.000 0.292 303 I C 0.296 176.357 176.117 -0.093 0.000 0.989 303 I CA -0.847 60.354 61.300 -0.164 0.000 1.188 303 I CB 1.243 39.151 38.000 -0.154 0.000 1.342 303 I HN 0.846 nan 8.210 nan 0.000 0.457 304 F N 5.922 125.866 119.950 -0.009 0.000 2.706 304 F HA 0.579 5.125 4.527 0.032 0.000 0.313 304 F C -0.304 175.589 175.800 0.155 0.000 1.096 304 F CA -0.547 57.482 58.000 0.049 0.000 1.219 304 F CB 0.131 39.199 39.000 0.112 0.000 1.051 304 F HN 0.147 nan 8.300 nan 0.000 0.568 305 V N 1.051 120.860 119.914 -0.175 0.000 3.000 305 V HA 0.727 4.866 4.120 0.033 0.000 0.300 305 V C -1.171 174.885 176.094 -0.063 0.000 1.251 305 V CA 0.420 62.741 62.300 0.035 0.000 0.972 305 V CB 1.991 33.898 31.823 0.142 0.000 1.065 305 V HN 0.548 nan 8.190 nan 0.000 0.431 306 T N 3.010 117.587 114.554 0.039 0.000 2.821 306 T HA 0.977 5.347 4.350 0.033 0.000 0.306 306 T C -0.664 174.067 174.700 0.051 0.000 1.313 306 T CA -0.080 62.022 62.100 0.003 0.000 1.012 306 T CB 1.777 70.644 68.868 -0.001 0.000 1.298 306 T HN 2.264 nan 8.240 nan 0.000 0.502 307 A N 1.325 124.159 122.820 0.022 0.000 2.609 307 A HA 0.914 5.254 4.320 0.033 0.000 0.291 307 A C -3.265 174.330 177.584 0.019 0.000 1.096 307 A CA -1.849 50.215 52.037 0.045 0.000 0.684 307 A CB 0.999 20.029 19.000 0.049 0.000 1.282 307 A HN 0.667 nan 8.150 nan 0.000 0.412 308 P HA 0.208 nan 4.420 nan 0.000 0.267 308 P C -0.872 176.441 177.300 0.021 0.000 1.205 308 P CA 0.627 63.731 63.100 0.007 0.000 0.765 308 P CB 0.163 31.873 31.700 0.018 0.000 0.828 309 H N 2.693 121.693 119.070 -0.116 0.000 2.872 309 H HA 0.039 4.614 4.556 0.032 0.000 0.273 309 H C 1.450 176.739 175.328 -0.065 0.000 1.205 309 H CA -0.081 55.912 56.048 -0.092 0.000 1.342 309 H CB 0.156 29.852 29.762 -0.110 0.000 1.469 309 H HN 0.498 nan 8.280 nan 0.000 0.487 310 E N 4.186 124.262 120.200 -0.206 0.000 2.065 310 E HA -0.307 4.063 4.350 0.033 0.000 0.201 310 E C 1.933 178.419 176.600 -0.190 0.000 1.016 310 E CA 1.497 57.798 56.400 -0.165 0.000 0.818 310 E CB -0.227 29.388 29.700 -0.142 0.000 0.749 310 E HN 0.618 nan 8.360 nan 0.000 0.453 311 A N 1.085 123.708 122.820 -0.329 0.000 1.882 311 A HA -0.320 4.019 4.320 0.033 0.000 0.220 311 A C 2.656 180.194 177.584 -0.077 0.000 1.253 311 A CA 3.645 55.548 52.037 -0.223 0.000 0.664 311 A CB -1.763 17.054 19.000 -0.306 0.000 0.838 311 A HN 0.654 nan 8.150 nan 0.000 0.460 312 T N -4.616 109.943 114.554 0.008 0.000 3.088 312 T HA 0.411 4.781 4.350 0.033 0.000 0.259 312 T C 1.026 175.786 174.700 0.100 0.000 1.122 312 T CA 1.222 