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 1nnc_1_A DATA FIRST_RESID 12 DATA SEQUENCE WXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXYXX XXXXXXXXXX RDFNNLTKGL cTINSWHIYG KDNAVRIGED DATA SEQUENCE SDVLVTREPY VScDPDEcRF YALSQGTTIR GKHSNGTIHD RSQYRALISW DATA SEQUENCE PLSSPPTVNS RVEcIGWSST ScHDGKTRMS IcISGPNNNA SAVIWYNRRP DATA SEQUENCE VTEINTWARN ILRTQESEcV cHNGVcPVVF TDGSATGPAE TRIYYFKEGK DATA SEQUENCE ILKWEPLAGT AKHIEEcScY GERAEITcTc RDNWQGSNRP VIRIDPVAMT DATA SEQUENCE HTSQYIcSPV LTDNPRPNDP TVXGKcNDPY PGNNNNGVKG FSYLDGVNTW DATA SEQUENCE LGRTISIASR SGYEMLKVPN ALTDDKSKPT QXGQTIVLNT DWSGYSGSFM DATA SEQUENCE DAEGEcYRAc FYVELIRGRP KEDKVWWTSN SIVSMcSSTE FLGQWDWPDG DATA SEQUENCE AKIEYFL 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 12 W HA 0.000 nan 4.660 nan 0.000 0.303 12 W C 0.000 176.567 176.519 0.079 0.000 1.175 12 W CA 0.000 57.390 57.345 0.075 0.000 1.226 12 W CB 0.000 29.477 29.460 0.029 0.000 1.126 83 D N 0.148 120.551 120.400 0.004 0.000 2.414 83 D HA 0.433 5.074 4.640 0.002 0.000 0.241 83 D C -0.664 175.676 176.300 0.067 0.000 1.008 83 D CA -0.539 53.431 54.000 -0.050 0.000 1.001 83 D CB 1.136 41.946 40.800 0.016 0.000 1.277 83 D HN -0.198 nan 8.370 nan 0.000 0.538 84 F N 1.400 121.431 119.950 0.136 0.000 2.572 84 F HA 0.067 4.596 4.527 0.003 0.000 0.370 84 F C 1.304 177.197 175.800 0.155 0.000 1.103 84 F CA -0.274 57.820 58.000 0.157 0.000 1.286 84 F CB -0.200 38.859 39.000 0.098 0.000 1.105 84 F HN 0.175 nan 8.300 nan 0.000 0.583 85 N N 2.772 121.739 118.700 0.445 0.000 2.518 85 N HA 0.112 4.853 4.740 0.002 0.000 0.266 85 N C -1.011 174.566 175.510 0.111 0.000 1.196 85 N CA -0.068 53.150 53.050 0.279 0.000 0.947 85 N CB 0.310 38.964 38.487 0.279 0.000 1.098 85 N HN 0.426 nan 8.380 nan 0.000 0.450 86 N N 2.563 121.297 118.700 0.057 0.000 2.269 86 N HA 0.292 5.033 4.740 0.002 0.000 0.304 86 N C -0.895 174.746 175.510 0.218 0.000 1.072 86 N CA -0.482 52.567 53.050 -0.002 0.000 0.802 86 N CB 1.468 39.931 38.487 -0.040 0.000 1.348 86 N HN 0.452 nan 8.380 nan 0.000 0.484 87 L N 1.827 123.329 121.223 0.465 0.000 2.384 87 L HA 0.144 4.486 4.340 0.002 0.000 0.258 87 L C 1.575 178.633 176.870 0.313 0.000 1.266 87 L CA -0.059 55.028 54.840 0.411 0.000 1.162 87 L CB -0.679 41.573 42.059 0.322 0.000 1.375 87 L HN 0.665 nan 8.230 nan 0.000 0.420 88 T N -2.678 112.008 114.554 0.219 0.000 3.060 88 T HA 0.143 4.495 4.350 0.002 0.000 0.249 88 T C 0.782 175.438 174.700 -0.074 0.000 1.079 88 T CA -0.069 62.077 62.100 0.078 0.000 1.013 88 T CB 0.211 69.115 68.868 0.059 0.000 0.975 88 T HN 0.319 nan 8.240 