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 1rp5_1_B DATA FIRST_RESID 64 DATA SEQUENCE KVHQTTRTVP AKRGTIYDRN GVPIAEDATS YNVYAVIDEN YKSATGKILY DATA SEQUENCE VEKTQFNKVA EVFHKYLDME ESYVREQLSQ PNLKQVSFGA KGNGITYANM DATA SEQUENCE MSIKKELETA EVKGIDFTTS PNRSYPNGQF ASSFIGLAQL HENEDGSKSL DATA SEQUENCE LGTSGMESSL NSILAGTDGI ITYEKDRLGN IVPGTEQVSQ QTVDGKDVYT DATA SEQUENCE TISSPLQSFM ETQMDAFQEK VKGKYMTATL VSAKTGEILA TTQRPTFDAD DATA SEQUENCE TKEGITEDFV WRDILYQSNY EPGSTMKVMM LAAAIDNNTF PGGEVFNSSE DATA SEQUENCE LKIADATIRD WDVXXXXXXX RMMTFSQGFA HSSNVGMTLL EQKMGDATWL DATA SEQUENCE DYLNRFKFGV PTRFGLTDEY AGQLPADNIV NIAMSAFGQG ISVTQTQMLR DATA SEQUENCE AFTAIANDGV MLEPKFISAL YDPNDQSVRK SQKEIVGNPV SKEAASVTRD DATA SEQUENCE HMVMVGTDPT YGTMYNHSTG KATVNVPGQN VALKSGTAEI ADEKNGGYLT DATA SEQUENCE GSTNNIFSVV SMHPAENPDF ILYVTVQQPE HYSGIQLGEF ANPILERASA DATA SEQUENCE MKESLNLQTT AKALEQVSQQ SPYPMPSVKD ISPGDLAEEL RRNLVQPIVV DATA SEQUENCE GTGTKIKNSS AEEGKNLAPN QQVLILSDKA EEVPDMYGWT KETAETFAKW DATA SEQUENCE LNIELEFEGS GSTVQKQDVR ANTAIKDIKK IKLTLGD 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 64 K HA 0.000 nan 4.320 nan 0.000 0.191 64 K C 0.000 176.593 176.600 -0.012 0.000 0.988 64 K CA 0.000 56.287 56.287 0.000 0.000 0.838 64 K CB 0.000 32.508 32.500 0.014 0.000 1.064 65 V N -1.205 118.694 119.914 -0.024 0.000 3.181 65 V HA 1.021 5.141 4.120 0.000 0.000 0.314 65 V C -0.389 175.690 176.094 -0.025 0.000 1.173 65 V CA -0.511 61.736 62.300 -0.089 0.000 1.052 65 V CB 1.604 33.361 31.823 -0.109 0.000 1.123 65 V HN 1.765 nan 8.190 nan 0.000 0.454 66 H N -0.635 118.421 119.070 -0.023 0.000 3.016 66 H HA 0.715 5.271 4.556 0.000 0.000 0.362 66 H C -0.823 174.464 175.328 -0.068 0.000 1.233 66 H CA -0.508 55.517 56.048 -0.038 0.000 1.124 66 H CB 1.378 31.118 29.762 -0.037 0.000 1.850 66 H HN 0.978 nan 8.280 nan 0.000 0.549 67 Q N 1.082 120.959 119.800 0.129 0.000 2.215 67 Q HA 0.662 5.002 4.340 0.000 0.000 0.256 67 Q C -0.809 175.184 176.000 -0.011 0.000 0.972 67 Q CA -0.852 54.954 55.803 0.004 0.000 0.889 67 Q CB 2.387 31.115 28.738 -0.018 0.000 1.281 67 Q HN 0.792 nan 8.270 nan 0.000 0.456 68 T N -0.127 114.301 114.554 -0.211 0.000 2.681 68 T HA 0.630 4.980 4.350 0.000 0.000 0.296 68 T C -1.009 173.515 174.700 -0.293 0.000 1.157 68 T CA 0.155 62.109 62.100 -0.242 0.000 1.025 68 T CB 1.664 70.358 68.868 -0.290 0.000 1.441 68 T HN 0.954 nan 8.240 nan 0.000 0.504 69 T N -0.564 113.905 114.554 -0.143 0.000 2.773 69 T HA 0.845 5.195 4.350 0.000 0.000 0.278 69 T C -0.917 173.878 174.700 0.157 0.000 1.011 69 T CA -0.936 61.174 62.100 0.017 0.000 1.014 69 T CB 1.662 70.550 68.868 0.034 0.000 1.293 69 T HN 0.927 nan 8.240 nan 0.000 0.554 70 R N 0.415 121.031 120.500 0.193 0.000 3.070 70 R HA 0.348 4.688 4.340 0.000 0.000 0.249 70 R C -0.927 175.451 176.300 0.129 0.000 1.124 70 R CA -0.428 55.787 56.100 0.192 0.000 1.111 70 R CB 0.917 31.394 30.300 0.294 0.000 1.268 70 R HN 1.067 nan 8.270 nan 0.000 0.466 71 T N -0.208 114.401 114.554 0.091 0.000 2.828 71 T HA 0.482 4.832 4.350 0.000 0.000 0.290 71 T C 0.030 174.771 174.700 0.070 0.000 1.019 71 T CA -0.534 61.609 62.100 0.072 0.000 1.031 71 T CB 1.455 70.357 68.868 0.056 0.000 1.001 71 T HN 0.260 nan 8.240 nan 0.000 0.531 72 V N 3.387 123.338 119.914 0.062 0.000 2.376 72 V HA 0.368 4.488 4.120 0.000 0.000 0.287 72 V C -2.427 173.698 176.094 0.051 0.000 1.015 72 V CA -2.148 60.190 62.300 0.063 0.000 0.834 72 V CB 1.353 33.214 31.823 0.063 0.000 1.001 72 V HN 0.819 nan 8.190 nan 0.000 0.428 73 P HA 0.130 nan 4.420 nan 0.000 0.261 73 P C -0.164 177.152 177.300 0.027 0.000 1.203 73 P CA 0.475 63.596 63.100 0.035 0.000 0.767 73 P CB 0.489 32.209 31.700 0.033 0.000 0.785 74 A N 4.119 126.949 122.820 0.015 0.000 2.322 74 A HA 0.239 4.559 4.320 0.000 0.000 0.269 74 A C 0.357 177.935 177.584 -0.011 0.000 1.094 74 A CA -0.535 51.505 52.037 0.004 0.000 0.807 74 A CB 0.176 19.178 19.000 0.004 0.000 1.047 74 A HN 0.454 nan 8.150 nan 0.000 0.487 75 K N 1.730 122.115 120.400 -0.025 0.000 2.378 75 K HA 0.086 4.406 4.320 0.000 0.000 0.288 75 K C 0.285 176.861 176.600 -0.040 0.000 1.057 75 K CA -0.178 56.084 56.287 -0.042 0.000 0.971 75 K CB 0.197 32.661 32.500 -0.059 0.000 0.975 75 K HN 0.713 nan 8.250 nan 0.000 0.475 76 R N 3.179 123.650 120.500 -0.048 0.000 2.489 76 R HA 0.041 4.381 4.340 0.000 0.000 0.287 76 R C 0.239 176.499 176.300 -0.068 0.000 1.053 76 R CA 0.155 56.225 56.100 -0.050 0.000 1.036 76 R CB 0.427 30.693 30.300 -0.056 0.000 0.966 76 R HN 0.863 nan 8.270 nan 0.000 0.432 77 G N 2.201 110.970 108.800 -0.052 0.000 2.771 77 G HA2 -0.040 3.920 3.960 0.000 0.000 0.242 77 G HA3 -0.040 3.920 3.960 0.000 0.000 0.242 77 G C -0.626 174.187 174.900 -0.145 0.000 1.233 77 G CA -0.266 44.798 45.100 -0.060 0.000 0.858 77 G HN 0.582 nan 8.290 nan 0.000 0.591 78 T N 0.924 115.338 114.554 -0.234 0.000 2.799 78 T HA 0.369 4.719 4.350 0.000 0.000 0.286 78 T C 0.566 174.968 174.700 -0.497 0.000 0.973 78 T CA -0.106 61.712 62.100 -0.470 0.000 1.035 78 T CB 0.863 69.226 68.868 -0.841 0.000 0.932 78 T HN 0.297 nan 8.240 nan 0.000 0.469 79 I N 4.196 124.536 120.570 -0.383 0.000 2.322 79 I HA 0.248 4.418 4.170 0.000 0.000 0.292 79 I C -0.680 175.258 176.117 -0.299 0.000 1.060 79 I CA -0.454 60.703 61.300 -0.239 0.000 1.309 79 I CB 0.083 38.036 38.000 -0.077 0.000 1.415 79 I HN 0.531 nan 8.210 nan 0.000 0.492 80 Y N 4.385 124.568 120.300 -0.195 0.000 2.387 80 Y HA 0.208 4.758 4.550 0.000 0.000 0.336 80 Y C 0.617 176.483 175.900 -0.057 0.000 1.067 80 Y CA -1.215 56.738 58.100 -0.245 0.000 1.114 80 Y CB 0.882 38.933 38.460 -0.680 0.000 1.208 80 Y HN 0.575 nan 8.280 nan 0.000 0.458 81 D N 2.279 122.807 120.400 0.213 0.000 2.346 81 D HA -0.066 4.574 4.640 0.000 0.000 0.236 81 D C 1.124 177.566 176.300 0.237 0.000 1.259 81 D CA -0.309 53.835 54.000 0.240 0.000 0.898 81 D CB 0.715 41.657 40.800 0.237 0.000 1.178 81 D HN 0.815 nan 8.370 nan 0.000 0.457 82 R N 0.790 121.433 120.500 0.238 0.000 2.261 82 R HA -0.155 4.185 4.340 0.000 0.000 0.236 82 R C 0.349 176.774 176.300 0.208 0.000 1.141 82 R CA 1.124 57.362 56.100 0.230 0.000 1.001 82 R CB -0.485 29.925 30.300 0.183 0.000 0.866 82 R HN 0.298 nan 8.270 nan 0.000 0.468 83 N N -0.404 118.396 118.700 0.167 0.000 2.235 83 N HA 0.113 4.853 4.740 0.000 0.000 0.231 83 N C 0.363 175.911 175.510 0.064 0.000 1.177 83 N CA 0.735 53.851 53.050 0.110 0.000 0.874 83 N CB 1.662 40.196 38.487 0.079 0.000 1.097 83 N HN 0.527 nan 8.380 nan 0.000 0.518 84 G N 0.018 108.834 108.800 0.027 0.000 2.194 84 G HA2 -0.264 3.696 3.960 0.000 0.000 0.236 84 G HA3 -0.264 3.696 3.960 0.000 0.000 0.236 84 G C 0.055 174.902 174.900 -0.089 0.000 0.987 84 G CA -0.063 44.875 45.100 -0.270 0.000 0.635 84 G HN 0.163 nan 8.290 nan 0.000 0.520 85 V N 2.816 122.770 119.914 0.066 0.000 2.479 85 V HA 0.333 4.453 4.120 0.000 0.000 0.281 85 V C -1.409 174.790 176.094 0.176 0.000 1.031 85 V CA -0.919 61.443 62.300 0.104 0.000 1.038 85 V CB 1.112 32.983 31.823 0.080 0.000 0.981 85 V HN 0.128 nan 8.190 nan 0.000 0.478 86 P HA 0.214 nan 4.420 nan 0.000 0.268 86 P C 0.463 177.682 177.300 -0.135 0.000 1.204 86 P CA 0.316 63.408 63.100 -0.013 0.000 0.768 86 P CB 0.806 32.465 31.700 -0.068 0.000 0.842 87 I N 1.445 121.900 120.570 -0.192 0.000 3.366 87 I HA 0.223 4.393 4.170 0.000 0.000 0.267 87 I C 0.662 176.662 176.117 -0.194 0.000 1.149 87 I CA 0.332 61.499 61.300 -0.221 0.000 1.436 87 I CB 0.138 38.097 38.000 -0.068 0.000 1.379 87 I HN 0.245 nan 8.210 nan 0.000 0.460 88 A N 2.094 124.763 122.820 -0.251 0.000 2.357 88 A HA 0.622 4.942 4.320 0.000 0.000 0.295 88 A C -0.640 176.684 177.584 -0.434 0.000 1.121 88 A CA -0.370 51.388 52.037 -0.465 0.000 0.742 88 A CB 0.603 19.409 19.000 -0.323 0.000 1.181 88 A HN 0.335 nan 8.150 nan 0.000 0.454 89 E N 1.569 121.505 120.200 -0.440 0.000 2.410 89 E HA 0.505 4.855 4.350 0.000 0.000 0.269 89 E C -1.236 175.203 176.600 -0.270 0.000 0.937 89 E CA -0.828 55.372 56.400 -0.332 0.000 0.793 89 E CB 1.275 30.807 29.700 -0.279 0.000 1.314 89 E HN 0.398 nan 8.360 nan 0.000 0.447 90 D N -0.158 120.122 120.400 -0.201 0.000 2.414 90 D HA 0.338 4.979 4.640 0.000 0.000 0.242 90 D C -0.735 175.486 176.300 -0.131 0.000 1.129 90 D CA 0.212 54.120 54.000 -0.153 0.000 0.885 90 D CB 1.070 41.797 40.800 -0.121 0.000 1.198 90 D HN 0.575 nan 8.370 nan 0.000 0.437 91 A N 2.907 125.655 122.820 -0.120 0.000 2.843 91 A HA 0.248 4.568 4.320 0.000 0.000 0.248 91 A C 0.193 177.708 177.584 -0.115 0.000 0.904 91 A CA -0.586 51.390 52.037 -0.101 0.000 1.091 91 A CB 0.127 19.072 19.000 -0.093 0.000 1.208 91 A HN 0.486 nan 8.150 nan 0.000 0.476 92 T N 2.130 116.600 114.554 -0.140 0.000 2.918 92 T HA 0.487 4.837 4.350 0.000 0.000 0.302 92 T C 0.643 175.144 174.700 -0.332 0.000 1.045 92 T CA 0.897 62.859 62.100 -0.229 0.000 1.114 92 T CB 0.720 69.447 68.868 -0.236 0.000 0.965 92 T HN 0.893 nan 8.240 nan 0.000 0.540 93 S N 1.392 116.812 115.700 -0.468 0.000 2.627 93 S HA 0.757 5.227 4.470 0.000 0.000 0.283 93 S C -1.767 172.402 174.600 -0.719 0.000 1.127 93 S CA -0.979 56.945 58.200 -0.461 0.000 0.863 93 S CB 1.048 64.147 63.200 -0.170 0.000 1.121 93 S HN 0.553 nan 8.310 nan 0.000 0.479 94 Y N 0.212 120.541 120.300 0.048 0.000 2.524 94 Y HA 0.593 5.143 4.550 0.000 0.000 0.344 94 Y C -0.095 175.913 175.900 0.180 0.000 1.012 94 Y CA -1.071 57.093 58.100 0.107 0.000 1.068 94 Y CB 1.629 40.111 38.460 0.036 0.000 1.249 94 Y HN 0.633 nan 8.280 nan 0.000 0.468 95 N N 1.005 119.941 118.700 0.393 0.000 2.399 95 N HA 0.331 5.072 4.740 0.000 0.000 0.280 95 N C -1.348 174.347 175.510 0.310 0.000 1.008 95 N CA -0.489 52.731 53.050 0.283 0.000 0.894 95 N CB 2.614 41.197 38.487 0.159 0.000 1.273 95 N HN 0.417 nan 8.380 nan 0.000 0.486 96 V N 3.588 123.584 119.914 0.137 0.000 2.686 96 V HA 0.563 4.683 4.120 0.000 0.000 0.295 96 V C -1.151 175.023 176.094 0.133 0.000 1.057 96 V CA -0.039 62.119 62.300 -0.237 0.000 1.012 96 V CB 0.287 31.732 31.823 -0.630 0.000 1.006 96 V HN 0.669 nan 8.190 nan 0.000 0.477 97 Y N 3.569 123.791 120.300 -0.129 0.000 2.609 97 Y HA 0.893 5.443 4.550 0.000 0.000 0.336 97 Y C -0.649 175.297 175.900 0.076 0.000 1.129 97 Y CA -1.140 57.018 58.100 0.097 0.000 1.040 97 Y CB 1.152 39.621 38.460 0.015 0.000 1.310 97 Y HN 0.801 nan 8.280 nan 0.000 0.460 98 A N 1.335 124.201 122.820 0.078 0.000 2.401 98 A HA 0.822 5.142 4.320 0.000 0.000 0.310 98 A C -1.756 175.768 177.584 -0.099 0.000 1.075 98 A CA -0.932 51.049 52.037 -0.092 0.000 0.746 98 A CB 1.582 20.634 19.000 0.086 0.000 1.277 98 A HN 0.769 nan 8.150 nan 0.000 0.425 99 V N 2.926 122.743 119.914 -0.161 0.000 2.398 99 V HA 0.328 4.448 4.120 0.000 0.000 0.286 99 V C 0.837 176.935 176.094 0.007 0.000 1.026 99 V CA 0.020 62.236 62.300 -0.141 0.000 0.868 99 V CB 1.043 32.653 31.823 -0.355 0.000 0.982 99 V HN 0.863 nan 8.190 nan 0.000 0.443 100 I N -0.326 120.268 120.570 0.040 0.000 4.139 100 I HA 0.342 4.512 4.170 0.000 0.000 0.320 100 I C 0.849 177.024 176.117 0.096 0.000 1.290 100 I CA -0.119 61.282 61.300 0.168 0.000 1.253 100 I CB 0.248 38.338 38.000 0.150 0.000 1.122 100 I HN 0.481 nan 8.210 nan 0.000 0.421 101 D N 3.795 124.184 120.400 -0.018 0.000 2.662 101 D HA -0.123 4.517 4.640 0.000 0.000 0.237 101 D C 0.861 176.894 176.300 -0.444 0.000 1.154 101 D CA 0.800 54.735 54.000 -0.109 0.000 0.861 101 D CB 0.858 41.653 40.800 -0.007 0.000 1.146 101 D HN 0.430 nan 8.370 nan 0.000 0.518 102 E N 2.885 122.749 120.200 -0.560 0.000 2.347 102 E HA -0.123 4.227 4.350 0.000 0.000 0.196 102 E C 1.086 177.272 176.600 -0.691 0.000 1.008 102 E CA 0.285 56.033 56.400 -1.087 0.000 0.852 102 E CB 0.171 29.632 29.700 -0.398 0.000 0.783 102 E HN 0.457 nan 8.360 nan 0.000 0.505 103 N N 0.351 118.861 118.700 -0.317 0.000 2.494 103 N HA -0.102 4.638 4.740 0.000 0.000 0.182 103 N C 0.014 175.470 175.510 -0.089 0.000 1.076 103 N CA 0.343 53.307 53.050 -0.145 0.000 0.908 103 N CB 0.029 38.472 38.487 -0.073 0.000 0.967 103 N HN 0.179 nan 8.380 nan 0.000 0.449 104 Y N 2.544 122.726 120.300 -0.196 0.000 2.619 104 Y HA 0.088 4.638 4.550 0.000 0.000 0.339 104 Y C 0.706 176.654 175.900 0.079 0.000 1.224 104 Y CA 0.178 58.255 58.100 -0.038 0.000 1.946 104 Y CB -0.906 37.559 38.460 0.009 0.000 1.957 104 Y HN -0.080 nan 8.280 nan 0.000 0.421 105 K N 1.195 121.545 120.400 -0.083 0.000 2.340 105 K HA 0.740 5.060 4.320 0.000 0.000 0.244 105 K C -0.123 176.419 176.600 -0.096 0.000 0.973 105 K CA -0.388 55.905 56.287 0.009 0.000 0.828 105 K CB 0.771 33.305 32.500 0.058 0.000 1.226 105 K HN 0.445 nan 8.250 nan 0.000 0.437 106 S N 0.262 115.940 115.700 -0.037 0.000 2.586 106 S HA 0.516 4.986 4.470 0.000 0.000 0.274 106 S C 1.607 176.189 174.600 -0.031 0.000 1.281 106 S CA 0.100 58.271 58.200 -0.049 0.000 1.035 106 S CB 1.188 64.382 63.200 -0.011 0.000 0.962 106 S HN 1.789 nan 8.310 nan 0.000 0.512 107 A N 3.240 126.038 122.820 -0.036 0.000 1.920 107 A HA -0.222 4.098 4.320 0.000 0.000 0.229 107 A C 1.929 179.507 177.584 -0.010 0.000 1.516 107 A CA 2.676 54.699 52.037 -0.024 0.000 0.714 107 A CB -2.327 16.663 19.000 -0.017 0.000 0.845 107 A HN 1.028 nan 8.150 nan 0.000 0.493 108 T N -0.314 114.238 114.554 -0.003 0.000 3.650 108 T HA 0.358 4.708 4.350 0.000 0.000 0.254 108 T C 1.400 176.106 174.700 0.009 0.000 1.130 108 T CA 1.239 63.341 62.100 0.003 0.000 0.984 108 T CB -1.018 67.854 68.868 0.006 0.000 1.039 108 T HN 1.724 nan 8.240 nan 0.000 0.586 109 G N 1.283 110.089 108.800 0.009 0.000 2.196 109 G HA2 -0.331 3.629 3.960 0.000 0.000 0.268 109 G HA3 -0.331 3.629 3.960 0.000 0.000 0.268 109 G C 0.418 175.343 174.900 0.040 0.000 0.975 109 G CA 0.293 45.406 45.100 0.023 0.000 0.648 109 G HN 0.562 nan 8.290 nan 0.000 0.538 110 K N -0.068 120.353 120.400 0.034 0.000 2.448 110 K HA 0.405 4.725 4.320 0.000 0.000 0.278 110 K C 1.079 177.730 176.600 0.084 0.000 1.009 110 K CA -0.105 56.209 56.287 0.044 0.000 0.995 110 K CB 0.785 33.303 32.500 0.031 0.000 0.917 110 K HN 0.417 nan 8.250 nan 0.000 0.481 111 I N 3.081 123.699 120.570 0.081 0.000 2.517 111 I HA 0.018 4.188 4.170 0.000 0.000 0.285 111 I C 0.891 177.074 176.117 0.111 0.000 1.106 111 I CA 0.118 61.488 61.300 0.116 0.000 1.402 111 I CB 0.427 38.365 38.000 -0.104 0.000 1.399 111 I HN 0.372 nan 8.210 nan 0.000 0.535 112 L N 8.246 129.656 121.223 0.311 0.000 3.066 112 L HA 0.243 4.583 4.340 0.000 0.000 0.265 112 L C -0.449 176.670 176.870 0.416 0.000 1.232 112 L CA -0.001 55.032 54.840 0.323 0.000 1.031 112 L CB -0.602 41.682 42.059 0.375 0.000 1.379 112 L HN 0.567 nan 8.230 nan 0.000 0.563 113 Y N -2.971 117.415 120.300 0.142 0.000 2.665 113 Y HA 0.679 5.229 4.550 0.000 0.000 0.336 113 Y C -0.159 175.771 175.900 0.050 0.000 1.085 113 Y CA -1.853 56.290 58.100 0.073 0.000 1.096 113 Y CB 0.345 38.867 38.460 0.103 0.000 1.301 113 Y HN -0.259 nan 8.280 nan 0.000 0.493 114 V N 2.140 122.091 119.914 0.062 0.000 2.408 114 V HA 0.190 4.310 4.120 0.000 0.000 0.267 114 V C -0.127 176.058 176.094 0.152 0.000 1.047 114 V CA -0.646 61.661 62.300 0.013 0.000 0.937 114 V CB 0.236 32.042 31.823 -0.029 0.000 0.999 114 V HN 0.725 nan 8.190 nan 0.000 0.472 115 E N 3.626 123.822 120.200 -0.007 0.000 2.331 115 E HA 0.191 4.541 4.350 0.000 0.000 0.272 115 E C 0.669 177.353 176.600 0.141 0.000 1.036 115 E CA -0.459 55.957 56.400 0.027 0.000 0.864 115 E CB 1.162 30.796 29.700 -0.111 0.000 1.035 115 E HN 0.518 nan 8.360 nan 0.000 0.408 116 K N 1.061 121.361 120.400 -0.167 0.000 2.228 116 K HA -0.190 4.130 4.320 0.000 0.000 0.205 116 K C 1.816 178.199 176.600 -0.361 0.000 1.045 116 K CA 1.604 57.380 56.287 -0.852 0.000 0.931 116 K CB -0.175 31.916 32.500 -0.682 0.000 0.727 116 K HN 0.471 nan 8.250 nan 0.000 0.458 117 T N 1.708 116.181 114.554 -0.134 0.000 2.684 117 T HA -0.192 4.158 4.350 0.000 0.000 0.267 117 T C 1.797 176.503 174.700 0.010 0.000 1.036 117 T CA 1.460 63.523 62.100 -0.061 0.000 1.148 117 T CB -0.160 68.681 68.868 -0.045 0.000 0.863 117 T HN 0.373 nan 8.240 nan 0.000 0.436 118 Q N -0.221 119.621 119.800 0.070 0.000 2.297 118 Q HA 0.044 4.384 4.340 0.000 0.000 0.204 118 Q C 1.861 177.954 176.000 0.154 0.000 0.962 118 Q CA 0.543 56.396 55.803 0.083 0.000 0.879 118 Q CB -0.352 28.409 28.738 0.037 0.000 0.947 118 Q HN 0.383 nan 8.270 nan 0.000 0.462 119 F N 1.785 121.686 119.950 -0.081 0.000 2.135 119 F HA -0.335 4.192 4.527 0.000 0.000 0.300 119 F C 1.648 177.389 175.800 -0.099 0.000 1.074 119 F CA 1.528 59.475 58.000 -0.088 0.000 1.262 119 F CB -0.784 38.181 39.000 -0.058 0.000 1.013 119 F HN 0.219 nan 8.300 nan 0.000 0.489 120 N N -0.607 118.166 118.700 0.122 0.000 2.142 120 N HA -0.204 4.536 4.740 0.000 0.000 0.186 120 N C 1.831 177.332 175.510 -0.014 0.000 1.023 120 N CA 0.993 54.065 53.050 0.037 0.000 0.852 120 N CB -0.170 38.332 38.487 0.026 0.000 0.998 120 N HN 0.059 nan 8.380 nan 0.000 0.424 121 K N 1.262 121.650 120.400 -0.020 0.000 2.097 121 K HA -0.059 4.262 4.320 0.000 0.000 0.206 121 K C 1.655 178.198 176.600 -0.096 0.000 1.049 121 K CA 0.840 57.105 56.287 -0.038 0.000 0.933 121 K CB -0.394 32.090 32.500 -0.027 0.000 0.717 121 K HN -0.045 nan 8.250 nan 0.000 0.442 122 V N 0.903 120.698 119.914 -0.198 0.000 2.214 122 V HA -0.284 3.836 4.120 0.000 0.000 0.245 122 V C 2.309 178.119 176.094 -0.473 0.000 1.047 122 V CA 2.165 64.186 62.300 -0.465 0.000 0.998 122 V CB -1.196 30.220 31.823 -0.679 0.000 0.633 122 V HN 0.484 nan 8.190 nan 0.000 0.446 123 A N -0.496 122.123 122.820 -0.335 0.000 1.971 123 A HA -0.371 3.949 4.320 0.000 0.000 0.222 123 A C 2.259 179.848 177.584 0.007 0.000 1.182 123 A CA 2.563 54.516 52.037 -0.140 0.000 0.649 123 A CB -0.705 18.262 19.000 -0.055 0.000 0.818 123 A HN 0.707 nan 8.150 nan 0.000 0.458 124 E N -0.563 119.632 120.200 -0.008 0.000 2.051 124 E HA -0.136 4.214 4.350 0.000 0.000 0.192 124 E C 1.881 178.540 176.600 0.099 0.000 0.991 124 E CA 1.541 57.972 56.400 0.052 0.000 0.799 124 E CB -0.128 29.583 29.700 0.018 0.000 0.748 124 E HN 0.363 nan 8.360 nan 0.000 0.449 125 V N 0.461 120.434 119.914 0.098 0.000 2.283 125 V HA -0.204 3.916 4.120 0.000 0.000 0.243 125 V C 2.098 178.395 176.094 0.338 0.000 1.039 125 V CA 1.499 63.914 62.300 0.193 0.000 1.016 125 V CB -0.651 31.331 31.823 0.265 0.000 0.650 125 V HN 0.286 nan 8.190 nan 0.000 0.449 126 F N 0.580 120.557 119.950 0.045 0.000 2.154 126 F HA -0.203 4.324 4.527 0.000 0.000 0.301 126 F C 2.475 178.322 175.800 0.077 0.000 1.087 126 F CA 1.883 59.905 58.000 0.037 0.000 1.274 126 F CB -1.247 37.710 39.000 -0.072 0.000 1.009 126 F HN 0.323 nan 8.300 nan 0.000 0.485 127 H N 0.366 119.550 119.070 0.189 0.000 2.321 127 H HA -0.146 4.410 4.556 0.000 0.000 0.300 127 H C 2.372 177.703 175.328 0.006 0.000 1.087 127 H CA 2.395 58.497 56.048 0.089 0.000 1.319 127 H CB -0.270 29.524 29.762 0.054 0.000 1.379 127 H HN 0.198 nan 8.280 nan 0.000 0.501 128 K N -0.982 119.328 120.400 -0.150 0.000 2.009 128 K HA -0.207 4.113 4.320 0.000 0.000 0.210 128 K C 1.577 177.919 176.600 -0.429 0.000 1.049 128 K CA 2.016 58.061 56.287 -0.404 0.000 0.929 128 K CB -0.183 31.979 32.500 -0.563 0.000 0.714 128 K HN 0.339 nan 8.250 nan 0.000 0.440 129 Y N 0.010 120.294 120.300 -0.028 0.000 2.343 129 Y HA 0.118 4.668 4.550 0.000 0.000 0.294 129 Y C 1.691 177.556 175.900 -0.058 0.000 1.122 129 Y CA 0.390 58.463 58.100 -0.045 0.000 1.173 129 Y CB 0.185 38.622 38.460 -0.038 0.000 1.077 129 Y HN -0.063 nan 8.280 nan 0.000 0.542 130 L N -0.126 121.151 121.223 0.091 0.000 2.611 130 L HA 0.092 4.432 4.340 0.000 0.000 0.229 130 L C -0.279 176.606 176.870 0.025 0.000 1.137 130 L CA 0.250 55.105 54.840 0.025 0.000 0.901 130 L CB -0.285 41.739 42.059 -0.058 0.000 1.098 130 L HN 0.118 nan 8.230 nan 0.000 0.456 131 D N 0.793 121.184 120.400 -0.014 0.000 2.708 131 D HA -0.190 4.450 4.640 0.000 0.000 0.236 131 D C 0.135 176.478 176.300 0.070 0.000 1.146 131 D CA 1.134 55.113 54.000 -0.036 0.000 0.662 131 D CB -0.779 40.008 40.800 -0.022 0.000 1.059 131 D HN 0.324 nan 8.370 nan 0.000 0.428 132 M N 0.187 119.893 119.600 0.177 0.000 2.363 132 M HA 0.195 4.675 4.480 0.000 0.000 0.343 132 M C 0.710 177.249 176.300 0.399 0.000 1.165 132 M CA -0.427 55.038 55.300 0.274 0.000 1.046 132 M CB 1.533 34.346 32.600 0.356 0.000 1.648 132 M HN -0.164 nan 8.290 nan 0.000 0.452 133 E N 2.115 122.478 120.200 0.272 0.000 2.366 133 E HA -0.039 4.311 4.350 0.000 0.000 0.266 133 E C 0.320 177.017 176.600 0.161 0.000 1.015 133 E CA 0.067 56.575 56.400 0.180 0.000 0.906 133 E CB 0.751 30.535 29.700 0.139 0.000 0.979 133 E HN 0.637 nan 8.360 nan 0.000 0.443 134 E N 1.589 121.766 120.200 -0.039 0.000 2.118 134 E HA -0.226 4.124 4.350 0.000 0.000 0.195 134 E C 2.113 178.742 176.600 0.047 0.000 0.992 134 E CA 1.505 57.893 56.400 -0.019 0.000 0.804 134 E CB 0.004 29.621 29.700 -0.138 0.000 0.741 134 E HN 0.515 nan 8.360 nan 0.000 0.458 135 S N 0.629 116.362 115.700 0.056 0.000 2.356 135 S HA -0.265 4.205 4.470 0.000 0.000 0.223 135 S C 2.105 176.775 174.600 0.117 0.000 1.032 135 S CA 1.204 59.448 58.200 0.073 0.000 1.005 135 S CB -0.718 62.525 63.200 0.071 0.000 0.867 135 S HN 0.408 nan 8.310 nan 0.000 0.449 136 Y N 2.807 123.143 120.300 0.059 0.000 2.081 136 Y HA -0.172 4.378 4.550 0.000 0.000 0.280 136 Y C 2.356 178.333 175.900 0.128 0.000 1.163 136 Y CA 1.825 59.977 58.100 0.088 0.000 1.135 136 Y CB -0.876 37.651 38.460 0.111 0.000 0.970 136 Y HN 0.163 nan 8.280 nan 0.000 0.498 137 V N 0.992 120.978 119.914 0.121 0.000 2.252 137 V HA -0.375 3.746 4.120 0.000 0.000 0.249 137 V C 2.520 178.598 176.094 -0.026 0.000 1.056 137 V CA 2.435 64.805 62.300 0.117 0.000 1.022 137 V CB -0.784 31.105 31.823 0.109 0.000 0.641 137 V HN 0.358 nan 8.190 nan 0.000 0.445 138 R N -0.055 120.440 120.500 -0.008 0.000 2.080 138 R HA -0.201 4.139 4.340 0.000 0.000 0.236 138 R C 2.563 178.873 176.300 0.017 0.000 1.137 138 R CA 1.909 58.033 56.100 0.040 0.000 0.943 138 R CB -0.581 29.770 30.300 0.085 0.000 0.846 138 R HN 0.602 nan 8.270 nan 0.000 0.431 139 E N 0.739 120.917 120.200 -0.037 0.000 2.070 139 E HA -0.284 4.066 4.350 0.000 0.000 0.197 139 E C 1.875 178.382 176.600 -0.156 0.000 1.004 139 E CA 1.911 58.272 56.400 -0.065 0.000 0.805 139 E CB -0.185 29.480 29.700 -0.059 0.000 0.744 139 E HN 0.345 nan 8.360 nan 0.000 0.451 140 Q N -0.089 119.508 119.800 -0.338 0.000 2.050 140 Q HA 0.082 4.422 4.340 0.000 0.000 0.202 140 Q C 2.347 178.129 176.000 -0.363 0.000 0.980 140 Q CA 1.870 57.392 55.803 -0.468 0.000 0.840 140 Q CB -0.458 27.778 28.738 -0.836 0.000 0.898 140 Q HN 0.544 nan 8.270 nan 0.000 0.424 141 L N -0.485 120.549 121.223 -0.314 0.000 2.362 141 L HA -0.080 4.260 4.340 0.000 0.000 0.219 141 L C 1.554 178.470 176.870 0.077 0.000 1.134 141 L CA 0.797 55.414 54.840 -0.372 0.000 0.807 141 L CB -0.071 41.359 42.059 -1.048 0.000 0.927 141 L HN 0.036 nan 8.230 nan 0.000 0.447 142 S N -1.294 114.512 115.700 0.177 0.000 2.577 142 S HA 0.080 4.550 4.470 0.000 0.000 0.219 142 S C 0.520 175.167 174.600 0.077 0.000 0.962 142 S CA -0.240 58.101 58.200 0.235 0.000 0.921 142 S CB -0.035 63.271 63.200 0.176 0.000 0.789 142 S HN 0.391 nan 8.310 nan 0.000 0.497 143 Q N 2.826 122.629 119.800 0.006 0.000 2.349 143 Q HA 0.115 4.455 4.340 0.000 0.000 0.287 143 Q C -2.249 173.754 176.000 0.004 0.000 1.044 143 Q CA -0.918 54.873 55.803 -0.020 0.000 0.918 143 Q CB -0.034 28.665 28.738 -0.065 0.000 1.242 143 Q HN 0.210 nan 8.270 nan 0.000 0.405 144 P HA -0.064 nan 4.420 nan 0.000 0.278 144 P C -0.830 176.468 177.300 -0.003 0.000 1.238 144 P CA -0.303 62.798 63.100 0.001 0.000 0.794 144 P CB 0.487 32.185 31.700 -0.002 0.000 0.955 145 N N 2.121 120.821 118.700 -0.001 0.000 2.676 145 N HA -0.208 4.532 4.740 0.000 0.000 0.290 145 N C -1.287 174.219 175.510 -0.008 0.000 1.109 145 N CA 0.793 53.841 53.050 -0.004 0.000 0.779 145 N CB -1.732 36.752 38.487 -0.005 0.000 0.947 145 N HN 0.466 nan 8.380 nan 0.000 0.566 146 L N -0.166 121.053 