63.390 62.100 0.114 0.000 1.095 312 T CB -0.091 68.907 68.868 0.216 0.000 0.930 312 T HN 2.092 nan 8.240 nan 0.000 0.508 313 A N -0.378 122.458 122.820 0.026 0.000 2.952 313 A HA 0.014 4.354 4.320 0.033 0.000 0.252 313 A C 1.119 178.715 177.584 0.020 0.000 1.323 313 A CA 1.208 53.250 52.037 0.008 0.000 0.957 313 A CB -2.228 16.742 19.000 -0.050 0.000 1.130 313 A HN 1.117 nan 8.150 nan 0.000 0.799 314 G N -1.313 107.445 108.800 -0.070 0.000 3.227 314 G HA2 0.660 4.639 3.960 0.033 0.000 0.171 314 G HA3 0.660 4.639 3.960 0.033 0.000 0.171 314 G C 0.056 174.642 174.900 -0.524 0.000 1.463 314 G CA 0.058 44.872 45.100 -0.477 0.000 1.016 314 G HN 1.439 nan 8.290 nan 0.000 0.594 315 I N -0.486 119.760 120.570 -0.541 0.000 2.610 315 I HA 0.598 4.788 4.170 0.033 0.000 0.289 315 I C -1.651 174.313 176.117 -0.256 0.000 1.163 315 I CA -0.829 60.272 61.300 -0.333 0.000 1.044 315 I CB 1.918 39.699 38.000 -0.365 0.000 1.251 315 I HN 0.396 nan 8.210 nan 0.000 0.424 316 I N 6.541 127.005 120.570 -0.178 0.000 2.607 316 I HA 0.920 5.110 4.170 0.033 0.000 0.305 316 I C -0.162 175.842 176.117 -0.189 0.000 0.995 316 I CA -0.213 60.933 61.300 -0.257 0.000 1.148 316 I CB 1.875 39.761 38.000 -0.190 0.000 1.323 316 I HN 0.719 nan 8.210 nan 0.000 0.461 317 G N 4.644 113.301 108.800 -0.238 0.000 2.632 317 G HA2 0.534 4.514 3.960 0.033 0.000 0.292 317 G HA3 0.534 4.514 3.960 0.033 0.000 0.292 317 G C -2.054 172.695 174.900 -0.252 0.000 1.465 317 G CA -0.496 44.480 45.100 -0.208 0.000 0.824 317 G HN 0.480 nan 8.290 nan 0.000 0.509 318 V N 0.919 120.629 119.914 -0.340 0.000 2.667 318 V HA 0.706 4.845 4.120 0.033 0.000 0.308 318 V C -0.167 175.597 176.094 -0.550 0.000 1.048 318 V CA -0.960 61.114 62.300 -0.377 0.000 0.928 318 V CB 1.739 33.360 31.823 -0.337 0.000 1.004 318 V HN 1.061 nan 8.190 nan 0.000 0.444 319 N N 1.709 120.240 118.700 -0.281 0.000 2.380 319 N HA 0.375 5.135 4.740 0.033 0.000 0.290 319 N C 0.540 176.110 175.510 0.101 0.000 1.236 319 N CA -1.118 51.842 53.050 -0.151 0.000 0.780 319 N CB 1.199 39.644 38.487 -0.069 0.000 1.438 319 N HN 0.461 nan 8.380 nan 0.000 0.491 320 R N -0.211 120.427 120.500 0.231 0.000 2.294 320 R HA -0.228 4.132 4.340 0.033 0.000 0.250 320 R C 1.054 177.451 176.300 0.162 0.000 1.181 320 R CA 1.744 58.002 56.100 0.262 0.000 1.016 320 R CB -0.018 30.381 30.300 0.165 0.000 0.869 320 R HN 0.755 nan 8.270 nan 0.000 0.476 321 K N -1.404 119.062 120.400 0.110 0.000 2.361 321 K HA 0.009 4.348 4.320 0.033 0.000 0.196 321 K C 0.827 177.476 176.600 0.082 