nan 0.000 0.518 89 K N 0.577 120.796 120.400 -0.302 0.000 2.185 89 K HA 0.671 4.992 4.320 0.002 0.000 0.240 89 K C 0.324 176.699 176.600 -0.374 0.000 0.983 89 K CA -1.068 54.902 56.287 -0.528 0.000 0.873 89 K CB 1.591 33.452 32.500 -1.065 0.000 1.118 89 K HN 0.203 nan 8.250 nan 0.000 0.441 90 G N 0.477 109.130 108.800 -0.244 0.000 2.521 90 G HA2 0.472 4.433 3.960 0.002 0.000 0.323 90 G HA3 0.472 4.433 3.960 0.002 0.000 0.323 90 G C -0.506 174.355 174.900 -0.064 0.000 1.211 90 G CA -0.935 44.122 45.100 -0.072 0.000 0.979 90 G HN 0.346 nan 8.290 nan 0.000 0.490 91 L N -0.208 121.037 121.223 0.036 0.000 2.417 91 L HA 0.203 4.544 4.340 0.002 0.000 0.268 91 L C 0.477 177.312 176.870 -0.057 0.000 1.158 91 L CA -0.731 54.118 54.840 0.015 0.000 0.819 91 L CB 0.756 42.830 42.059 0.024 0.000 1.112 91 L HN 0.382 nan 8.230 nan 0.000 0.458 92 c N 0.958 119.496 118.600 -0.102 0.000 2.649 92 c HA 0.143 4.714 4.570 0.002 0.000 0.377 92 c C 0.991 174.992 174.090 -0.148 0.000 1.321 92 c CA -0.570 55.683 56.329 -0.126 0.000 2.368 92 c CB 0.238 42.657 42.510 -0.152 0.000 2.597 92 c HN 0.694 nan 8.230 nan 0.000 0.678 93 T N 2.725 117.200 114.554 -0.132 0.000 2.834 93 T HA 0.255 4.606 4.350 0.002 0.000 0.298 93 T C -0.054 174.504 174.700 -0.236 0.000 0.966 93 T CA 0.391 62.417 62.100 -0.124 0.000 1.141 93 T CB -0.103 68.713 68.868 -0.087 0.000 0.905 93 T HN 0.363 nan 8.240 nan 0.000 0.535 94 I N 4.190 124.611 120.570 -0.247 0.000 2.291 94 I HA 0.249 4.420 4.170 0.002 0.000 0.290 94 I C 1.039 176.959 176.117 -0.328 0.000 1.050 94 I CA -0.218 60.765 61.300 -0.529 0.000 1.245 94 I CB 0.469 37.968 38.000 -0.834 0.000 1.405 94 I HN 0.710 nan 8.210 nan 0.000 0.478 95 N N 2.936 121.341 118.700 -0.491 0.000 2.322 95 N HA 0.068 4.810 4.740 0.002 0.000 0.181 95 N C -0.023 175.247 175.510 -0.399 0.000 1.088 95 N CA 0.004 52.735 53.050 -0.531 0.000 0.885 95 N CB 0.509 38.249 38.487 -1.245 0.000 1.013 95 N HN 0.720 nan 8.380 nan 0.000 0.472 96 S N -1.285 114.061 115.700 -0.591 0.000 2.669 96 S HA 0.421 4.893 4.470 0.002 0.000 0.266 96 S C -2.317 171.802 174.600 -0.801 0.000 1.149 96 S CA -1.108 56.822 58.200 -0.450 0.000 0.842 96 S CB 0.896 64.059 63.200 -0.060 0.000 1.160 96 S HN 0.166 nan 8.310 nan 0.000 0.487 97 W N 1.613 122.839 121.300 -0.122 0.000 2.785 97 W HA 0.668 5.329 4.660 0.002 0.000 0.333 97 W C 0.046 176.575 176.519 0.017 0.000 1.062 97 W CA -0.403 56.873 57.345 -0.115 0.000 1.233 97 W CB 1.342 30.787 29.460 -0.024 0.000 1.413 97 W HN 0.905 nan 8.180 nan 0.000 0.489 98 H N 1.131 120.303 119.070 0.170 0.000 2.573 98 H HA 0.594 5.151 