121.223 -0.008 0.000 2.543 146 L HA 0.151 4.491 4.340 0.000 0.000 0.265 146 L C 1.083 177.946 176.870 -0.012 0.000 0.945 146 L CA -0.930 53.902 54.840 -0.014 0.000 0.869 146 L CB 2.037 44.078 42.059 -0.029 0.000 1.294 146 L HN 0.053 nan 8.230 nan 0.000 0.405 147 K N 0.327 120.720 120.400 -0.010 0.000 2.062 147 K HA 0.059 4.379 4.320 0.000 0.000 0.205 147 K C 0.514 177.096 176.600 -0.031 0.000 1.051 147 K CA 1.004 57.283 56.287 -0.014 0.000 0.941 147 K CB -0.072 32.429 32.500 0.002 0.000 0.719 147 K HN 0.589 nan 8.250 nan 0.000 0.440 148 Q N -0.806 118.981 119.800 -0.021 0.000 2.301 148 Q HA 0.654 4.994 4.340 0.000 0.000 0.267 148 Q C -1.515 174.469 176.000 -0.027 0.000 1.035 148 Q CA -0.619 55.185 55.803 0.001 0.000 0.856 148 Q CB 2.464 31.235 28.738 0.055 0.000 1.337 148 Q HN 0.119 nan 8.270 nan 0.000 0.450 149 V N 0.746 120.637 119.914 -0.039 0.000 2.851 149 V HA 0.509 4.629 4.120 0.000 0.000 0.307 149 V C -1.174 174.786 176.094 -0.224 0.000 1.129 149 V CA -0.222 61.973 62.300 -0.175 0.000 0.932 149 V CB 2.449 34.101 31.823 -0.285 0.000 1.024 149 V HN 0.854 nan 8.190 nan 0.000 0.426 150 S N 4.598 120.132 115.700 -0.276 0.000 2.758 150 S HA 0.721 5.191 4.470 0.000 0.000 0.292 150 S C -0.508 173.780 174.600 -0.520 0.000 1.131 150 S CA -0.193 57.919 58.200 -0.147 0.000 0.997 150 S CB 1.308 64.513 63.200 0.008 0.000 1.111 150 S HN 0.680 nan 8.310 nan 0.000 0.552 151 F N 0.662 120.688 119.950 0.128 0.000 2.815 151 F HA 0.463 4.990 4.527 0.000 0.000 0.323 151 F C 1.135 177.132 175.800 0.328 0.000 1.151 151 F CA 0.295 58.437 58.000 0.238 0.000 1.191 151 F CB 0.202 39.367 39.000 0.274 0.000 1.069 151 F HN 0.900 nan 8.300 nan 0.000 0.514 152 G N 1.210 110.195 108.800 0.308 0.000 2.568 152 G HA2 -0.047 3.913 3.960 0.000 0.000 0.222 152 G HA3 -0.047 3.913 3.960 0.000 0.000 0.222 152 G C 1.018 176.004 174.900 0.144 0.000 1.321 152 G CA -0.103 45.125 45.100 0.213 0.000 0.893 152 G HN 0.482 nan 8.290 nan 0.000 0.569 153 A N -0.318 122.549 122.820 0.078 0.000 1.892 153 A HA -0.053 4.267 4.320 0.000 0.000 0.218 153 A C 2.101 179.717 177.584 0.054 0.000 1.188 153 A CA 2.572 54.638 52.037 0.049 0.000 0.631 153 A CB -0.507 18.502 19.000 0.015 0.000 0.822 153 A HN 0.790 nan 8.150 nan 0.000 0.447 154 K N -0.458 119.976 120.400 0.056 0.000 2.589 154 K HA 0.028 4.348 4.320 0.000 0.000 0.192 154 K C 1.483 178.119 176.600 0.061 0.000 1.029 154 K CA 0.423 56.740 56.287 0.050 0.000 1.031 154 K CB -0.161 32.364 32.500 0.042 0.000 0.821 154 K HN 0.484 nan 8.250 nan 0.000 0.502 155 G N 0.558 109.423 108.800 0.108 0.000 2.838 155 G HA2 -0.035 3.925 3.960 0.000 0.000 0.210 155 G HA3 -0.035 3.925 3.960 0.000 0.000 0.210 155 G C 0.337 175.295 174.900 0.096 0.000 1.153 155 G CA -0.158 45.007 45.100 0.107 0.000 0.778 155 G HN 0.134 nan 8.290 nan 0.000 0.539 156 N N -0.215 118.536 118.700 0.084 0.000 2.443 156 N HA 0.455 5.195 4.740 0.000 0.000 0.293 156 N C 0.837 176.379 175.510 0.054 0.000 1.159 156 N CA 0.308 53.404 53.050 0.075 0.000 0.904 156 N CB 1.557 40.078 38.487 0.057 0.000 1.214 156 N HN 0.173 nan 8.380 nan 0.000 0.513 157 G N 0.385 109.211 108.800 0.042 0.000 2.176 157 G HA2 -0.258 3.702 3.960 0.000 0.000 0.252 157 G HA3 -0.258 3.702 3.960 0.000 0.000 0.252 157 G C -0.017 174.900 174.900 0.028 0.000 1.024 157 G CA -0.115 44.992 45.100 0.012 0.000 0.755 157 G HN 0.546 nan 8.290 nan 0.000 0.507 158 I N 1.828 122.444 120.570 0.076 0.000 2.588 158 I HA 0.247 4.417 4.170 0.000 0.000 0.283 158 I C 1.585 177.765 176.117 0.105 0.000 1.119 158 I CA 0.320 61.671 61.300 0.085 0.000 1.419 158 I CB 0.734 38.809 38.000 0.126 0.000 1.394 158 I HN 0.340 nan 8.210 nan 0.000 0.562 159 T N 2.635 117.227 114.554 0.063 0.000 2.918 159 T HA -0.009 4.341 4.350 0.000 0.000 0.302 159 T C 0.933 175.716 174.700 0.138 0.000 1.045 159 T CA -0.254 61.901 62.100 0.092 0.000 1.114 159 T CB 0.681 69.576 68.868 0.043 0.000 0.965 159 T HN 0.576 nan 8.240 nan 0.000 0.540 160 Y N 3.347 123.752 120.300 0.177 0.000 2.102 160 Y HA -0.187 4.363 4.550 0.000 0.000 0.280 160 Y C 2.557 178.390 175.900 -0.113 0.000 1.178 160 Y CA 2.240 60.408 58.100 0.113 0.000 1.146 160 Y CB -1.121 37.437 38.460 0.163 0.000 0.968 160 Y HN 0.880 nan 8.280 nan 0.000 0.504 161 A N 0.698 123.450 122.820 -0.113 0.000 1.892 161 A HA -0.293 4.027 4.320 0.000 0.000 0.218 161 A C 2.176 179.557 177.584 -0.339 0.000 1.188 161 A CA 2.239 54.151 52.037 -0.208 0.000 0.631 161 A CB -0.928 18.046 19.000 -0.044 0.000 0.822 161 A HN 0.648 nan 8.150 nan 0.000 0.447 162 N N -0.882 117.652 118.700 -0.276 0.000 2.171 162 N HA -0.103 4.637 4.740 0.000 0.000 0.184 162 N C 1.808 177.020 175.510 -0.497 0.000 1.021 162 N CA 1.431 54.259 53.050 -0.369 0.000 0.854 162 N CB -0.447 37.933 38.487 -0.179 0.000 0.994 162 N HN 0.638 nan 8.380 nan 0.000 0.426 163 M N 0.103 119.396 119.600 -0.512 0.000 2.106 163 M HA -0.155 4.325 4.480 0.000 0.000 0.259 163 M C 1.520 177.344 176.300 -0.794 0.000 1.068 163 M CA 1.371 56.173 55.300 -0.829 0.000 1.100 163 M CB 0.006 31.905 32.600 -1.167 0.000 1.351 163 M HN 0.012 nan 8.290 nan 0.000 0.404 164 M N -0.351 118.784 119.600 -0.775 0.000 2.175 164 M HA -0.108 4.372 4.480 0.000 0.000 0.264 164 M C 2.235 178.267 176.300 -0.448 0.000 1.063 164 M CA 1.345 56.268 55.300 -0.629 0.000 1.119 164 M CB -1.305 30.858 32.600 -0.728 0.000 1.377 164 M HN 0.289 nan 8.290 nan 0.000 0.415 165 S N 1.060 116.448 115.700 -0.520 0.000 2.348 165 S HA -0.081 4.389 4.470 0.000 0.000 0.221 165 S C 1.992 176.313 174.600 -0.464 0.000 1.033 165 S CA 1.158 59.025 58.200 -0.555 0.000 1.010 165 S CB -0.326 62.266 63.200 -1.013 0.000 0.891 165 S HN 0.389 nan 8.310 nan 0.000 0.442 166 I N 1.518 121.791 120.570 -0.495 0.000 2.091 166 I HA -0.305 3.865 4.170 0.000 0.000 0.239 166 I C 2.459 178.578 176.117 0.003 0.000 1.061 166 I CA 1.462 62.706 61.300 -0.092 0.000 1.317 166 I CB -0.447 37.602 38.000 0.082 0.000 1.031 166 I HN 0.246 nan 8.210 nan 0.000 0.401 167 K N 0.534 120.907 120.400 -0.045 0.000 2.059 167 K HA -0.287 4.034 4.320 0.000 0.000 0.212 167 K C 2.400 178.983 176.600 -0.030 0.000 1.050 167 K CA 2.181 58.460 56.287 -0.014 0.000 0.927 167 K CB -0.310 32.134 32.500 -0.093 0.000 0.714 167 K HN 0.093 nan 8.250 nan 0.000 0.447 168 K N 1.342 121.699 120.400 -0.073 0.000 2.009 168 K HA -0.187 4.133 4.320 0.000 0.000 0.210 168 K C 1.870 178.470 176.600 0.001 0.000 1.049 168 K CA 1.882 58.142 56.287 -0.044 0.000 0.929 168 K CB -0.265 32.197 32.500 -0.064 0.000 0.714 168 K HN 0.339 nan 8.250 nan 0.000 0.440 169 E N -0.117 120.103 120.200 0.032 0.000 2.110 169 E HA -0.070 4.281 4.350 0.000 0.000 0.193 169 E C 2.129 178.760 176.600 0.052 0.000 0.988 169 E CA 1.545 57.987 56.400 0.070 0.000 0.804 169 E CB -0.151 29.640 29.700 0.152 0.000 0.745 169 E HN 0.394 nan 8.360 nan 0.000 0.458 170 L N 0.285 121.538 121.223 0.050 0.000 2.376 170 L HA -0.114 4.226 4.340 0.000 0.000 0.219 170 L C 2.722 179.598 176.870 0.010 0.000 1.133 170 L CA 1.029 55.886 54.840 0.028 0.000 0.816 170 L CB -0.525 41.554 42.059 0.034 0.000 0.933 170 L HN 0.184 nan 8.230 nan 0.000 0.449 171 E N 0.285 120.491 120.200 0.010 0.000 2.033 171 E HA -0.165 4.185 4.350 0.000 0.000 0.189 171 E C 2.129 178.731 176.600 0.002 0.000 0.979 171 E CA 1.683 58.085 56.400 0.002 0.000 0.802 171 E CB -1.237 28.461 29.700 -0.002 0.000 0.763 171 E HN 0.425 nan 8.360 nan 0.000 0.449 172 T N 0.569 115.126 114.554 0.006 0.000 2.737 172 T HA -0.014 4.336 4.350 0.000 0.000 0.269 172 T C 2.143 176.845 174.700 0.005 0.000 1.040 172 T CA 1.614 63.718 62.100 0.007 0.000 1.142 172 T CB -0.346 68.530 68.868 0.013 0.000 0.861 172 T HN 0.556 nan 8.240 nan 0.000 0.456 173 A N 0.293 123.116 122.820 0.006 0.000 2.278 173 A HA 0.284 4.604 4.320 0.000 0.000 0.212 173 A C 0.995 178.574 177.584 -0.009 0.000 1.213 173 A CA 0.694 52.731 52.037 -0.000 0.000 0.840 173 A CB -0.596 18.405 19.000 0.002 0.000 0.866 173 A HN 0.573 nan 8.150 nan 0.000 0.489 174 E N -1.498 118.697 120.200 -0.009 0.000 2.805 174 E HA -0.168 4.182 4.350 0.000 0.000 0.266 174 E C -0.488 176.095 176.600 -0.028 0.000 1.092 174 E CA 0.517 56.908 56.400 -0.016 0.000 0.781 174 E CB -1.543 28.147 29.700 -0.016 0.000 1.379 174 E HN 0.370 nan 8.360 nan 0.000 0.433 175 V N 0.680 120.576 119.914 -0.029 0.000 2.785 175 V HA 0.468 4.588 4.120 0.000 0.000 0.300 175 V C 0.434 176.499 176.094 -0.048 0.000 1.062 175 V CA 0.726 62.998 62.300 -0.046 0.000 1.029 175 V CB 1.609 33.403 31.823 -0.049 0.000 1.024 175 V HN 0.249 nan 8.190 nan 0.000 0.477 176 K N 1.376 121.735 120.400 -0.068 0.000 2.575 176 K HA 0.719 5.039 4.320 0.000 0.000 0.279 176 K C 0.057 176.617 176.600 -0.068 0.000 0.969 176 K CA -0.349 55.904 56.287 -0.056 0.000 0.868 176 K CB 1.956 34.439 32.500 -0.028 0.000 1.457 176 K HN 0.992 nan 8.250 nan 0.000 0.426 177 G N 0.697 109.454 108.800 -0.071 0.000 2.227 177 G HA2 -0.021 3.939 3.960 0.000 0.000 0.168 177 G HA3 -0.021 3.939 3.960 0.000 0.000 0.168 177 G C -0.486 174.278 174.900 -0.227 0.000 1.006 177 G CA -0.348 44.692 45.100 -0.099 0.000 0.684 177 G HN 0.381 nan 8.290 nan 0.000 0.489 178 I N 2.392 122.829 120.570 -0.223 0.000 2.312 178 I HA 0.532 4.702 4.170 0.000 0.000 0.290 178 I C -0.646 175.227 176.117 -0.408 0.000 1.008 178 I CA -0.632 60.469 61.300 -0.333 0.000 1.226 178 I CB 0.960 38.849 38.000 -0.186 0.000 1.371 178 I HN -0.015 nan 8.210 nan 0.000 0.468 179 D N 5.371 125.319 120.400 -0.753 0.000 2.566 179 D HA 0.600 5.240 4.640 0.000 0.000 0.254 179 D C -1.074 174.933 176.300 -0.488 0.000 1.090 179 D CA -0.136 53.582 54.000 -0.470 0.000 1.034 179 D CB 2.595 43.229 40.800 -0.276 0.000 1.434 179 D HN 0.043 nan 8.370 nan 0.000 0.509 180 F N -0.083 119.981 119.950 0.191 0.000 2.577 180 F HA 0.366 4.893 4.527 0.000 0.000 0.318 180 F C 0.711 176.702 175.800 0.318 0.000 1.065 180 F CA -0.876 57.300 58.000 0.293 0.000 0.929 180 F CB 1.804 40.883 39.000 0.132 0.000 1.237 180 F HN -0.001 nan 8.300 nan 0.000 0.468 181 T N -1.804 113.006 114.554 0.427 0.000 2.829 181 T HA 0.569 4.919 4.350 0.000 0.000 0.282 181 T C -0.308 174.565 174.700 0.289 0.000 0.990 181 T CA -0.647 61.595 62.100 0.237 0.000 1.028 181 T CB 1.171 70.063 68.868 0.040 0.000 0.951 181 T HN 0.514 nan 8.240 nan 0.000 0.460 182 T N 3.154 117.853 114.554 0.242 0.000 2.771 182 T HA 0.450 4.800 4.350 0.000 0.000 0.291 182 T C -0.046 174.655 174.700 0.002 0.000 0.954 182 T CA -0.554 61.655 62.100 0.182 0.000 1.045 182 T CB 0.836 69.865 68.868 0.268 0.000 0.917 182 T HN 0.661 nan 8.240 nan 0.000 0.484 183 S N 5.627 121.251 115.700 -0.127 0.000 2.601 183 S HA 0.412 4.882 4.470 0.000 0.000 0.312 183 S C -2.387 172.123 174.600 -0.149 0.000 1.107 183 S CA -1.129 57.006 58.200 -0.108 0.000 1.129 183 S CB 0.875 64.022 63.200 -0.088 0.000 0.982 183 S HN 0.456 nan 8.310 nan 0.000 0.469 184 P HA 0.443 nan 4.420 nan 0.000 0.274 184 P C -0.378 176.876 177.300 -0.078 0.000 1.237 184 P CA -0.499 62.543 63.100 -0.096 0.000 0.793 184 P CB 0.558 32.226 31.700 -0.054 0.000 0.977 185 N N 0.096 118.748 118.700 -0.080 0.000 2.935 185 N HA 0.413 5.154 4.740 0.000 0.000 0.248 185 N C -1.626 173.837 175.510 -0.078 0.000 1.276 185 N CA -0.676 52.338 53.050 -0.060 0.000 0.906 185 N CB 1.352 39.803 38.487 -0.060 0.000 1.564 185 N HN 0.069 nan 8.380 nan 0.000 0.500 186 R N 0.160 120.622 120.500 -0.063 0.000 2.732 186 R HA 0.789 5.129 4.340 0.000 0.000 0.278 186 R C -1.172 175.025 176.300 -0.172 0.000 0.976 186 R CA -0.476 55.533 56.100 -0.151 0.000 0.963 186 R CB 1.420 31.654 30.300 -0.109 0.000 1.150 186 R HN 0.408 nan 8.270 nan 0.000 0.478 187 S N 2.047 117.535 115.700 -0.353 0.000 2.614 187 S HA 0.456 4.926 4.470 0.000 0.000 0.288 187 S C -1.741 172.604 174.600 -0.425 0.000 1.137 187 S CA -0.526 57.527 58.200 -0.244 0.000 0.992 187 S CB 0.447 63.561 63.200 -0.143 0.000 1.026 187 S HN 0.501 nan 8.310 nan 0.000 0.486 188 Y N 5.255 125.536 120.300 -0.031 0.000 2.944 188 Y HA 0.343 4.893 4.550 0.000 0.000 0.335 188 Y C -1.470 174.396 175.900 -0.057 0.000 1.075 188 Y CA -1.993 56.081 58.100 -0.043 0.000 1.240 188 Y CB 0.793 39.260 38.460 0.012 0.000 1.167 188 Y HN 0.532 nan 8.280 nan 0.000 0.555 189 P HA -0.208 nan 4.420 nan 0.000 0.220 189 P C 0.211 177.493 177.300 -0.030 0.000 1.144 189 P CA 1.519 64.602 63.100 -0.028 0.000 0.800 189 P CB 0.504 32.162 31.700 -0.069 0.000 0.772 190 N N -0.861 117.792 118.700 -0.078 0.000 2.280 190 N HA 0.064 4.804 4.740 0.000 0.000 0.192 190 N C 1.492 177.051 175.510 0.082 0.000 1.109 190 N CA 0.835 53.851 53.050 -0.057 0.000 0.855 190 N CB 0.526 38.803 38.487 -0.349 0.000 0.974 190 N HN 0.164 nan 8.380 nan 0.000 0.482 191 G N 2.232 111.091 108.800 0.098 0.000 2.629 191 G HA2 -0.380 3.580 3.960 0.000 0.000 0.313 191 G HA3 -0.380 3.580 3.960 0.000 0.000 0.313 191 G C -0.029 174.950 174.900 0.132 0.000 1.217 191 G CA 0.194 45.364 45.100 0.117 0.000 0.994 191 G HN 0.473 nan 8.290 nan 0.000 0.549 192 Q N 0.540 120.402 119.800 0.104 0.000 2.276 192 Q HA 0.450 4.790 4.340 0.000 0.000 0.267 192 Q C -1.156 174.947 176.000 0.171 0.000 1.135 192 Q CA -0.036 55.798 55.803 0.051 0.000 0.910 192 Q CB -0.328 28.418 28.738 0.013 0.000 1.271 192 Q HN 0.862 nan 8.270 nan 0.000 0.417 193 F N 4.042 123.962 119.950 -0.050 0.000 3.287 193 F HA 0.394 4.921 4.527 0.000 0.000 0.379 193 F C -0.148 175.664 175.800 0.020 0.000 1.268 193 F CA 0.195 58.202 58.000 0.011 0.000 1.220 193 F CB 0.483 39.521 39.000 0.063 0.000 1.687 193 F HN 0.672 nan 8.300 nan 0.000 0.648 194 A N 3.210 125.971 122.820 -0.098 0.000 2.748 194 A HA -0.286 4.034 4.320 0.000 0.000 0.297 194 A C 1.705 179.353 177.584 0.106 0.000 1.508 194 A CA 1.335 53.368 52.037 -0.008 0.000 0.799 194 A CB -2.274 16.742 19.000 0.027 0.000 1.011 194 A HN 0.978 nan 8.150 nan 0.000 0.500 195 S N -0.184 115.471 115.700 -0.076 0.000 2.380 195 S HA -0.278 4.192 4.470 0.000 0.000 0.229 195 S C 2.177 176.722 174.600 -0.092 0.000 1.050 195 S CA 1.997 60.017 58.200 -0.300 0.000 1.100 195 S CB -0.422 62.095 63.200 -1.139 0.000 0.984 195 S HN 0.991 nan 8.310 nan 0.000 0.434 196 S N 0.820 116.486 115.700 -0.058 0.000 2.356 196 S HA -0.060 4.410 4.470 0.000 0.000 0.223 196 S C 1.552 176.337 174.600 0.307 0.000 1.032 196 S CA 1.229 59.562 58.200 0.222 0.000 1.005 196 S CB -0.499 62.803 63.200 0.170 0.000 0.867 196 S HN 0.494 nan 8.310 nan 0.000 0.449 197 F N 2.462 122.479 119.950 0.111 0.000 2.102 197 F HA -0.088 4.439 4.527 0.000 0.000 0.298 197 F C 1.892 177.750 175.800 0.095 0.000 1.105 197 F CA 1.093 59.163 58.000 0.116 0.000 1.239 197 F CB -0.300 38.747 39.000 0.079 0.000 0.991 197 F HN 0.089 nan 8.300 nan 0.000 0.474 198 I N 0.048 120.718 120.570 0.167 0.000 2.315 198 I HA 0.048 4.218 4.170 0.000 0.000 0.248 198 I C 1.682 177.856 176.117 0.095 0.000 1.117 198 I CA 1.446 62.800 61.300 0.088 0.000 1.404 198 I CB -1.989 36.166 38.000 0.259 0.000 1.071 198 I HN 0.334 nan 8.210 nan 0.000 0.419 199 G N 1.325 110.239 108.800 0.191 0.000 2.660 199 G HA2 -0.195 3.765 3.960 0.000 0.000 0.215 199 G HA3 -0.195 3.765 3.960 0.000 0.000 0.215 199 G C -0.739 174.272 174.900 0.184 0.000 1.345 199 G CA -0.545 44.687 45.100 0.219 0.000 0.877 199 G HN 0.215 nan 8.290 nan 0.000 0.549 200 L N -0.267 121.034 121.223 0.132 0.000 2.455 200 L HA 0.711 5.051 4.340 0.000 0.000 0.264 200 L C 0.460 177.398 176.870 0.113 0.000 0.968 200 L CA -0.640 54.260 54.840 0.100 0.000 0.827 200 L CB 2.242 44.287 42.059 -0.025 0.000 1.317 200 L HN 1.371 nan 8.230 nan 0.000 0.407 201 A N 3.145 126.086 122.820 0.202 0.000 2.289 201 A HA 0.692 5.012 4.320 0.000 0.000 0.298 201 A C -0.595 177.040 177.584 0.085 0.000 1.208 201 A CA -0.320 51.780 52.037 0.104 0.000 0.845 201 A CB 0.712 19.762 19.000 0.082 0.000 1.125 201 A HN 0.739 nan 8.150 nan 0.000 0.517 202 Q N 1.088 120.907 119.800 0.032 0.000 2.351 202 Q HA 0.511 4.851 4.340 0.000 0.000 0.273 202 Q C -1.320 174.702 176.000 0.037 0.000 1.077 202 Q CA -1.127 54.691 55.803 0.025 0.000 0.843 202 Q CB 2.207 30.937 28.738 -0.013 0.000 1.367 202 Q HN 0.635 nan 8.270 nan 0.000 0.449 203 L N 1.939 123.182 121.223 0.034 0.000 2.410 203 L HA 0.097 4.437 4.340 0.000 0.000 0.273 203 L C -0.550 176.366 176.870 0.077 0.000 1.144 203 L CA 0.567 55.429 54.840 0.038 0.000 0.863 203 L CB -0.085 41.980 42.059 0.010 0.000 1.140 203 L HN 0.516 nan 8.230 nan 0.000 0.463 204 H N 1.676 120.735 119.070 -0.017 0.000 2.505 204 H HA 0.257 4.813 4.556 0.000 0.000 0.338 204 H C -0.958 174.363 175.328 -0.011 0.000 1.057 204 H CA -0.550 55.488 56.048 -0.017 0.000 1.202 204 H CB 1.234 30.985 29.762 -0.018 0.000 1.466 204 H HN 0.439 nan 8.280 nan 0.000 0.499 205 E N 4.884 124.752 120.200 -0.555 0.000 2.104 205 E HA 0.105 4.455 4.350 0.000 0.000 0.278 205 E C -0.319 175.934 176.600 -0.578 0.000 1.127 205 E CA -0.504 55.639 56.400 -0.427 0.000 0.897 205 E CB -0.507 29.055 29.700 -0.229 0.000 1.043 205 E HN 0.708 nan 8.360 nan 0.000 0.410 206 N N 3.055 121.551 118.700 -0.340 0.000 2.288 206 N HA 0.015 4.755 4.740 0.000 0.000 0.237 206 N C 1.260 176.707 175.510 -0.105 0.000 1.311 206 N CA -0.049 52.894 53.050 -0.178 0.000 0.909 206 N CB 0.346 38.803 38.487 -0.051 0.000 1.167 206 N HN 0.640 nan 8.380 nan 0.000 0.476 207 E N 0.183 120.362 120.200 -0.035 0.000 2.017 207 E HA -0.166 4.184 4.350 0.000 0.000 0.193 207 E C -0.071 176.525 176.600 -0.008 0.000 0.997 207 E CA 1.015 57.406 56.400 -0.014 0.000 0.804 207 E CB -0.070 29.636 29.700 0.009 0.000 0.757 207 E HN 0.581 nan 8.360 nan 0.000 0.448 208 D N -0.363 120.042 120.400 0.009 0.000 2.924 208 D HA -0.027 4.613 4.640 0.000 0.000 0.239 208 D C 1.073 177.379 176.300 0.011 0.000 1.198 208 D CA 0.769 54.785 54.000 0.026 0.000 0.958 208 D CB -0.255 40.579 40.800 0.057 0.000 1.169 208 D HN 0.399 nan 8.370 nan 0.000 0.438 209 G N 1.097 109.889 108.800 -0.012 0.000 2.587 209 G HA2 -0.414 3.546 3.960 0.000 0.000 0.246 209 G HA3 -0.414 3.546 3.960 0.000 0.000 0.246 209 G C 0.636 175.515 174.900 -0.036 0.000 1.058 209 G CA 0.982 46.067 45.100 -0.025 0.000 0.658 209 G HN 0.846 nan 8.290 nan 0.000 0.538 210 S N 0.005 115.692 115.700 -0.022 0.000 2.579 210 S HA 0.571 5.042 4.470 0.000 0.000 0.275 210 S C -0.002 174.570 174.600 -0.047 0.000 1.345 210 S CA 0.659 58.847 58.200 -0.021 0.000 1.031 210 S CB 1.754 64.958 63.200 0.006 0.000 0.892 210 S HN 0.819 nan 8.310 nan 0.000 0.529 211 K N 1.237 121.614 120.400 -0.039 0.000 2.267 211 K HA 0.821 5.141 4.320 0.000 0.000 0.246 211 K C -0.494 176.098 176.600 -0.014 0.000 0.954 211 K CA -0.906 55.350 56.287 -0.051 0.000 0.824 211 K CB 1.959 34.430 32.500 -0.049 0.000 1.167 211 K HN 0.769 nan 8.250 nan 0.000 0.431 212 S N 0.307 116.013 115.700 0.011 0.000 2.595 212 S HA 0.561 5.031 4.470 0.000 0.000 0.281 212 S C -0.814 173.818 174.600 0.053 0.000 1.117 212 S CA -0.862 57.360 58.200 0.036 0.000 0.873 212 S CB 0.957 64.192 63.200 0.059 0.000 1.108 212 S HN 0.468 nan 8.310 nan 0.000 0.477 213 L N 2.398 123.639 121.223 0.031 0.000 2.305 213 L HA 0.536 4.876 4.340 0.000 0.000 0.281 213 L C -0.994 175.892 176.870 0.028 0.000 1.085 213 L CA -0.283 54.573 54.840 0.027 0.000 0.813 213 L CB 0.426 42.487 42.059 0.003 0.000 1.157 213 L HN 0.384 nan 8.230 nan 0.000 0.436 214 L N 2.459 123.697 121.223 0.025 0.000 2.381 214 L HA 0.543 4.883 4.340 0.000 0.000 0.268 214 L C 0.419 177.283 176.870 -0.009 0.000 0.997 214 L CA -0.777 54.062 54.840 -0.001 0.000 0.818 214 L CB 1.946 43.985 42.059 -0.033 0.000 1.310 214 L HN 0.596 nan 8.230 nan 0.000 0.416 215 G N -0.277 108.515 108.800 -0.013 0.000 2.358 215 G HA2 0.356 4.316 3.960 0.000 0.000 0.273 215 G HA3 0.356 4.316 3.960 0.000 0.000 0.273 215 G C 0.708 175.584 174.900 -0.041 0.000 1.215 215 G CA 0.038 45.133 45.100 -0.009 0.000 0.910 215 G HN 0.757 nan 8.290 nan 0.000 0.467 216 T N -1.529 112.989 114.554 -0.060 0.000 3.054 216 T HA 0.451 4.801 4.350 0.000 0.000 0.255 216 T C 0.775 175.388 174.700 -0.145 0.000 1.035 216 T CA 0.376 62.402 62.100 -0.122 0.000 0.941 216 T CB -0.094 68.668 68.868 -0.177 0.000 1.026 216 T HN 1.320 nan 8.240 nan 0.000 0.533 217 S N -1.245 114.419 115.700 -0.061 0.000 2.633 217 S HA 0.583 5.053 4.470 0.000 0.000 0.271 217 S C 0.390 175.036 174.600 0.077 0.000 1.112 217 S CA -0.163 58.041 58.200 0.006 0.000 0.828 217 S CB 0.828 64.024 63.200 -0.006 0.000 1.086 217 S HN 1.525 nan 8.310 nan 0.000 0.461 218 G N 1.959 110.833 108.800 0.123 0.000 2.574 218 G HA2 -0.340 3.620 3.960 0.000 0.000 0.282 218 G HA3 -0.340 3.620 3.960 0.000 0.000 0.282 218 G C 0.812 175.664 174.900 -0.080 0.000 1.257 218 G CA 0.732 45.872 45.100 0.067 0.000 0.956 218 G HN 1.647 nan 8.290 nan 0.000 0.560 219 M N -0.710 118.755 119.600 -0.225 0.000 2.159 219 M HA -0.041 4.439 4.480 0.000 0.000 0.263 219 M C 2.346 178.588 176.300 -0.096 0.000 1.063 219 M CA 2.829 57.956 55.300 -0.289 0.000 1.110 219 M CB -0.293 32.062 32.600 -0.409 0.000 1.374 219 M HN 0.693 nan 8.290 nan 0.000 0.411 220 E N -0.244 119.942 120.200 -0.024 0.000 2.219 220 E HA -0.207 4.143 4.350 0.000 0.000 0.198 220 E C 1.880 178.483 176.600 0.006 0.000 0.998 220 E CA 1.834 58.250 56.400 0.026 0.000 0.818 220 E CB -0.088 29.669 29.700 0.095 0.000 0.741 220 E HN 0.530 nan 8.360 nan 0.000 0.477 221 S N -1.600 114.094 115.700 -0.009 0.000 2.384 221 S HA 0.010 4.480 4.470 0.000 0.000 0.217 221 S C 2.015 176.604 174.600 -0.018 0.000 1.041 221 S CA 0.813 59.004 58.200 -0.015 0.000 0.948 221 S CB -0.448 62.743 63.200 -0.015 0.000 0.872 221 S HN 0.286 nan 8.310 nan 0.000 0.512 222 S N 1.579 117.260 115.700 -0.032 0.000 2.402 222 S HA 0.021 4.492 4.470 0.000 0.000 0.233 222 S C 1.302 175.896 174.600 -0.010 0.000 1.030 222 S CA 1.238 59.420 58.200 -0.030 0.000 1.003 222 S CB -0.362 62.791 63.200 -0.079 0.000 0.813 222 S HN 0.516 nan 8.310 nan 0.000 0.477 223 L N 0.999 122.218 121.223 -0.006 0.000 2.818 223 L HA 0.261 4.601 4.340 0.000 0.000 0.243 223 L C 1.632 178.504 176.870 0.003 0.000 1.185 223 L CA -0.172 54.674 54.840 0.010 0.000 0.988 223 L CB -0.420 41.660 42.059 0.035 0.000 1.292 223 L HN 0.210 nan 8.230 nan 0.000 0.519 224 N N 0.525 119.224 118.700 -0.002 0.000 2.036 224 N HA -0.270 4.470 4.740 0.000 0.000 0.195 224 N C 2.089 177.599 175.510 0.001 0.000 1.037 224 N CA 1.952 55.001 53.050 -0.002 0.000 0.855 224 N CB 0.077 38.560 38.487 -0.007 0.000 1.033 224 N HN 0.178 nan 8.380 nan 0.000 0.423 225 S N -0.310 115.392 115.700 0.003 0.000 2.369 225 S HA -0.182 4.288 4.470 0.000 0.000 0.225 225 S C 1.934 176.539 174.600 0.009 0.000 1.043 225 S CA 1.721 59.926 58.200 0.009 0.000 1.074 225 S CB -0.603 62.606 63.200 0.016 0.000 0.962 225 S HN 0.429 nan 8.310 nan 0.000 0.433 226 I N 1.046 121.620 120.570 0.006 0.000 2.127 226 I HA -0.216 3.954 4.170 0.000 0.000 0.241 226 I C 2.362 178.482 176.117 0.004 0.000 1.075 226 I CA 1.391 62.693 61.300 0.003 0.000 1.334 226 I CB -0.436 37.560 38.000 -0.007 0.000 1.040 226 I HN 0.318 nan 8.210 nan 0.000 0.405 227 L N 0.440 121.665 121.223 0.002 0.000 2.027 227 L HA -0.177 4.163 4.340 0.000 0.000 0.206 227 L C 2.868 179.733 176.870 -0.008 0.000 1.074 227 L CA 1.308 56.145 54.840 -0.004 0.000 0.745 227 L CB -0.769 41.284 42.059 -0.011 0.000 0.898 227 L HN 0.237 nan 8.230 nan 0.000 0.433 228 A N -0.181 122.637 122.820 -0.004 0.000 1.940 228 A HA 0.073 4.393 4.320 0.000 0.000 0.219 228 A C 1.544 179.128 177.584 -0.001 0.000 1.176 228 A CA 1.343 53.379 52.037 -0.003 0.000 0.631 228 A CB -1.034 17.968 19.000 0.002 0.000 0.814 228 A HN 0.550 nan 8.150 nan 0.000 0.446 229 G N -2.466 106.335 108.800 0.002 0.000 2.645 229 G HA2 -0.097 3.863 3.960 0.000 0.000 0.246 229 G HA3 -0.097 3.863 3.960 0.000 0.000 0.246 229 G C -0.115 174.789 174.900 0.007 0.000 1.322 229 G CA -0.026 45.076 45.100 0.003 0.000 0.898 229 G HN 0.999 nan 8.290 nan 0.000 0.573 230 T N 1.576 116.135 114.554 0.008 0.000 2.809 230 T HA 0.520 4.870 4.350 0.000 0.000 0.284 230 T C -0.355 174.355 174.700 0.016 0.000 0.992 230 T CA -0.361 61.746 62.100 