0.000 1.039 321 K CA 1.043 57.379 56.287 0.082 0.000 1.001 321 K CB 0.422 32.958 32.500 0.060 0.000 0.795 321 K HN 0.287 nan 8.250 nan 0.000 0.495 322 G N 0.438 109.293 108.800 0.092 0.000 2.179 322 G HA2 -0.240 3.740 3.960 0.033 0.000 0.220 322 G HA3 -0.240 3.740 3.960 0.033 0.000 0.220 322 G C -0.394 174.530 174.900 0.039 0.000 0.990 322 G CA -0.021 45.127 45.100 0.080 0.000 0.646 322 G HN 0.360 nan 8.290 nan 0.000 0.517 323 Q N 0.954 120.769 119.800 0.025 0.000 2.293 323 Q HA 0.454 4.813 4.340 0.033 0.000 0.263 323 Q C -0.106 175.868 176.000 -0.045 0.000 1.002 323 Q CA -0.032 55.776 55.803 0.008 0.000 0.910 323 Q CB 1.209 29.967 28.738 0.033 0.000 1.185 323 Q HN 0.267 nan 8.270 nan 0.000 0.401 324 V N 6.805 126.679 119.914 -0.068 0.000 2.348 324 V HA 0.297 4.436 4.120 0.033 0.000 0.270 324 V C -0.137 175.796 176.094 -0.268 0.000 1.037 324 V CA -0.585 61.622 62.300 -0.156 0.000 0.872 324 V CB 0.522 32.275 31.823 -0.117 0.000 1.002 324 V HN 0.590 nan 8.190 nan 0.000 0.464 325 L N 3.560 124.574 121.223 -0.349 0.000 2.354 325 L HA 1.063 5.422 4.340 0.033 0.000 0.264 325 L C -0.042 176.455 176.870 -0.622 0.000 1.008 325 L CA -0.427 54.106 54.840 -0.511 0.000 0.819 325 L CB 2.247 44.095 42.059 -0.351 0.000 1.339 325 L HN 0.547 nan 8.230 nan 0.000 0.420 326 S N 0.084 115.335 115.700 -0.748 0.000 2.709 326 S HA 0.976 5.466 4.470 0.033 0.000 0.302 326 S C -0.863 173.507 174.600 -0.383 0.000 1.127 326 S CA -0.784 57.065 58.200 -0.584 0.000 0.905 326 S CB 2.016 64.746 63.200 -0.782 0.000 1.151 326 S HN 0.734 nan 8.310 nan 0.000 0.510 327 V N 0.646 120.425 119.914 -0.225 0.000 2.752 327 V HA 0.602 4.742 4.120 0.033 0.000 0.302 327 V C -0.320 175.742 176.094 -0.054 0.000 1.133 327 V CA -0.584 61.711 62.300 -0.010 0.000 0.919 327 V CB 1.084 33.012 31.823 0.175 0.000 1.026 327 V HN 1.507 nan 8.190 nan 0.000 0.429 328 C N 2.613 121.993 119.300 0.133 0.000 3.307 328 C HA 0.887 5.366 4.460 0.033 0.000 0.350 328 C C -0.139 175.080 174.990 0.381 0.000 1.549 328 C CA -0.978 58.182 59.018 0.237 0.000 1.396 328 C CB 1.317 29.142 27.740 0.141 0.000 1.970 328 C HN 0.571 nan 8.230 nan 0.000 0.441 329 V N 1.785 121.925 119.914 0.377 0.000 2.614 329 V HA 0.312 4.451 4.120 0.033 0.000 0.291 329 V C 0.343 176.422 176.094 -0.023 0.000 1.049 329 V CA 0.724 63.062 62.300 0.064 0.000 1.038 329 V CB 1.098 32.772 31.823 -0.249 0.000 0.980 329 V HN 0.923 nan 8.190 nan 0.000 0.481 330 E N 3.334 123.482 120.200 -0.087 0.000 1.924 330 E HA 0.146 4.516 4.350 0.033 0.000 0.261 330 E C 1.014 177.555 