4.556 0.002 0.000 0.351 98 H C -0.670 174.718 175.328 0.100 0.000 1.163 98 H CA -1.208 54.927 56.048 0.145 0.000 1.205 98 H CB 2.077 31.887 29.762 0.080 0.000 1.605 98 H HN 0.473 nan 8.280 nan 0.000 0.525 99 I N 3.025 123.730 120.570 0.226 0.000 2.618 99 I HA -0.099 4.072 4.170 0.002 0.000 0.284 99 I C 0.003 176.216 176.117 0.160 0.000 1.146 99 I CA 0.207 61.468 61.300 -0.065 0.000 1.425 99 I CB -0.082 37.716 38.000 -0.337 0.000 1.383 99 I HN 0.649 nan 8.210 nan 0.000 0.562 100 Y N 6.960 127.201 120.300 -0.098 0.000 2.447 100 Y HA 0.572 5.123 4.550 0.002 0.000 0.286 100 Y C 0.854 176.762 175.900 0.013 0.000 1.153 100 Y CA 0.783 58.899 58.100 0.026 0.000 1.241 100 Y CB 0.063 38.535 38.460 0.021 0.000 1.284 100 Y HN 0.504 nan 8.280 nan 0.000 0.520 101 G N 0.557 109.374 108.800 0.029 0.000 2.696 101 G HA2 0.513 4.475 3.960 0.002 0.000 0.295 101 G HA3 0.513 4.475 3.960 0.002 0.000 0.295 101 G C -2.013 172.969 174.900 0.138 0.000 1.398 101 G CA -0.865 44.239 45.100 0.006 0.000 0.920 101 G HN 0.041 nan 8.290 nan 0.000 0.492 102 K N 0.459 120.946 120.400 0.145 0.000 2.571 102 K HA 0.280 4.601 4.320 0.002 0.000 0.252 102 K C -0.571 176.171 176.600 0.236 0.000 0.956 102 K CA -0.608 55.782 56.287 0.172 0.000 0.822 102 K CB 1.847 34.391 32.500 0.072 0.000 1.286 102 K HN 0.543 nan 8.250 nan 0.000 0.439 103 D N 2.644 123.239 120.400 0.325 0.000 2.392 103 D HA -0.037 4.604 4.640 0.002 0.000 0.206 103 D C -0.246 176.168 176.300 0.190 0.000 1.046 103 D CA 0.178 54.359 54.000 0.302 0.000 0.865 103 D CB 0.053 41.154 40.800 0.502 0.000 0.969 103 D HN 0.645 nan 8.370 nan 0.000 0.509 104 N N 0.510 119.312 118.700 0.169 0.000 2.721 104 N HA -0.227 4.515 4.740 0.002 0.000 0.249 104 N C 1.097 176.674 175.510 0.112 0.000 1.072 104 N CA 0.731 53.864 53.050 0.139 0.000 0.710 104 N CB -1.229 37.336 38.487 0.130 0.000 0.993 104 N HN 0.461 nan 8.380 nan 0.000 0.547 105 A N -0.073 122.807 122.820 0.100 0.000 1.917 105 A HA -0.149 4.173 4.320 0.002 0.000 0.219 105 A C 2.198 179.798 177.584 0.027 0.000 1.182 105 A CA 2.124 54.182 52.037 0.036 0.000 0.633 105 A CB -0.324 18.673 19.000 -0.005 0.000 0.819 105 A HN 0.230 nan 8.150 nan 0.000 0.448 106 V N -0.426 119.526 119.914 0.062 0.000 2.453 106 V HA -0.218 3.903 4.120 0.002 0.000 0.247 106 V C 2.558 178.800 176.094 0.246 0.000 1.048 106 V CA 2.034 64.394 62.300 0.100 0.000 1.049 106 V CB -0.864 31.013 31.823 0.091 0.000 0.672 106 V HN 0.502 nan 8.190 nan 0.000 0.457 107 R N -0.038 120.585 120.500 0.205 0.000 2.080 107 R HA -0.105 4.236 4.340 0.002 0.000 0.236 107 R C 2.276 178.662 176.300 0.143 