0.012 0.000 0.957 230 T CB 1.392 70.267 68.868 0.012 0.000 0.942 230 T HN 0.608 nan 8.240 nan 0.000 0.439 231 D N 2.166 122.578 120.400 0.020 0.000 2.419 231 D HA 0.328 4.968 4.640 0.000 0.000 0.236 231 D C 0.887 177.204 176.300 0.029 0.000 1.165 231 D CA 0.571 54.587 54.000 0.026 0.000 0.882 231 D CB 0.682 41.502 40.800 0.032 0.000 1.201 231 D HN 0.621 nan 8.370 nan 0.000 0.443 232 G N 0.196 109.017 108.800 0.035 0.000 2.522 232 G HA2 0.625 4.585 3.960 0.000 0.000 0.304 232 G HA3 0.625 4.585 3.960 0.000 0.000 0.304 232 G C -0.433 174.497 174.900 0.049 0.000 1.210 232 G CA -0.490 44.633 45.100 0.039 0.000 0.960 232 G HN 0.461 nan 8.290 nan 0.000 0.497 233 I N -0.163 120.439 120.570 0.053 0.000 2.569 233 I HA 0.375 4.545 4.170 0.000 0.000 0.290 233 I C -0.740 175.425 176.117 0.080 0.000 1.088 233 I CA -0.436 60.904 61.300 0.066 0.000 1.047 233 I CB 2.453 40.486 38.000 0.055 0.000 1.237 233 I HN 0.189 nan 8.210 nan 0.000 0.421 234 I N 4.363 125.000 120.570 0.112 0.000 2.474 234 I HA 0.454 4.624 4.170 0.000 0.000 0.294 234 I C -0.454 175.784 176.117 0.202 0.000 1.005 234 I CA -0.351 61.034 61.300 0.142 0.000 1.113 234 I CB 2.377 40.462 38.000 0.143 0.000 1.289 234 I HN 0.512 nan 8.210 nan 0.000 0.436 235 T N 5.057 119.723 114.554 0.187 0.000 2.856 235 T HA 0.682 5.032 4.350 0.000 0.000 0.283 235 T C -1.017 173.839 174.700 0.261 0.000 1.008 235 T CA -0.549 61.647 62.100 0.160 0.000 0.997 235 T CB 1.432 70.342 68.868 0.069 0.000 0.992 235 T HN 0.512 nan 8.240 nan 0.000 0.454 236 Y N -0.977 119.352 120.300 0.047 0.000 2.705 236 Y HA 0.780 5.330 4.550 0.000 0.000 0.332 236 Y C -0.867 175.051 175.900 0.030 0.000 1.221 236 Y CA -1.480 56.644 58.100 0.041 0.000 1.059 236 Y CB 0.925 39.416 38.460 0.052 0.000 1.298 236 Y HN 0.525 nan 8.280 nan 0.000 0.459 237 E N 1.072 121.328 120.200 0.093 0.000 2.249 237 E HA 0.617 4.967 4.350 0.000 0.000 0.263 237 E C -1.544 175.046 176.600 -0.017 0.000 0.950 237 E CA -1.438 54.935 56.400 -0.044 0.000 0.827 237 E CB 2.360 32.044 29.700 -0.026 0.000 1.220 237 E HN 0.596 nan 8.360 nan 0.000 0.411 238 K N 0.585 120.863 120.400 -0.203 0.000 2.570 238 K HA 0.192 4.512 4.320 0.000 0.000 0.256 238 K C -1.546 174.835 176.600 -0.364 0.000 0.939 238 K CA -0.871 55.306 56.287 -0.184 0.000 0.833 238 K CB 1.186 33.643 32.500 -0.071 0.000 1.318 238 K HN 0.467 nan 8.250 nan 0.000 0.433 239 D N 1.454 121.751 120.400 -0.172 0.000 2.335 239 D HA 0.005 4.645 4.640 0.000 0.000 0.236 239 D C 1.513 177.750 176.300 -0.106 0.000 1.297 239 D CA 0.337 54.260 54.000 -0.130 0.000 0.906 239 D CB 0.454 41.224 40.800 -0.051 0.000 1.164 239 D HN 0.735 nan 8.370 nan 0.000 0.469 240 R N -0.413 120.073 120.500 -0.023 0.000 2.303 240 R HA 0.098 4.438 4.340 0.000 0.000 0.225 240 R C 2.330 178.664 176.300 0.057 0.000 1.114 240 R CA 2.247 58.379 56.100 0.053 0.000 1.007 240 R CB -1.889 28.439 30.300 0.047 0.000 0.861 240 R HN 0.608 nan 8.270 nan 0.000 0.471 241 L N -2.467 118.774 121.223 0.030 0.000 2.145 241 L HA 0.581 4.921 4.340 0.000 0.000 0.201 241 L C 2.391 179.291 176.870 0.050 0.000 1.075 241 L CA 1.835 56.697 54.840 0.036 0.000 0.773 241 L CB -0.857 41.216 42.059 0.025 0.000 0.936 241 L HN 1.074 nan 8.230 nan 0.000 0.451 242 G N -2.517 106.309 108.800 0.043 0.000 2.240 242 G HA2 0.353 4.313 3.960 0.000 0.000 0.181 242 G HA3 0.353 4.313 3.960 0.000 0.000 0.181 242 G C -0.016 174.925 174.900 0.068 0.000 1.028 242 G CA 0.633 45.772 45.100 0.066 0.000 0.760 242 G HN 1.433 nan 8.290 nan 0.000 0.508 243 N N 0.401 119.131 118.700 0.050 0.000 2.479 243 N HA 0.714 5.454 4.740 0.000 0.000 0.285 243 N C 0.440 176.005 175.510 0.092 0.000 1.075 243 N CA -0.290 52.804 53.050 0.073 0.000 0.967 243 N CB 0.875 39.397 38.487 0.059 0.000 1.137 243 N HN 0.470 nan 8.380 nan 0.000 0.472 244 I N 1.364 122.021 120.570 0.146 0.000 2.668 244 I HA 0.013 4.183 4.170 0.000 0.000 0.285 244 I C 0.256 176.444 176.117 0.118 0.000 1.168 244 I CA -0.383 61.029 61.300 0.187 0.000 1.424 244 I CB 0.622 38.730 38.000 0.182 0.000 1.377 244 I HN 0.305 nan 8.210 nan 0.000 0.560 245 V N 9.155 129.120 119.914 0.085 0.000 2.415 245 V HA 0.098 4.218 4.120 0.000 0.000 0.267 245 V C -1.886 174.179 176.094 -0.048 0.000 1.042 245 V CA -1.432 60.864 62.300 -0.007 0.000 1.000 245 V CB 0.062 31.878 31.823 -0.013 0.000 1.015 245 V HN 0.627 nan 8.190 nan 0.000 0.478 246 P HA -0.037 nan 4.420 nan 0.000 0.261 246 P C 0.939 178.154 177.300 -0.141 0.000 1.158 246 P CA 1.563 64.418 63.100 -0.409 0.000 0.758 246 P CB 0.250 31.502 31.700 -0.746 0.000 0.763 247 G N 2.841 111.624 108.800 -0.029 0.000 2.356 247 G HA2 -0.266 3.694 3.960 0.000 0.000 0.296 247 G HA3 -0.266 3.694 3.960 0.000 0.000 0.296 247 G C 0.550 175.473 174.900 0.038 0.000 1.022 247 G CA 0.608 45.725 45.100 0.028 0.000 0.961 247 G HN 0.667 nan 8.290 nan 0.000 0.510 248 T N -3.256 111.339 114.554 0.068 0.000 3.132 248 T HA 0.425 4.775 4.350 0.000 0.000 0.274 248 T C 0.397 175.176 174.700 0.133 0.000 1.011 248 T CA 0.090 62.241 62.100 0.085 0.000 0.899 248 T CB 0.545 69.463 68.868 0.083 0.000 1.089 248 T HN 0.524 nan 8.240 nan 0.000 0.543 249 E N 2.405 122.682 120.200 0.129 0.000 2.289 249 E HA 0.366 4.716 4.350 0.000 0.000 0.278 249 E C -0.153 176.510 176.600 0.106 0.000 1.032 249 E CA -0.426 56.060 56.400 0.142 0.000 0.854 249 E CB 0.782 30.542 29.700 0.100 0.000 1.046 249 E HN 0.670 nan 8.360 nan 0.000 0.409 250 Q N 0.571 120.438 119.800 0.112 0.000 2.345 250 Q HA 0.399 4.739 4.340 0.000 0.000 0.275 250 Q C -1.123 174.927 176.000 0.082 0.000 1.063 250 Q CA -1.011 54.840 55.803 0.081 0.000 0.819 250 Q CB 1.848 30.626 28.738 0.067 0.000 1.356 250 Q HN 0.401 nan 8.270 nan 0.000 0.418 251 V N 1.919 121.872 119.914 0.065 0.000 2.372 251 V HA 0.230 4.350 4.120 0.000 0.000 0.261 251 V C 0.662 176.788 176.094 0.052 0.000 1.055 251 V CA 0.816 63.153 62.300 0.062 0.000 0.930 251 V CB 0.732 32.586 31.823 0.051 0.000 1.031 251 V HN 0.979 nan 8.190 nan 0.000 0.479 252 S N 3.987 119.721 115.700 0.057 0.000 2.383 252 S HA -0.040 4.430 4.470 0.000 0.000 0.227 252 S C 0.966 175.588 174.600 0.037 0.000 1.026 252 S CA 1.352 59.579 58.200 0.045 0.000 0.981 252 S CB -0.143 63.086 63.200 0.048 0.000 0.818 252 S HN 0.941 nan 8.310 nan 0.000 0.472 253 Q N 0.982 120.805 119.800 0.039 0.000 2.275 253 Q HA 0.344 4.684 4.340 0.000 0.000 0.266 253 Q C -1.418 174.601 176.000 0.032 0.000 1.002 253 Q CA -0.671 55.151 55.803 0.032 0.000 0.761 253 Q CB 1.479 30.235 28.738 0.030 0.000 1.255 253 Q HN 0.309 nan 8.270 nan 0.000 0.446 254 Q N 1.710 121.525 119.800 0.026 0.000 2.361 254 Q HA 0.100 4.440 4.340 0.000 0.000 0.276 254 Q C -0.568 175.445 176.000 0.021 0.000 1.022 254 Q CA 0.575 56.392 55.803 0.024 0.000 0.898 254 Q CB 1.101 29.850 28.738 0.018 0.000 1.246 254 Q HN 0.604 nan 8.270 nan 0.000 0.410 255 T N 1.721 116.288 114.554 0.021 0.000 2.910 255 T HA 0.522 4.872 4.350 0.000 0.000 0.293 255 T C -0.644 174.061 174.700 0.009 0.000 1.015 255 T CA -0.732 61.379 62.100 0.018 0.000 1.094 255 T CB 0.515 69.395 68.868 0.021 0.000 0.968 255 T HN 0.357 nan 8.240 nan 0.000 0.521 256 V N 4.813 124.731 119.914 0.007 0.000 2.417 256 V HA 0.380 4.500 4.120 0.000 0.000 0.291 256 V C 0.048 176.140 176.094 -0.003 0.000 1.024 256 V CA -1.003 61.297 62.300 0.000 0.000 0.861 256 V CB 1.583 33.406 31.823 0.001 0.000 0.985 256 V HN 0.927 nan 8.190 nan 0.000 0.436 257 D N 2.693 123.088 120.400 -0.009 0.000 2.329 257 D HA 0.405 5.045 4.640 0.000 0.000 0.246 257 D C 0.580 176.875 176.300 -0.008 0.000 1.111 257 D CA 0.280 54.273 54.000 -0.010 0.000 0.941 257 D CB 1.688 42.481 40.800 -0.013 0.000 1.169 257 D HN 0.697 nan 8.370 nan 0.000 0.441 258 G N 0.369 109.164 108.800 -0.007 0.000 2.651 258 G HA2 0.278 4.238 3.960 0.000 0.000 0.260 258 G HA3 0.278 4.238 3.960 0.000 0.000 0.260 258 G C -0.115 174.788 174.900 0.006 0.000 1.216 258 G CA -0.397 44.701 45.100 -0.004 0.000 0.913 258 G HN 0.275 nan 8.290 nan 0.000 0.535 259 K N -0.019 120.389 120.400 0.013 0.000 2.095 259 K HA 0.285 4.605 4.320 0.000 0.000 0.252 259 K C -0.834 175.818 176.600 0.087 0.000 0.977 259 K CA -0.683 55.628 56.287 0.040 0.000 0.900 259 K CB 1.230 33.742 32.500 0.020 0.000 1.060 259 K HN 0.375 nan 8.250 nan 0.000 0.449 260 D N 1.143 121.663 120.400 0.200 0.000 2.255 260 D HA 0.171 4.811 4.640 0.000 0.000 0.249 260 D C -0.699 175.759 176.300 0.263 0.000 1.078 260 D CA -0.251 53.884 54.000 0.226 0.000 0.896 260 D CB 1.711 42.785 40.800 0.456 0.000 1.194 260 D HN 0.014 nan 8.370 nan 0.000 0.429 261 V N 3.268 123.269 119.914 0.146 0.000 2.313 261 V HA 0.118 4.238 4.120 0.000 0.000 0.278 261 V C -0.739 175.483 176.094 0.214 0.000 1.017 261 V CA -0.768 61.643 62.300 0.186 0.000 0.823 261 V CB 0.176 32.062 31.823 0.105 0.000 1.010 261 V HN 0.368 nan 8.190 nan 0.000 0.443 262 Y N 3.686 124.114 120.300 0.212 0.000 2.504 262 Y HA 0.375 4.925 4.550 0.000 0.000 0.351 262 Y C 1.422 177.428 175.900 0.178 0.000 0.988 262 Y CA -0.314 57.919 58.100 0.222 0.000 1.239 262 Y CB 0.935 39.480 38.460 0.142 0.000 1.128 262 Y HN 0.780 nan 8.280 nan 0.000 0.525 263 T N -2.269 112.467 114.554 0.303 0.000 2.729 263 T HA 0.103 4.453 4.350 0.000 0.000 0.298 263 T C 1.318 176.194 174.700 0.293 0.000 1.013 263 T CA 0.040 62.326 62.100 0.311 0.000 0.957 263 T CB 0.893 69.974 68.868 0.355 0.000 1.130 263 T HN 0.608 nan 8.240 nan 0.000 0.526 264 T N -1.584 113.154 114.554 0.307 0.000 3.081 264 T HA 0.253 4.603 4.350 0.000 0.000 0.250 264 T C 0.981 175.824 174.700 0.239 0.000 1.100 264 T CA -0.467 61.783 62.100 0.250 0.000 1.038 264 T CB -0.270 68.745 68.868 0.246 0.000 0.962 264 T HN 0.504 nan 8.240 nan 0.000 0.516 265 I N 2.847 123.583 120.570 0.276 0.000 2.710 265 I HA 0.101 4.271 4.170 0.000 0.000 0.286 265 I C 0.702 176.952 176.117 0.221 0.000 1.181 265 I CA 0.018 61.461 61.300 0.239 0.000 1.430 265 I CB 0.413 38.593 38.000 0.301 0.000 1.367 265 I HN 0.215 nan 8.210 nan 0.000 0.577 266 S N 4.283 120.085 115.700 0.171 0.000 2.464 266 S HA 0.170 4.640 4.470 0.000 0.000 0.313 266 S C 1.353 176.066 174.600 0.188 0.000 1.078 266 S CA -0.483 57.815 58.200 0.163 0.000 1.096 266 S CB 0.232 63.503 63.200 0.119 0.000 1.032 266 S HN 0.686 nan 8.310 nan 0.000 0.498 267 S N 5.708 121.584 115.700 0.293 0.000 2.392 267 S HA -0.102 4.368 4.470 0.000 0.000 0.232 267 S C -1.112 173.660 174.600 0.288 0.000 1.041 267 S CA 1.200 59.665 58.200 0.442 0.000 1.026 267 S CB -1.797 61.646 63.200 0.404 0.000 0.845 267 S HN 0.563 nan 8.310 nan 0.000 0.465 268 P HA -0.011 nan 4.420 nan 0.000 0.215 268 P C 1.518 178.893 177.300 0.124 0.000 1.153 268 P CA 0.907 64.081 63.100 0.123 0.000 0.853 268 P CB -0.123 31.621 31.700 0.073 0.000 0.788 269 L N -1.385 119.898 121.223 0.100 0.000 2.095 269 L HA -0.136 4.204 4.340 0.000 0.000 0.204 269 L C 2.699 179.600 176.870 0.051 0.000 1.080 269 L CA 1.135 56.028 54.840 0.088 0.000 0.759 269 L CB -0.868 41.205 42.059 0.022 0.000 0.914 269 L HN -0.061 nan 8.230 nan 0.000 0.439 270 Q N 0.774 120.567 119.800 -0.013 0.000 2.061 270 Q HA -0.213 4.127 4.340 0.000 0.000 0.204 270 Q C 2.354 178.248 176.000 -0.176 0.000 0.984 270 Q CA 2.604 58.279 55.803 -0.214 0.000 0.846 270 Q CB -0.328 28.091 28.738 -0.532 0.000 0.902 270 Q HN 0.518 nan 8.270 nan 0.000 0.421 271 S N -0.785 114.943 115.700 0.046 0.000 2.382 271 S HA -0.132 4.338 4.470 0.000 0.000 0.228 271 S C 1.854 176.557 174.600 0.172 0.000 1.027 271 S CA 0.982 59.286 58.200 0.173 0.000 0.991 271 S CB -0.761 62.619 63.200 0.299 0.000 0.823 271 S HN 0.464 nan 8.310 nan 0.000 0.469 272 F N 2.113 122.061 119.950 -0.003 0.000 2.186 272 F HA 0.221 4.748 4.527 0.000 0.000 0.299 272 F C 2.281 178.058 175.800 -0.038 0.000 1.090 272 F CA 1.149 59.135 58.000 -0.023 0.000 1.307 272 F CB -0.623 38.347 39.000 -0.050 0.000 1.019 272 F HN 0.268 nan 8.300 nan 0.000 0.489 273 M N -0.088 119.411 119.600 -0.168 0.000 2.213 273 M HA -0.185 4.295 4.480 0.000 0.000 0.263 273 M C 1.953 178.199 176.300 -0.090 0.000 1.062 273 M CA 1.710 56.870 55.300 -0.233 0.000 1.105 273 M CB -0.257 32.260 32.600 -0.139 0.000 1.385 273 M HN 0.026 nan 8.290 nan 0.000 0.417 274 E N -0.271 119.895 120.200 -0.058 0.000 2.047 274 E HA -0.143 4.207 4.350 0.000 0.000 0.191 274 E C 1.981 178.588 176.600 0.012 0.000 0.987 274 E CA 1.860 58.252 56.400 -0.013 0.000 0.799 274 E CB -0.739 28.962 29.700 0.002 0.000 0.752 274 E HN 0.516 nan 8.360 nan 0.000 0.449 275 T N 2.180 116.742 114.554 0.013 0.000 2.635 275 T HA -0.176 4.174 4.350 0.000 0.000 0.267 275 T C 1.840 176.540 174.700 -0.000 0.000 1.040 275 T CA 1.393 63.513 62.100 0.034 0.000 1.156 275 T CB -0.086 68.847 68.868 0.108 0.000 0.863 275 T HN 0.098 nan 8.240 nan 0.000 0.430 276 Q N 0.356 120.087 119.800 -0.115 0.000 1.993 276 Q HA -0.034 4.306 4.340 0.000 0.000 0.202 276 Q C 2.354 178.521 176.000 0.279 0.000 0.984 276 Q CA 1.251 57.051 55.803 -0.005 0.000 0.837 276 Q CB -0.747 27.806 28.738 -0.310 0.000 0.902 276 Q HN 0.421 nan 8.270 nan 0.000 0.423 277 M N 1.604 121.385 119.600 0.301 0.000 2.195 277 M HA -0.166 4.314 4.480 0.000 0.000 0.260 277 M C 0.849 177.178 176.300 0.048 0.000 1.066 277 M CA 1.560 56.921 55.300 0.103 0.000 1.089 277 M CB -0.414 32.214 32.600 0.047 0.000 1.377 277 M HN 0.014 nan 8.290 nan 0.000 0.411 278 D N -0.044 120.387 120.400 0.051 0.000 2.084 278 D HA -0.045 4.595 4.640 0.000 0.000 0.196 278 D C 2.012 178.329 176.300 0.029 0.000 0.985 278 D CA 1.973 55.986 54.000 0.023 0.000 0.826 278 D CB -0.473 40.342 40.800 0.026 0.000 0.978 278 D HN 0.473 nan 8.370 nan 0.000 0.456 279 A N 0.284 123.143 122.820 0.066 0.000 1.902 279 A HA -0.167 4.153 4.320 0.000 0.000 0.217 279 A C 2.111 179.755 177.584 0.101 0.000 1.181 279 A CA 0.975 53.054 52.037 0.070 0.000 0.623 279 A CB -0.985 18.065 19.000 0.083 0.000 0.818 279 A HN 0.234 nan 8.150 nan 0.000 0.443 280 F N 0.904 120.821 119.950 -0.055 0.000 2.095 280 F HA -0.218 4.309 4.527 0.000 0.000 0.298 280 F C 2.390 178.106 175.800 -0.140 0.000 1.104 280 F CA 2.194 60.120 58.000 -0.123 0.000 1.232 280 F CB -0.702 38.110 39.000 -0.313 0.000 0.987 280 F HN 0.377 nan 8.300 nan 0.000 0.475 281 Q N 0.634 120.322 119.800 -0.187 0.000 2.119 281 Q HA -0.229 4.111 4.340 0.000 0.000 0.201 281 Q C 2.064 177.953 176.000 -0.185 0.000 0.972 281 Q CA 1.997 57.644 55.803 -0.260 0.000 0.847 281 Q CB -0.520 28.125 28.738 -0.154 0.000 0.903 281 Q HN 0.435 nan 8.270 nan 0.000 0.433 282 E N 0.073 120.208 120.200 -0.108 0.000 2.153 282 E HA -0.168 4.182 4.350 0.000 0.000 0.194 282 E C 1.254 177.788 176.600 -0.110 0.000 0.988 282 E CA 1.538 57.887 56.400 -0.085 0.000 0.811 282 E CB 0.079 29.751 29.700 -0.046 0.000 0.746 282 E HN 0.484 nan 8.360 nan 0.000 0.466 283 K N -0.353 119.970 120.400 -0.128 0.000 1.992 283 K HA -0.018 4.302 4.320 0.000 0.000 0.210 283 K C 2.195 178.692 176.600 -0.173 0.000 1.036 283 K CA 1.324 57.525 56.287 -0.144 0.000 0.946 283 K CB -0.536 31.908 32.500 -0.092 0.000 0.742 283 K HN 0.163 nan 8.250 nan 0.000 0.442 284 V N -0.301 119.458 119.914 -0.259 0.000 2.759 284 V HA -0.124 3.996 4.120 0.000 0.000 0.256 284 V C 0.119 176.136 176.094 -0.127 0.000 1.080 284 V CA 0.456 62.632 62.300 -0.206 0.000 1.101 284 V CB -1.066 30.520 31.823 -0.395 0.000 0.698 284 V HN 0.240 nan 8.190 nan 0.000 0.477 285 K N 0.545 120.843 120.400 -0.171 0.000 4.418 285 K HA -0.113 4.207 4.320 0.000 0.000 0.285 285 K C 0.465 176.984 176.600 -0.135 0.000 0.874 285 K CA 0.818 57.030 56.287 -0.125 0.000 0.844 285 K CB -2.598 29.874 32.500 -0.047 0.000 1.691 285 K HN 1.451 nan 8.250 nan 0.000 0.433 286 G N -0.463 108.224 108.800 -0.188 0.000 2.410 286 G HA2 0.555 4.515 3.960 0.000 0.000 0.330 286 G HA3 0.555 4.515 3.960 0.000 0.000 0.330 286 G C 1.102 175.875 174.900 -0.212 0.000 1.142 286 G CA -0.190 44.804 45.100 -0.176 0.000 0.902 286 G HN 0.608 nan 8.290 nan 0.000 0.491 287 K N 0.197 120.441 120.400 -0.259 0.000 2.044 287 K HA -0.031 4.289 4.320 0.000 0.000 0.210 287 K C 0.297 176.488 176.600 -0.681 0.000 1.049 287 K CA 1.294 57.286 56.287 -0.492 0.000 0.927 287 K CB -0.642 31.523 32.500 -0.558 0.000 0.713 287 K HN 0.570 nan 8.250 nan 0.000 0.443 288 Y N -1.073 119.160 120.300 -0.112 0.000 2.406 288 Y HA 0.614 5.164 4.550 0.000 0.000 0.340 288 Y C -0.013 175.800 175.900 -0.144 0.000 0.975 288 Y CA -1.830 56.194 58.100 -0.128 0.000 1.056 288 Y CB 2.075 40.454 38.460 -0.135 0.000 1.210 288 Y HN 0.066 nan 8.280 nan 0.000 0.448 289 M N 2.173 121.785 119.600 0.019 0.000 2.602 289 M HA 0.665 5.146 4.480 0.000 0.000 0.312 289 M C -0.875 175.385 176.300 -0.067 0.000 1.181 289 M CA -0.500 54.760 55.300 -0.067 0.000 0.910 289 M CB 2.263 34.792 32.600 -0.118 0.000 1.723 289 M HN 0.646 nan 8.290 nan 0.000 0.459 290 T N 1.446 115.944 114.554 -0.092 0.000 3.193 290 T HA 0.738 5.088 4.350 0.000 0.000 0.332 290 T C -1.668 172.985 174.700 -0.077 0.000 1.208 290 T CA -0.649 61.396 62.100 -0.091 0.000 1.080 290 T CB 2.022 70.814 68.868 -0.127 0.000 1.180 290 T HN 0.799 nan 8.240 nan 0.000 0.469 291 A N 2.298 125.106 122.820 -0.020 0.000 2.459 291 A HA 0.815 5.135 4.320 0.000 0.000 0.296 291 A C -0.700 176.912 177.584 0.046 0.000 1.039 291 A CA -0.713 51.359 52.037 0.058 0.000 0.698 291 A CB 1.629 20.770 19.000 0.235 0.000 1.261 291 A HN 0.633 nan 8.150 nan 0.000 0.405 292 T N 2.521 117.119 114.554 0.074 0.000 2.937 292 T HA 0.485 4.835 4.350 0.000 0.000 0.297 292 T C -1.099 173.653 174.700 0.087 0.000 0.991 292 T CA -0.301 61.831 62.100 0.054 0.000 0.990 292 T CB 1.099 70.011 68.868 0.074 0.000 0.991 292 T HN 0.752 nan 8.240 nan 0.000 0.440 293 L N 4.956 126.207 121.223 0.047 0.000 2.289 293 L HA 0.822 5.162 4.340 0.000 0.000 0.285 293 L C -0.963 175.972 176.870 0.109 0.000 1.049 293 L CA -0.279 54.605 54.840 0.072 0.000 0.804 293 L CB 1.034 43.101 42.059 0.014 0.000 1.195 293 L HN 0.470 nan 8.230 nan 0.000 0.428 294 V N 3.363 123.371 119.914 0.157 0.000 2.823 294 V HA 0.414 4.534 4.120 0.000 0.000 0.312 294 V C -0.139 176.063 176.094 0.179 0.000 1.072 294 V CA -0.725 61.669 62.300 0.157 0.000 0.937 294 V CB 2.107 34.014 31.823 0.140 0.000 1.013 294 V HN 0.799 nan 8.190 nan 0.000 0.430 295 S N 3.128 118.914 115.700 0.143 0.000 2.701 295 S HA 0.330 4.800 4.470 0.000 0.000 0.317 295 S C 1.459 176.066 174.600 0.011 0.000 1.149 295 S CA 0.049 58.291 58.200 0.070 0.000 1.052 295 S CB 0.348 63.588 63.200 0.067 0.000 1.257 295 S HN 1.070 nan 8.310 nan 0.000 0.532 296 A N 5.690 128.492 122.820 -0.030 0.000 1.985 296 A HA -0.216 4.104 4.320 0.000 0.000 0.223 296 A C 2.017 179.584 177.584 -0.028 0.000 1.189 296 A CA 1.959 53.980 52.037 -0.026 0.000 0.658 296 A CB -0.441 18.517 19.000 -0.070 0.000 0.820 296 A HN 0.836 nan 8.150 nan 0.000 0.464 297 K N -1.477 118.886 120.400 -0.061 0.000 2.444 297 K HA 0.023 4.343 4.320 0.000 0.000 0.193 297 K C 1.347 177.943 176.600 -0.007 0.000 1.024 297 K CA 1.172 57.436 56.287 -0.039 0.000 1.077 297 K CB 0.117 32.579 32.500 -0.064 0.000 0.833 297 K HN 0.776 nan 8.250 nan 0.000 0.517 298 T N -5.729 108.830 114.554 0.009 0.000 3.028 298 T HA 0.193 4.543 4.350 0.000 0.000 0.262 298 T C 1.336 176.067 174.700 0.052 0.000 0.916 298 T CA 0.337 62.456 62.100 0.030 0.000 0.873 298 T CB 0.865 69.753 68.868 0.032 0.000 1.232 298 T HN 0.151 nan 8.240 nan 0.000 0.529 299 G N 1.953 110.789 108.800 0.061 0.000 2.159 299 G HA2 -0.228 3.732 3.960 0.000 0.000 0.256 299 G HA3 -0.228 3.732 3.960 0.000 0.000 0.256 299 G C -0.273 174.696 174.900 0.116 0.000 0.977 299 G CA 0.137 45.287 45.100 0.084 0.000 0.652 299 G HN 0.716 nan 8.290 nan 0.000 0.531 300 E N 0.070 120.339 120.200 0.115 0.000 2.360 300 E HA 0.379 4.729 4.350 0.000 0.000 0.269 300 E C 0.597 177.294 176.600 0.163 0.000 1.022 300 E CA -0.358 56.131 56.400 0.149 0.000 0.887 300 E CB 1.083 30.863 29.700 0.133 0.000 0.990 300 E HN 0.400 nan 8.360 nan 0.000 0.426 301 I N 4.573 125.263 120.570 0.199 0.000 2.421 301 I HA -0.070 4.100 4.170 0.000 0.000 0.291 301 I C 1.232 177.430 176.117 0.135 0.000 1.089 301 I CA 0.087 61.474 61.300 0.146 0.000 1.354 301 I CB 0.315 38.389 38.000 0.123 0.000 1.413 301 I HN 0.517 nan 8.210 nan 0.000 0.513 302 L N 6.278 127.568 121.223 0.112 0.000 2.162 302 L HA 0.233 4.573 4.340 0.000 0.000 0.205 302 L C 0.949 177.849 176.870 0.050 0.000 1.086 302 L CA 0.466 55.372 54.840 0.109 0.000 0.778 302 L CB -0.139 41.998 42.059 0.129 0.000 0.928 302 L HN 0.725 nan 8.230 nan 0.000 0.446 303 A N -1.338 121.478 122.820 -0.008 0.000 2.594 303 A HA 0.668 4.988 4.320 0.000 0.000 0.295 303 A C -0.809 176.702 177.584 -0.122 0.000 1.071 303 A CA -0.275 51.713 52.037 -0.082 0.000 0.685 303 A CB 1.982 20.933 19.000 -0.082 0.000 1.285 303 A HN -0.118 nan 8.150 nan 0.000 0.405 304 T N -0.272 114.171 114.554 -0.186 0.000 2.957 304 T HA 0.717 5.067 4.350 0.000 0.000 0.336 304 T C -1.161 173.441 174.700 -0.163 0.000 1.462 304 T CA 0.470 62.454 62.100 -0.194 0.000 1.073 304 T CB 1.699 70.341 68.868 -0.378 0.000 1.319 304 T HN 1.969 nan 8.240 nan 0.000 0.485 305 T N 2.104 116.600 114.554 -0.098 0.000 2.827 305 T HA 0.642 4.993 4.350 0.000 0.000 0.328 305 T C -2.234 172.434 174.700 -0.052 0.000 1.598 305 T CA -0.449 61.605 62.100 -0.076 0.000 1.043 305 T CB 1.715 70.537 68.868 -0.076 0.000 1.447 305 T HN 1.013 nan 8.240 nan 0.000 0.491 306 Q N 2.015 121.784 119.800 -0.052 0.000 2.511 306 Q HA 0.792 5.132 4.340 0.000 0.000 0.289 306 Q C -1.610 174.371 176.000 -0.031 0.000 1.021 306 Q CA -1.262 54.515 55.803 -0.043 0.000 0.785 306 Q CB 1.786 30.499 28.738 -0.042 0.000 1.472 306 Q HN 0.431 nan 8.270 nan 0.000 0.411 307 R N 0.946 121.439 120.500 -0.011 0.000 2.628 307 R HA 0.532 4.872 4.340 0.000 0.000 0.288 307 R C -2.755 173.585 176.300 0.067 0.000 0.980 307 R CA -2.053 54.050 56.100 0.005 0.000 0.891 307 R CB 1.663 31.940 30.300 -0.039 0.000 1.188 307 R HN 0.591 nan 8.270 nan 0.000 0.450 308 P HA 0.144 nan 4.420 nan 0.000 0.269 308 P C -0.237 177.164 177.300 0.170 0.000 1.217 308 P CA 0.238 63.411 63.100 0.122 0.000 0.783 308 P CB 0.715 32.520 31.700 0.175 0.000 0.898 309 T N 0.118 114.750 114.554 0.130 0.000 2.550 309 T HA 0.819 5.169 4.350 0.000 0.000 0.256 309 T C -0.821 173.852 174.700 -0.045 0.000 0.866 309 T CA -0.360 61.719 62.100 -0.035 0.000 1.163 309 T CB 0.668 69.442 68.868 -0.156 0.000 1.460 309 T HN 0.500 nan 8.240 nan 0.000 0.498 310 F N -1.199 118.666 119.950 -0.142 0.000 2.793 310 F HA 0.544 5.071 4.527 0.000 0.000 0.316 310 F C -2.205 173.529 175.800 -0.109 0.000 1.147 310 F CA -1.301 56.578 58.000 -0.202 0.000 0.930 310 F CB 0.526 39.273 39.000 -0.422 0.000 1.277 310 F HN 0.447 nan 8.300 nan 0.000 0.443 311 D N 1.777 122.313 120.400 0.227 0.000 2.339 311 D HA 0.444 5.084 4.640 0.000 0.000 0.241 311 D C 1.069 177.525 176.300 0.260 0.000 1.183 311 D CA 0.541 54.633 54.000 0.153 0.000 0.859 311 D CB 1.948 42.805 40.800 0.096 0.000 1.067 311 D HN 0.900 nan 8.370 nan 0.000 0.484 312 A N 4.082 127.021 122.820 0.200 0.000 2.024 312 A HA -0.221 4.099 4.320 0.000 0.000 0.220 312 A C 1.736 179.285 177.584 -0.057 0.000 1.164 312 A CA 1.592 53.666 52.037 0.062 0.000 0.643 312 A CB -0.107 18.778 19.000 -0.193 0.000 0.806 312 A HN 0.633 nan 8.150 nan 0.000 0.451 313 D N -0.760 119.698 120.400 0.096 0.000 2.113 313 D HA -0.111 4.529 4.640 0.000 0.000 0.206 313 D C 2.206 178.561 176.300 0.090 0.000 0.979 313 D CA 2.397 56.486 54.000 0.149 0.000 0.862 313 D CB -0.278 40.604 40.800 0.137 0.000 1.013 313 D HN 0.399 nan 8.370 nan 0.000 0.455 314 T N -1.999 112.596 114.554 0.069 0.000 3.160 314 T HA 0.011 4.361 4.350 0.000 0.000 0.257 314 T C 0.690 175.400 174.700 0.018 0.000 1.147 314 T CA 0.320 62.445 62.100 0.042 0.000 1.064 314 T CB -0.140 68.751 68.868 0.038 0.000 0.949 314 T HN 0.125 nan 8.240 nan 0.000 0.526 315 K N -0.614 119.794 120.400 0.013 0.000 3.130 315 K HA -0.256 4.064 4.320 0.000 0.000 0.282 315 K C 1.139 177.702 176.600 -0.062 0.000 1.145 315 K CA 1.268 57.514 56.287 -0.067 0.000 0.831 315 K CB -2.590 29.851 32.500 -0.098 0.000 1.226 315 K HN 0.795 nan 8.250 nan 0.000 0.478 316 E N 0.679 120.882 120.200 0.004 0.000 2.049 316 E HA -0.142 4.208 4.350 0.000 0.000 0.198 316 E C 2.255 178.842 176.600 -0.022 0.000 1.007 316 E CA 2.008 58.409 56.400 0.001 0.000 0.809 316 E CB -0.825 28.891 29.700 0.026 0.000 0.749 316 E HN 0.610 nan 8.360 nan 0.000 0.450 317 G N -0.300 108.499 108.800 -0.001 0.000 2.744 317 G HA2 0.270 4.230 3.960 0.000 0.000 0.211 317 G HA3 0.270 4.230 3.960 0.000 0.000 0.211 317 G C 0.780 175.559 174.900 -0.201 0.000 1.143 317 G CA 0.190 45.269 45.100 -0.035 0.000 0.788 317 G HN 0.510 nan 8.290 nan 0.000 0.534 318 I N 2.289 122.668 120.570 -0.318 0.000 2.471 318 I HA 0.272 4.442 4.170 0.000 0.000 0.286 318 I C 0.904 176.964 176.117 -0.095 0.000 1.079 318 I CA -0.119 60.952 61.300 -0.382 0.000 1.398 318 I CB 1.053 38.832 38.000 -0.369 0.000 1.403 318 I HN 0.078 nan 8.210 nan 0.000 0.530 319 T N 0.639 115.211 114.554 0.030 0.000 2.742 319 T HA 0.462 4.812 4.350 0.000 0.000 0.282 319 T C 0.785 175.572 174.700 0.146 0.000 1.025 319 T CA -0.055 62.094 62.100 0.083 0.000 1.020 319 T CB 1.493 70.412 68.868 0.086 0.000 1.317 319 T HN 0.539 nan 8.240 nan 0.000 0.538 320 E N -0.349 119.918 120.200 0.112 0.000 2.418 320 E HA 0.024 4.374 4.350 0.000 0.000 0.197 320 E C 1.024 177.705 176.600 0.135 0.000 1.026 320 E CA 1.329 57.800 56.400 0.118 0.000 0.862 320 E CB -0.859 nan 29.700 nan 0.000 0.799 320 E HN 0.775 nan 8.360 nan 0.000 0.518 321 D N -1.949 118.530 120.400 0.133 0.000 2.433 321 D HA 0.187 4.827 4.640 0.000 0.000 0.211 321 D C -0.080 176.284 176.300 0.108 0.000 1.114 321 D CA -0.588 53.477 54.000 0.107 0.000 0.837 321 D CB -0.073 40.768 40.800 0.069 0.000 0.984 321 D HN 0.399 nan 8.370 nan 0.000 0.505 322 F N 1.964 121.909 119.950 -0.008 0.000 2.608 322 F HA 0.058 4.585 4.527 0.000 0.000 0.380 322 F C 0.067 175.752 175.800 -0.192 0.000 1.083 322 F CA -0.379 57.542 58.000 -0.131 0.000 1.266 322 F CB 0.530 39.388 39.000 -0.237 0.000 1.076 322 F HN -0.318 nan 8.300 nan 0.000 0.574 323 V N 7.347 126.663 119.914 -0.995 0.000 2.432 323 V HA -0.047 4.073 4.120 0.000 0.000 0.271 323 V C -0.543 174.976 176.094 -0.958 0.000 1.046 323 V CA -0.558 61.332 62.300 -0.683 0.000 0.945 323 V CB 0.535 32.113 31.823 -0.408 0.000 0.992 323 V HN 0.802 nan 8.190 nan 0.000 0.471 324 W N 5.544 126.694 121.300 -0.249 0.000 1.611 324 W HA 0.486 5.146 4.660 0.000 0.000 0.395 324 W C 0.637 177.090 176.519 -0.110 0.000 0.698 324 W CA -0.494 56.797 57.345 -0.090 0.000 1.845 324 W CB 0.073 29.562 29.460 0.049 0.000 1.818 324 W HN 0.317 nan 8.180 nan 0.000 0.270 325 R N 1.236 121.675 120.500 -0.102 0.000 2.628 325 R HA 0.188 4.528 4.340 0.000 0.000 0.288 325 R C -1.135 175.029 176.300 -0.227 0.000 0.980 325 R CA -0.809 55.191 56.100 -0.167 0.000 0.891 325 R CB 1.989 32.167 30.300 -0.204 0.000 1.188 325 R HN 0.015 nan 8.270 nan 0.000 0.450 326 D N 3.809 124.018 120.400 -0.318 0.000 2.443 326 D HA 0.194 4.834 4.640 0.000 0.000 0.221 326 D C 1.427 177.504 176.300 -0.371 0.000 1.097 326 D CA -0.350 53.482 54.000 -0.281 0.000 0.865 326 D CB 0.818 41.466 40.800 -0.253 0.000 1.034 326 D HN 0.490 nan 8.370 nan 0.000 0.511 327 I N 3.032 123.449 120.570 -0.256 0.000 2.381 327 I HA -0.300 3.870 4.170 0.000 0.000 0.255 327 I C 2.264 178.307 176.117 -0.124 0.000 1.140 327 I CA 0.491 61.651 61.300 -0.233 0.000 1.404 327 I CB -0.158 37.698 38.000 -0.239 0.000 1.075 327 I HN 0.399 nan 8.210 nan 0.000 0.433 328 L N 1.167 122.374 121.223 -0.027 0.000 2.081 328 L HA -0.236 4.104 4.340 0.000 0.000 0.212 328 L C 1.863 178.867 176.870 0.223 0.000 1.080 328 L CA 2.084 57.009 54.840 0.142 0.000 0.754 328 L CB -0.423 41.810 42.059 0.290 0.000 0.893 328 L HN 0.569 nan 8.230 nan 0.000 0.433 329 Y N -4.104 116.212 120.300 0.027 0.000 2.795 329 Y HA 0.445 4.995 4.550 0.000 0.000 0.274 329 Y C 0.416 176.242 175.900 -0.123 0.000 1.035 329 Y CA -0.782 57.327 58.100 0.016 0.000 1.252 329 Y CB -0.865 37.671 38.460 0.127 0.000 1.399 329 Y HN 0.171 nan 8.280 nan 0.000 0.579 330 Q N 1.610 120.988 119.800 -0.702 0.000 2.462 330 Q HA 0.492 4.832 4.340 0.000 0.000 0.395 330 Q C -0.678 174.910 176.000 -0.687 0.000 0.911 330 Q CA -0.323 54.781 55.803 -1.165 0.000 1.112 330 Q CB 1.302 29.384 28.738 -1.093 0.000 1.350 330 Q HN 0.234 nan 8.270 nan 0.000 0.407 331 S N 0.971 116.631 115.700 -0.066 0.000 2.605 331 S HA 0.324 4.794 4.470 0.000 0.000 0.279 331 S C -1.704 173.142 174.600 0.410 0.000 1.166 331 S CA -0.727 57.609 58.200 0.227 0.000 0.975 331 S CB 0.733 63.911 63.200 -0.036 0.000 1.111 331 S HN 0.293 nan 8.310 nan 0.000 0.465 332 N N 3.920 122.850 118.700 0.383 0.000 2.426 332 N HA 0.571 5.311 4.740 0.000 0.000 0.275 332 N C -0.897 174.791 175.510 0.298 0.000 1.019 332 N CA -0.071 53.145 53.050 0.277 0.000 0.941 332 N CB 1.226 39.776 38.487 0.105 0.000 1.123 332 N HN 0.727 nan 8.380 nan 0.000 0.486 333 Y N -1.459 118.870 120.300 0.048 0.000 2.689 333 Y HA 0.476 5.026 4.550 0.000 0.000 0.333 333 Y C -0.831 175.074 175.900 0.009 0.000 1.190 333 Y CA -1.360 56.755 58.100 0.025 0.000 1.063 333 Y CB 0.839 39.312 38.460 0.023 0.000 1.294 333 Y HN 0.207 nan 8.280 nan 0.000 0.466 334 E N 3.849 124.039 120.200 -0.015 0.000 2.046 334 E HA 0.199 4.549 4.350 0.000 0.000 0.279 334 E C -1.955 174.589 176.600 -0.094 0.000 0.989 334 E CA -2.060 54.259 56.400 -0.136 0.000 0.798 334 E CB 1.293 30.949 29.700 -0.073 0.000 1.086 334 E HN 0.494 nan 8.360 nan 0.000 0.399 335 P HA -0.241 nan 4.420 nan 0.000 0.217 335 P C 0.843 178.194 177.300 0.084 0.000 1.151 335 P CA 1.701 64.769 63.100 -0.055 0.000 0.849 335 P CB 0.335 31.917 31.700 -0.196 0.000 0.787 336 G N -0.767 108.032 108.800 -0.002 0.000 2.527 336 G HA2 -0.254 3.706 3.960 0.000 0.000 0.227 336 G HA3 -0.254 3.706 3.960 0.000 0.000 0.227 336 G C 0.923 175.870 174.900 0.078 0.000 1.291 336 G CA 0.182 45.300 45.100 0.030 0.000 0.904 336 G HN 0.151 nan 8.290 nan 0.000 0.577 337 S N 0.535 116.287 115.700 0.086 0.000 2.469 337 S HA -0.108 4.362 4.470 0.000 0.000 0.238 337 S C 2.562 177.230 174.600 0.113 0.000 0.998 337 S CA 2.533 60.789 58.200 0.093 0.000 0.957 337 S CB -0.611 62.602 63.200 0.021 0.000 0.764 337 S HN 1.535 nan 8.310 nan 0.000 0.514 338 T N 0.132 114.785 114.554 0.165 0.000 2.881 338 T HA -0.052 4.298 4.350 0.000 0.000 0.270 338 T C 1.601 176.435 174.700 0.223 0.000 1.068 338 T CA 1.104 63.361 62.100 0.262 0.000 1.131 338 T CB -0.418 68.727 68.868 0.462 0.000 0.871 338 T HN 0.290 nan 8.240 nan 0.000 0.479 339 M N 1.604 121.265 119.600 0.103 0.000 2.279 339 M HA 0.092 4.572 4.480 0.000 0.000 0.264 339 M C 1.893 178.239 176.300 0.076 0.000 1.062 339 M CA 1.310 56.615 55.300 0.007 0.000 1.099 339 M CB -0.620 31.935 32.600 -0.075 0.000 1.394 339 M HN 0.091 nan 8.290 nan 0.000 0.426 340 K N -0.858 119.619 120.400 0.128 0.000 2.362 340 K HA -0.122 4.198 4.320 0.000 0.000 0.202 340 K C 1.664 178.400 176.600 0.227 0.000 1.045 340 K CA 1.268 57.653 56.287 0.164 0.000 0.936 340 K CB -0.405 32.216 32.500 0.201 0.000 0.747 340 K HN 0.295 nan 8.250 nan 0.000 0.467 341 V N 0.647 120.707 119.914 0.242 0.000 2.453 341 V HA -0.214 3.906 4.120 0.000 0.000 0.247 341 V C 1.993 178.123 176.094 0.060 0.000 1.048 341 V CA 1.439 63.874 62.300 0.224 0.000 1.049 341 V CB -0.275 31.724 31.823 0.294 0.000 0.672 341 V HN 0.274 nan 8.190 nan 0.000 0.457 342 M N -1.213 118.386 119.600 -0.001 0.000 2.349 342 M HA -0.002 4.478 4.480 0.000 0.000 0.266 342 M C 1.922 178.302 176.300 0.133 0.000 1.076 342 M CA 1.553 56.781 55.300 -0.119 0.000 1.126 342 M CB -0.755 31.598 32.600 -0.412 0.000 1.392 342 M HN 0.342 nan 8.290 nan 0.000 0.440 343 M N -0.067 119.575 119.600 0.069 0.000 2.077 343 M HA -0.100 4.380 4.480 0.000 0.000 0.261 343 M C 1.858 178.003 176.300 -0.260 0.000 1.070 343 M CA 1.668 56.827 55.300 -0.234 0.000 1.125 343 M CB -0.800 31.555 32.600 -0.408 0.000 1.339 343 M HN 0.251 nan 8.290 nan 0.000 0.409 344 L N 0.569 121.628 121.223 -0.273 0.000 2.042 344 L HA -0.053 4.287 4.340 0.000 0.000 0.210 344 L C 2.269 178.882 176.870 -0.428 0.000 1.076 344 L CA 2.383 56.916 54.840 -0.513 0.000 0.749 344 L CB -1.470 40.112 42.059 -0.796 0.000 0.893 344 L HN 0.365 nan 8.230 nan 0.000 0.432 345 A N -0.515 122.177 122.820 -0.213 0.000 1.898 345 A HA -0.051 4.269 4.320 0.000 0.000 0.216 345 A C 2.474 179.986 177.584 -0.119 0.000 1.181 345 A CA 1.842 53.824 52.037 -0.092 0.000 0.620 345 A CB -1.202 17.864 19.000 0.109 0.000 0.819 345 A HN 0.592 nan 8.150 nan 0.000 0.442 346 A N 0.029 122.767 122.820 -0.136 0.000 1.883 346 A HA 0.101 4.421 4.320 0.000 0.000 0.217 346 A C 2.543 179.794 177.584 -0.554 0.000 1.186 346 A CA 2.432 54.112 52.037 -0.595 0.000 0.624 346 A CB -1.203 17.593 19.000 -0.340 0.000 0.822 346 A HN 1.084 nan 8.150 nan 0.000 0.444 347 A N 0.197 122.810 122.820 -0.346 0.000 1.841 347 A HA -0.163 4.157 4.320 0.000 0.000 0.216 347 A C 2.114 179.613 177.584 -0.143 0.000 1.199 347 A CA 1.718 53.613 52.037 -0.237 0.000 0.621 347 A CB -0.869 17.978 19.000 -0.255 0.000 0.835 347 A HN 0.518 nan 8.150 nan 0.000 0.445 348 I N -0.288 120.162 120.570 -0.200 0.000 2.236 348 I HA -0.314 3.856 4.170 0.000 0.000 0.249 348 I C 2.276 178.381 176.117 -0.021 0.000 1.102 348 I CA 2.171 63.423 61.300 -0.079 0.000 1.365 348 I CB -0.566 37.344 38.000 -0.150 0.000 1.051 348 I HN 0.509 nan 8.210 nan 0.000 0.420 349 D N 1.016 121.386 120.400 -0.050 0.000 2.123 349 D HA -0.223 4.417 4.640 0.000 0.000 0.200 349 D C 1.882 178.240 176.300 0.096 0.000 0.976 349 D CA 1.143 55.165 54.000 0.036 0.000 0.831 349 D CB -0.088 40.764 40.800 0.086 0.000 0.974 349 D HN 0.146 nan 8.370 nan 0.000 0.469 350 N N 0.131 118.876 118.700 0.075 0.000 2.550 350 N HA -0.157 4.583 4.740 0.000 0.000 0.186 350 N C -0.207 175.353 175.510 0.082 0.000 1.110 350 N CA 0.524 53.666 53.050 0.153 0.000 0.912 350 N CB -0.160 38.431 38.487 0.174 0.000 0.968 350 N HN 0.109 nan 8.380 nan 0.000 0.448 351 N N -1.394 117.339 118.700 0.054 0.000 2.758 351 N HA -0.163 4.577 4.740 0.000 0.000 0.248 351 N C -1.113 174.415 175.510 0.030 0.000 1.076 351 N CA 1.146 54.225 53.050 0.048 0.000 0.696 351 N CB -1.678 36.836 38.487 0.045 0.000 0.979 351 N HN 0.184 nan 8.380 nan 0.000 0.550 352 T N 0.578 115.145 114.554 0.021 0.000 3.448 352 T HA 0.268 4.618 4.350 0.000 0.000 0.271 352 T C -1.160 173.530 174.700 -0.016 0.000 1.002 352 T CA -0.207 61.880 62.100 -0.021 0.000 0.995 352 T CB -0.330 68.518 68.868 -0.033 0.000 1.153 352 T HN 0.316 nan 8.240 nan 0.000 0.510 353 F N 4.130 123.975 119.950 -0.174 0.000 2.810 353 F HA 0.440 4.967 4.527 0.000 0.000 0.373 353 F C -2.527 173.188 175.800 -0.142 0.000 1.174 353 F CA -2.458 55.409 58.000 -0.223 0.000 1.141 353 F CB 1.678 40.559 39.000 -0.198 0.000 1.420 353 F HN -0.076 nan 8.300 nan 0.000 0.518 354 P HA 0.254 nan 4.420 nan 0.000 0.241 354 P C 0.840 177.778 177.300 -0.602 0.000 1.780 354 P CA -0.023 62.820 63.100 -0.427 0.000 1.111 354 P CB 0.948 32.536 31.700 -0.187 0.000 1.852 355 G N 3.002 111.267 108.800 -0.893 0.000 2.469 355 G HA2 -0.257 3.703 3.960 0.000 0.000 0.219 355 G HA3 -0.257 3.703 3.960 0.000 0.000 0.219 355 G C 1.452 176.254 174.900 -0.163 0.000 1.150 355 G CA 0.873 45.559 45.100 -0.691 0.000 0.763 355 G HN 0.509 nan 8.290 nan 0.000 0.561 356 G N -0.234 108.510 108.800 -0.093 0.000 2.623 356 G HA2 0.104 4.064 3.960 0.000 0.000 0.214 356 G HA3 0.104 4.064 3.960 0.000 0.000 0.214 356 G C 0.678 175.578 174.900 0.001 0.000 1.138 356 G CA 0.294 45.382 45.100 -0.021 0.000 0.794 356 G HN 0.538 nan 8.290 nan 0.000 0.535 357 E N 0.373 120.598 120.200 0.041 0.000 2.415 357 E HA 0.253 4.603 4.350 0.000 0.000 0.262 357 E C -0.484 176.132 176.600 0.026 0.000 1.038 357 E CA -0.335 56.119 56.400 0.090 0.000 0.921 357 E CB 0.784 30.607 29.700 0.205 0.000 0.950 357 E HN -0.041 nan 8.360 nan 0.000 0.438 358 V N 4.606 124.502 119.914 -0.029 0.000 2.713 358 V HA 0.499 4.619 4.120 0.000 0.000 0.307 358 V C -0.267 175.758 176.094 -0.116 0.000 1.052 358 V CA -0.467 61.752 62.300 -0.137 0.000 0.967 358 V CB 0.939 32.676 31.823 -0.143 0.000 1.019 358 V HN 0.623 nan 8.190 nan 0.000 0.459 359 F N 0.264 119.948 119.950 -0.444 0.000 2.692 359 F HA 0.562 5.089 4.527 0.000 0.000 0.320 359 F C -0.727 174.937 175.800 -0.227 0.000 1.123 359 F CA -1.583 56.214 58.000 -0.338 0.000 0.961 359 F CB 1.862 40.557 39.000 -0.510 0.000 1.383 359 F HN 0.433 nan 8.300 nan 0.000 0.483 360 N N 0.359 118.947 118.700 -0.187 0.000 2.469 360 N HA 0.263 5.003 4.740 0.000 0.000 0.253 360 N C -0.131 175.300 175.510 -0.131 0.000 0.970 360 N CA -0.273 52.629 53.050 -0.248 0.000 0.940 360 N CB 1.207 39.631 38.487 -0.104 0.000 1.128 360 N HN 0.828 nan 8.380 nan 0.000 0.503 361 S N 1.336 116.866 115.700 -0.282 0.000 2.954 361 S HA -0.001 4.469 4.470 0.000 0.000 0.234 361 S C 0.364 174.947 174.600 -0.028 0.000 0.978 361 S CA -0.604 57.565 58.200 -0.053 0.000 1.045 361 S CB -0.713 62.424 63.200 -0.105 0.000 0.807 361 S HN 0.472 nan 8.310 nan 0.000 0.508 362 S N 0.037 115.721 115.700 -0.027 0.000 2.693 362 S HA 0.686 5.156 4.470 0.000 0.000 0.276 362 S C 0.390 174.996 174.600 0.011 0.000 1.192 362 S CA -0.398 57.788 58.200 -0.024 0.000 0.994 362 S CB 0.092 63.272 63.200 -0.034 0.000 1.012 362 S HN 0.810 nan 8.310 nan 0.000 0.550 363 E N -0.081 120.122 120.200 0.005 0.000 2.721 363 E HA 0.122 4.472 4.350 0.000 0.000 0.284 363 E C -0.485 176.138 176.600 0.039 0.000 1.053 363 E CA 0.300 56.712 56.400 0.020 0.000 1.015 363 E CB -0.176 29.534 29.700 0.016 0.000 1.051 363 E HN 0.689 nan 8.360 nan 0.000 0.465 364 L N 1.400 122.652 121.223 0.049 0.000 2.482 364 L HA 0.433 4.773 4.340 0.000 0.000 0.269 364 L C -0.928 175.978 176.870 0.060 0.000 0.967 364 L CA -0.790 54.087 54.840 0.061 0.000 0.851 364 L CB 1.693 43.798 42.059 0.076 0.000 1.242 364 L HN 0.500 nan 8.230 nan 0.000 0.404 365 K N 6.265 126.695 120.400 0.051 0.000 2.201 365 K HA 0.702 5.022 4.320 0.000 0.000 0.278 365 K C -0.204 176.425 176.600 0.048 0.000 1.027 365 K CA -0.217 56.098 56.287 0.047 0.000 0.909 365 K CB 1.727 34.249 32.500 0.036 0.000 1.062 365 K HN 0.594 nan 8.250 nan 0.000 0.465 366 I N 2.229 122.829 120.570 0.050 0.000 2.517 366 I HA 0.437 4.607 4.170 0.000 0.000 0.280 366 I C 0.543 176.683 176.117 0.039 0.000 1.061 366 I CA -0.307 61.021 61.300 0.046 0.000 1.091 366 I CB 1.052 39.085 38.000 0.056 0.000 1.205 366 I HN 0.942 nan 8.210 nan 0.000 0.459 367 A N 5.783 128.622 122.820 0.031 0.000 5.351 367 A HA -0.339 3.981 4.320 0.000 0.000 0.289 367 A C 0.879 178.478 177.584 0.025 0.000 2.064 367 A CA 1.592 53.644 52.037 0.025 0.000 0.716 367 A CB -1.366 17.648 19.000 0.024 0.000 1.202 367 A HN 0.943 nan 8.150 nan 0.000 0.357 368 D N 0.449 120.862 120.400 0.022 0.000 2.339 368 D HA 0.550 5.190 4.640 0.000 0.000 0.217 368 D C 0.540 176.856 176.300 0.026 0.000 1.050 368 D CA 0.991 55.004 54.000 0.021 0.000 0.856 368 D CB -0.051 40.757 40.800 0.014 0.000 0.922 368 D HN 1.256 nan 8.370 nan 0.000 0.518 369 A N 0.008 122.849 122.820 0.035 0.000 2.304 369 A HA 0.613 4.933 4.320 0.000 0.000 0.301 369 A C -0.049 177.570 177.584 0.058 0.000 1.132 369 A CA -0.542 51.523 52.037 0.048 0.000 0.819 369 A CB 0.873 19.907 19.000 0.055 0.000 1.094 369 A HN 0.129 nan 8.150 nan 0.000 0.492 370 T N 2.834 117.428 114.554 0.068 0.000 2.833 370 T HA 0.459 4.809 4.350 0.000 0.000 0.297 370 T C -0.340 174.415 174.700 0.091 0.000 1.015 370 T CA 0.062 62.203 62.100 0.068 0.000 0.963 370 T CB 0.318 69.216 68.868 0.051 0.000 0.955 370 T HN 0.446 nan 8.240 nan 0.000 0.449 371 I N 4.160 124.788 120.570 0.097 0.000 2.315 371 I HA 0.408 4.578 4.170 0.000 0.000 0.291 371 I C 0.668 176.808 176.117 0.038 0.000 1.006 371 I CA -0.589 60.774 61.300 0.104 0.000 1.265 371 I CB 0.767 38.854 38.000 0.145 0.000 1.387 371 I HN 0.342 nan 8.210 nan 0.000 0.475 372 R N 3.847 124.353 120.500 0.011 0.000 2.828 372 R HA 0.507 4.848 4.340 0.000 0.000 0.264 372 R C -1.040 175.226 176.300 -0.057 0.000 1.022 372 R CA -1.029 55.064 56.100 -0.012 0.000 1.021 372 R CB 1.429 31.734 30.300 0.008 0.000 1.163 372 R HN 0.422 nan 8.270 nan 0.000 0.494 373 D N -0.003 120.366 120.400 -0.050 0.000 2.511 373 D HA 0.138 4.778 4.640 0.000 0.000 0.276 373 D C 0.876 177.168 176.300 -0.013 0.000 1.220 373 D CA -0.386 53.582 54.000 -0.052 0.000 1.077 373 D CB 0.444 41.188 40.800 -0.094 0.000 1.126 373 D HN 0.584 nan 8.370 nan 0.000 0.583 374 W N 0.319 121.595 121.300 -0.041 0.000 2.588 374 W HA 0.032 4.692 4.660 0.000 0.000 0.277 374 W C 0.802 177.324 176.519 0.006 0.000 1.221 374 W CA 0.558 57.887 57.345 -0.028 0.000 1.355 374 W CB -0.460 28.972 29.460 -0.046 0.000 1.083 374 W HN 0.268 nan 8.180 nan 0.000 0.581 375 D N 1.884 121.598 120.400 -1.143 0.000 2.305 375 D HA -0.044 4.596 4.640 0.000 0.000 0.206 375 D C 1.157 177.209 176.300 -0.414 0.000 0.974 375 D CA 0.373 53.783 54.000 -0.984 0.000 0.871 375 D CB -0.664 39.261 40.800 -1.460 0.000 0.947 375 D HN -0.046 nan 8.370 nan 0.000 0.516 385 M N 2.236 121.679 119.600 -0.261 0.000 2.472 385 M HA 0.655 5.135 4.480 0.000 0.000 0.331 385 M C -0.437 175.625 176.300 -0.397 0.000 1.170 385 M CA -0.338 54.745 55.300 -0.361 0.000 1.009 385 M CB 1.566 34.024 32.600 -0.237 0.000 1.672 385 M HN 0.769 nan 8.290 nan 0.000 0.453 386 M N 0.163 119.397 119.600 -0.609 0.000 2.853 386 M HA 0.450 4.930 4.480 0.000 0.000 0.273 386 M C -0.724 175.310 176.300 -0.444 0.000 1.128 386 M CA -0.882 54.111 55.300 -0.512 0.000 0.814 386 M CB 1.698 33.953 32.600 -0.574 0.000 1.667 386 M HN 0.619 nan 8.290 nan 0.000 0.519 387 T N -1.341 113.069 114.554 -0.240 0.000 2.828 387 T HA 0.465 4.815 4.350 0.000 0.000 0.290 387 T C 0.503 175.253 174.700 0.083 0.000 1.019 387 T CA -0.222 61.825 62.100 -0.087 0.000 1.031 387 T CB 0.528 69.370 68.868 -0.042 0.000 1.001 387 T HN 0.499 nan 8.240 nan 0.000 0.531 388 F N 0.808 120.853 119.950 0.158 0.000 2.171 388 F HA -0.019 4.508 4.527 0.000 0.000 0.300 388 F C 3.011 178.916 175.800 0.175 0.000 1.090 388 F CA 1.366 59.416 58.000 0.084 0.000 1.293 388 F CB -0.898 38.019 39.000 -0.138 0.000 1.013 388 F HN 0.559 nan 8.300 nan 0.000 0.486 389 S N -0.533 115.350 115.700 0.305 0.000 2.440 389 S HA -0.234 4.236 4.470 0.000 0.000 0.238 389 S C 1.780 176.554 174.600 0.290 0.000 1.010 389 S CA 1.277 59.666 58.200 0.316 0.000 0.972 389 S CB -0.381 63.053 63.200 0.391 0.000 0.774 389 S HN 0.546 nan 8.310 nan 0.000 0.501 390 Q N -0.009 119.875 119.800 0.141 0.000 2.349 390 Q HA 0.161 4.501 4.340 0.000 0.000 0.209 390 Q C 2.541 178.625 176.000 0.139 0.000 0.920 390 Q CA 0.593 56.369 55.803 -0.046 0.000 0.901 390 Q CB -0.337 28.000 28.738 -0.669 0.000 1.021 390 Q HN 0.554 nan 8.270 nan 0.000 0.519 391 G N 1.210 110.186 108.800 0.293 0.000 2.446 391 G HA2 -0.307 3.653 3.960 0.000 0.000 0.217 391 G HA3 -0.307 3.653 3.960 0.000 0.000 0.217 391 G C 1.182 176.295 174.900 0.355 0.000 1.168 391 G CA 0.756 46.120 45.100 0.441 0.000 0.771 391 G HN 0.320 nan 8.290 nan 0.000 0.551 392 F N 2.467 122.525 119.950 0.181 0.000 2.069 392 F HA 0.025 4.552 4.527 0.000 0.000 0.298 392 F C 2.821 178.717 175.800 0.160 0.000 1.113 392 F CA 1.644 59.714 58.000 0.117 0.000 1.214 392 F CB -0.482 38.525 39.000 0.013 0.000 0.978 392 F HN 0.226 nan 8.300 nan 0.000 0.474 393 A N -1.284 121.655 122.820 0.198 0.000 1.972 393 A HA -0.275 4.045 4.320 0.000 0.000 0.219 393 A C 1.864 179.543 177.584 0.160 0.000 1.169 393 A CA 2.027 54.139 52.037 0.125 0.000 0.635 393 A CB -1.248 17.933 19.000 0.303 0.000 0.810 393 A HN 0.678 nan 8.150 nan 0.000 0.446 394 H N -0.927 118.245 119.070 0.170 0.000 2.563 394 H HA 0.233 4.789 4.556 0.000 0.000 0.264 394 H C 0.532 176.029 175.328 0.282 0.000 0.957 394 H CA 0.661 56.881 56.048 0.288 0.000 1.173 394 H CB -0.027 29.954 29.762 0.364 0.000 1.420 394 H HN 0.330 nan 8.280 nan 0.000 0.551 395 S N 0.100 115.863 115.700 0.105 0.000 3.681 395 S HA -0.209 4.261 4.470 0.000 0.000 0.473 395 S C -0.282 174.437 174.600 0.198 0.000 0.830 395 S CA 0.547 58.763 58.200 0.027 0.000 1.355 395 S CB -1.651 61.474 63.200 -0.125 0.000 0.892 395 S HN 0.579 nan 8.310 nan 0.000 0.649 396 S N 2.462 118.293 115.700 0.218 0.000 2.422 396 S HA 0.505 4.975 4.470 0.000 0.000 0.308 396 S C 1.251 175.883 174.600 0.054 0.000 1.097 396 S CA -0.714 57.616 58.200 0.216 0.000 1.099 396 S CB 0.556 63.970 63.200 0.357 0.000 0.976 396 S HN 0.613 nan 8.310 nan 0.000 0.471 397 N N 3.974 122.604 118.700 -0.118 0.000 2.223 397 N HA -0.104 4.636 4.740 0.000 0.000 0.185 397 N C 1.718 177.124 175.510 -0.173 0.000 1.016 397 N CA 0.980 53.772 53.050 -0.431 0.000 0.863 397 N CB -0.459 37.334 38.487 -1.157 0.000 0.983 397 N HN 0.470 nan 8.380 nan 0.000 0.429 398 V N 0.922 120.811 119.914 -0.042 0.000 2.261 398 V HA -0.143 3.977 4.120 0.000 0.000 0.246 398 V C 2.519 178.627 176.094 0.023 0.000 1.047 398 V CA 2.092 64.427 62.300 0.058 0.000 1.015 398 V CB -1.313 30.605 31.823 0.158 0.000 0.642 398 V HN 0.325 nan 8.190 nan 0.000 0.446 399 G N -0.232 108.533 108.800 -0.059 0.000 2.459 399 G HA2 -0.281 3.679 3.960 0.000 0.000 0.217 399 G HA3 -0.281 3.679 3.960 0.000 0.000 0.217 399 G C 1.541 176.378 174.900 -0.104 0.000 1.183 399 G CA 1.319 46.119 45.100 -0.500 0.000 0.776 399 G HN 0.299 nan 8.290 nan 0.000 0.552 400 M N 0.878 120.463 119.600 -0.025 0.000 2.080 400 M HA -0.068 4.412 4.480 0.000 0.000 0.260 400 M C 2.711 178.964 176.300 -0.078 0.000 1.068 400 M CA 1.689 56.968 55.300 -0.035 0.000 1.109 400 M CB -1.853 30.770 32.600 0.038 0.000 1.342 400 M HN 0.194 nan 8.290 nan 0.000 0.405 401 T N 1.353 115.913 114.554 0.010 0.000 2.788 401 T HA -0.089 4.261 4.350 0.000 0.000 0.268 401 T C 2.083 176.760 174.700 -0.038 0.000 1.044 401 T CA 1.043 63.156 62.100 0.021 0.000 1.139 401 T CB -0.327 68.615 68.868 0.124 0.000 0.867 401 T HN 0.302 nan 8.240 nan 0.000 0.454 402 L N 0.276 121.485 121.223 -0.023 0.000 2.046 402 L HA -0.021 4.319 4.340 0.000 0.000 0.208 402 L C 2.438 179.222 176.870 -0.144 0.000 1.077 402 L CA 1.071 55.901 54.840 -0.017 0.000 0.747 402 L CB -0.547 41.578 42.059 0.111 0.000 0.896 402 L HN 0.250 nan 8.230 nan 0.000 0.432 403 L N -0.584 120.479 121.223 -0.267 0.000 2.131 403 L HA -0.191 4.149 4.340 0.000 0.000 0.210 403 L C 2.738 179.444 176.870 -0.274 0.000 1.092 403 L CA 0.873 55.493 54.840 -0.368 0.000 0.759 403 L CB -0.488 41.341 42.059 -0.382 0.000 0.903 403 L HN 0.327 nan 8.230 nan 0.000 0.435 404 E N 0.076 120.116 120.200 -0.268 0.000 2.046 404 E HA -0.199 4.151 4.350 0.000 0.000 0.190 404 E C 2.100 178.617 176.600 -0.139 0.000 0.982 404 E CA 1.142 57.366 56.400 -0.295 0.000 0.800 404 E CB 0.069 29.557 29.700 -0.353 0.000 0.756 404 E HN 0.444 nan 8.360 nan 0.000 0.449 405 Q N 0.751 120.496 119.800 -0.093 0.000 2.061 405 Q HA -0.140 4.200 4.340 0.000 0.000 0.204 405 Q C 2.183 178.160 176.000 -0.038 0.000 0.984 405 Q CA 1.195 56.976 55.803 -0.037 0.000 0.846 405 Q CB -0.384 28.345 28.738 -0.015 0.000 0.902 405 Q HN 0.285 nan 8.270 nan 0.000 0.421 406 K N 0.073 120.427 120.400 -0.077 0.000 2.281 406 K HA -0.086 4.234 4.320 0.000 0.000 0.203 406 K C 1.987 178.559 176.600 -0.047 0.000 1.046 406 K CA 0.984 57.225 56.287 -0.076 0.000 0.938 406 K CB -0.055 32.356 32.500 -0.148 0.000 0.737 406 K HN 0.199 nan 8.250 nan 0.000 0.458 407 M N -0.658 118.917 119.600 -0.041 0.000 2.429 407 M HA 0.059 4.540 4.480 0.000 0.000 0.265 407 M C -0.125 176.216 176.300 0.068 0.000 1.120 407 M CA 1.257 56.568 55.300 0.019 0.000 1.173 407 M CB 0.967 33.579 32.600 0.020 0.000 1.343 407 M HN 0.138 nan 8.290 nan 0.000 0.464 408 G N 1.916 110.755 108.800 0.065 0.000 3.448 408 G HA2 -0.140 3.820 3.960 0.000 0.000 0.685 408 G HA3 -0.140 3.820 3.960 0.000 0.000 0.685 408 G C -0.441 174.539 174.900 0.134 0.000 1.151 408 G CA -0.262 44.889 45.100 0.083 0.000 1.023 408 G HN 0.411 nan 8.290 nan 0.000 0.499 409 D N 0.883 121.357 120.400 0.122 0.000 2.248 409 D HA -0.308 4.332 4.640 