176.600 -0.098 0.000 1.088 330 E CA 0.093 56.450 56.400 -0.073 0.000 0.909 330 E CB 0.207 29.849 29.700 -0.097 0.000 1.112 330 E HN 0.651 nan 8.360 nan 0.000 0.425 331 E N 2.467 122.612 120.200 -0.091 0.000 2.208 331 E HA -0.253 4.117 4.350 0.033 0.000 0.202 331 E C 1.000 177.572 176.600 -0.048 0.000 1.014 331 E CA 1.216 57.563 56.400 -0.087 0.000 0.819 331 E CB 0.258 29.950 29.700 -0.013 0.000 0.735 331 E HN 0.571 nan 8.360 nan 0.000 0.469 332 E N 0.173 120.353 120.200 -0.033 0.000 2.153 332 E HA -0.129 4.240 4.350 0.033 0.000 0.194 332 E C 1.119 177.706 176.600 -0.023 0.000 0.988 332 E CA 0.878 57.266 56.400 -0.021 0.000 0.811 332 E CB 0.040 29.730 29.700 -0.016 0.000 0.746 332 E HN 0.369 nan 8.360 nan 0.000 0.466 333 N N -0.305 118.372 118.700 -0.038 0.000 2.145 333 N HA 0.013 4.772 4.740 0.033 0.000 0.219 333 N C 1.609 177.112 175.510 -0.012 0.000 1.266 333 N CA -0.132 52.906 53.050 -0.020 0.000 0.902 333 N CB -0.013 38.462 38.487 -0.021 0.000 1.078 333 N HN 0.020 nan 8.380 nan 0.000 0.513 334 I N 1.904 122.438 120.570 -0.061 0.000 2.143 334 I HA -0.291 3.898 4.170 0.033 0.000 0.245 334 I C 1.605 177.736 176.117 0.022 0.000 1.068 334 I CA 1.419 62.684 61.300 -0.058 0.000 1.326 334 I CB -0.039 37.887 38.000 -0.123 0.000 1.028 334 I HN -0.043 nan 8.210 nan 0.000 0.412 335 I N 0.831 121.406 120.570 0.008 0.000 2.072 335 I HA -0.170 4.020 4.170 0.033 0.000 0.235 335 I C 0.065 176.201 176.117 0.032 0.000 1.058 335 I CA 1.869 63.180 61.300 0.019 0.000 1.320 335 I CB -3.160 34.844 38.000 0.008 0.000 1.047 335 I HN 0.153 nan 8.210 nan 0.000 0.397 336 P HA -0.255 nan 4.420 nan 0.000 0.217 336 P C 1.938 179.256 177.300 0.030 0.000 1.158 336 P CA 1.770 64.883 63.100 0.021 0.000 0.887 336 P CB -0.282 31.434 31.700 0.026 0.000 0.792 337 Y N -0.125 120.140 120.300 -0.058 0.000 2.145 337 Y HA -0.189 4.381 4.550 0.033 0.000 0.286 337 Y C 2.202 178.070 175.900 -0.053 0.000 1.145 337 Y CA 1.508 59.570 58.100 -0.064 0.000 1.148 337 Y CB -0.861 37.542 38.460 -0.094 0.000 0.981 337 Y HN -0.172 nan 8.280 nan 0.000 0.507 338 I N -0.671 119.955 120.570 0.094 0.000 2.226 338 I HA -0.350 3.840 4.170 0.033 0.000 0.245 338 I C 2.115 178.183 176.117 -0.082 0.000 1.100 338 I CA 1.833 63.137 61.300 0.006 0.000 1.374 338 I CB -0.728 37.299 38.000 0.045 0.000 1.057 338 I HN 0.290 nan 8.210 nan 0.000 0.413 339 T N 0.759 115.277 114.554 -0.059 0.000 2.668 339 T HA -0.102 4.268 4.350 0.033 0.000 0.262 339 T C 1.588 176.229 174.700 -0.098 0.000 1.045 339 T CA 1.376 63.439 62.100 -0.063 