0.000 1.137 107 R CA 1.901 58.125 56.100 0.207 0.000 0.943 107 R CB -0.425 29.970 30.300 0.158 0.000 0.846 107 R HN 0.425 nan 8.270 nan 0.000 0.431 108 I N -0.350 120.278 120.570 0.096 0.000 2.315 108 I HA -0.132 4.039 4.170 0.002 0.000 0.248 108 I C 2.344 178.476 176.117 0.025 0.000 1.117 108 I CA 1.272 62.600 61.300 0.047 0.000 1.404 108 I CB -0.482 37.537 38.000 0.033 0.000 1.071 108 I HN 0.333 nan 8.210 nan 0.000 0.419 109 G N 0.095 108.917 108.800 0.036 0.000 2.625 109 G HA2 -0.221 3.741 3.960 0.002 0.000 0.214 109 G HA3 -0.221 3.741 3.960 0.002 0.000 0.214 109 G C 1.527 176.458 174.900 0.051 0.000 1.132 109 G CA 0.166 45.270 45.100 0.007 0.000 0.782 109 G HN 0.323 nan 8.290 nan 0.000 0.538 110 E N 0.745 120.981 120.200 0.060 0.000 2.204 110 E HA -0.131 4.220 4.350 0.002 0.000 0.194 110 E C 0.400 176.892 176.600 -0.179 0.000 0.989 110 E CA 1.040 57.310 56.400 -0.215 0.000 0.824 110 E CB 0.083 29.526 29.700 -0.429 0.000 0.756 110 E HN 0.392 nan 8.360 nan 0.000 0.477 111 D N -0.348 119.996 120.400 -0.093 0.000 2.865 111 D HA 0.206 4.847 4.640 0.002 0.000 0.347 111 D C -1.439 174.836 176.300 -0.042 0.000 1.498 111 D CA -0.174 53.779 54.000 -0.078 0.000 0.787 111 D CB 0.359 41.105 40.800 -0.089 0.000 1.190 111 D HN -0.161 nan 8.370 nan 0.000 0.445 112 S N -0.661 115.018 115.700 -0.036 0.000 2.596 112 S HA 0.266 4.737 4.470 0.002 0.000 0.270 112 S C -1.369 173.202 174.600 -0.049 0.000 1.155 112 S CA -0.879 57.307 58.200 -0.023 0.000 0.827 112 S CB 1.573 64.760 63.200 -0.022 0.000 1.130 112 S HN -0.006 nan 8.310 nan 0.000 0.467 113 D N 2.219 122.590 120.400 -0.049 0.000 2.688 113 D HA 0.246 4.887 4.640 0.002 0.000 0.228 113 D C -0.446 175.712 176.300 -0.236 0.000 1.116 113 D CA 0.223 54.139 54.000 -0.140 0.000 1.023 113 D CB -0.104 40.596 40.800 -0.167 0.000 1.100 113 D HN 0.092 nan 8.370 nan 0.000 0.487 114 V N 1.901 121.696 119.914 -0.198 0.000 2.439 114 V HA 0.212 4.333 4.120 0.002 0.000 0.282 114 V C 0.807 176.742 176.094 -0.265 0.000 1.039 114 V CA -0.818 61.336 62.300 -0.245 0.000 0.913 114 V CB 1.599 33.304 31.823 -0.196 0.000 0.983 114 V HN 0.229 nan 8.190 nan 0.000 0.460 115 L N 4.595 125.630 121.223 -0.314 0.000 2.426 115 L HA 0.297 4.638 4.340 0.002 0.000 0.271 115 L C 0.035 176.752 176.870 -0.256 0.000 1.169 115 L CA -0.247 54.428 54.840 -0.276 0.000 0.836 115 L CB 1.115 42.996 42.059 -0.297 0.000 1.112 115 L HN 0.354 nan 8.230 nan 0.000 0.465 116 V N 2.171 121.965 119.914 -0.200 0.000 2.555 116 V HA 0.316 4.437 4.120 0.002 0.000 0.286 116 V C 0.567 176.589 176.094 -0.120 0.000 1.044 116 V CA 0.003 62.199 