0.000 0.000 0.191 409 D C 2.678 179.073 176.300 0.158 0.000 1.013 409 D CA 2.657 56.752 54.000 0.159 0.000 0.883 409 D CB -0.254 40.610 40.800 0.106 0.000 0.915 409 D HN 1.041 nan 8.370 nan 0.000 0.448 410 A N 0.255 123.141 122.820 0.109 0.000 1.841 410 A HA -0.222 4.098 4.320 0.000 0.000 0.216 410 A C 2.472 180.123 177.584 0.111 0.000 1.199 410 A CA 2.780 54.867 52.037 0.083 0.000 0.621 410 A CB -1.166 17.868 19.000 0.057 0.000 0.835 410 A HN 0.266 nan 8.150 nan 0.000 0.445 411 T N -1.297 113.346 114.554 0.149 0.000 2.699 411 T HA -0.217 4.133 4.350 0.000 0.000 0.268 411 T C 1.575 176.504 174.700 0.383 0.000 1.036 411 T CA 1.358 63.587 62.100 0.215 0.000 1.147 411 T CB -0.397 68.619 68.868 0.246 0.000 0.862 411 T HN 0.668 nan 8.240 nan 0.000 0.446 412 W N 1.402 122.793 121.300 0.151 0.000 2.358 412 W HA -0.109 4.551 4.660 0.000 0.000 0.303 412 W C 1.675 178.285 176.519 0.151 0.000 1.208 412 W CA 0.644 58.084 57.345 0.157 0.000 1.274 412 W CB -0.303 29.195 29.460 0.063 0.000 1.138 412 W HN 0.236 nan 8.180 nan 0.000 0.515 413 L N 0.615 121.853 121.223 0.025 0.000 2.046 413 L HA -0.259 4.081 4.340 0.000 0.000 0.208 413 L C 2.223 179.012 176.870 -0.136 0.000 1.077 413 L CA 2.019 56.765 54.840 -0.156 0.000 0.747 413 L CB -1.075 40.957 42.059 -0.045 0.000 0.896 413 L HN -0.024 nan 8.230 nan 0.000 0.432 414 D N -0.704 119.662 120.400 -0.056 0.000 2.104 414 D HA -0.255 4.385 4.640 0.000 0.000 0.194 414 D C 2.053 178.258 176.300 -0.160 0.000 0.994 414 D CA 1.542 55.472 54.000 -0.116 0.000 0.830 414 D CB -0.085 40.628 40.800 -0.145 0.000 0.959 414 D HN 0.220 nan 8.370 nan 0.000 0.452 415 Y N 0.177 120.431 120.300 -0.078 0.000 2.274 415 Y HA -0.019 4.531 4.550 0.000 0.000 0.290 415 Y C 2.164 178.018 175.900 -0.077 0.000 1.145 415 Y CA 0.728 58.800 58.100 -0.046 0.000 1.203 415 Y CB -0.153 38.385 38.460 0.130 0.000 0.984 415 Y HN 0.086 nan 8.280 nan 0.000 0.533 416 L N -0.299 120.806 121.223 -0.197 0.000 2.201 416 L HA -0.227 4.113 4.340 0.000 0.000 0.212 416 L C 1.750 178.660 176.870 0.066 0.000 1.105 416 L CA 0.941 55.678 54.840 -0.173 0.000 0.775 416 L CB -0.319 41.450 42.059 -0.484 0.000 0.913 416 L HN 0.323 nan 8.230 nan 0.000 0.440 417 N N 0.079 118.761 118.700 -0.030 0.000 2.290 417 N HA -0.067 4.673 4.740 0.000 0.000 0.179 417 N C 1.790 177.262 175.510 -0.064 0.000 1.016 417 N CA 0.716 53.745 53.050 -0.034 0.000 0.871 417 N CB -0.049 38.398 38.487 -0.066 0.000 0.987 417 N HN 0.314 nan 8.380 nan 0.000 0.431 418 R N -0.214 120.215 120.500 -0.120 0.000 2.193 418 R HA -0.013 4.327 4.340 0.000 0.000 0.229 418 R C 0.898 177.030 176.300 -0.279 0.000 1.110 418 R CA 0.810 56.769 56.100 -0.235 0.000 0.988 418 R CB -0.194 29.901 30.300 -0.343 0.000 0.871 418 R HN 0.147 nan 8.270 nan 0.000 0.458 419 F N 0.716 120.624 119.950 -0.070 0.000 2.727 419 F HA 0.154 4.681 4.527 0.000 0.000 0.302 419 F C 0.567 176.150 175.800 -0.362 0.000 1.097 419 F CA 0.042 57.950 58.000 -0.154 0.000 1.330 419 F CB 0.440 39.445 39.000 0.008 0.000 1.084 419 F HN -0.196 nan 8.300 nan 0.000 0.578 420 K N -0.748 119.600 120.400 -0.087 0.000 3.209 420 K HA -0.239 4.082 4.320 0.000 0.000 0.289 420 K C -0.263 176.229 176.600 -0.181 0.000 1.191 420 K CA 0.411 56.616 56.287 -0.137 0.000 0.851 420 K CB -2.566 29.839 32.500 -0.159 0.000 1.242 420 K HN 0.214 nan 8.250 nan 0.000 0.480 421 F N 0.872 120.801 119.950 -0.034 0.000 2.444 421 F HA 0.324 4.851 4.527 0.000 0.000 0.331 421 F C 2.040 177.804 175.800 -0.061 0.000 1.167 421 F CA 1.719 59.677 58.000 -0.071 0.000 1.262 421 F CB 0.533 39.460 39.000 -0.122 0.000 1.196 421 F HN 0.294 nan 8.300 nan 0.000 0.583 422 G N 0.311 109.211 108.800 0.167 0.000 2.284 422 G HA2 -0.234 3.726 3.960 0.000 0.000 0.247 422 G HA3 -0.234 3.726 3.960 0.000 0.000 0.247 422 G C -0.314 174.620 174.900 0.055 0.000 1.012 422 G CA 0.098 45.245 45.100 0.078 0.000 0.618 422 G HN 0.611 nan 8.290 nan 0.000 0.521 423 V N 2.553 122.492 119.914 0.043 0.000 2.630 423 V HA 0.624 4.744 4.120 0.000 0.000 0.305 423 V C -1.861 174.257 176.094 0.041 0.000 1.046 423 V CA -1.608 60.714 62.300 0.036 0.000 0.934 423 V CB 1.991 33.825 31.823 0.019 0.000 1.003 423 V HN 0.135 nan 8.190 nan 0.000 0.451 424 P HA 0.228 nan 4.420 nan 0.000 0.276 424 P C 0.815 178.162 177.300 0.079 0.000 1.252 424 P CA -0.240 62.920 63.100 0.100 0.000 0.802 424 P CB 0.554 32.342 31.700 0.147 0.000 1.035 425 T N -1.851 112.755 114.554 0.087 0.000 2.896 425 T HA -0.053 4.297 4.350 0.000 0.000 0.263 425 T C 0.646 175.450 174.700 0.174 0.000 1.050 425 T CA 0.040 62.187 62.100 0.079 0.000 1.140 425 T CB -0.666 68.202 68.868 -0.000 0.000 0.877 425 T HN 0.412 nan 8.240 nan 0.000 0.457 426 R N 0.938 121.593 120.500 0.258 0.000 3.267 426 R HA -0.153 4.187 4.340 0.000 0.000 0.254 426 R C 0.520 177.000 176.300 0.300 0.000 0.993 426 R CA 0.720 56.974 56.100 0.256 0.000 0.670 426 R CB -2.760 27.634 30.300 0.157 0.000 1.125 426 R HN 0.694 nan 8.270 nan 0.000 0.434 427 F N -2.036 117.965 119.950 0.084 0.000 2.367 427 F HA 0.279 4.806 4.527 0.000 0.000 0.298 427 F C 1.441 177.336 175.800 0.158 0.000 1.094 427 F CA 1.143 59.207 58.000 0.107 0.000 1.409 427 F CB -0.018 39.068 39.000 0.144 0.000 1.064 427 F HN 0.200 nan 8.300 nan 0.000 0.528 428 G N 0.580 109.182 108.800 -0.330 0.000 4.040 428 G HA2 0.089 4.049 3.960 0.000 0.000 0.192 428 G HA3 0.089 4.049 3.960 0.000 0.000 0.192 428 G C -0.174 174.587 174.900 -0.231 0.000 0.963 428 G CA -0.162 44.829 45.100 -0.182 0.000 0.886 428 G HN 0.215 nan 8.290 nan 0.000 0.333 429 L N 3.041 123.836 121.223 -0.713 0.000 2.417 429 L HA 0.507 4.847 4.340 0.000 0.000 0.268 429 L C 1.337 178.109 176.870 -0.163 0.000 1.158 429 L CA -0.150 54.377 54.840 -0.521 0.000 0.819 429 L CB 1.229 42.732 42.059 -0.926 0.000 1.112 429 L HN 0.418 nan 8.230 nan 0.000 0.458 430 T N -2.080 112.470 114.554 -0.007 0.000 2.882 430 T HA 0.217 4.567 4.350 0.000 0.000 0.287 430 T C 0.255 175.076 174.700 0.202 0.000 1.014 430 T CA -0.459 61.698 62.100 0.095 0.000 1.049 430 T CB 1.134 70.041 68.868 0.065 0.000 1.001 430 T HN 0.745 nan 8.240 nan 0.000 0.525 431 D N -0.246 120.268 120.400 0.189 0.000 2.718 431 D HA -0.182 4.458 4.640 0.000 0.000 0.242 431 D C -0.234 176.224 176.300 0.263 0.000 1.123 431 D CA 0.939 55.064 54.000 0.209 0.000 0.690 431 D CB -1.032 39.864 40.800 0.160 0.000 1.059 431 D HN 0.863 nan 8.370 nan 0.000 0.429 432 E N 0.583 120.983 120.200 0.334 0.000 2.227 432 E HA 0.226 4.576 4.350 0.000 0.000 0.282 432 E C 0.003 176.850 176.600 0.412 0.000 1.015 432 E CA -0.759 55.892 56.400 0.419 0.000 0.823 432 E CB 0.483 30.470 29.700 0.479 0.000 1.081 432 E HN 0.113 nan 8.360 nan 0.000 0.396 433 Y N 1.392 121.808 120.300 0.192 0.000 2.330 433 Y HA 0.198 4.748 4.550 0.000 0.000 0.341 433 Y C 1.043 177.012 175.900 0.115 0.000 1.278 433 Y CA -0.277 57.897 58.100 0.122 0.000 1.453 433 Y CB 0.934 39.448 38.460 0.089 0.000 1.342 433 Y HN 0.684 nan 8.280 nan 0.000 0.590 434 A N 0.200 123.158 122.820 0.230 0.000 2.358 434 A HA 0.493 4.813 4.320 0.000 0.000 0.223 434 A C 1.200 178.846 177.584 0.104 0.000 1.218 434 A CA 0.504 52.624 52.037 0.140 0.000 0.942 434 A CB -0.620 18.437 19.000 0.095 0.000 1.005 434 A HN 1.239 nan 8.150 nan 0.000 0.514 435 G N -0.751 108.107 108.800 0.096 0.000 2.697 435 G HA2 -0.098 3.862 3.960 0.000 0.000 0.240 435 G HA3 -0.098 3.862 3.960 0.000 0.000 0.240 435 G C -0.325 174.588 174.900 0.022 0.000 1.346 435 G CA 0.162 45.296 45.100 0.057 0.000 0.887 435 G HN 1.060 nan 8.290 nan 0.000 0.569 436 Q N -1.306 118.494 119.800 0.001 0.000 2.327 436 Q HA 0.530 4.870 4.340 0.000 0.000 0.265 436 Q C -0.280 175.702 176.000 -0.031 0.000 0.993 436 Q CA -0.880 54.916 55.803 -0.012 0.000 0.885 436 Q CB 1.329 30.053 28.738 -0.022 0.000 1.379 436 Q HN 0.738 nan 8.270 nan 0.000 0.408 437 L N 4.653 125.861 121.223 -0.024 0.000 2.467 437 L HA 0.342 4.682 4.340 0.000 0.000 0.270 437 L C -1.714 175.125 176.870 -0.051 0.000 1.205 437 L CA -1.459 53.353 54.840 -0.047 0.000 0.828 437 L CB 0.102 42.140 42.059 -0.036 0.000 1.101 437 L HN 0.564 nan 8.230 nan 0.000 0.479 438 P HA 0.028 nan 4.420 nan 0.000 0.267 438 P C -0.737 176.548 177.300 -0.025 0.000 1.200 438 P CA -0.382 62.692 63.100 -0.043 0.000 0.772 438 P CB 0.663 32.342 31.700 -0.035 0.000 0.855 439 A N 2.330 125.138 122.820 -0.019 0.000 2.520 439 A HA -0.013 4.307 4.320 0.000 0.000 0.235 439 A C 0.598 178.180 177.584 -0.005 0.000 1.065 439 A CA -0.056 51.974 52.037 -0.013 0.000 0.764 439 A CB -0.537 18.456 19.000 -0.013 0.000 1.002 439 A HN 0.600 nan 8.150 nan 0.000 0.502 440 D N 0.750 121.148 120.400 -0.002 0.000 2.597 440 D HA 0.256 4.896 4.640 0.000 0.000 0.228 440 D C -0.319 175.986 176.300 0.008 0.000 1.120 440 D CA 0.307 54.309 54.000 0.005 0.000 1.083 440 D CB -0.735 40.067 40.800 0.003 0.000 1.116 440 D HN 0.626 nan 8.370 nan 0.000 0.487 441 N N 1.153 119.860 118.700 0.012 0.000 2.455 441 N HA 0.079 4.819 4.740 0.000 0.000 0.285 441 N C 0.915 176.438 175.510 0.022 0.000 1.080 441 N CA -0.925 52.133 53.050 0.014 0.000 0.932 441 N CB 0.632 39.123 38.487 0.007 0.000 1.610 441 N HN 0.091 nan 8.380 nan 0.000 0.493 442 I N -0.401 120.185 120.570 0.027 0.000 2.462 442 I HA -0.259 3.911 4.170 0.000 0.000 0.259 442 I C 0.320 176.458 176.117 0.034 0.000 1.156 442 I CA 1.282 62.602 61.300 0.035 0.000 1.417 442 I CB -0.252 37.768 38.000 0.033 0.000 1.088 442 I HN 0.353 nan 8.210 nan 0.000 0.442 443 V N 1.464 121.395 119.914 0.027 0.000 2.535 443 V HA -0.142 3.978 4.120 0.000 0.000 0.246 443 V C 2.212 178.315 176.094 0.014 0.000 1.045 443 V CA 2.130 64.447 62.300 0.028 0.000 1.058 443 V CB -1.017 30.821 31.823 0.025 0.000 0.689 443 V HN 0.521 nan 8.190 nan 0.000 0.461 444 N N 0.374 119.078 118.700 0.006 0.000 2.132 444 N HA -0.006 4.734 4.740 0.000 0.000 0.187 444 N C 1.837 177.345 175.510 -0.003 0.000 1.038 444 N CA 1.227 54.270 53.050 -0.012 0.000 0.846 444 N CB -0.110 38.371 38.487 -0.010 0.000 1.012 444 N HN 0.323 nan 8.380 nan 0.000 0.429 445 I N 1.293 121.884 120.570 0.035 0.000 2.623 445 I HA -0.257 3.913 4.170 0.000 0.000 0.261 445 I C 2.138 178.329 176.117 0.123 0.000 1.204 445 I CA 0.603 61.965 61.300 0.103 0.000 1.444 445 I CB -0.312 37.752 38.000 0.108 0.000 1.094 445 I HN 0.217 nan 8.210 nan 0.000 0.451 446 A N 0.279 123.121 122.820 0.038 0.000 1.956 446 A HA 0.048 4.368 4.320 0.000 0.000 0.212 446 A C 2.263 179.794 177.584 -0.088 0.000 1.188 446 A CA 0.363 52.401 52.037 0.003 0.000 0.675 446 A CB -0.201 18.819 19.000 0.034 0.000 0.845 446 A HN 0.257 nan 8.150 nan 0.000 0.455 447 M N 0.770 120.256 119.600 -0.191 0.000 2.254 447 M HA -0.103 4.377 4.480 0.000 0.000 0.265 447 M C 2.353 178.208 176.300 -0.741 0.000 1.066 447 M CA 1.436 56.335 55.300 -0.668 0.000 1.123 447 M CB -0.334 31.982 32.600 -0.473 0.000 1.388 447 M HN 0.598 nan 8.290 nan 0.000 0.425 448 S N 1.219 116.755 115.700 -0.274 0.000 2.402 448 S HA -0.178 4.292 4.470 0.000 0.000 0.233 448 S C 2.050 176.644 174.600 -0.009 0.000 1.030 448 S CA 1.247 59.381 58.200 -0.109 0.000 1.003 448 S CB -0.688 62.564 63.200 0.086 0.000 0.813 448 S HN 0.482 nan 8.310 nan 0.000 0.477 449 A N 1.267 124.049 122.820 -0.064 0.000 2.076 449 A HA 0.115 4.435 4.320 0.000 0.000 0.220 449 A C 1.619 179.173 177.584 -0.050 0.000 1.160 449 A CA 1.278 53.180 52.037 -0.225 0.000 0.653 449 A CB -0.867 17.859 19.000 -0.458 0.000 0.801 449 A HN 1.051 nan 8.150 nan 0.000 0.455 450 F N -3.730 116.192 119.950 -0.045 0.000 2.764 450 F HA 0.559 5.086 4.527 0.000 0.000 0.310 450 F C 0.811 176.593 175.800 -0.030 0.000 1.124 450 F CA -0.425 57.556 58.000 -0.032 0.000 1.252 450 F CB -0.181 38.807 39.000 -0.020 0.000 1.010 450 F HN 0.277 nan 8.300 nan 0.000 0.518 451 G N 0.560 109.276 108.800 -0.140 0.000 2.141 451 G HA2 -0.130 3.830 3.960 0.000 0.000 0.195 451 G HA3 -0.130 3.830 3.960 0.000 0.000 0.195 451 G C -0.450 174.336 174.900 -0.189 0.000 1.012 451 G CA -0.257 44.769 45.100 -0.123 0.000 0.696 451 G HN 0.443 nan 8.290 nan 0.000 0.508 452 Q N -1.162 118.436 119.800 -0.338 0.000 2.421 452 Q HA 0.615 4.955 4.340 0.000 0.000 0.280 452 Q C 0.816 176.695 176.000 -0.202 0.000 1.085 452 Q CA -0.039 55.609 55.803 -0.258 0.000 0.807 452 Q CB 1.608 30.179 28.738 -0.278 0.000 1.405 452 Q HN 1.503 nan 8.270 nan 0.000 0.419 453 G N 1.270 110.041 108.800 -0.047 0.000 2.143 453 G HA2 -0.256 3.704 3.960 0.000 0.000 0.248 453 G HA3 -0.256 3.704 3.960 0.000 0.000 0.248 453 G C -0.097 174.761 174.900 -0.070 0.000 0.991 453 G CA 0.649 45.729 45.100 -0.033 0.000 0.689 453 G HN 0.546 nan 8.290 nan 0.000 0.522 454 I N 0.627 121.135 120.570 -0.104 0.000 2.680 454 I HA 0.594 4.764 4.170 0.000 0.000 0.291 454 I C -0.266 175.753 176.117 -0.163 0.000 1.244 454 I CA -0.361 60.855 61.300 -0.141 0.000 1.042 454 I CB 1.950 39.823 38.000 -0.212 0.000 1.277 454 I HN 0.341 nan 8.210 nan 0.000 0.423 455 S N 7.222 122.843 115.700 -0.132 0.000 2.475 455 S HA 0.860 5.331 4.470 0.000 0.000 0.298 455 S C -0.478 174.034 174.600 -0.145 0.000 1.119 455 S CA -0.471 57.645 58.200 -0.139 0.000 1.085 455 S CB 1.683 64.850 63.200 -0.053 0.000 1.028 455 S HN 0.752 nan 8.310 nan 0.000 0.489 456 V N -0.534 119.222 119.914 -0.263 0.000 3.156 456 V HA 0.944 5.064 4.120 0.000 0.000 0.311 456 V C -0.118 175.935 176.094 -0.068 0.000 1.208 456 V CA -0.649 61.565 62.300 -0.143 0.000 1.063 456 V CB 1.206 32.925 31.823 -0.173 0.000 1.098 456 V HN 1.128 nan 8.190 nan 0.000 0.452 457 T N -2.010 112.611 114.554 0.112 0.000 2.932 457 T HA 0.458 4.808 4.350 0.000 0.000 0.289 457 T C 0.535 175.413 174.700 0.295 0.000 1.039 457 T CA -0.475 61.790 62.100 0.275 0.000 1.024 457 T CB 1.931 70.926 68.868 0.213 0.000 1.090 457 T HN 0.734 nan 8.240 nan 0.000 0.496 458 Q N 0.310 120.335 119.800 0.374 0.000 2.226 458 Q HA -0.085 4.255 4.340 0.000 0.000 0.204 458 Q C 2.291 178.361 176.000 0.117 0.000 0.975 458 Q CA 1.882 57.886 55.803 0.334 0.000 0.866 458 Q CB -0.380 28.552 28.738 0.324 0.000 0.915 458 Q HN 0.988 nan 8.270 nan 0.000 0.440 459 T N -1.995 112.573 114.554 0.024 0.000 2.985 459 T HA -0.087 4.263 4.350 0.000 0.000 0.266 459 T C 1.714 176.321 174.700 -0.155 0.000 1.076 459 T CA 0.593 62.606 62.100 -0.144 0.000 1.135 459 T CB -0.008 68.617 68.868 -0.405 0.000 0.890 459 T HN 0.208 nan 8.240 nan 0.000 0.480 460 Q N 0.081 119.814 119.800 -0.111 0.000 2.046 460 Q HA -0.014 4.326 4.340 0.000 0.000 0.200 460 Q C 2.408 178.208 176.000 -0.333 0.000 0.975 460 Q CA 1.256 56.927 55.803 -0.220 0.000 0.836 460 Q CB -0.259 28.414 28.738 -0.108 0.000 0.896 460 Q HN 0.400 nan 8.270 nan 0.000 0.428 461 M N 0.360 119.810 119.600 -0.249 0.000 2.086 461 M HA -0.154 4.326 4.480 0.000 0.000 0.261 461 M C 2.262 178.120 176.300 -0.738 0.000 1.067 461 M CA 1.493 56.444 55.300 -0.583 0.000 1.116 461 M CB -1.031 31.154 32.600 -0.692 0.000 1.348 461 M HN 0.242 nan 8.290 nan 0.000 0.407 462 L N -0.787 120.252 121.223 -0.307 0.000 2.042 462 L HA -0.231 4.109 4.340 0.000 0.000 0.210 462 L C 2.743 179.590 176.870 -0.039 0.000 1.076 462 L CA 1.337 56.168 54.840 -0.014 0.000 0.749 462 L CB -0.716 41.370 42.059 0.045 0.000 0.893 462 L HN 0.319 nan 8.230 nan 0.000 0.432 463 R N 0.359 120.778 120.500 -0.135 0.000 2.083 463 R HA -0.204 4.136 4.340 0.000 0.000 0.237 463 R C 2.331 178.585 176.300 -0.076 0.000 1.137 463 R CA 1.664 57.702 56.100 -0.103 0.000 0.951 463 R CB -0.287 29.916 30.300 -0.161 0.000 0.851 463 R HN 0.333 nan 8.270 nan 0.000 0.434 464 A N 0.411 123.117 122.820 -0.190 0.000 1.873 464 A HA -0.120 4.200 4.320 0.000 0.000 0.215 464 A C 1.951 179.574 177.584 0.066 0.000 1.186 464 A CA 1.204 53.207 52.037 -0.058 0.000 0.616 464 A CB -0.761 18.048 19.000 -0.319 0.000 0.823 464 A HN 0.375 nan 8.150 nan 0.000 0.442 465 F N 1.518 121.452 119.950 -0.027 0.000 2.115 465 F HA -0.254 4.273 4.527 0.000 0.000 0.300 465 F C 3.000 178.818 175.800 0.030 0.000 1.092 465 F CA 1.718 59.713 58.000 -0.009 0.000 1.245 465 F CB -1.539 37.436 39.000 -0.042 0.000 0.995 465 F HN 0.435 nan 8.300 nan 0.000 0.481 466 T N -1.848 112.836 114.554 0.218 0.000 2.759 466 T HA -0.206 4.144 4.350 0.000 0.000 0.269 466 T C 2.131 176.896 174.700 0.109 0.000 1.042 466 T CA 1.286 63.465 62.100 0.131 0.000 1.140 466 T CB -0.952 67.967 68.868 0.085 0.000 0.864 466 T HN 0.224 nan 8.240 nan 0.000 0.455 467 A N 2.035 124.937 122.820 0.137 0.000 1.877 467 A HA 0.061 4.381 4.320 0.000 0.000 0.216 467 A C 2.437 180.097 177.584 0.127 0.000 1.186 467 A CA 1.540 53.647 52.037 0.115 0.000 0.620 467 A CB -0.667 18.447 19.000 0.190 0.000 0.822 467 A HN 0.509 nan 8.150 nan 0.000 0.443 468 I N -0.047 120.639 120.570 0.192 0.000 2.226 468 I HA -0.203 3.967 4.170 0.000 0.000 0.245 468 I C 2.751 178.926 176.117 0.096 0.000 1.100 468 I CA 1.544 62.938 61.300 0.156 0.000 1.374 468 I CB -1.649 36.464 38.000 0.187 0.000 1.057 468 I HN 0.350 nan 8.210 nan 0.000 0.413 469 A N 0.084 122.960 122.820 0.094 0.000 2.167 469 A HA -0.079 4.241 4.320 0.000 0.000 0.214 469 A C 1.444 179.043 177.584 0.026 0.000 1.151 469 A CA 0.847 52.915 52.037 0.052 0.000 0.735 469 A CB -0.641 18.389 19.000 0.050 0.000 0.802 469 A HN 0.428 nan 8.150 nan 0.000 0.467 470 N N 0.454 119.171 118.700 0.029 0.000 2.598 470 N HA 0.185 4.925 4.740 0.000 0.000 0.309 470 N C -0.922 174.580 175.510 -0.012 0.000 1.645 470 N CA -0.187 52.866 53.050 0.004 0.000 0.936 470 N CB -0.084 38.406 38.487 0.004 0.000 1.323 470 N HN 0.111 nan 8.380 nan 0.000 0.497 471 D N 0.041 120.438 120.400 -0.004 0.000 2.811 471 D HA -0.197 4.443 4.640 0.000 0.000 0.231 471 D C 1.076 177.348 176.300 -0.047 0.000 1.157 471 D CA 1.783 55.774 54.000 -0.014 0.000 0.716 471 D CB -1.195 39.599 40.800 -0.010 0.000 1.077 471 D HN 0.703 nan 8.370 nan 0.000 0.428 472 G N -2.444 106.329 108.800 -0.046 0.000 2.258 472 G HA2 -0.319 3.641 3.960 0.000 0.000 0.233 472 G HA3 -0.319 3.641 3.960 0.000 0.000 0.233 472 G C 0.371 175.152 174.900 -0.199 0.000 1.006 472 G CA 0.068 45.109 45.100 -0.098 0.000 0.620 472 G HN 0.613 nan 8.290 nan 0.000 0.511 473 V N 2.695 122.478 119.914 -0.218 0.000 2.427 473 V HA 0.548 4.668 4.120 0.000 0.000 0.268 473 V C 0.800 176.816 176.094 -0.130 0.000 1.046 473 V CA 0.209 62.337 62.300 -0.287 0.000 0.970 473 V CB 1.345 33.021 31.823 -0.245 0.000 1.001 473 V HN 0.491 nan 8.190 nan 0.000 0.476 474 M N 6.462 125.986 119.600 -0.127 0.000 2.216 474 M HA 0.499 4.979 4.480 0.000 0.000 0.356 474 M C -1.021 175.268 176.300 -0.019 0.000 1.205 474 M CA -0.037 55.235 55.300 -0.047 0.000 1.122 474 M CB 0.666 33.228 32.600 -0.063 0.000 1.571 474 M HN 0.496 nan 8.290 nan 0.000 0.464 475 L N 2.769 123.998 121.223 0.010 0.000 2.333 475 L HA 0.507 4.847 4.340 0.000 0.000 0.269 475 L C -0.535 176.355 176.870 0.034 0.000 1.010 475 L CA -0.992 53.865 54.840 0.029 0.000 0.818 475 L CB 1.968 44.050 42.059 0.038 0.000 1.306 475 L HN 0.589 nan 8.230 nan 0.000 0.430 476 E N 2.949 123.179 120.200 0.051 0.000 2.259 476 E HA 0.265 4.615 4.350 0.000 0.000 0.281 476 E C -2.438 174.220 176.600 0.097 0.000 1.037 476 E CA -1.690 54.750 56.400 0.067 0.000 0.854 476 E CB 1.053 30.802 29.700 0.082 0.000 1.051 476 E HN 0.127 nan 8.360 nan 0.000 0.409 477 P HA 0.023 nan 4.420 nan 0.000 0.265 477 P C -1.089 176.388 177.300 0.296 0.000 1.193 477 P CA 0.349 63.541 63.100 0.152 0.000 0.765 477 P CB 0.531 32.250 31.700 0.030 0.000 0.823 478 K N 2.175 122.738 120.400 0.273 0.000 2.318 478 K HA 0.483 4.803 4.320 0.000 0.000 0.249 478 K C 0.028 176.856 176.600 0.379 0.000 0.942 478 K CA -0.438 55.994 56.287 0.243 0.000 0.808 478 K CB 1.236 33.803 32.500 0.111 0.000 1.189 478 K HN 0.429 nan 8.250 nan 0.000 0.428 479 F N -0.135 119.955 119.950 0.233 0.000 2.925 479 F HA 0.465 4.992 4.527 0.000 0.000 0.355 479 F C -0.289 175.617 175.800 0.177 0.000 1.073 479 F CA -0.527 57.638 58.000 0.274 0.000 1.127 479 F CB 0.450 39.705 39.000 0.425 0.000 1.123 479 F HN 0.114 nan 8.300 nan 0.000 0.551 480 I N 1.357 121.782 120.570 -0.242 0.000 2.355 480 I HA 0.258 4.428 4.170 0.000 0.000 0.288 480 I C 0.977 177.084 176.117 -0.017 0.000 0.999 480 I CA -0.502 60.715 61.300 -0.139 0.000 1.163 480 I CB 1.869 39.665 38.000 -0.341 0.000 1.316 480 I HN 0.183 nan 8.210 nan 0.000 0.454 481 S N 4.809 120.566 115.700 0.095 0.000 2.406 481 S HA 0.358 4.828 4.470 0.000 0.000 0.224 481 S C 0.524 175.158 174.600 0.056 0.000 1.030 481 S CA 0.716 58.970 58.200 0.090 0.000 0.958 481 S CB 0.300 63.587 63.200 0.146 0.000 0.811 481 S HN 0.794 nan 8.310 nan 0.000 0.489 482 A N -0.176 122.705 122.820 0.101 0.000 2.586 482 A HA 0.639 4.959 4.320 0.000 0.000 0.291 482 A C -2.029 175.645 177.584 0.150 0.000 1.062 482 A CA -0.729 51.345 52.037 0.061 0.000 0.666 482 A CB 0.610 19.588 19.000 -0.037 0.000 1.281 482 A HN 0.295 nan 8.150 nan 0.000 0.421 483 L N 1.188 122.475 121.223 0.106 0.000 2.356 483 L HA 0.553 4.893 4.340 0.000 0.000 0.277 483 L C -1.262 175.718 176.870 0.183 0.000 0.996 483 L CA -0.613 54.316 54.840 0.148 0.000 0.822 483 L CB 1.890 43.972 42.059 0.037 0.000 1.256 483 L HN 0.800 nan 8.230 nan 0.000 0.413 484 Y N 2.590 122.980 120.300 0.150 0.000 2.364 484 Y HA 0.380 4.930 4.550 0.000 0.000 0.340 484 Y C -0.697 175.264 175.900 0.101 0.000 0.975 484 Y CA -0.713 57.458 58.100 0.120 0.000 1.089 484 Y CB 1.613 40.199 38.460 0.211 0.000 1.192 484 Y HN 0.444 nan 8.280 nan 0.000 0.454 485 D N 8.429 128.375 120.400 -0.756 0.000 2.460 485 D HA 0.280 4.920 4.640 0.000 0.000 0.232 485 D C -1.973 173.886 176.300 -0.735 0.000 1.079 485 D CA -2.473 51.216 54.000 -0.519 0.000 0.864 485 D CB 1.917 42.545 40.800 -0.287 0.000 1.048 485 D HN 0.368 nan 8.370 nan 0.000 0.523 486 P HA -0.120 nan 4.420 nan 0.000 0.225 486 P C 0.810 178.074 177.300 -0.061 0.000 1.148 486 P CA 0.619 63.678 63.100 -0.068 0.000 0.779 486 P CB 0.681 32.456 31.700 0.125 0.000 0.780 487 N N 1.115 119.757 118.700 -0.096 0.000 2.106 487 N HA -0.120 4.620 4.740 0.000 0.000 0.188 487 N C 0.887 176.365 175.510 -0.054 0.000 1.029 487 N CA 1.742 54.760 53.050 -0.055 0.000 0.848 487 N CB -0.411 38.047 38.487 -0.049 0.000 1.007 487 N HN 0.353 nan 8.380 nan 0.000 0.423 488 D N -0.338 120.009 120.400 -0.089 0.000 2.440 488 D HA 0.069 4.709 4.640 0.000 0.000 0.216 488 D C -0.487 175.773 176.300 -0.066 0.000 1.150 488 D CA -0.135 53.829 54.000 -0.061 0.000 0.832 488 D CB -0.077 40.690 40.800 -0.055 0.000 0.992 488 D HN -0.151 nan 8.370 nan 0.000 0.502 489 Q N 0.060 119.794 119.800 -0.109 0.000 2.453 489 Q HA -0.175 4.165 4.340 0.000 0.000 0.330 489 Q C -0.540 175.431 176.000 -0.048 0.000 1.417 489 Q CA 1.007 56.787 55.803 -0.039 0.000 0.902 489 Q CB -2.395 26.405 28.738 0.103 0.000 1.154 489 Q HN 0.587 nan 8.270 nan 0.000 0.395 490 S N -2.511 113.054 115.700 -0.225 0.000 2.671 490 S HA 0.933 5.403 4.470 0.000 0.000 0.299 490 S C -0.494 174.028 174.600 -0.129 0.000 1.116 490 S CA -0.319 57.816 58.200 -0.107 0.000 0.912 490 S CB 2.988 66.135 63.200 -0.087 0.000 1.130 490 S HN 0.554 nan 8.310 nan 0.000 0.501 491 V N 0.000 119.910 119.914 -0.007 0.000 3.182 491 V HA 0.734 4.854 4.120 0.000 0.000 0.308 491 V C -1.723 174.375 176.094 0.007 0.000 1.240 491 V CA -1.033 61.290 62.300 0.038 0.000 1.063 491 V CB 2.427 34.320 31.823 0.117 0.000 1.076 491 V HN 1.029 nan 8.190 nan 0.000 0.446 492 R N 2.502 123.005 120.500 0.006 0.000 2.625 492 R HA 0.441 4.781 4.340 0.000 0.000 0.286 492 R C -1.210 175.080 176.300 -0.017 0.000 1.406 492 R CA -0.566 55.526 56.100 -0.013 0.000 1.052 492 R CB 1.637 31.919 30.300 -0.031 0.000 1.203 492 R HN 0.588 nan 8.270 nan 0.000 0.502 493 K N 1.354 121.741 120.400 -0.021 0.000 2.205 493 K HA 0.215 4.535 4.320 0.000 0.000 0.279 493 K C 0.441 177.027 176.600 -0.023 0.000 1.027 493 K CA -0.349 55.922 56.287 -0.027 0.000 0.932 493 K CB 1.571 34.052 32.500 -0.032 0.000 1.032 493 K HN 0.434 nan 8.250 nan 0.000 0.466 494 S N 2.292 117.980 115.700 -0.021 0.000 2.632 494 S HA 0.240 4.710 4.470 0.000 0.000 0.267 494 S C -0.308 174.287 174.600 -0.008 0.000 1.276 494 S CA -0.456 57.733 58.200 -0.020 0.000 0.998 494 S CB 1.384 64.569 63.200 -0.025 0.000 0.953 494 S HN 0.556 nan 8.310 nan 0.000 0.547 495 Q N 0.288 120.085 119.800 -0.005 0.000 2.416 495 Q HA 0.408 4.748 4.340 0.000 0.000 0.281 495 Q C -1.349 174.659 176.000 0.013 0.000 1.067 495 Q CA -0.823 54.983 55.803 0.005 0.000 0.809 495 Q CB 1.784 30.524 28.738 0.003 0.000 1.418 495 Q HN 0.852 nan 8.270 nan 0.000 0.411 496 K N 0.482 120.895 120.400 0.022 0.000 2.436 496 K HA 0.100 4.420 4.320 0.000 0.000 0.275 496 K C -0.446 176.177 176.600 0.038 0.000 0.999 496 K CA -0.103 56.203 56.287 0.032 0.000 0.980 496 K CB 0.683 33.204 32.500 0.035 0.000 0.919 496 K HN 0.508 nan 8.250 nan 0.000 0.484 497 E N 4.236 124.463 120.200 0.045 0.000 2.102 497 E HA 0.172 4.522 4.350 0.000 0.000 0.263 497 E C -0.902 175.738 176.600 0.066 0.000 0.894 497 E CA -0.645 55.786 56.400 0.053 0.000 0.746 497 E CB 0.692 30.420 29.700 0.047 0.000 1.129 497 E HN 0.590 nan 8.360 nan 0.000 0.416 498 I N 5.215 125.837 120.570 0.087 0.000 2.452 498 I HA -0.023 4.147 4.170 0.000 0.000 0.287 498 I C 1.073 177.256 176.117 0.110 0.000 1.079 498 I CA -0.048 61.314 61.300 0.103 0.000 1.387 498 I CB 1.085 39.188 38.000 0.171 0.000 1.404 498 I HN 0.537 nan 8.210 nan 0.000 0.522 499 V N 2.767 122.721 119.914 0.067 0.000 3.427 499 V HA 0.688 4.808 4.120 0.000 0.000 0.305 499 V C 0.516 176.622 176.094 0.020 0.000 1.412 499 V CA 0.252 62.589 62.300 0.061 0.000 1.086 499 V CB -0.307 31.538 31.823 0.036 0.000 0.964 499 V HN 0.920 nan 8.190 nan 0.000 0.439 500 G N 0.541 109.332 108.800 -0.016 0.000 2.336 500 G HA2 0.216 4.177 3.960 0.000 0.000 0.300 500 G HA3 0.216 4.177 3.960 0.000 0.000 0.300 500 G C -1.546 173.220 174.900 -0.223 0.000 1.375 500 G CA -0.232 44.809 45.100 -0.097 0.000 0.885 500 G HN 0.265 nan 8.290 nan 0.000 0.599 501 N N 1.079 119.614 118.700 -0.276 0.000 2.765 501 N HA 0.321 5.061 4.740 0.000 0.000 0.277 501 N C -1.239 174.086 175.510 -0.308 0.000 1.750 501 N CA -1.581 51.239 53.050 -0.384 0.000 0.827 501 N CB 1.602 39.797 38.487 -0.487 0.000 1.200 501 N HN 0.252 nan 8.380 nan 0.000 0.494 502 P HA -0.117 nan 4.420 nan 0.000 0.216 502 P C 0.592 177.719 177.300 -0.289 0.000 1.153 502 P CA 1.312 64.097 63.100 -0.525 0.000 0.858 502 P CB 0.245 31.225 31.700 -1.200 0.000 0.789 503 V N -4.091 115.711 119.914 -0.187 0.000 3.141 503 V HA 0.659 4.779 4.120 0.000 0.000 0.312 503 V C 0.197 176.269 176.094 -0.036 0.000 1.157 503 V CA -1.002 61.289 62.300 -0.016 0.000 1.041 503 V CB 1.239 33.102 31.823 0.067 0.000 1.071 503 V HN 0.182 nan 8.190 nan 0.000 0.441 504 S N 0.226 115.929 115.700 0.005 0.000 2.608 504 S HA 0.262 4.732 4.470 0.000 0.000 0.261 504 S C 0.980 175.575 174.600 -0.007 0.000 1.314 504 S CA 0.368 58.566 58.200 -0.004 0.000 0.992 504 S CB 0.841 64.052 63.200 0.018 0.000 0.935 504 S HN 1.075 nan 8.310 nan 0.000 0.564 505 K N 0.592 120.989 120.400 -0.006 0.000 2.063 505 K HA -0.189 4.131 4.320 0.000 0.000 0.208 505 K C 1.669 178.274 176.600 0.008 0.000 1.048 505 K CA 1.966 58.252 56.287 -0.001 0.000 0.928 505 K CB -0.402 32.103 32.500 0.009 0.000 0.713 505 K HN 0.722 nan 8.250 nan 0.000 0.442 506 E N 0.632 120.840 120.200 0.013 0.000 2.031 506 E HA -0.141 4.209 4.350 0.000 0.000 0.193 506 E C 1.924 178.532 176.600 0.013 0.000 0.994 506 E CA 1.433 57.843 56.400 0.016 0.000 0.800 506 E CB -0.447 29.267 29.700 0.023 0.000 0.752 506 E HN 0.433 nan 8.360 nan 0.000 0.447 507 A N 1.188 124.015 122.820 0.012 0.000 1.917 507 A HA -0.217 4.103 4.320 0.000 0.000 0.219 507 A C 2.382 179.963 177.584 -0.005 0.000 1.182 507 A CA 2.373 54.408 52.037 -0.003 0.000 0.633 507 A CB -1.026 17.977 19.000 0.005 0.000 0.819 507 A HN 0.297 nan 8.150 nan 0.000 0.448 508 A N -1.267 121.562 122.820 0.016 0.000 1.873 508 A HA -0.062 4.258 4.320 0.000 0.000 0.215 508 A C 2.495 180.090 177.584 0.019 0.000 1.186 508 A CA 2.111 54.166 52.037 0.030 0.000 0.616 508 A CB -1.058 17.963 19.000 0.034 0.000 0.823 508 A HN 0.539 nan 8.150 nan 0.000 0.442 509 S N -0.658 115.050 115.700 0.012 0.000 2.353 509 S HA -0.141 4.329 4.470 0.000 0.000 0.222 509 S C 1.939 176.540 174.600 0.000 0.000 1.035 509 S CA 1.730 59.935 58.200 0.009 0.000 1.025 509 S CB -0.484 62.721 63.200 0.008 0.000 0.902 509 S HN 0.291 nan 8.310 nan 0.000 0.440 510 V N 1.222 121.135 119.914 -0.002 0.000 2.343 510 V HA -0.136 3.984 4.120 0.000 0.000 0.247 510 V C 2.605 178.698 176.094 -0.002 0.000 1.051 510 V CA 2.244 64.539 62.300 -0.008 0.000 1.036 510 V CB -1.339 30.502 31.823 0.030 0.000 0.654 510 V HN 0.530 nan 8.190 nan 0.000 0.451 511 T N -0.771 113.765 114.554 -0.029 0.000 2.803 511 T HA -0.223 4.127 4.350 0.000 0.000 0.269 511 T C 2.090 176.787 174.700 -0.006 0.000 1.052 511 T CA 1.504 63.551 62.100 -0.089 0.000 1.136 511 T CB -0.223 68.581 68.868 -0.107 0.000 0.864 511 T HN 0.365 nan 8.240 nan 0.000 0.467 512 R N 0.569 121.083 120.500 0.023 0.000 2.073 512 R HA -0.069 4.271 4.340 0.000 0.000 0.229 512 R C 2.160 178.495 176.300 0.058 0.000 1.120 512 R CA 1.303 57.436 56.100 0.055 0.000 0.967 512 R CB -0.127 30.198 30.300 0.042 0.000 0.862 512 R HN 0.329 nan 8.270 nan 0.000 0.436 513 D N -0.401 119.999 120.400 0.000 0.000 2.123 513 D HA -0.184 4.456 4.640 0.000 0.000 0.196 513 D C 1.797 178.081 176.300 -0.027 0.000 0.992 513 D CA 1.244 55.217 54.000 -0.045 0.000 0.833 513 D CB -0.234 40.483 40.800 -0.138 0.000 0.954 513 D HN 0.367 nan 8.370 nan 0.000 0.455 514 H N -0.097 119.015 119.070 0.070 0.000 2.389 514 H HA 0.056 4.612 4.556 0.000 0.000 0.299 514 H C 2.256 177.811 175.328 0.378 0.000 1.081 514 H CA 0.648 56.796 56.048 0.167 0.000 1.345 514 H CB -0.093 29.623 29.762 -0.076 0.000 1.393 514 H HN 0.215 nan 8.280 nan 0.000 0.520 515 M N 0.020 119.889 119.600 0.448 0.000 2.279 515 M HA -0.132 4.348 4.480 0.000 0.000 0.264 515 M C 2.377 178.815 176.300 0.230 0.000 1.062 515 M CA 0.797 56.338 55.300 0.401 0.000 1.099 515 M CB 0.031 32.795 32.600 0.273 0.000 1.394 515 M HN 0.013 nan 8.290 nan 0.000 0.426 516 V N 0.242 120.261 119.914 0.176 0.000 2.358 516 V HA -0.266 3.854 4.120 0.000 0.000 0.246 516 V C 2.296 178.470 176.094 0.133 0.000 1.047 516 V CA 1.663 64.036 62.300 0.121 0.000 1.035 516 V CB -0.598 31.276 31.823 0.085 0.000 0.658 516 V HN 0.504 nan 8.190 nan 0.000 0.452 517 M N -0.281 119.420 119.600 0.169 0.000 2.144 517 M HA -0.184 4.296 4.480 0.000 0.000 0.260 517 M C 2.182 178.584 176.300 0.169 0.000 1.067 517 M CA 1.557 56.962 55.300 0.176 0.000 1.095 517 M CB -0.624 32.126 32.600 0.250 0.000 1.365 517 M HN 0.249 nan 8.290 nan 0.000 0.406 518 V N -0.119 119.895 119.914 0.167 0.000 2.613 518 V HA -0.262 3.858 4.120 0.000 0.000 0.259 518 V C 1.924 178.078 176.094 0.099 0.000 1.099 518 V CA 2.002 64.358 62.300 0.093 0.000 1.115 518 V CB -1.131 30.702 31.823 0.017 0.000 0.686 518 V HN 0.730 nan 8.190 nan 0.000 0.481 519 G N -2.858 106.012 108.800 0.117 0.000 3.443 519 G HA2 0.104 4.064 3.960 0.000 0.000 0.252 519 G HA3 0.104 4.064 3.960 0.000 0.000 0.252 519 G C 1.115 176.141 174.900 0.211 0.000 1.015 519 G CA 0.702 45.887 45.100 0.141 0.000 0.891 519 G HN 0.348 nan 8.290 nan 0.000 0.510 520 T N -0.052 114.589 114.554 0.144 0.000 3.046 520 T HA 0.100 4.450 4.350 0.000 0.000 0.242 520 T C 0.567 175.220 174.700 -0.079 0.000 1.018 520 T CA 0.023 62.183 62.100 0.100 0.000 1.131 520 T CB 0.051 68.965 68.868 0.076 0.000 0.904 520 T HN 0.174 nan 8.240 nan 0.000 0.459 521 D N 3.252 123.618 120.400 -0.058 0.000 2.349 521 D HA 0.032 4.672 4.640 0.000 0.000 0.266 521 D C -1.848 174.195 176.300 -0.428 0.000 1.293 521 D CA -1.606 52.320 54.000 -0.124 0.000 0.926 521 D CB 1.412 42.275 40.800 0.104 0.000 1.090 521 D HN 0.186 nan 8.370 nan 0.000 0.502 522 P HA 0.038 nan 4.420 nan 0.000 0.258 522 P C 0.272 177.425 177.300 -0.245 0.000 1.403 522 P CA 0.194 62.644 63.100 -1.083 0.000 0.826 522 P CB 0.492 31.637 31.700 -0.924 0.000 1.414 523 T N -2.987 111.463 114.554 -0.173 0.000 3.168 523 T HA 0.125 4.475 4.350 0.000 0.000 0.261 523 T C 0.785 175.297 174.700 -0.312 0.000 0.931 523 T CA 0.461 62.409 62.100 -0.253 0.000 0.949 523 T CB -0.104 68.436 68.868 -0.547 0.000 1.229 523 T HN -0.024 nan 8.240 nan 0.000 0.504 524 Y N 1.514 121.892 120.300 0.130 0.000 2.426 524 Y HA 0.521 5.071 4.550 0.000 0.000 0.249 524 Y C 1.602 177.704 175.900 0.337 0.000 1.103 524 Y CA -1.183 57.065 58.100 0.246 0.000 1.256 524 Y CB 0.236 38.785 38.460 0.149 0.000 1.208 524 Y HN 0.198 nan 8.280 nan 0.000 0.519 525 G N 0.909 109.895 108.800 0.310 0.000 2.335 525 G HA2 0.198 4.159 3.960 0.000 0.000 0.268 525 G HA3 0.198 4.159 3.960 0.000 0.000 0.268 525 G C 0.971 176.008 174.900 0.228 0.000 1.228 525 G CA 0.333 45.572 45.100 0.230 0.000 0.968 525 G HN 0.342 nan 8.290 nan 0.000 0.459 526 T N 0.318 114.953 114.554 0.136 0.000 3.194 526 T HA 0.146 4.496 4.350 0.000 0.000 0.251 526 T C 1.305 176.000 174.700 -0.010 0.000 1.132 526 T CA 0.376 62.487 62.100 0.017 0.000 1.028 526 T CB -0.116 68.647 68.868 -0.174 0.000 0.976 526 T HN 0.402 nan 8.240 nan 0.000 0.535 527 M N -0.080 119.548 119.600 0.047 0.000 2.414 527 M HA 0.325 4.805 4.480 0.000 0.000 0.393 527 M C -0.771 175.552 176.300 0.039 0.000 1.055 527 M CA -0.624 54.687 55.300 0.019 0.000 0.937 527 M CB 1.075 33.678 32.600 0.006 0.000 1.631 527 M HN 0.284 nan 8.290 nan 0.000 0.567 528 Y N 2.048 122.306 120.300 -0.069 0.000 2.365 528 Y HA 0.295 4.845 4.550 0.000 0.000 0.340 528 Y C 0.039 175.816 175.900 -0.206 0.000 1.016 528 Y CA -0.336 57.678 58.100 -0.145 0.000 1.196 528 Y CB 0.467 38.802 38.460 -0.208 0.000 1.167 528 Y HN 0.059 nan 8.280 nan 0.000 0.509 529 N N 4.901 123.196 118.700 -0.676 0.000 2.415 529 N HA 0.011 4.751 4.740 0.000 0.000 0.246 529 N C 0.314 175.368 175.510 -0.759 0.000 1.078 529 N CA 0.221 52.971 53.050 -0.500 0.000 0.942 529 N CB 0.266 38.564 38.487 -0.316 0.000 1.140 529 N HN 0.910 nan 8.380 nan 0.000 0.501 530 H N 0.766 119.661 119.070 -0.290 0.000 2.421 530 H HA -0.080 4.476 4.556 0.000 0.000 0.298 530 H C 1.317 176.587 175.328 -0.097 0.000 1.087 530 H CA 1.792 57.787 56.048 -0.088 0.000 1.330 530 H CB 0.363 30.187 29.762 0.103 0.000 1.388 530 H HN 0.553 nan 8.280 nan 0.000 0.526 531 S N -0.990 114.709 115.700 -0.000 0.000 2.763 531 S HA 0.113 4.583 4.470 0.000 0.000 0.237 531 S C 0.844 175.400 174.600 -0.073 0.000 0.966 531 S CA 0.431 58.622 58.200 -0.016 0.000 1.017 531 S CB 0.259 63.456 63.200 -0.006 0.000 0.780 531 S HN 0.298 nan 8.310 nan 0.000 0.476 532 T N -0.416 114.049 114.554 -0.148 0.000 3.211 532 T HA 0.414 4.764 4.350 0.000 0.000 0.261 532 T C 1.273 175.876 174.700 -0.162 0.000 0.880 532 T CA 0.178 62.186 62.100 -0.153 0.000 0.903 532 T CB 0.128 68.882 68.868 -0.190 0.000 1.264 532 T HN 0.703 nan 8.240 nan 0.000 0.532 533 G N 2.501 111.129 108.800 -0.286 0.000 2.148 533 G HA2 -0.243 3.717 3.960 0.000 0.000 0.254 533 G HA3 -0.243 3.717 3.960 0.000 0.000 0.254 533 G C -0.147 174.694 174.900 -0.099 0.000 0.981 533 G CA 0.537 45.565 45.100 -0.120 0.000 0.670 533 G HN 0.542 nan 8.290 nan 0.000 0.528 534 K N -0.539 119.696 120.400 -0.275 0.000 2.508 534 K HA 0.752 5.072 4.320 0.000 0.000 0.260 534 K C 0.221 176.685 176.600 -0.226 0.000 0.949 534 K CA -0.441 55.763 56.287 -0.139 0.000 0.834 534 K CB 2.087 34.535 32.500 -0.087 0.000 1.365 534 K HN 0.614 nan 8.250 nan 0.000 0.437 535 A N 0.625 123.394 122.820 -0.087 0.000 2.406 535 A HA 0.138 4.458 4.320 0.000 0.000 0.243 535 A C 1.388 178.912 177.584 -0.101 0.000 1.082 535 A CA 0.320 52.312 52.037 -0.075 0.000 0.786 535 A CB -0.062 18.943 19.000 0.009 0.000 1.029 535 A HN 0.899 nan 8.150 nan 0.000 0.495 536 T N -0.992 113.504 114.554 -0.096 0.000 2.759 536 T HA -0.073 4.277 4.350 0.000 0.000 0.269 536 T C 0.579 175.226 174.700 -0.088 0.000 1.042 536 T CA 1.602 63.645 62.100 -0.096 0.000 1.140 536 T CB -0.562 68.254 68.868 -0.087 0.000 0.864 536 T HN 0.412 nan 8.240 nan 0.000 0.455 537 V N 3.371 123.241 119.914 -0.074 0.000 2.417 537 V HA 0.655 4.775 4.120 0.000 0.000 0.291 537 V C -0.469 175.574 176.094 -0.084 0.000 1.024 537 V CA -0.984 61.265 62.300 -0.085 0.000 0.861 537 V CB 1.090 32.870 31.823 -0.072 0.000 0.985 537 V HN 0.865 nan 8.190 nan 0.000 0.436 538 N N 2.995 121.631 118.700 -0.107 0.000 2.825 538 N HA 0.737 5.477 4.740 0.000 0.000 0.253 538 N C -1.843 173.582 175.510 -0.142 0.000 1.426 538 N CA -0.829 52.158 53.050 -0.105 0.000 0.851 538 N CB 2.387 40.831 38.487 -0.071 0.000 1.470 538 N HN 0.221 nan 8.380 nan 0.000 0.517 539 V N 0.442 120.276 119.914 -0.134 0.000 2.524 539 V HA 0.504 4.624 4.120 0.000 0.000 0.297 539 V C -2.427 173.633 176.094 -0.057 0.000 1.035 539 V CA -1.355 60.862 62.300 -0.138 0.000 0.867 539 V CB 1.569 33.236 31.823 -0.259 0.000 1.004 539 V HN 0.700 nan 8.190 nan 0.000 0.426 540 P HA 0.134 nan 4.420 nan 0.000 0.256 540 P C 1.039 178.343 177.300 0.007 0.000 1.173 540 P CA 1.830 64.921 63.100 -0.014 0.000 0.768 540 P CB 0.309 32.000 31.700 -0.015 0.000 0.758 541 G N 1.681 110.488 108.800 0.012 0.000 2.179 541 G HA2 -0.199 3.761 3.960 0.000 0.000 0.260 541 G HA3 -0.199 3.761 3.960 0.000 0.000 0.260 541 G C -0.031 174.892 174.900 0.038 0.000 0.977 541 G CA -0.283 44.832 45.100 0.025 0.000 0.641 541 G HN 0.534 nan 8.290 nan 0.000 0.533 542 Q N -0.035 119.790 119.800 0.040 0.000 2.397 542 Q HA 0.415 4.755 4.340 0.000 0.000 0.275 542 Q C -0.556 175.473 176.000 0.049 0.000 1.090 542 Q CA -0.861 54.980 55.803 0.064 0.000 0.809 542 Q CB 1.334 30.145 28.738 0.123 0.000 1.362 542 Q HN 0.276 nan 8.270 nan 0.000 0.431 543 N N 0.370 119.107 118.700 0.061 0.000 2.518 543 N HA 0.386 5.126 4.740 0.000 0.000 0.283 543 N C -0.816 174.737 175.510 0.070 0.000 1.119 543 N CA -0.112 52.971 53.050 0.055 0.000 0.983 543 N CB 1.483 40.002 38.487 0.053 0.000 1.139 543 N HN 0.181 nan 8.380 nan 0.000 0.465 544 V N 1.135 121.081 119.914 0.054 0.000 2.483 544 V HA 0.422 4.542 4.120 0.000 0.000 0.297 544 V C 0.055 176.189 176.094 0.068 0.000 1.027 544 V CA -1.162 61.174 62.300 0.060 0.000 0.855 544 V CB 1.358 33.176 31.823 -0.009 0.000 0.995 544 V HN 0.754 nan 8.190 nan 0.000 0.424 545 A N 6.716 129.587 122.820 0.085 0.000 2.451 545 A HA 0.711 5.031 4.320 0.000 0.000 0.266 545 A C -0.425 177.200 177.584 0.069 0.000 1.119 545 A CA 0.178 52.267 52.037 0.087 0.000 0.786 545 A CB -0.046 19.005 19.000 0.085 0.000 1.061 545 A HN 0.802 nan 8.150 nan 0.000 0.503 546 L N 1.598 122.868 121.223 0.079 0.000 2.283 546 L HA 0.829 5.169 4.340 0.000 0.000 0.259 546 L C -0.329 176.572 176.870 0.051 0.000 1.027 546 L CA -1.086 53.783 54.840 0.048 0.000 0.828 546 L CB 2.362 44.441 42.059 0.034 0.000 1.380 546 L HN 0.670 nan 8.230 nan 0.000 0.425 547 K N 0.771 121.183 120.400 0.020 0.000 2.545 547 K HA 0.243 4.563 4.320 0.000 0.000 0.291 547 K C -1.004 175.608 176.600 0.021 0.000 1.093 547 K CA -0.176 56.108 56.287 -0.005 0.000 1.012 547 K CB 1.024 33.554 32.500 0.050 0.000 1.354 547 K HN 0.645 nan 8.250 nan 0.000 0.460 548 S N 1.118 116.811 115.700 -0.011 0.000 2.681 548 S HA 0.926 5.396 4.470 0.000 0.000 0.270 548 S C 0.355 174.968 174.600 0.022 0.000 1.209 548 S CA -0.198 58.016 58.200 0.025 0.000 0.988 548 S CB 1.596 64.794 63.200 -0.003 0.000 1.006 548 S HN 0.873 nan 8.310 nan 0.000 0.558 549 G N -0.637 108.190 108.800 0.045 0.000 2.702 549 G HA2 0.543 4.503 3.960 0.000 0.000 0.296 549 G HA3 0.543 4.503 3.960 0.000 0.000 0.296 549 G C -1.564 173.311 174.900 -0.042 0.000 1.463 549 G CA -0.720 44.390 45.100 0.017 0.000 0.890 549 G HN 0.770 nan 8.290 nan 0.000 0.534 550 T N 0.375 114.857 114.554 -0.119 0.000 2.937 550 T HA 0.716 5.067 4.350 0.000 0.000 0.297 550 T C -0.153 174.410 174.700 -0.227 0.000 0.991 550 T CA -0.135 61.787 62.100 -0.297 0.000 0.990 550 T CB 1.565 70.255 68.868 -0.296 0.000 0.991 550 T HN 1.259 nan 8.240 nan 0.000 0.440 551 A N 3.015 125.671 122.820 -0.273 0.000 2.342 551 A HA 0.698 5.018 4.320 0.000 0.000 0.323 551 A C -0.168 177.251 177.584 -0.275 0.000 1.125 551 A CA -0.863 51.057 52.037 -0.196 0.000 0.785 551 A CB 0.754 19.701 19.000 -0.088 0.000 1.221 551 A HN 0.801 nan 8.150 nan 0.000 0.463 552 E N 1.712 121.701 120.200 -0.353 0.000 2.289 552 E HA 0.285 4.635 4.350 0.000 0.000 0.278 552 E C -0.750 175.621 176.600 -0.380 0.000 1.032 552 E CA 0.031 56.170 56.400 -0.435 0.000 0.854 552 E CB 1.043 30.314 29.700 -0.715 0.000 1.046 552 E HN 0.566 nan 8.360 nan 0.000 0.409 553 I N 2.824 123.312 120.570 -0.136 0.000 2.371 553 I HA 0.148 4.318 4.170 0.000 0.000 0.290 553 I C 0.620 176.859 176.117 0.203 0.000 1.028 553 I CA -0.447 60.862 61.300 0.015 0.000 1.345 553 I CB 1.022 39.032 38.000 0.017 0.000 1.407 553 I HN 0.533 nan 8.210 nan 0.000 0.501 554 A N 5.545 128.542 122.820 0.295 0.000 2.483 554 A HA 0.004 4.324 4.320 0.000 0.000 0.238 554 A C 0.099 177.776 177.584 0.155 0.000 1.070 554 A CA -0.169 52.071 52.037 0.337 0.000 0.770 554 A CB 0.126 19.253 19.000 0.212 0.000 1.008 554 A HN 0.769 nan 8.150 nan 0.000 0.497 555 D N 1.874 122.326 120.400 0.086 0.000 2.380 555 D HA 0.386 5.026 4.640 0.000 0.000 0.230 555 D C 1.327 177.639 176.300 0.019 0.000 1.154 555 D CA 0.651 54.678 54.000 0.044 0.000 0.859 555 D CB 0.924 41.737 40.800 0.021 0.000 1.045 555 D HN 0.699 nan 8.370 nan 0.000 0.495 556 E N 3.350 123.566 120.200 0.026 0.000 2.204 556 E HA -0.204 4.146 4.350 0.000 0.000 0.195 556 E C 1.919 178.523 176.600 0.006 0.000 0.990 556 E CA 1.967 58.377 56.400 0.016 0.000 0.821 556 E CB -0.611 29.102 29.700 0.022 0.000 0.750 556 E HN 0.656 nan 8.360 nan 0.000 0.477 557 K N 1.487 121.891 120.400 0.006 0.000 2.021 557 K HA -0.034 4.286 4.320 0.000 0.000 0.205 557 K C 1.617 178.214 176.600 -0.005 0.000 1.047 557 K CA 1.393 57.681 56.287 0.002 0.000 0.943 557 K CB -0.294 32.209 32.500 0.005 0.000 0.725 557 K HN 0.633 nan 8.250 nan 0.000 0.439 558 N N -0.923 117.772 118.700 -0.009 0.000 2.241 558 N HA 0.277 5.017 4.740 0.000 0.000 0.238 558 N C 0.590 176.082 175.510 -0.031 0.000 1.244 558 N CA 0.499 53.539 53.050 -0.016 0.000 0.880 558 N CB 0.703 39.184 38.487 -0.011 0.000 1.179 558 N HN 0.711 nan 8.380 nan 0.000 0.513 559 G N -0.039 108.737 108.800 -0.041 0.000 2.757 559 G HA2 0.338 4.298 3.960 0.000 0.000 0.638 559 G HA3 0.338 4.298 3.960 0.000 0.000 0.638 559 G C 0.191 175.024 174.900 -0.111 0.000 1.344 559 G CA -0.049 45.005 45.100 -0.077 0.000 0.855 559 G HN 1.083 nan 8.290 nan 0.000 0.537 560 G N -1.474 107.198 108.800 -0.213 0.000 2.697 560 G HA2 0.221 4.181 3.960 0.000 0.000 0.240 560 G HA3 0.221 4.181 3.960 0.000 0.000 0.240 560 G C -0.323 174.370 174.900 -0.345 0.000 1.346 560 G CA 0.669 45.578 45.100 -0.319 0.000 0.887 560 G HN 1.938 nan 8.290 nan 0.000 0.569 561 Y N -0.515 119.794 120.300 0.015 0.000 2.409 561 Y HA 0.640 5.190 4.550 0.000 0.000 0.339 561 Y C 1.179 177.085 175.900 0.010 0.000 1.033 561 Y CA -1.061 57.046 58.100 0.012 0.000 1.094 561 Y CB 1.236 39.707 38.460 0.018 0.000 1.210 561 Y HN 0.603 nan 8.280 nan 0.000 0.456 562 L N 2.476 123.807 121.223 0.180 0.000 2.506 562 L HA 0.104 4.444 4.340 0.000 0.000 0.281 562 L C 0.603 177.522 176.870 0.082 0.000 1.228 562 L CA 0.278 55.174 54.840 0.095 0.000 0.850 562 L CB 0.041 42.139 42.059 0.065 0.000 1.110 562 L HN 0.685 nan 8.230 nan 0.000 0.496 563 T N 0.458 115.046 114.554 0.056 0.000 2.862 563 T HA 0.645 4.995 4.350 0.000 0.000 0.276 563 T C 0.247 174.968 174.700 0.035 0.000 0.974 563 T CA 0.035 62.164 62.100 0.048 0.000 0.966 563 T CB 1.490 70.382 68.868 0.039 0.000 1.072 563 T HN 1.025 nan 8.240 nan 0.000 0.538 564 G N 0.368 109.189 108.800 0.035 0.000 2.911 564 G HA2 -0.033 3.927 3.960 0.000 0.000 0.686 564 G HA3 -0.033 3.927 3.960 0.000 0.000 0.686 564 G C 0.479 175.405 174.900 0.043 0.000 1.136 564 G CA -0.105 45.014 45.100 0.032 0.000 0.764 564 G HN 1.081 nan 8.290 nan 0.000 0.626 565 S N -0.639 115.097 115.700 0.060 0.000 2.562 565 S HA 0.084 4.554 4.470 0.000 0.000 0.221 565 S C 2.049 176.752 174.600 0.172 0.000 0.975 565 S CA 1.920 60.182 58.200 0.103 0.000 0.918 565 S CB 0.087 63.350 63.200 0.106 0.000 0.772 565 S HN 2.078 nan 8.310 nan 0.000 0.531 566 T N -1.787 112.837 114.554 0.116 0.000 3.015 566 T HA 0.229 4.579 4.350 0.000 0.000 0.250 566 T C 0.830 175.601 174.700 0.119 0.000 1.057 566 T CA -0.018 62.175 62.100 0.154 0.000 1.066 566 T CB -0.732 68.156 68.868 0.033 0.000 0.959 566 T HN 0.247 nan 8.240 nan 0.000 0.488 567 N N 2.668 121.392 118.700 0.041 0.000 3.115 567 N HA 0.304 5.044 4.740 0.000 0.000 0.305 567 N C -0.886 174.582 175.510 -0.070 0.000 1.305 567 N CA -0.113 52.935 53.050 -0.004 0.000 1.154 567 N CB -0.615 37.874 38.487 0.004 0.000 1.454 567 N HN 0.606 nan 8.380 nan 0.000 0.551 568 N N -1.106 117.499 118.700 -0.158 0.000 3.102 568 N HA 0.505 5.245 4.740 0.000 0.000 0.299 568 N C -1.171 174.086 175.510 -0.422 0.000 1.482 568 N CA -0.717 52.114 53.050 -0.366 0.000 0.785 568 N CB 1.587 39.685 38.487 -0.649 0.000 1.680 568 N HN -0.084 nan 8.380 nan 0.000 0.594 569 I N 1.811 122.094 120.570 -0.477 0.000 2.390 569 I HA 0.345 4.515 4.170 0.000 0.000 0.283 569 I C -1.108 174.737 176.117 -0.454 0.000 1.016 569 I CA -0.383 60.724 61.300 -0.322 0.000 1.151 569 I CB 0.339 38.260 38.000 -0.132 0.000 1.293 569 I HN 0.305 nan 8.210 nan 0.000 0.458 570 F N 4.347 124.114 119.950 -0.305 0.000 2.375 570 F HA 0.506 5.033 4.527 0.000 0.000 0.333 570 F C 0.899 176.562 175.800 -0.227 0.000 1.104 570 F CA -0.192 57.584 58.000 -0.373 0.000 1.149 570 F CB 1.341 39.768 39.000 -0.956 0.000 1.190 570 F HN 0.418 nan 8.300 nan 0.000 0.533 571 S N 0.331 116.063 115.700 0.053 0.000 2.625 571 S HA 0.937 5.407 4.470 0.000 0.000 0.271 571 S C -1.445 173.223 174.600 0.113 0.000 1.161 571 S CA -0.907 57.314 58.200 0.035 0.000 0.820 571 S CB 1.933 65.163 63.200 0.051 0.000 1.137 571 S HN 0.462 nan 8.310 nan 0.000 0.470 572 V N 0.191 120.164 119.914 0.099 0.000 2.969 572 V HA 0.812 4.932 4.120 0.000 0.000 0.304 572 V C -1.185 175.009 176.094 0.167 0.000 1.192 572 V CA -0.737 61.639 62.300 0.127 0.000 0.962 572 V CB 1.600 33.480 31.823 0.094 0.000 1.045 572 V HN 1.077 nan 8.190 nan 0.000 0.428 573 V N 3.124 123.098 119.914 0.099 0.000 2.638 573 V HA 0.926 5.046 4.120 0.000 0.000 0.306 573 V C -0.211 175.830 176.094 -0.087 0.000 1.052 573 V CA 0.331 62.597 62.300 -0.056 0.000 0.885 573 V CB 2.115 33.627 31.823 -0.519 0.000 0.999 573 V HN 1.302 nan 8.190 nan 0.000 0.424 574 S N 7.144 122.809 115.700 -0.059 0.000 2.599 574 S HA 0.902 5.372 4.470 0.000 0.000 0.294 574 S C -0.895 173.725 174.600 0.033 0.000 1.094 574 S CA -0.895 57.304 58.200 -0.001 0.000 0.931 574 S CB 2.108 65.323 63.200 0.026 0.000 1.093 574 S HN 0.790 nan 8.310 nan 0.000 0.488 575 M N 3.544 123.199 119.600 0.092 0.000 2.277 575 M HA 0.463 4.943 4.480 0.000 0.000 0.282 575 M C -1.269 175.161 176.300 0.218 0.000 1.074 575 M CA -0.421 54.952 55.300 0.122 0.000 0.954 575 M CB 2.421 35.049 32.600 0.048 0.000 1.672 575 M HN 1.042 nan 8.290 nan 0.000 0.471 576 H N 0.942 120.054 119.070 0.070 0.000 3.094 576 H HA 0.534 5.090 4.556 0.000 0.000 0.346 576 H C -3.529 171.839 175.328 0.067 0.000 1.238 576 H CA -2.039 54.052 56.048 0.073 0.000 1.209 576 H CB 1.595 31.412 29.762 0.090 0.000 1.911 576 H HN 0.265 nan 8.280 nan 0.000 0.540 577 P HA 0.121 nan 4.420 nan 0.000 0.271 577 P C 0.848 178.193 177.300 0.075 0.000 1.226 577 P CA 0.820 63.988 63.100 0.112 0.000 0.765 577 P CB 0.842 32.579 31.700 0.061 0.000 0.835 578 A N 4.400 127.281 122.820 0.101 0.000 1.940 578 A HA -0.299 4.021 4.320 0.000 0.000 0.221 578 A C 1.796 179.404 177.584 0.040 0.000 1.190 578 A CA 2.073 54.152 52.037 0.070 0.000 0.647 578 A CB -1.088 17.955 19.000 0.072 0.000 0.821 578 A HN 0.541 nan 8.150 nan 0.000 0.457 579 E N -0.399 119.821 120.200 0.033 0.000 2.058 579 E HA -0.112 4.238 4.350 0.000 0.000 0.194 579 E C 1.076 177.680 176.600 0.007 0.000 0.997 579 E CA 1.388 57.799 56.400 0.019 0.000 0.801 579 E CB -0.156 29.554 29.700 0.017 0.000 0.746 