0.000 1.152 339 T CB -0.328 68.517 68.868 -0.038 0.000 0.864 339 T HN 0.279 nan 8.240 nan 0.000 0.419 340 N N 1.153 119.782 118.700 -0.119 0.000 2.174 340 N HA 0.023 4.783 4.740 0.033 0.000 0.191 340 N C 2.238 177.620 175.510 -0.212 0.000 1.059 340 N CA 0.840 53.809 53.050 -0.134 0.000 0.889 340 N CB -1.196 37.227 38.487 -0.106 0.000 1.069 340 N HN 0.130 nan 8.380 nan 0.000 0.461 341 V N 1.996 121.710 119.914 -0.332 0.000 2.242 341 V HA -0.256 3.884 4.120 0.033 0.000 0.257 341 V C 2.426 178.277 176.094 -0.405 0.000 1.073 341 V CA 1.766 63.786 62.300 -0.466 0.000 1.058 341 V CB -0.894 30.346 31.823 -0.971 0.000 0.664 341 V HN 0.265 nan 8.190 nan 0.000 0.451 342 L N -0.993 119.966 121.223 -0.440 0.000 2.395 342 L HA -0.031 4.329 4.340 0.033 0.000 0.218 342 L C 1.265 178.040 176.870 -0.158 0.000 1.130 342 L CA 0.695 55.387 54.840 -0.246 0.000 0.826 342 L CB -0.387 41.570 42.059 -0.170 0.000 0.941 342 L HN 0.520 nan 8.230 nan 0.000 0.451 343 Q N 0.473 120.181 119.800 -0.152 0.000 2.452 343 Q HA -0.245 4.115 4.340 0.033 0.000 0.318 343 Q C -0.233 175.720 176.000 -0.078 0.000 1.386 343 Q CA 0.311 56.052 55.803 -0.103 0.000 0.872 343 Q CB -1.689 26.993 28.738 -0.093 0.000 1.151 343 Q HN 0.329 nan 8.270 nan 0.000 0.417 344 N N -0.107 118.550 118.700 -0.072 0.000 2.746 344 N HA 0.236 4.996 4.740 0.033 0.000 0.250 344 N C -2.298 173.191 175.510 -0.036 0.000 1.146 344 N CA -2.022 50.999 53.050 -0.049 0.000 0.828 344 N CB 1.331 39.792 38.487 -0.043 0.000 1.158 344 N HN -0.092 nan 8.380 nan 0.000 0.519 345 P HA -0.037 nan 4.420 nan 0.000 0.215 345 P C 0.698 177.991 177.300 -0.012 0.000 1.157 345 P CA 1.005 64.092 63.100 -0.022 0.000 0.859 345 P CB 0.546 32.232 31.700 -0.023 0.000 0.786 346 D N -0.335 120.058 120.400 -0.011 0.000 2.092 346 D HA -0.161 4.499 4.640 0.033 0.000 0.193 346 D C 1.972 178.275 176.300 0.006 0.000 0.994 346 D CA 1.074 55.072 54.000 -0.002 0.000 0.828 346 D CB -0.737 40.060 40.800 -0.004 0.000 0.963 346 D HN 0.035 nan 8.370 nan 0.000 0.450 347 L N 1.476 122.701 121.223 0.003 0.000 2.012 347 L HA -0.144 4.216 4.340 0.033 0.000 0.210 347 L C 2.388 179.269 176.870 0.018 0.000 1.073 347 L CA 1.891 56.739 54.840 0.013 0.000 0.748 347 L CB -0.883 41.180 42.059 0.007 0.000 0.891 347 L HN -0.026 nan 8.230 nan 0.000 0.431 348 A N -0.712 122.113 122.820 0.009 0.000 1.908 348 A HA -0.205 4.134 4.320 0.033 0.000 0.218 348 A C 2.292 179.885 177.584 0.015 0.000 1.181 348 A CA 1.898 53.942 52.037 0.011 0.000 0.627 348 A CB -1.032 17.969 19.000 0.000 0.000 0.818 