62.300 -0.174 0.000 1.026 116 V CB 1.116 32.865 31.823 -0.122 0.000 0.981 116 V HN 1.020 nan 8.190 nan 0.000 0.480 117 T N 3.525 118.020 114.554 -0.100 0.000 2.696 117 T HA 0.824 5.175 4.350 0.002 0.000 0.291 117 T C -0.609 174.083 174.700 -0.014 0.000 1.095 117 T CA -1.003 61.067 62.100 -0.049 0.000 1.026 117 T CB 2.539 71.370 68.868 -0.061 0.000 1.390 117 T HN 0.586 nan 8.240 nan 0.000 0.513 118 R N -0.676 119.831 120.500 0.011 0.000 2.829 118 R HA 0.348 4.689 4.340 0.002 0.000 0.283 118 R C -1.431 174.886 176.300 0.029 0.000 1.013 118 R CA -0.684 55.413 56.100 -0.006 0.000 0.848 118 R CB 1.047 31.319 30.300 -0.046 0.000 1.291 118 R HN 0.934 nan 8.270 nan 0.000 0.496 119 E N -0.184 120.013 120.200 -0.005 0.000 2.271 119 E HA -0.153 4.198 4.350 0.002 0.000 0.223 119 E C -2.507 174.221 176.600 0.213 0.000 1.223 119 E CA 0.706 57.183 56.400 0.129 0.000 0.704 119 E CB -1.052 28.750 29.700 0.169 0.000 1.194 119 E HN 0.274 nan 8.360 nan 0.000 0.375 120 P HA 0.375 nan 4.420 nan 0.000 0.278 120 P C -0.612 176.509 177.300 -0.298 0.000 1.266 120 P CA -0.262 62.806 63.100 -0.053 0.000 0.807 120 P CB 0.766 32.394 31.700 -0.121 0.000 1.094 121 Y N -3.297 116.535 120.300 -0.779 0.000 2.779 121 Y HA 0.627 5.178 4.550 0.002 0.000 0.340 121 Y C -1.866 173.558 175.900 -0.793 0.000 1.252 121 Y CA -1.328 56.020 58.100 -1.253 0.000 1.072 121 Y CB 0.146 38.231 38.460 -0.624 0.000 1.343 121 Y HN 0.114 nan 8.280 nan 0.000 0.450 122 V N 1.256 120.856 119.914 -0.524 0.000 2.735 122 V HA 0.803 4.925 4.120 0.002 0.000 0.310 122 V C -0.687 175.192 176.094 -0.359 0.000 1.061 122 V CA -0.451 61.510 62.300 -0.565 0.000 0.913 122 V CB 1.495 32.548 31.823 -1.284 0.000 1.005 122 V HN 0.863 nan 8.190 nan 0.000 0.428 123 S N 2.211 117.828 115.700 -0.138 0.000 2.536 123 S HA 0.630 5.102 4.470 0.002 0.000 0.271 123 S C -0.915 173.771 174.600 0.144 0.000 1.134 123 S CA -0.370 57.822 58.200 -0.014 0.000 0.897 123 S CB 1.352 64.380 63.200 -0.286 0.000 1.094 123 S HN 0.831 nan 8.310 nan 0.000 0.473 124 c N 3.126 121.874 118.600 0.247 0.000 2.391 124 c HA 0.754 5.325 4.570 0.002 0.000 0.339 124 c C -0.091 174.036 174.090 0.061 0.000 1.205 124 c CA -0.695 55.777 56.329 0.238 0.000 1.937 124 c CB 0.820 43.570 42.510 0.400 0.000 2.341 124 c HN 0.861 nan 8.230 nan 0.000 0.516 125 D N 1.338 121.610 120.400 -0.213 0.000 2.442 125 D HA 0.379 5.020 4.640 0.002 0.000 0.254 125 D C -1.817 173.891 176.300 -0.987 0.000 1.069 125 D CA -1.705 51.852 54.000 -0.738 0.000 1.017 125 D CB 0.688 41.233 40.800 -0.424 0.000 1.172 125 D HN 0.142 nan 8.370 nan 0.000 0.561 126 