579 E HN 0.773 nan 8.360 nan 0.000 0.450 580 N N 0.042 118.740 118.700 -0.002 0.000 2.707 580 N HA 0.184 4.924 4.740 0.000 0.000 0.249 580 N C -2.908 172.569 175.510 -0.054 0.000 1.299 580 N CA -1.742 51.294 53.050 -0.024 0.000 0.769 580 N CB 0.865 39.336 38.487 -0.027 0.000 1.236 580 N HN -0.178 nan 8.380 nan 0.000 0.524 581 P HA 0.015 nan 4.420 nan 0.000 0.263 581 P C -0.431 176.747 177.300 -0.204 0.000 1.175 581 P CA 0.232 63.275 63.100 -0.094 0.000 0.761 581 P CB 0.953 32.629 31.700 -0.040 0.000 0.794 582 D N 1.090 121.263 120.400 -0.378 0.000 2.626 582 D HA 0.144 4.784 4.640 0.000 0.000 0.274 582 D C 0.014 175.804 176.300 -0.850 0.000 1.045 582 D CA 0.967 54.538 54.000 -0.715 0.000 0.925 582 D CB 0.208 40.352 40.800 -1.094 0.000 1.260 582 D HN 0.257 nan 8.370 nan 0.000 0.490 583 F N 0.850 120.669 119.950 -0.219 0.000 2.520 583 F HA 0.500 5.027 4.527 0.000 0.000 0.322 583 F C 0.134 175.919 175.800 -0.026 0.000 1.103 583 F CA -0.905 57.027 58.000 -0.113 0.000 0.926 583 F CB 1.814 40.740 39.000 -0.123 0.000 1.154 583 F HN -0.335 nan 8.300 nan 0.000 0.453 584 I N 4.200 124.884 120.570 0.191 0.000 2.377 584 I HA 0.457 4.627 4.170 0.000 0.000 0.293 584 I C -1.189 175.014 176.117 0.144 0.000 0.987 584 I CA -0.967 60.408 61.300 0.126 0.000 1.185 584 I CB 1.897 39.950 38.000 0.089 0.000 1.341 584 I HN 0.364 nan 8.210 nan 0.000 0.455 585 L N 7.713 129.001 121.223 0.110 0.000 2.385 585 L HA 0.504 4.844 4.340 0.000 0.000 0.273 585 L C -1.763 175.205 176.870 0.165 0.000 0.990 585 L CA -0.525 54.386 54.840 0.118 0.000 0.821 585 L CB 1.530 43.629 42.059 0.067 0.000 1.279 585 L HN 0.452 nan 8.230 nan 0.000 0.412 586 Y N 5.410 125.748 120.300 0.062 0.000 2.363 586 Y HA 0.697 5.247 4.550 0.000 0.000 0.325 586 Y C -1.319 174.655 175.900 0.123 0.000 0.984 586 Y CA -0.967 57.195 58.100 0.103 0.000 1.248 586 Y CB 1.300 39.895 38.460 0.226 0.000 1.116 586 Y HN 0.425 nan 8.280 nan 0.000 0.470 587 V N 4.514 124.319 119.914 -0.181 0.000 2.630 587 V HA 0.755 4.875 4.120 0.000 0.000 0.305 587 V C -0.283 175.621 176.094 -0.316 0.000 1.046 587 V CA -0.499 61.703 62.300 -0.163 0.000 0.934 587 V CB 1.871 33.719 31.823 0.042 0.000 1.003 587 V HN 0.799 nan 8.190 nan 0.000 0.451 588 T N 0.120 114.540 114.554 -0.224 0.000 3.071 588 T HA 0.675 5.025 4.350 0.000 0.000 0.311 588 T C -1.213 173.427 174.700 -0.100 0.000 1.042 588 T CA -0.593 61.386 62.100 -0.200 0.000 1.028 588 T CB 1.352 70.030 68.868 -0.316 0.000 1.068 588 T HN 0.361 nan 8.240 nan 0.000 0.451 589 V N 3.577 123.455 119.914 -0.060 0.000 2.407 589 V HA 0.532 4.652 4.120 0.000 0.000 0.291 589 V C -0.129 175.948 176.094 -0.030 0.000 1.018 589 V CA -0.692 61.569 62.300 -0.066 0.000 0.842 589 V CB 1.478 33.241 31.823 -0.100 0.000 0.996 589 V HN 1.022 nan 8.190 nan 0.000 0.426 590 Q N 3.727 123.506 119.800 -0.035 0.000 2.325 590 Q HA 0.433 4.773 4.340 0.000 0.000 0.262 590 Q C -0.410 175.577 176.000 -0.022 0.000 0.968 590 Q CA -0.433 55.362 55.803 -0.013 0.000 0.877 590 Q CB 0.889 29.645 28.738 0.030 0.000 1.253 590 Q HN 0.767 nan 8.270 nan 0.000 0.448 591 Q N 2.269 122.078 119.800 0.015 0.000 2.453 591 Q HA -0.181 4.159 4.340 0.000 0.000 0.330 591 Q C -2.280 173.702 176.000 -0.031 0.000 1.417 591 Q CA 0.283 56.089 55.803 0.005 0.000 0.902 591 Q CB -1.171 27.543 28.738 -0.040 0.000 1.154 591 Q HN 0.571 nan 8.270 nan 0.000 0.395 592 P HA -0.002 nan 4.420 nan 0.000 0.286 592 P C -0.007 177.240 177.300 -0.089 0.000 1.293 592 P CA 0.109 63.161 63.100 -0.080 0.000 0.770 592 P CB 0.709 32.344 31.700 -0.108 0.000 1.206 593 E N -2.020 118.112 120.200 -0.113 0.000 2.364 593 E HA 0.041 4.391 4.350 0.000 0.000 0.203 593 E C -0.277 175.961 176.600 -0.603 0.000 0.888 593 E CA 0.328 56.542 56.400 -0.309 0.000 0.989 593 E CB 0.214 29.765 29.700 -0.248 0.000 0.985 593 E HN 0.567 nan 8.360 nan 0.000 0.499 594 H N -0.729 118.291 119.070 -0.084 0.000 2.808 594 H HA 0.200 4.756 4.556 0.000 0.000 0.268 594 H C -1.489 173.767 175.328 -0.119 0.000 1.306 594 H CA -0.673 55.322 56.048 -0.089 0.000 1.565 594 H CB -0.118 29.590 29.762 -0.090 0.000 1.632 594 H HN 0.018 nan 8.280 nan 0.000 0.525 595 Y N 1.772 121.928 120.300 -0.240 0.000 2.326 595 Y HA 0.638 5.188 4.550 0.000 0.000 0.324 595 Y C 0.306 176.055 175.900 -0.253 0.000 1.291 595 Y CA -0.216 57.655 58.100 -0.382 0.000 1.348 595 Y CB 1.413 39.338 38.460 -0.891 0.000 1.294 595 Y HN 0.573 nan 8.280 nan 0.000 0.525 596 S N 1.139 116.173 115.700 -1.109 0.000 2.578 596 S HA 0.425 4.895 4.470 0.000 0.000 0.272 596 S C 0.141 174.287 174.600 -0.756 0.000 1.145 596 S CA -0.227 57.570 58.200 -0.672 0.000 0.835 596 S CB 0.656 63.662 63.200 -0.324 0.000 1.104 596 S HN 1.063 nan 8.310 nan 0.000 0.458 597 G N 1.350 109.916 108.800 -0.390 0.000 2.426 597 G HA2 0.235 4.195 3.960 0.000 0.000 0.214 597 G HA3 0.235 4.195 3.960 0.000 0.000 0.214 597 G C 1.726 176.512 174.900 -0.189 0.000 1.156 597 G CA 1.005 45.950 45.100 -0.257 0.000 0.802 597 G HN 1.359 nan 8.290 nan 0.000 0.534 598 I N 0.526 120.998 120.570 -0.163 0.000 2.226 598 I HA -0.069 4.101 4.170 0.000 0.000 0.245 598 I C 2.541 178.599 176.117 -0.098 0.000 1.100 598 I CA 2.456 63.686 61.300 -0.116 0.000 1.374 598 I CB -1.197 36.746 38.000 -0.095 0.000 1.057 598 I HN 0.362 nan 8.210 nan 0.000 0.413 599 Q N -0.421 119.320 119.800 -0.097 0.000 2.167 599 Q HA -0.129 4.211 4.340 0.000 0.000 0.202 599 Q C 2.291 178.310 176.000 0.031 0.000 0.970 599 Q CA 1.598 57.405 55.803 0.007 0.000 0.855 599 Q CB -0.247 28.515 28.738 0.041 0.000 0.911 599 Q HN 0.804 nan 8.270 nan 0.000 0.438 600 L N 0.293 121.480 121.223 -0.060 0.000 2.017 600 L HA -0.077 4.263 4.340 0.000 0.000 0.208 600 L C 2.087 178.842 176.870 -0.192 0.000 1.073 600 L CA 2.269 57.002 54.840 -0.177 0.000 0.745 600 L CB -0.916 41.102 42.059 -0.069 0.000 0.894 600 L HN 0.158 nan 8.230 nan 0.000 0.432 601 G N -1.133 107.588 108.800 -0.132 0.000 2.422 601 G HA2 -0.252 3.709 3.960 0.000 0.000 0.218 601 G HA3 -0.252 3.709 3.960 0.000 0.000 0.218 601 G C 1.387 176.205 174.900 -0.136 0.000 1.146 601 G CA 0.793 45.816 45.100 -0.129 0.000 0.769 601 G HN 0.579 nan 8.290 nan 0.000 0.547 602 E N -0.595 119.545 120.200 -0.101 0.000 2.209 602 E HA -0.126 4.224 4.350 0.000 0.000 0.196 602 E C 1.948 178.490 176.600 -0.097 0.000 0.993 602 E CA 0.794 57.151 56.400 -0.071 0.000 0.819 602 E CB -0.142 29.547 29.700 -0.018 0.000 0.745 602 E HN 0.568 nan 8.360 nan 0.000 0.477 603 F N 1.023 120.765 119.950 -0.348 0.000 2.164 603 F HA 0.136 4.663 4.527 0.000 0.000 0.287 603 F C 2.211 177.780 175.800 -0.385 0.000 1.086 603 F CA 1.211 58.934 58.000 -0.463 0.000 1.249 603 F CB -0.519 37.889 39.000 -0.988 0.000 1.059 603 F HN -0.092 nan 8.300 nan 0.000 0.490 604 A N 0.827 123.275 122.820 -0.619 0.000 1.897 604 A HA -0.129 4.191 4.320 0.000 0.000 0.215 604 A C 2.045 179.389 177.584 -0.399 0.000 1.181 604 A CA 1.599 53.275 52.037 -0.601 0.000 0.620 604 A CB -1.057 17.780 19.000 -0.271 0.000 0.821 604 A HN 0.531 nan 8.150 nan 0.000 0.443 605 N N 0.355 118.894 118.700 -0.269 0.000 2.037 605 N HA -0.147 4.593 4.740 0.000 0.000 0.196 605 N C -0.696 174.721 175.510 -0.155 0.000 1.034 605 N CA 2.098 55.033 53.050 -0.191 0.000 0.861 605 N CB -1.769 36.634 38.487 -0.139 0.000 1.039 605 N HN 0.322 nan 8.380 nan 0.000 0.427 606 P HA -0.029 nan 4.420 nan 0.000 0.217 606 P C 1.635 178.987 177.300 0.087 0.000 1.150 606 P CA 0.836 63.950 63.100 0.024 0.000 0.832 606 P CB 0.027 31.808 31.700 0.136 0.000 0.787 607 I N -1.439 119.057 120.570 -0.124 0.000 2.252 607 I HA -0.212 3.958 4.170 0.000 0.000 0.245 607 I C 2.203 178.233 176.117 -0.145 0.000 1.102 607 I CA 1.327 62.537 61.300 -0.150 0.000 1.385 607 I CB -0.557 37.167 38.000 -0.460 0.000 1.064 607 I HN -0.097 nan 8.210 nan 0.000 0.414 608 L N 0.225 121.342 121.223 -0.176 0.000 2.093 608 L HA -0.190 4.150 4.340 0.000 0.000 0.208 608 L C 2.586 179.402 176.870 -0.090 0.000 1.085 608 L CA 1.042 55.798 54.840 -0.140 0.000 0.755 608 L CB -0.507 41.400 42.059 -0.254 0.000 0.904 608 L HN 0.219 nan 8.230 nan 0.000 0.435 609 E N 0.831 120.979 120.200 -0.088 0.000 2.031 609 E HA -0.269 4.081 4.350 0.000 0.000 0.193 609 E C 2.198 178.773 176.600 -0.041 0.000 0.994 609 E CA 1.424 57.796 56.400 -0.046 0.000 0.800 609 E CB -0.069 29.603 29.700 -0.046 0.000 0.752 609 E HN 0.070 nan 8.360 nan 0.000 0.447 610 R N 0.366 120.836 120.500 -0.049 0.000 2.083 610 R HA -0.050 4.290 4.340 0.000 0.000 0.237 610 R C 2.181 178.415 176.300 -0.111 0.000 1.137 610 R CA 1.901 57.956 56.100 -0.075 0.000 0.951 610 R CB -1.059 29.214 30.300 -0.046 0.000 0.851 610 R HN 0.279 nan 8.270 nan 0.000 0.434 611 A N -0.543 122.149 122.820 -0.214 0.000 1.859 611 A HA -0.216 4.104 4.320 0.000 0.000 0.217 611 A C 2.300 179.705 177.584 -0.298 0.000 1.198 611 A CA 2.311 54.046 52.037 -0.503 0.000 0.629 611 A CB -1.119 17.231 19.000 -1.083 0.000 0.830 611 A HN 0.446 nan 8.150 nan 0.000 0.446 612 S N -0.226 115.436 115.700 -0.064 0.000 2.359 612 S HA -0.092 4.378 4.470 0.000 0.000 0.224 612 S C 2.339 177.013 174.600 0.123 0.000 1.035 612 S CA 1.385 59.715 58.200 0.216 0.000 1.018 612 S CB -0.679 62.685 63.200 0.274 0.000 0.876 612 S HN 0.867 nan 8.310 nan 0.000 0.448 613 A N 2.382 125.230 122.820 0.047 0.000 1.869 613 A HA -0.167 4.154 4.320 0.000 0.000 0.218 613 A C 1.886 179.486 177.584 0.028 0.000 1.203 613 A CA 2.054 54.104 52.037 0.022 0.000 0.638 613 A CB -0.730 18.258 19.000 -0.019 0.000 0.831 613 A HN 0.688 nan 8.150 nan 0.000 0.450 614 M N -1.540 118.071 119.600 0.018 0.000 3.007 614 M HA 0.352 4.833 4.480 0.000 0.000 0.288 614 M C 0.915 177.262 176.300 0.078 0.000 1.246 614 M CA 0.197 55.516 55.300 0.031 0.000 1.040 614 M CB 0.266 32.869 32.600 0.006 0.000 1.254 614 M HN 0.331 nan 8.290 nan 0.000 0.517 615 K N 1.629 122.106 120.400 0.128 0.000 2.057 615 K HA -0.219 4.101 4.320 0.000 0.000 0.207 615 K C 1.752 178.423 176.600 0.118 0.000 1.049 615 K CA 2.161 58.568 56.287 0.201 0.000 0.931 615 K CB 0.137 32.767 32.500 0.216 0.000 0.714 615 K HN 0.481 nan 8.250 nan 0.000 0.440 616 E N 0.806 121.052 120.200 0.076 0.000 2.058 616 E HA -0.166 4.185 4.350 0.000 0.000 0.194 616 E C 1.796 178.425 176.600 0.047 0.000 0.997 616 E CA 2.121 58.551 56.400 0.049 0.000 0.801 616 E CB -0.170 29.551 29.700 0.034 0.000 0.746 616 E HN 0.425 nan 8.360 nan 0.000 0.450 617 S N -0.258 115.471 115.700 0.048 0.000 2.474 617 S HA -0.087 4.383 4.470 0.000 0.000 0.235 617 S C 1.978 176.613 174.600 0.058 0.000 0.997 617 S CA 0.807 59.033 58.200 0.043 0.000 0.949 617 S CB -0.437 62.784 63.200 0.036 0.000 0.766 617 S HN 0.308 nan 8.310 nan 0.000 0.517 618 L N 0.946 122.216 121.223 0.079 0.000 2.201 618 L HA 0.021 4.361 4.340 0.000 0.000 0.212 618 L C 0.250 177.170 176.870 0.084 0.000 1.105 618 L CA 0.340 55.239 54.840 0.098 0.000 0.775 618 L CB -0.936 41.210 42.059 0.145 0.000 0.913 618 L HN 0.302 nan 8.230 nan 0.000 0.440 619 N N 0.546 119.284 118.700 0.063 0.000 2.681 619 N HA -0.191 4.549 4.740 0.000 0.000 0.259 619 N C 0.620 176.159 175.510 0.049 0.000 1.066 619 N CA 0.452 53.529 53.050 0.045 0.000 0.717 619 N CB -1.225 37.284 38.487 0.037 0.000 0.885 619 N HN 0.331 nan 8.380 nan 0.000 0.547 620 L N -0.363 120.887 121.223 0.045 0.000 2.240 620 L HA -0.127 4.213 4.340 0.000 0.000 0.211 620 L C 2.510 179.391 176.870 0.019 0.000 1.106 620 L CA 1.863 56.726 54.840 0.039 0.000 0.793 620 L CB -0.275 41.794 42.059 0.017 0.000 0.927 620 L HN 0.518 nan 8.230 nan 0.000 0.446 621 Q N -0.203 119.603 119.800 0.009 0.000 2.282 621 Q HA 0.193 4.534 4.340 0.000 0.000 0.206 621 Q C 0.975 176.976 176.000 0.003 0.000 0.878 621 Q CA 0.889 56.693 55.803 0.001 0.000 0.944 621 Q CB 0.360 29.094 28.738 -0.007 0.000 1.100 621 Q HN 0.442 nan 8.270 nan 0.000 0.509 622 T N -2.577 111.980 114.554 0.006 0.000 2.618 622 T HA 0.587 4.937 4.350 0.000 0.000 0.293 622 T C -0.840 173.859 174.700 -0.001 0.000 1.093 622 T CA 0.433 62.532 62.100 -0.002 0.000 1.061 622 T CB 1.600 70.464 68.868 -0.006 0.000 1.498 622 T HN 0.218 nan 8.240 nan 0.000 0.494 623 T N 0.350 114.892 114.554 -0.020 0.000 2.942 623 T HA 0.717 5.067 4.350 0.000 0.000 0.289 623 T C 0.011 174.680 174.700 -0.051 0.000 1.044 623 T CA 0.063 62.141 62.100 -0.035 0.000 1.023 623 T CB 0.744 69.570 68.868 -0.069 0.000 1.123 623 T HN 1.056 nan 8.240 nan 0.000 0.512 624 A N 3.334 126.117 122.820 -0.063 0.000 2.624 624 A HA 0.095 4.415 4.320 0.000 0.000 0.231 624 A C 1.685 179.214 177.584 -0.092 0.000 1.034 624 A CA 0.254 52.254 52.037 -0.062 0.000 0.754 624 A CB 0.047 19.005 19.000 -0.069 0.000 0.953 624 A HN 0.902 nan 8.150 nan 0.000 0.509 625 K N 1.985 122.349 120.400 -0.059 0.000 2.063 625 K HA -0.190 4.130 4.320 0.000 0.000 0.208 625 K C 2.257 178.802 176.600 -0.093 0.000 1.048 625 K CA 1.704 57.955 56.287 -0.061 0.000 0.928 625 K CB -0.626 31.851 32.500 -0.039 0.000 0.713 625 K HN 0.885 nan 8.250 nan 0.000 0.442 626 A N 0.768 123.521 122.820 -0.113 0.000 2.139 626 A HA -0.131 4.189 4.320 0.000 0.000 0.221 626 A C 1.890 179.342 177.584 -0.221 0.000 1.159 626 A CA 1.273 53.218 52.037 -0.153 0.000 0.662 626 A CB -0.354 18.554 19.000 -0.154 0.000 0.796 626 A HN 0.276 nan 8.150 nan 0.000 0.463 627 L N -1.799 119.281 121.223 -0.238 0.000 2.766 627 L HA 0.128 4.468 4.340 0.000 0.000 0.242 627 L C 1.606 178.397 176.870 -0.132 0.000 1.136 627 L CA 0.034 54.730 54.840 -0.239 0.000 0.933 627 L CB -0.090 41.761 42.059 -0.347 0.000 1.241 627 L HN 0.325 nan 8.230 nan 0.000 0.522 628 E N 0.971 121.111 120.200 -0.101 0.000 2.333 628 E HA -0.230 4.120 4.350 0.000 0.000 0.198 628 E C 2.094 178.666 176.600 -0.046 0.000 1.007 628 E CA 1.364 57.726 56.400 -0.063 0.000 0.845 628 E CB 0.055 29.726 29.700 -0.049 0.000 0.766 628 E HN 0.656 nan 8.360 nan 0.000 0.507 629 Q N 0.677 120.446 119.800 -0.052 0.000 2.247 629 Q HA 0.239 4.579 4.340 0.000 0.000 0.204 629 Q C 0.562 176.557 176.000 -0.009 0.000 0.872 629 Q CA 0.382 56.167 55.803 -0.030 0.000 0.951 629 Q CB 0.437 29.154 28.738 -0.035 0.000 1.099 629 Q HN 0.133 nan 8.270 nan 0.000 0.501 630 V N -1.398 118.514 119.914 -0.002 0.000 2.495 630 V HA 0.775 4.895 4.120 0.000 0.000 0.298 630 V C 0.245 176.356 176.094 0.029 0.000 1.031 630 V CA 0.405 62.733 62.300 0.048 0.000 0.871 630 V CB 1.939 33.846 31.823 0.140 0.000 0.988 630 V HN 0.192 nan 8.190 nan 0.000 0.432 631 S N 3.584 119.301 115.700 0.028 0.000 2.670 631 S HA 0.214 4.684 4.470 0.000 0.000 0.241 631 S C 0.630 175.236 174.600 0.010 0.000 1.077 631 S CA 0.118 58.325 58.200 0.012 0.000 0.899 631 S CB 0.054 63.257 63.200 0.005 0.000 0.835 631 S HN 0.935 nan 8.310 nan 0.000 0.481 632 Q N 1.797 121.605 119.800 0.013 0.000 2.332 632 Q HA 0.300 4.640 4.340 0.000 0.000 0.263 632 Q C -0.824 175.176 176.000 0.000 0.000 0.979 632 Q CA -0.109 55.696 55.803 0.004 0.000 0.885 632 Q CB 0.331 29.070 28.738 0.000 0.000 1.218 632 Q HN 0.406 nan 8.270 nan 0.000 0.405 633 Q N 1.355 121.155 119.800 -0.001 0.000 2.288 633 Q HA 0.259 4.599 4.340 0.000 0.000 0.254 633 Q C -0.564 175.433 176.000 -0.006 0.000 0.932 633 Q CA -0.358 55.444 55.803 -0.002 0.000 0.902 633 Q CB 1.084 29.824 28.738 0.004 0.000 1.203 633 Q HN 0.566 nan 8.270 nan 0.000 0.415 634 S N 4.127 119.820 115.700 -0.013 0.000 2.549 634 S HA 0.232 4.702 4.470 0.000 0.000 0.279 634 S C -1.898 172.715 174.600 0.023 0.000 1.321 634 S CA -0.991 57.200 58.200 -0.015 0.000 1.054 634 S CB 0.097 63.276 63.200 -0.034 0.000 0.899 634 S HN 0.471 nan 8.310 nan 0.000 0.497 635 P HA 0.272 nan 4.420 nan 0.000 0.276 635 P C -1.348 176.031 177.300 0.133 0.000 1.252 635 P CA -0.372 62.762 63.100 0.056 0.000 0.802 635 P CB 0.446 32.160 31.700 0.023 0.000 1.035 636 Y N 2.065 122.354 120.300 -0.018 0.000 2.307 636 Y HA 0.360 4.910 4.550 0.000 0.000 0.323 636 Y C -2.852 173.040 175.900 -0.013 0.000 1.100 636 Y CA -2.747 55.343 58.100 -0.016 0.000 1.140 636 Y CB 1.789 40.239 38.460 -0.017 0.000 1.159 636 Y HN 0.216 nan 8.280 nan 0.000 0.436 637 P HA 0.160 nan 4.420 nan 0.000 0.285 637 P C -0.298 176.608 177.300 -0.656 0.000 1.259 637 P CA -0.438 62.389 63.100 -0.454 0.000 0.794 637 P CB 1.280 32.831 31.700 -0.248 0.000 0.940 638 M N 6.343 125.719 119.600 -0.373 0.000 2.338 638 M HA 0.110 4.590 4.480 0.000 0.000 0.360 638 M C -2.329 173.855 176.300 -0.193 0.000 1.547 638 M CA -1.147 54.004 55.300 -0.248 0.000 1.001 638 M CB -0.781 31.748 32.600 -0.117 0.000 2.008 638 M HN 0.220 nan 8.290 nan 0.000 0.464 639 P HA 0.131 nan 4.420 nan 0.000 0.275 639 P C -1.110 176.162 177.300 -0.047 0.000 1.270 639 P CA -0.536 62.517 63.100 -0.079 0.000 0.791 639 P CB 0.527 32.214 31.700 -0.022 0.000 1.089 640 S N -0.638 115.045 115.700 -0.029 0.000 2.565 640 S HA 0.169 4.639 4.470 0.000 0.000 0.274 640 S C 0.981 175.573 174.600 -0.012 0.000 1.309 640 S CA -0.640 57.547 58.200 -0.022 0.000 1.043 640 S CB -0.195 62.995 63.200 -0.017 0.000 0.939 640 S HN 0.259 nan 8.310 nan 0.000 0.504 641 V N 1.545 121.450 119.914 -0.014 0.000 3.649 641 V HA 0.284 4.404 4.120 0.000 0.000 0.275 641 V C 0.587 176.674 176.094 -0.012 0.000 1.281 641 V CA -0.312 61.982 62.300 -0.010 0.000 1.143 641 V CB -0.922 30.891 31.823 -0.016 0.000 0.892 641 V HN 0.526 nan 8.190 nan 0.000 0.441 642 K N 0.811 121.203 120.400 -0.014 0.000 2.326 642 K HA 0.223 4.543 4.320 0.000 0.000 0.275 642 K C 0.330 176.926 176.600 -0.006 0.000 1.018 642 K CA 0.260 56.539 56.287 -0.013 0.000 0.962 642 K CB 0.141 32.632 32.500 -0.015 0.000 0.953 642 K HN 0.665 nan 8.250 nan 0.000 0.475 643 D N 0.023 120.419 120.400 -0.006 0.000 2.701 643 D HA -0.213 4.427 4.640 0.000 0.000 0.235 643 D C -0.253 176.050 176.300 0.006 0.000 1.155 643 D CA 1.110 55.109 54.000 -0.000 0.000 0.649 643 D CB -1.095 39.705 40.800 -0.000 0.000 1.050 643 D HN 0.576 nan 8.370 nan 0.000 0.425 644 I N -0.610 119.965 120.570 0.007 0.000 2.752 644 I HA 0.230 4.400 4.170 0.000 0.000 0.295 644 I C -0.318 175.810 176.117 0.018 0.000 1.219 644 I CA -0.630 60.680 61.300 0.016 0.000 1.030 644 I CB 1.766 39.777 38.000 0.019 0.000 1.259 644 I HN -0.012 nan 8.210 nan 0.000 0.423 645 S N 5.522 121.238 115.700 0.026 0.000 2.584 645 S HA 0.441 4.911 4.470 0.000 0.000 0.273 645 S C -2.129 172.492 174.600 0.036 0.000 1.311 645 S CA -0.881 57.337 58.200 0.030 0.000 1.034 645 S CB 1.286 64.507 63.200 0.035 0.000 0.939 645 S HN 0.512 nan 8.310 nan 0.000 0.513 646 P HA -0.042 nan 4.420 nan 0.000 0.216 646 P C 1.674 179.008 177.300 0.056 0.000 1.150 646 P CA 1.716 64.844 63.100 0.047 0.000 0.843 646 P CB -0.365 31.366 31.700 0.051 0.000 0.787 647 G N -0.448 108.387 108.800 0.058 0.000 2.404 647 G HA2 -0.228 3.732 3.960 0.000 0.000 0.215 647 G HA3 -0.228 3.732 3.960 0.000 0.000 0.215 647 G C 1.271 176.212 174.900 0.069 0.000 1.174 647 G CA 0.853 45.993 45.100 0.067 0.000 0.780 647 G HN 0.162 nan 8.290 nan 0.000 0.537 648 D N 0.207 120.644 120.400 0.062 0.000 2.104 648 D HA -0.095 4.545 4.640 0.000 0.000 0.194 648 D C 2.422 178.757 176.300 0.058 0.000 0.994 648 D CA 0.352 54.388 54.000 0.060 0.000 0.830 648 D CB -0.409 40.422 40.800 0.052 0.000 0.959 648 D HN 0.221 nan 8.370 nan 0.000 0.452 649 L N 0.591 121.846 121.223 0.054 0.000 1.989 649 L HA -0.242 4.098 4.340 0.000 0.000 0.211 649 L C 2.280 179.189 176.870 0.066 0.000 1.071 649 L CA 1.711 56.586 54.840 0.057 0.000 0.749 649 L CB -0.408 41.681 42.059 0.050 0.000 0.890 649 L HN -0.004 nan 8.230 nan 0.000 0.431 650 A N -0.327 122.531 122.820 0.064 0.000 1.903 650 A HA -0.356 3.964 4.320 0.000 0.000 0.219 650 A C 2.161 179.781 177.584 0.060 0.000 1.191 650 A CA 2.362 54.438 52.037 0.065 0.000 0.638 650 A CB -0.845 18.196 19.000 0.069 0.000 0.823 650 A HN 0.654 nan 8.150 nan 0.000 0.451 651 E N -0.749 119.489 120.200 0.063 0.000 2.051 651 E HA -0.256 4.094 4.350 0.000 0.000 0.192 651 E C 2.099 178.717 176.600 0.029 0.000 0.991 651 E CA 1.381 57.813 56.400 0.053 0.000 0.799 651 E CB -0.183 29.556 29.700 0.065 0.000 0.748 651 E HN 0.763 nan 8.360 nan 0.000 0.449 652 E N 0.317 120.543 120.200 0.044 0.000 2.070 652 E HA -0.226 4.124 4.350 0.000 0.000 0.197 652 E C 2.272 178.895 176.600 0.038 0.000 1.004 652 E CA 1.283 57.711 56.400 0.046 0.000 0.805 652 E CB -0.116 29.631 29.700 0.079 0.000 0.744 652 E HN 0.299 nan 8.360 nan 0.000 0.451 653 L N 0.188 121.455 121.223 0.073 0.000 2.042 653 L HA -0.214 4.126 4.340 0.000 0.000 0.210 653 L C 2.815 179.661 176.870 -0.039 0.000 1.076 653 L CA 1.340 56.228 54.840 0.080 0.000 0.749 653 L CB -0.441 41.683 42.059 0.108 0.000 0.893 653 L HN 0.146 nan 8.230 nan 0.000 0.432 654 R N -0.188 120.289 120.500 -0.038 0.000 2.120 654 R HA -0.111 4.229 4.340 0.000 0.000 0.234 654 R C 2.229 178.423 176.300 -0.177 0.000 1.123 654 R CA 0.863 56.911 56.100 -0.087 0.000 0.975 654 R CB -0.209 30.061 30.300 -0.049 0.000 0.866 654 R HN 0.356 nan 8.270 nan 0.000 0.446 655 R N 0.318 120.720 120.500 -0.162 0.000 2.341 655 R HA -0.007 4.333 4.340 0.000 0.000 0.213 655 R C 0.483 176.632 176.300 -0.253 0.000 1.082 655 R CA 0.644 56.629 56.100 -0.193 0.000 1.017 655 R CB 0.039 30.278 30.300 -0.102 0.000 0.860 655 R HN 0.269 nan 8.270 nan 0.000 0.473 656 N N 0.347 118.845 118.700 -0.336 0.000 2.365 656 N HA 0.122 4.862 4.740 0.000 0.000 0.257 656 N C -0.216 175.078 175.510 -0.359 0.000 1.287 656 N CA -0.010 52.742 53.050 -0.497 0.000 0.882 656 N CB 1.064 38.839 38.487 -1.188 0.000 1.250 656 N HN 0.037 nan 8.380 nan 0.000 0.507 657 L N -0.439 120.645 121.223 -0.232 0.000 4.232 657 L HA -0.203 4.137 4.340 0.000 0.000 0.415 657 L C -0.248 176.568 176.870 -0.089 0.000 1.168 657 L CA 0.471 55.224 54.840 -0.145 0.000 0.966 657 L CB -2.279 39.712 42.059 -0.114 0.000 2.052 657 L HN -0.041 nan 8.230 nan 0.000 0.887 658 V N 0.311 120.179 119.914 -0.077 0.000 2.743 658 V HA 0.219 4.339 4.120 0.000 0.000 0.301 658 V C 0.819 176.911 176.094 -0.003 0.000 1.057 658 V CA -0.177 62.124 62.300 0.001 0.000 1.006 658 V CB 1.806 33.680 31.823 0.084 0.000 1.024 658 V HN 0.211 nan 8.190 nan 0.000 0.473 659 Q N 5.356 125.160 119.800 0.005 0.000 2.466 659 Q HA 0.320 4.660 4.340 0.000 0.000 0.242 659 Q C -2.473 173.532 176.000 0.007 0.000 1.046 659 Q CA -1.690 54.118 55.803 0.007 0.000 0.841 659 Q CB 1.599 30.340 28.738 0.005 0.000 1.193 659 Q HN 0.515 nan 8.270 nan 0.000 0.508 660 P HA 0.206 nan 4.420 nan 0.000 0.274 660 P C -0.484 176.830 177.300 0.024 0.000 1.237 660 P CA -0.160 62.956 63.100 0.027 0.000 0.793 660 P CB 1.327 33.056 31.700 0.048 0.000 0.977 661 I N 1.534 122.112 120.570 0.012 0.000 2.583 661 I HA 0.134 4.304 4.170 0.000 0.000 0.276 661 I C -0.254 175.907 176.117 0.073 0.000 1.089 661 I CA -0.957 60.358 61.300 0.024 0.000 1.103 661 I CB 1.781 39.708 38.000 -0.121 0.000 1.209 661 I HN -0.037 nan 8.210 nan 0.000 0.484 662 V N 6.582 126.556 119.914 0.100 0.000 2.439 662 V HA 0.114 4.234 4.120 0.000 0.000 0.271 662 V C 0.382 176.569 176.094 0.155 0.000 1.040 662 V CA -0.276 62.093 62.300 0.116 0.000 1.002 662 V CB 1.229 33.109 31.823 0.094 0.000 1.000 662 V HN 0.328 nan 8.190 nan 0.000 0.477 663 V N 6.023 126.056 119.914 0.199 0.000 2.348 663 V HA 0.849 4.969 4.120 0.000 0.000 0.270 663 V C 0.748 176.968 176.094 0.210 0.000 1.037 663 V CA 0.831 63.290 62.300 0.266 0.000 0.872 663 V CB 0.240 32.323 31.823 0.433 0.000 1.002 663 V HN 1.295 nan 8.190 nan 0.000 0.464 664 G N 4.466 113.368 108.800 0.170 0.000 2.422 664 G HA2 0.015 3.975 3.960 0.000 0.000 0.607 664 G HA3 0.015 3.975 3.960 0.000 0.000 0.607 664 G C 0.096 175.047 174.900 0.084 0.000 1.270 664 G CA 0.033 45.207 45.100 0.124 0.000 0.992 664 G HN 1.208 nan 8.290 nan 0.000 0.499 665 T N -2.226 112.366 114.554 0.063 0.000 3.275 665 T HA 0.611 4.961 4.350 0.000 0.000 0.298 665 T C 1.104 175.827 174.700 0.038 0.000 0.988 665 T CA 1.201 63.329 62.100 0.047 0.000 0.936 665 T CB 0.475 69.365 68.868 0.037 0.000 1.159 665 T HN 1.967 nan 8.240 nan 0.000 0.519 666 G N 1.271 110.094 108.800 0.038 0.000 2.606 666 G HA2 0.402 4.362 3.960 0.000 0.000 0.252 666 G