348 A HN 0.493 nan 8.150 nan 0.000 0.445 349 L N -0.758 120.472 121.223 0.011 0.000 2.131 349 L HA -0.155 4.204 4.340 0.033 0.000 0.210 349 L C 2.551 179.435 176.870 0.024 0.000 1.092 349 L CA 2.464 57.313 54.840 0.014 0.000 0.759 349 L CB -0.676 41.388 42.059 0.009 0.000 0.903 349 L HN 0.502 nan 8.230 nan 0.000 0.435 350 R N 0.017 120.535 120.500 0.030 0.000 2.062 350 R HA -0.150 4.210 4.340 0.033 0.000 0.226 350 R C 2.244 178.579 176.300 0.058 0.000 1.125 350 R CA 1.846 57.973 56.100 0.046 0.000 0.966 350 R CB -0.676 29.656 30.300 0.053 0.000 0.861 350 R HN 0.273 nan 8.270 nan 0.000 0.433 351 M N -0.051 119.582 119.600 0.056 0.000 2.065 351 M HA -0.129 4.370 4.480 0.033 0.000 0.259 351 M C 1.996 178.332 176.300 0.059 0.000 1.069 351 M CA 2.301 57.640 55.300 0.065 0.000 1.110 351 M CB -0.319 32.310 32.600 0.049 0.000 1.328 351 M HN 0.294 nan 8.290 nan 0.000 0.405 352 A N -0.552 122.293 122.820 0.042 0.000 1.849 352 A HA -0.177 4.163 4.320 0.033 0.000 0.217 352 A C 2.055 179.663 177.584 0.039 0.000 1.202 352 A CA 2.307 54.366 52.037 0.036 0.000 0.629 352 A CB -1.419 17.595 19.000 0.024 0.000 0.834 352 A HN 0.386 nan 8.150 nan 0.000 0.447 353 V N 0.580 120.515 119.914 0.034 0.000 2.231 353 V HA -0.336 3.804 4.120 0.033 0.000 0.248 353 V C 2.743 178.858 176.094 0.036 0.000 1.054 353 V CA 2.616 64.934 62.300 0.031 0.000 1.015 353 V CB -0.957 30.883 31.823 0.028 0.000 0.638 353 V HN 0.709 nan 8.190 nan 0.000 0.444 354 R N 0.223 120.752 120.500 0.048 0.000 2.083 354 R HA -0.192 4.168 4.340 0.033 0.000 0.237 354 R C 1.660 177.992 176.300 0.053 0.000 1.137 354 R CA 2.200 58.331 56.100 0.052 0.000 0.951 354 R CB -0.263 30.089 30.300 0.087 0.000 0.851 354 R HN 0.467 nan 8.270 nan 0.000 0.434 355 N N 0.803 119.549 118.700 0.077 0.000 2.273 355 N HA 0.057 4.817 4.740 0.033 0.000 0.231 355 N C -0.956 174.609 175.510 0.092 0.000 1.134 355 N CA -0.037 53.072 53.050 0.097 0.000 0.856 355 N CB -0.178 38.400 38.487 0.151 0.000 1.068 355 N HN 0.284 nan 8.380 nan 0.000 0.510 356 N N 0.255 118.992 118.700 0.061 0.000 2.699 356 N HA -0.232 4.527 4.740 0.033 0.000 0.256 356 N C -0.763 174.780 175.510 0.055 0.000 0.993 356 N CA 0.093 53.172 53.050 0.049 0.000 0.759 356 N CB -0.795 37.716 38.487 0.039 0.000 0.906 356 N HN 0.257 nan 8.380 nan 0.000 0.541 357 L N 0.000 121.256 121.223 0.054 0.000 2.949 357 L HA 0.000 4.360 4.340 0.033 0.000 0.249 357 L CA 0.000 54.868 54.840 0.046 0.000 0.813 357 L CB 0.000 42.081 42.059 0.036 0.000 0.961 357 L HN 0.000 nan 8.230 nan 0.000 0.502