P HA -0.040 nan 4.420 nan 0.000 0.225 126 P C 0.306 177.386 177.300 -0.366 0.000 1.148 126 P CA 1.039 63.472 63.100 -1.110 0.000 0.779 126 P CB 0.261 31.346 31.700 -1.027 0.000 0.780 127 D N -2.433 117.781 120.400 -0.310 0.000 2.500 127 D HA 0.080 4.721 4.640 0.002 0.000 0.217 127 D C 0.252 176.498 176.300 -0.089 0.000 1.159 127 D CA 0.126 54.043 54.000 -0.140 0.000 0.828 127 D CB 0.850 41.574 40.800 -0.126 0.000 1.039 127 D HN 0.180 nan 8.370 nan 0.000 0.512 128 E N -0.246 119.894 120.200 -0.100 0.000 2.380 128 E HA 0.338 4.690 4.350 0.002 0.000 0.281 128 E C -1.906 174.682 176.600 -0.020 0.000 0.999 128 E CA -0.724 55.643 56.400 -0.055 0.000 0.800 128 E CB 1.996 31.645 29.700 -0.084 0.000 1.228 128 E HN 0.026 nan 8.360 nan 0.000 0.436 129 c N 2.822 121.434 118.600 0.019 0.000 2.382 129 c HA 0.685 5.256 4.570 0.002 0.000 0.327 129 c C -0.121 173.931 174.090 -0.063 0.000 1.250 129 c CA -0.516 55.854 56.329 0.069 0.000 1.707 129 c CB 0.408 43.059 42.510 0.234 0.000 2.272 129 c HN 0.624 nan 8.230 nan 0.000 0.506 130 R N 1.259 121.720 120.500 -0.065 0.000 2.854 130 R HA 0.652 4.994 4.340 0.002 0.000 0.271 130 R C -1.209 174.924 176.300 -0.277 0.000 0.994 130 R CA -0.646 55.285 56.100 -0.282 0.000 0.945 130 R CB 1.315 31.386 30.300 -0.382 0.000 1.194 130 R HN 0.440 nan 8.270 nan 0.000 0.476 131 F N 1.188 120.575 119.950 -0.939 0.000 2.375 131 F HA 0.394 4.923 4.527 0.002 0.000 0.333 131 F C -0.109 174.699 175.800 -1.653 0.000 1.104 131 F CA -0.817 56.422 58.000 -1.268 0.000 1.149 131 F CB 0.622 38.575 39.000 -1.746 0.000 1.190 131 F HN 0.313 nan 8.300 nan 0.000 0.533 132 Y N 0.130 119.760 120.300 -1.116 0.000 2.576 132 Y HA 0.739 5.290 4.550 0.002 0.000 0.346 132 Y C -0.148 175.405 175.900 -0.578 0.000 1.018 132 Y CA -1.118 56.443 58.100 -0.897 0.000 1.050 132 Y CB 2.057 39.725 38.460 -1.320 0.000 1.280 132 Y HN 0.686 nan 8.280 nan 0.000 0.474 133 A N 0.948 123.770 122.820 0.004 0.000 2.544 133 A HA 0.645 4.966 4.320 0.002 0.000 0.291 133 A C -2.611 175.056 177.584 0.139 0.000 1.055 133 A CA -0.668 51.453 52.037 0.140 0.000 0.651 133 A CB 0.928 20.117 19.000 0.314 0.000 1.296 133 A HN 0.453 nan 8.150 nan 0.000 0.431 134 L N 1.724 123.024 121.223 0.128 0.000 2.259 134 L HA 0.540 4.881 4.340 0.002 0.000 0.288 134 L C 0.972 177.879 176.870 0.062 0.000 1.051 134 L CA 0.187 55.091 54.840 0.106 0.000 0.824 134 L CB 0.695 42.836 42.059 0.136 0.000 1.206 134 L HN 0.798 nan 8.230 nan 0.000 0.429 135 S N 2.293 118.012 115.700 0.031 0.000 2.584 135 S HA 0.130 4.601 4.470 0.002 0.000 0.270 135 S C 0.836 175.452 174.600 0.027 0.000 