HA3 0.402 4.362 3.960 0.000 0.000 0.252 666 G C 0.941 175.856 174.900 0.025 0.000 1.206 666 G CA 0.159 45.274 45.100 0.026 0.000 0.861 666 G HN 0.381 nan 8.290 nan 0.000 0.561 667 T N -2.511 112.054 114.554 0.018 0.000 3.086 667 T HA 0.296 4.646 4.350 0.000 0.000 0.250 667 T C 0.670 175.378 174.700 0.014 0.000 1.074 667 T CA 0.227 62.338 62.100 0.019 0.000 0.988 667 T CB 0.012 68.890 68.868 0.017 0.000 0.988 667 T HN 0.372 nan 8.240 nan 0.000 0.530 668 K N 0.711 121.115 120.400 0.007 0.000 2.385 668 K HA 0.608 4.928 4.320 0.000 0.000 0.248 668 K C -0.971 175.623 176.600 -0.010 0.000 0.955 668 K CA -0.949 55.336 56.287 -0.002 0.000 0.816 668 K CB 2.455 34.949 32.500 -0.010 0.000 1.250 668 K HN 0.130 nan 8.250 nan 0.000 0.434 669 I N 2.623 123.182 120.570 -0.017 0.000 2.352 669 I HA 0.080 4.250 4.170 0.000 0.000 0.290 669 I C 1.308 177.385 176.117 -0.068 0.000 1.036 669 I CA 0.039 61.319 61.300 -0.033 0.000 1.336 669 I CB 1.069 39.055 38.000 -0.023 0.000 1.407 669 I HN 0.677 nan 8.210 nan 0.000 0.497 670 K N 4.444 124.782 120.400 -0.104 0.000 2.276 670 K HA 0.109 4.429 4.320 0.000 0.000 0.198 670 K C 0.353 176.811 176.600 -0.237 0.000 1.052 670 K CA 0.569 56.766 56.287 -0.150 0.000 0.984 670 K CB 0.421 32.831 32.500 -0.150 0.000 0.836 670 K HN 0.657 nan 8.250 nan 0.000 0.490 671 N N -1.052 117.460 118.700 -0.313 0.000 2.961 671 N HA 0.184 4.924 4.740 0.000 0.000 0.245 671 N C -2.225 173.085 175.510 -0.334 0.000 1.404 671 N CA -0.549 52.236 53.050 -0.443 0.000 0.880 671 N CB 2.265 40.215 38.487 -0.896 0.000 1.461 671 N HN -0.006 nan 8.380 nan 0.000 0.510 672 S N -0.949 114.662 115.700 -0.149 0.000 2.588 672 S HA 0.506 4.976 4.470 0.000 0.000 0.275 672 S C 0.382 175.201 174.600 0.365 0.000 1.130 672 S CA 0.025 58.304 58.200 0.131 0.000 0.855 672 S CB 0.813 64.049 63.200 0.061 0.000 1.116 672 S HN 0.652 nan 8.310 nan 0.000 0.472 673 S N 1.852 117.783 115.700 0.385 0.000 2.470 673 S HA 0.401 4.871 4.470 0.000 0.000 0.225 673 S C 0.650 175.323 174.600 0.121 0.000 1.006 673 S CA 0.299 58.653 58.200 0.256 0.000 0.934 673 S CB -0.169 63.059 63.200 0.047 0.000 0.778 673 S HN 1.080 nan 8.310 nan 0.000 0.517 674 A N 1.036 123.909 122.820 0.088 0.000 2.318 674 A HA 0.729 5.050 4.320 0.000 0.000 0.324 674 A C -0.411 177.189 177.584 0.028 0.000 1.170 674 A CA -0.572 51.488 52.037 0.038 0.000 0.810 674 A CB 1.063 20.072 19.000 0.015 0.000 1.198 674 A HN 0.262 nan 8.150 nan 0.000 0.484 675 E N 0.969 121.176 120.200 0.012 0.000 2.349 675 E HA 0.251 4.601 4.350 0.000 0.000 0.265 675 E C 0.251 176.837 176.600 -0.024 0.000 1.064 675 E CA -0.218 56.182 56.400 -0.001 0.000 0.886 675 E CB 0.657 30.357 29.700 -0.000 0.000 1.036 675 E HN 0.662 nan 8.360 nan 0.000 0.413 676 E N 1.833 122.016 120.200 -0.028 0.000 2.480 676 E HA 0.113 4.463 4.350 0.000 0.000 0.258 676 E C 0.505 177.074 176.600 -0.053 0.000 0.984 676 E CA 0.943 57.316 56.400 -0.045 0.000 0.930 676 E CB -0.168 29.509 29.700 -0.037 0.000 0.936 676 E HN 0.711 nan 8.360 nan 0.000 0.466 677 G N 2.885 111.638 108.800 -0.079 0.000 2.279 677 G HA2 -0.272 3.688 3.960 0.000 0.000 0.223 677 G HA3 -0.272 3.688 3.960 0.000 0.000 0.223 677 G C 0.197 175.049 174.900 -0.079 0.000 1.015 677 G CA 0.132 45.185 45.100 -0.077 0.000 0.621 677 G HN 0.606 nan 8.290 nan 0.000 0.506 678 K N 0.374 120.734 120.400 -0.067 0.000 2.380 678 K HA 0.415 4.735 4.320 0.000 0.000 0.267 678 K C 0.328 176.882 176.600 -0.077 0.000 0.990 678 K CA 0.035 56.289 56.287 -0.055 0.000 0.946 678 K CB 0.888 33.367 32.500 -0.035 0.000 0.937 678 K HN 0.620 nan 8.250 nan 0.000 0.491 679 N N 0.382 119.051 118.700 -0.052 0.000 2.529 679 N HA 0.246 4.986 4.740 0.000 0.000 0.278 679 N C -1.325 174.174 175.510 -0.019 0.000 1.146 679 N CA -0.398 52.626 53.050 -0.045 0.000 0.980 679 N CB 0.303 38.779 38.487 -0.018 0.000 1.124 679 N HN 0.236 nan 8.380 nan 0.000 0.458 680 L N 2.448 123.679 121.223 0.014 0.000 2.325 680 L HA 0.590 4.930 4.340 0.000 0.000 0.281 680 L C 0.282 177.207 176.870 0.091 0.000 1.004 680 L CA -1.029 53.849 54.840 0.063 0.000 0.823 680 L CB 0.572 42.708 42.059 0.128 0.000 1.236 680 L HN 0.677 nan 8.230 nan 0.000 0.415 681 A N 5.556 128.404 122.820 0.048 0.000 2.346 681 A HA 0.669 4.989 4.320 0.000 0.000 0.252 681 A C -2.243 175.361 177.584 0.033 0.000 1.089 681 A CA -1.018 51.040 52.037 0.035 0.000 0.797 681 A CB -0.451 18.557 19.000 0.013 0.000 1.047 681 A HN 0.567 nan 8.150 nan 0.000 0.494 682 P HA 0.057 nan 4.420 nan 0.000 0.266 682 P C -0.044 177.254 177.300 -0.004 0.000 1.195 682 P CA 0.444 63.543 63.100 -0.002 0.000 0.768 682 P CB 0.229 31.922 31.700 -0.011 0.000 0.838 683 N N -1.001 117.692 118.700 -0.012 0.000 2.815 683 N HA -0.240 4.500 4.740 0.000 0.000 0.247 683 N C 0.285 175.792 175.510 -0.006 0.000 1.030 683 N CA 0.921 53.965 53.050 -0.009 0.000 0.881 683 N CB -1.304 37.178 38.487 -0.008 0.000 1.134 683 N HN 0.655 nan 8.380 nan 0.000 0.582 684 Q N 1.152 120.952 119.800 0.000 0.000 2.330 684 Q HA 0.053 4.393 4.340 0.000 0.000 0.279 684 Q C -0.255 175.734 176.000 -0.019 0.000 1.024 684 Q CA 0.369 56.167 55.803 -0.008 0.000 0.900 684 Q CB 0.511 29.252 28.738 0.005 0.000 1.221 684 Q HN 0.206 nan 8.270 nan 0.000 0.396 685 Q N 2.123 121.894 119.800 -0.049 0.000 2.288 685 Q HA 0.322 4.662 4.340 0.000 0.000 0.258 685 Q C -1.292 174.655 176.000 -0.089 0.000 0.957 685 Q CA -0.325 55.426 55.803 -0.087 0.000 0.919 685 Q CB 1.392 30.039 28.738 -0.151 0.000 1.185 685 Q HN 0.436 nan 8.270 nan 0.000 0.408 686 V N 5.093 124.968 119.914 -0.067 0.000 2.409 686 V HA 0.276 4.396 4.120 0.000 0.000 0.290 686 V C -0.254 175.821 176.094 -0.032 0.000 1.017 686 V CA -0.651 61.629 62.300 -0.032 0.000 0.841 686 V CB 1.239 33.074 31.823 0.019 0.000 1.003 686 V HN 0.708 nan 8.190 nan 0.000 0.426 687 L N 5.855 127.056 121.223 -0.038 0.000 2.367 687 L HA 0.459 4.799 4.340 0.000 0.000 0.275 687 L C -0.428 176.573 176.870 0.218 0.000 1.129 687 L CA 0.094 54.954 54.840 0.034 0.000 0.839 687 L CB 0.877 42.908 42.059 -0.047 0.000 1.133 687 L HN 0.517 nan 8.230 nan 0.000 0.453 688 I N 4.999 125.681 120.570 0.186 0.000 2.411 688 I HA 0.194 4.364 4.170 0.000 0.000 0.284 688 I C -0.628 175.592 176.117 0.170 0.000 1.012 688 I CA -0.597 60.794 61.300 0.152 0.000 1.119 688 I CB 1.863 39.918 38.000 0.092 0.000 1.261 688 I HN 0.339 nan 8.210 nan 0.000 0.448 689 L N 7.605 128.888 121.223 0.100 0.000 2.261 689 L HA 0.367 4.707 4.340 0.000 0.000 0.289 689 L C 0.682 177.546 176.870 -0.010 0.000 1.059 689 L CA 0.232 55.104 54.840 0.054 0.000 0.816 689 L CB 0.876 42.806 42.059 -0.213 0.000 1.191 689 L HN 0.707 nan 8.230 nan 0.000 0.431 690 S N 2.078 117.807 115.700 0.047 0.000 2.600 690 S HA 0.170 4.640 4.470 0.000 0.000 0.265 690 S C 0.467 175.068 174.600 0.002 0.000 1.325 690 S CA -0.151 58.063 58.200 0.024 0.000 1.002 690 S CB 0.711 63.941 63.200 0.049 0.000 0.921 690 S HN 0.697 nan 8.310 nan 0.000 0.554 691 D N -0.495 119.900 120.400 -0.007 0.000 2.663 691 D HA 0.144 4.784 4.640 0.000 0.000 0.243 691 D C -0.038 176.261 176.300 -0.000 0.000 1.218 691 D CA -0.115 53.875 54.000 -0.017 0.000 0.846 691 D CB -0.678 40.109 40.800 -0.022 0.000 1.014 691 D HN 0.660 nan 8.370 nan 0.000 0.476 692 K N 0.086 120.496 120.400 0.018 0.000 2.599 692 K HA 0.430 4.750 4.320 0.000 0.000 0.300 692 K C -1.954 174.676 176.600 0.051 0.000 1.437 692 K CA -0.299 56.004 56.287 0.027 0.000 0.989 692 K CB 0.424 32.938 32.500 0.022 0.000 1.423 692 K HN 0.032 nan 8.250 nan 0.000 0.507 693 A N 3.641 126.499 122.820 0.064 0.000 2.399 693 A HA 0.364 4.684 4.320 0.000 0.000 0.327 693 A C 0.089 177.728 177.584 0.091 0.000 1.367 693 A CA -0.551 51.549 52.037 0.106 0.000 0.842 693 A CB 0.493 19.592 19.000 0.165 0.000 1.142 693 A HN 0.762 nan 8.150 nan 0.000 0.495 694 E N 1.252 121.497 120.200 0.074 0.000 2.460 694 E HA 0.050 4.400 4.350 0.000 0.000 0.200 694 E C -0.395 176.241 176.600 0.061 0.000 1.011 694 E CA 0.376 56.809 56.400 0.056 0.000 0.912 694 E CB 0.643 30.364 29.700 0.035 0.000 0.953 694 E HN 0.813 nan 8.360 nan 0.000 0.494 695 E N 1.145 121.390 120.200 0.075 0.000 2.222 695 E HA 0.291 4.641 4.350 0.000 0.000 0.267 695 E C -0.841 175.811 176.600 0.087 0.000 0.884 695 E CA -0.674 55.761 56.400 0.058 0.000 0.764 695 E CB 2.945 32.657 29.700 0.021 0.000 1.169 695 E HN -0.176 nan 8.360 nan 0.000 0.413 696 V N 5.113 125.067 119.914 0.067 0.000 2.584 696 V HA 0.014 4.134 4.120 0.000 0.000 0.303 696 V C -1.638 174.424 176.094 -0.054 0.000 1.035 696 V CA -0.444 61.891 62.300 0.058 0.000 1.172 696 V CB -0.311 31.516 31.823 0.007 0.000 0.896 696 V HN 0.620 nan 8.190 nan 0.000 0.486 697 P HA 0.168 nan 4.420 nan 0.000 0.280 697 P C -0.772 176.299 177.300 -0.383 0.000 1.272 697 P CA -0.629 62.332 63.100 -0.232 0.000 0.819 697 P CB 0.901 32.470 31.700 -0.218 0.000 1.122 698 D N 1.449 121.654 120.400 -0.324 0.000 2.402 698 D HA 0.126 4.766 4.640 0.000 0.000 0.235 698 D C 0.773 176.707 176.300 -0.610 0.000 1.226 698 D CA -0.023 53.766 54.000 -0.351 0.000 0.918 698 D CB -0.042 40.629 40.800 -0.215 0.000 1.043 698 D HN 0.185 nan 8.370 nan 0.000 0.506 699 M N 3.174 122.227 119.600 -0.912 0.000 2.696 699 M HA -0.019 4.461 4.480 0.000 0.000 0.220 699 M C 0.115 175.935 176.300 -0.799 0.000 1.133 699 M CA -0.202 54.138 55.300 -1.600 0.000 1.016 699 M CB -0.187 31.537 32.600 -1.460 0.000 1.740 699 M HN 0.301 nan 8.290 nan 0.000 0.502 700 Y N 1.082 121.105 120.300 -0.461 0.000 2.632 700 Y HA 0.274 4.825 4.550 0.000 0.000 0.329 700 Y C 1.231 177.098 175.900 -0.055 0.000 1.174 700 Y CA 1.381 59.361 58.100 -0.200 0.000 1.469 700 Y CB 0.316 38.690 38.460 -0.144 0.000 1.242 700 Y HN 0.488 nan 8.280 nan 0.000 0.540 701 G N 3.292 112.011 108.800 -0.136 0.000 2.234 701 G HA2 -0.301 3.659 3.960 0.000 0.000 0.235 701 G HA3 -0.301 3.659 3.960 0.000 0.000 0.235 701 G C -0.137 174.885 174.900 0.204 0.000 0.997 701 G CA -0.184 44.971 45.100 0.093 0.000 0.623 701 G HN 0.580 nan 8.290 nan 0.000 0.514 702 W N 2.523 123.777 121.300 -0.076 0.000 2.170 702 W HA 0.505 5.165 4.660 0.000 0.000 0.342 702 W C 1.355 177.831 176.519 -0.072 0.000 1.294 702 W CA 0.477 57.782 57.345 -0.066 0.000 1.246 702 W CB 0.039 29.456 29.460 -0.072 0.000 1.156 702 W HN 0.467 nan 8.180 nan 0.000 0.572 703 T N -0.794 113.820 114.554 0.101 0.000 2.922 703 T HA 0.234 4.584 4.350 0.000 0.000 0.285 703 T C 1.176 175.887 174.700 0.019 0.000 1.005 703 T CA -0.794 61.315 62.100 0.014 0.000 1.061 703 T CB 1.655 70.498 68.868 -0.042 0.000 1.007 703 T HN 0.511 nan 8.240 nan 0.000 0.502 704 K N 0.747 121.103 120.400 -0.073 0.000 2.077 704 K HA -0.271 4.049 4.320 0.000 0.000 0.213 704 K C 1.900 178.475 176.600 -0.042 0.000 1.051 704 K CA 2.230 58.415 56.287 -0.170 0.000 0.929 704 K CB -0.217 32.035 32.500 -0.414 0.000 0.715 704 K HN 0.714 nan 8.250 nan 0.000 0.451 705 E N -0.273 119.884 120.200 -0.073 0.000 2.051 705 E HA -0.142 4.208 4.350 0.000 0.000 0.192 705 E C 2.069 178.617 176.600 -0.086 0.000 0.991 705 E CA 1.847 58.206 56.400 -0.068 0.000 0.799 705 E CB -0.571 29.079 29.700 -0.083 0.000 0.748 705 E HN 0.303 nan 8.360 nan 0.000 0.449 706 T N 0.465 114.947 114.554 -0.119 0.000 2.652 706 T HA -0.222 4.128 4.350 0.000 0.000 0.267 706 T C 1.887 176.485 174.700 -0.169 0.000 1.039 706 T CA 1.711 63.654 62.100 -0.261 0.000 1.153 706 T CB -0.527 68.085 68.868 -0.426 0.000 0.863 706 T HN 0.313 nan 8.240 nan 0.000 0.428 707 A N 1.570 124.472 122.820 0.137 0.000 1.892 707 A HA -0.217 4.104 4.320 0.000 0.000 0.218 707 A C 2.128 179.884 177.584 0.286 0.000 1.188 707 A CA 2.049 54.342 52.037 0.426 0.000 0.631 707 A CB -0.700 18.606 19.000 0.510 0.000 0.822 707 A HN 0.642 nan 8.150 nan 0.000 0.447 708 E N -1.099 119.218 120.200 0.196 0.000 2.204 708 E HA -0.118 4.232 4.350 0.000 0.000 0.195 708 E C 1.960 178.537 176.600 -0.037 0.000 0.990 708 E CA 1.357 57.831 56.400 0.123 0.000 0.821 708 E CB -0.272 29.495 29.700 0.112 0.000 0.750 708 E HN 0.642 nan 8.360 nan 0.000 0.477 709 T N 0.842 115.289 114.554 -0.178 0.000 2.732 709 T HA -0.129 4.221 4.350 0.000 0.000 0.261 709 T C 1.463 175.751 174.700 -0.687 0.000 1.040 709 T CA 0.891 62.689 62.100 -0.504 0.000 1.145 709 T CB -0.374 68.081 68.868 -0.688 0.000 0.866 709 T HN 0.194 nan 8.240 nan 0.000 0.427 710 F N 2.570 122.184 119.950 -0.561 0.000 2.065 710 F HA -0.118 4.409 4.527 0.000 0.000 0.298 710 F C 2.414 178.194 175.800 -0.033 0.000 1.112 710 F CA 1.262 59.115 58.000 -0.245 0.000 1.212 710 F CB -0.849 38.214 39.000 0.104 0.000 0.975 710 F HN 0.150 nan 8.300 nan 0.000 0.476 711 A N 0.657 123.531 122.820 0.090 0.000 1.859 711 A HA -0.317 4.003 4.320 0.000 0.000 0.218 711 A C 2.297 179.830 177.584 -0.085 0.000 1.209 711 A CA 2.464 54.502 52.037 0.001 0.000 0.639 711 A CB -1.109 17.940 19.000 0.081 0.000 0.835 711 A HN 0.507 nan 8.150 nan 0.000 0.450 712 K N -1.685 118.674 120.400 -0.068 0.000 2.074 712 K HA -0.225 4.095 4.320 0.000 0.000 0.209 712 K C 1.873 178.532 176.600 0.097 0.000 1.048 712 K CA 1.700 57.983 56.287 -0.007 0.000 0.926 712 K CB -0.274 32.221 32.500 -0.008 0.000 0.713 712 K HN 0.725 nan 8.250 nan 0.000 0.444 713 W N 0.894 122.124 121.300 -0.115 0.000 2.354 713 W HA -0.078 4.582 4.660 0.000 0.000 0.315 713 W C 1.700 178.097 176.519 -0.203 0.000 1.206 713 W CA 0.744 58.004 57.345 -0.141 0.000 1.290 713 W CB -0.847 28.531 29.460 -0.137 0.000 1.152 713 W HN 0.005 nan 8.180 nan 0.000 0.489 714 L N 0.723 121.878 121.223 -0.113 0.000 2.599 714 L HA 0.002 4.343 4.340 0.000 0.000 0.230 714 L C 0.467 177.271 176.870 -0.110 0.000 1.141 714 L CA 0.403 55.125 54.840 -0.197 0.000 0.877 714 L CB -1.196 40.578 42.059 -0.474 0.000 1.009 714 L HN 0.083 nan 8.230 nan 0.000 0.447 715 N N 1.478 120.141 118.700 -0.061 0.000 2.714 715 N HA -0.203 4.537 4.740 0.000 0.000 0.253 715 N C -0.482 175.006 175.510 -0.038 0.000 1.024 715 N CA 0.310 53.341 53.050 -0.031 0.000 0.726 715 N CB -0.472 38.006 38.487 -0.015 0.000 0.908 715 N HN 0.395 nan 8.380 nan 0.000 0.542 716 I N -1.307 119.235 120.570 -0.047 0.000 2.689 716 I HA 0.488 4.658 4.170 0.000 0.000 0.299 716 I C -0.097 176.009 176.117 -0.019 0.000 1.059 716 I CA -0.913 60.371 61.300 -0.027 0.000 1.055 716 I CB 1.955 39.946 38.000 -0.015 0.000 1.243 716 I HN 0.268 nan 8.210 nan 0.000 0.425 717 E N 5.713 125.899 120.200 -0.024 0.000 2.331 717 E HA 0.491 4.841 4.350 0.000 0.000 0.272 717 E C -1.479 175.078 176.600 -0.071 0.000 1.036 717 E CA -0.592 55.787 56.400 -0.036 0.000 0.864 717 E CB 1.247 30.927 29.700 -0.033 0.000 1.035 717 E HN 0.655 nan 8.360 nan 0.000 0.408 718 L N 3.217 124.371 121.223 -0.115 0.000 2.334 718 L HA 0.484 4.824 4.340 0.000 0.000 0.273 718 L C -0.182 176.495 176.870 -0.321 0.000 1.013 718 L CA -0.682 53.996 54.840 -0.270 0.000 0.816 718 L CB 1.852 43.669 42.059 -0.403 0.000 1.278 718 L HN 0.622 nan 8.230 nan 0.000 0.431 719 E N 1.837 121.791 120.200 -0.410 0.000 2.241 719 E HA 0.423 4.773 4.350 0.000 0.000 0.263 719 E C -1.820 174.556 176.600 -0.374 0.000 0.882 719 E CA -0.609 55.629 56.400 -0.270 0.000 0.769 719 E CB 1.550 31.170 29.700 -0.134 0.000 1.185 719 E HN 0.282 nan 8.360 nan 0.000 0.415 720 F N 1.678 121.625 119.950 -0.005 0.000 2.411 720 F HA 0.223 4.750 4.527 0.000 0.000 0.352 720 F C 0.446 176.238 175.800 -0.013 0.000 1.123 720 F CA -0.563 57.430 58.000 -0.011 0.000 1.044 720 F CB 1.761 40.755 39.000 -0.010 0.000 1.135 720 F HN 0.287 nan 8.300 nan 0.000 0.461 721 E N 2.689 122.987 120.200 0.163 0.000 2.227 721 E HA 0.772 5.122 4.350 0.000 0.000 0.268 721 E C -0.027 176.620 176.600 0.078 0.000 0.907 721 E CA -0.397 56.055 56.400 0.087 0.000 0.786 721 E CB 1.324 31.049 29.700 0.040 0.000 1.191 721 E HN 1.534 nan 8.360 nan 0.000 0.411 722 G N 1.629 110.457 108.800 0.047 0.000 2.819 722 G HA2 -0.068 3.892 3.960 0.000 0.000 0.682 722 G HA3 -0.068 3.892 3.960 0.000 0.000 0.682 722 G C 0.199 175.109 174.900 0.016 0.000 1.481 722 G CA -0.159 44.957 45.100 0.026 0.000 0.904 722 G HN 1.856 nan 8.290 nan 0.000 0.563 723 S N -0.004 115.693 115.700 -0.005 0.000 2.745 723 S HA 1.062 5.532 4.470 0.000 0.000 0.292 723 S C 0.696 175.275 174.600 -0.036 0.000 1.133 723 S CA 0.442 58.627 58.200 -0.026 0.000 0.998 723 S CB 2.077 65.263 63.200 -0.025 0.000 1.087 723 S HN 2.929 nan 8.310 nan 0.000 0.551 724 G N -0.324 108.444 108.800 -0.054 0.000 2.339 724 G HA2 0.278 4.238 3.960 0.000 0.000 0.381 724 G HA3 0.278 4.238 3.960 0.000 0.000 0.381 724 G C 0.163 175.017 174.900 -0.078 0.000 1.400 724 G CA 0.027 45.093 45.100 -0.056 0.000 1.002 724 G HN 1.480 nan 8.290 nan 0.000 0.633 725 S N -1.806 113.853 115.700 -0.068 0.000 2.441 725 S HA 0.410 4.880 4.470 0.000 0.000 0.224 725 S C 1.223 175.778 174.600 -0.075 0.000 1.043 725 S CA 1.779 59.936 58.200 -0.072 0.000 0.948 725 S CB 0.010 63.180 63.200 -0.050 0.000 0.810 725 S HN 2.104 nan 8.310 nan 0.000 0.504 726 T N -0.555 113.954 114.554 -0.076 0.000 2.916 726 T HA 0.689 5.039 4.350 0.000 0.000 0.292 726 T C -0.536 174.089 174.700 -0.124 0.000 1.055 726 T CA -0.828 61.225 62.100 -0.078 0.000 1.009 726 T CB 1.547 70.370 68.868 -0.075 0.000 1.118 726 T HN 0.002 nan 8.240 nan 0.000 0.497 727 V N 3.272 123.119 119.914 -0.112 0.000 2.485 727 V HA 0.111 4.231 4.120 0.000 0.000 0.287 727 V C 1.000 176.823 176.094 -0.451 0.000 1.022 727 V CA 0.152 62.357 62.300 -0.159 0.000 1.067 727 V CB 0.610 32.377 31.823 -0.094 0.000 0.967 727 V HN 0.895 nan 8.190 nan 0.000 0.479 728 Q N 3.275 122.861 119.800 -0.357 0.000 2.402 728 Q HA 0.244 4.584 4.340 0.000 0.000 0.231 728 Q C 0.751 176.654 176.000 -0.162 0.000 0.888 728 Q CA 0.647 56.176 55.803 -0.456 0.000 0.938 728 Q CB 0.596 29.225 28.738 -0.182 0.000 1.086 728 Q HN 0.812 nan 8.270 nan 0.000 0.543 729 K N 1.354 121.694 120.400 -0.099 0.000 2.523 729 K HA 0.512 4.832 4.320 0.000 0.000 0.257 729 K C -1.273 175.290 176.600 -0.061 0.000 0.932 729 K CA -0.861 55.407 56.287 -0.033 0.000 0.812 729 K CB 1.290 33.786 32.500 -0.005 0.000 1.326 729 K HN 0.167 nan 8.250 nan 0.000 0.433 730 Q N 0.574 120.332 119.800 -0.070 0.000 2.356 730 Q HA 0.476 4.816 4.340 0.000 0.000 0.270 730 Q C -0.516 175.440 176.000 -0.073 0.000 1.058 730 Q CA -0.634 55.111 55.803 -0.095 0.000 0.802 730 Q CB 2.128 30.777 28.738 -0.149 0.000 1.303 730 Q HN 0.700 nan 8.270 nan 0.000 0.444 731 D N 2.014 122.373 120.400 -0.068 0.000 2.106 731 D HA -0.084 4.556 4.640 0.000 0.000 0.203 731 D C 0.662 176.930 176.300 -0.054 0.000 0.977 731 D CA 0.473 54.441 54.000 -0.052 0.000 0.844 731 D CB -0.532 40.241 40.800 -0.045 0.000 1.002 731 D HN 0.331 nan 8.370 nan 0.000 0.461 732 V N 2.796 122.675 119.914 -0.057 0.000 2.509 732 V HA 0.008 4.128 4.120 0.000 0.000 0.297 732 V C 0.945 176.996 176.094 -0.072 0.000 1.014 732 V CA -0.137 62.131 62.300 -0.053 0.000 1.127 732 V CB -0.723 31.075 31.823 -0.042 0.000 0.925 732 V HN 0.320 nan 8.190 nan 0.000 0.480 733 R N 5.109 125.566 120.500 -0.070 0.000 2.560 733 R HA 0.680 5.020 4.340 0.000 0.000 0.270 733 R C 0.195 176.430 176.300 -0.107 0.000 1.074 733 R CA -0.086 55.958 56.100 -0.093 0.000 1.140 733 R CB 0.584 30.828 30.300 -0.092 0.000 1.073 733 R HN 0.713 nan 8.270 nan 0.000 0.527 734 A N 2.226 124.964 122.820 -0.137 0.000 2.531 734 A HA 0.118 4.438 4.320 0.000 0.000 0.236 734 A C -0.005 177.504 177.584 -0.124 0.000 1.062 734 A CA 0.178 52.127 52.037 -0.146 0.000 0.760 734 A CB -0.339 18.555 19.000 -0.177 0.000 0.995 734 A HN 1.013 nan 8.150 nan 0.000 0.501 735 N N -0.899 117.745 118.700 -0.093 0.000 2.962 735 N HA -0.138 4.602 4.740 0.000 0.000 0.206 735 N C 0.278 175.760 175.510 -0.047 0.000 0.907 735 N CA 1.639 54.647 53.050 -0.069 0.000 1.029 735 N CB -2.120 36.311 38.487 -0.094 0.000 1.009 735 N HN 0.743 nan 8.380 nan 0.000 0.587 736 T N 1.696 116.221 114.554 -0.049 0.000 2.946 736 T HA 0.305 4.655 4.350 0.000 0.000 0.312 736 T C 0.924 175.619 174.700 -0.010 0.000 1.066 736 T CA 0.671 62.752 62.100 -0.032 0.000 1.138 736 T CB 0.573 69.422 68.868 -0.032 0.000 1.014 736 T HN 0.426 nan 8.240 nan 0.000 0.544 737 A N 3.198 126.015 122.820 -0.004 0.000 2.520 737 A HA 0.245 4.566 4.320 0.000 0.000 0.245 737 A C 1.359 178.954 177.584 0.019 0.000 1.072 737 A CA -0.301 51.742 52.037 0.009 0.000 0.761 737 A CB -0.300 18.703 19.000 0.005 0.000 1.004 737 A HN 1.035 nan 8.150 nan 0.000 0.499 738 I N 2.687 123.279 120.570 0.036 0.000 3.030 738 I HA -0.008 4.162 4.170 0.000 0.000 0.270 738 I C 2.546 178.680 176.117 0.029 0.000 1.211 738 I CA 1.294 62.623 61.300 0.048 0.000 1.479 738 I CB -0.216 37.838 38.000 0.090 0.000 1.105 738 I HN 0.811 nan 8.210 nan 0.000 0.447 739 K N 0.523 120.935 120.400 0.021 0.000 2.169 739 K HA -0.340 3.980 4.320 0.000 0.000 0.213 739 K C 1.334 177.938 176.600 0.006 0.000 1.050 739 K CA 2.791 59.085 56.287 0.011 0.000 0.935 739 K CB -1.457 31.048 32.500 0.009 0.000 0.722 739 K HN 0.663 nan 8.250 nan 0.000 0.468 740 D N -1.954 118.449 120.400 0.006 0.000 2.469 740 D HA 0.252 4.892 4.640 0.000 0.000 0.213 740 D C -0.629 175.671 176.300 0.001 0.000 1.135 740 D CA -0.537 53.465 54.000 0.002 0.000 0.834 740 D CB 0.329 41.129 40.800 0.000 0.000 1.009 740 D HN 0.375 nan 8.370 nan 0.000 0.507 741 I N 1.196 121.770 120.570 0.006 0.000 2.556 741 I HA 0.187 4.357 4.170 0.000 0.000 0.284 741 I C 1.550 177.667 176.117 0.001 0.000 1.114 741 I CA 0.474 61.777 61.300 0.004 0.000 1.418 741 I CB 0.992 39.001 38.000 0.015 0.000 1.394 741 I HN -0.046 nan 8.210 nan 0.000 0.552 742 K N 5.780 126.177 120.400 -0.005 0.000 2.402 742 K HA 0.345 4.665 4.320 0.000 0.000 0.204 742 K C 0.559 177.150 176.600 -0.015 0.000 1.056 742 K CA 0.129 56.411 56.287 -0.009 0.000 1.069 742 K CB 0.274 32.768 32.500 -0.010 0.000 0.888 742 K HN 0.665 nan 8.250 nan 0.000 0.546 743 K N -0.049 120.340 120.400 -0.017 0.000 2.589 743 K HA 0.596 4.916 4.320 0.000 0.000 0.265 743 K C -2.048 174.529 176.600 -0.038 0.000 0.935 743 K CA -0.584 55.684 56.287 -0.031 0.000 0.850 743 K CB 1.544 34.023 32.500 -0.035 0.000 1.372 743 K HN 0.093 nan 8.250 nan 0.000 0.420 744 I N 2.669 123.202 120.570 -0.062 0.000 2.619 744 I HA 0.338 4.508 4.170 0.000 0.000 0.292 744 I C -0.962 175.071 176.117 -0.140 0.000 1.100 744 I CA -0.918 60.334 61.300 -0.080 0.000 1.043 744 I CB 2.290 40.255 38.000 -0.057 0.000 1.239 744 I HN 0.493 nan 8.210 nan 0.000 0.420 745 K N 6.997 127.323 120.400 -0.123 0.000 2.265 745 K HA 0.673 4.993 4.320 0.000 0.000 0.267 745 K C -1.620 174.898 176.600 -0.137 0.000 0.994 745 K CA -0.456 55.746 56.287 -0.141 0.000 0.860 745 K CB 0.998 33.447 32.500 -0.085 0.000 1.099 745 K HN 0.555 nan 8.250 nan 0.000 0.448 746 L N 3.138 124.251 121.223 -0.184 0.000 2.334 746 L HA 0.428 4.768 4.340 0.000 0.000 0.276 746 L C -0.293 176.605 176.870 0.046 0.000 1.014 746 L CA -0.918 53.872 54.840 -0.083 0.000 0.815 746 L CB 2.187 44.198 42.059 -0.081 0.000 1.268 746 L HN 0.611 nan 8.230 nan 0.000 0.428 747 T N 3.475 118.049 114.554 0.032 0.000 2.794 747 T HA 0.568 4.918 4.350 0.000 0.000 0.280 747 T C -0.070 174.647 174.700 0.028 0.000 0.987 747 T CA -0.489 61.636 62.100 0.042 0.000 0.993 747 T CB 1.170 70.040 68.868 0.004 0.000 0.939 747 T HN 0.266 nan 8.240 nan 0.000 0.449 748 L N 2.239 123.486 121.223 0.039 0.000 2.379 748 L HA 0.808 5.148 4.340 0.000 0.000 0.269 748 L C 0.801 177.648 176.870 -0.039 0.000 1.084 748 L CA -0.596 54.235 54.840 -0.015 0.000 0.802 748 L CB 1.249 43.289 42.059 -0.031 0.000 1.175 748 L HN 0.795 nan 8.230 nan 0.000 0.448 749 G N 0.064 108.824 108.800 -0.066 0.000 2.718 749 G HA2 0.590 4.550 3.960 0.000 0.000 0.295 749 G HA3 0.590 4.550 3.960 0.000 0.000 0.295 749 G C -1.745 173.128 174.900 -0.045 0.000 1.421 749 G CA -0.197 44.873 45.100 -0.050 0.000 0.902 749 G HN 0.622 nan 8.290 nan 0.000 0.501 750 D N 0.000 120.385 120.400 -0.025 0.000 6.856 750 D HA 0.000 4.640 4.640 0.000 0.000 0.175 750 D CA 0.000 53.989 54.000 -0.018 0.000 0.868 750 D CB 0.000 40.791 40.800 -0.015 0.000 0.688 750 D HN 0.000 nan 8.370 nan 0.000 0.683