1.346 135 S CA -0.169 58.024 58.200 -0.011 0.000 1.018 135 S CB 0.639 63.813 63.200 -0.043 0.000 0.899 135 S HN 0.634 nan 8.310 nan 0.000 0.542 136 Q N 1.659 121.469 119.800 0.015 0.000 2.282 136 Q HA 0.195 4.536 4.340 0.002 0.000 0.206 136 Q C 1.087 177.128 176.000 0.070 0.000 0.878 136 Q CA 0.623 56.464 55.803 0.064 0.000 0.944 136 Q CB 0.530 29.302 28.738 0.057 0.000 1.100 136 Q HN 1.168 nan 8.270 nan 0.000 0.509 137 G N 1.900 110.709 108.800 0.016 0.000 2.246 137 G HA2 -0.247 3.714 3.960 0.002 0.000 0.273 137 G HA3 -0.247 3.714 3.960 0.002 0.000 0.273 137 G C 0.056 174.913 174.900 -0.072 0.000 1.055 137 G CA 0.989 46.084 45.100 -0.009 0.000 0.851 137 G HN 0.366 nan 8.290 nan 0.000 0.500 138 T N -1.458 113.050 114.554 -0.076 0.000 2.775 138 T HA 0.686 5.037 4.350 0.002 0.000 0.320 138 T C 0.247 174.886 174.700 -0.102 0.000 1.597 138 T CA 0.916 62.971 62.100 -0.075 0.000 1.022 138 T CB 1.034 69.901 68.868 -0.002 0.000 1.485 138 T HN 1.347 nan 8.240 nan 0.000 0.494 139 T N 1.067 115.560 114.554 -0.102 0.000 2.902 139 T HA 0.551 4.903 4.350 0.002 0.000 0.280 139 T C 1.890 176.494 174.700 -0.161 0.000 0.992 139 T CA -0.792 61.221 62.100 -0.145 0.000 1.015 139 T CB 0.517 69.308 68.868 -0.129 0.000 1.044 139 T HN 0.546 nan 8.240 nan 0.000 0.520 140 I N -0.306 120.118 120.570 -0.243 0.000 2.226 140 I HA -0.075 4.097 4.170 0.002 0.000 0.245 140 I C 2.819 178.784 176.117 -0.254 0.000 1.100 140 I CA 1.088 62.136 61.300 -0.418 0.000 1.374 140 I CB -0.345 37.329 38.000 -0.542 0.000 1.057 140 I HN 0.497 nan 8.210 nan 0.000 0.413 141 R N 1.329 121.774 120.500 -0.091 0.000 2.276 141 R HA 0.111 4.452 4.340 0.002 0.000 0.203 141 R C 0.907 177.218 176.300 0.018 0.000 1.017 141 R CA 0.111 56.220 56.100 0.014 0.000 1.010 141 R CB -0.565 29.741 30.300 0.010 0.000 0.900 141 R HN 0.328 nan 8.270 nan 0.000 0.469 142 G N -0.090 108.705 108.800 -0.008 0.000 2.527 142 G HA2 0.020 3.982 3.960 0.002 0.000 0.248 142 G HA3 0.020 3.982 3.960 0.002 0.000 0.248 142 G C 0.037 174.953 174.900 0.027 0.000 1.231 142 G CA -0.483 44.629 45.100 0.020 0.000 0.838 142 G HN 0.212 nan 8.290 nan 0.000 0.570 143 K N 0.039 120.425 120.400 -0.024 0.000 2.280 143 K HA -0.091 4.230 4.320 0.002 0.000 0.202 143 K C 1.522 178.034 176.600 -0.148 0.000 1.047 143 K CA 0.882 57.104 56.287 -0.107 0.000 0.942 143 K CB -0.019 32.357 32.500 -0.206 0.000 0.739 143 K HN 0.586 nan 8.250 nan 0.000 0.457 144 H N 0.054 119.111 119.070 -0.021 0.000 2.556 144 H HA 0.016 4.573 4.556 0.002 0.000 0.268 144 H C 2.007 177.344 175.328 0.015 0.000 0.996 144 H CA 1.002 57.034 56.048 -0.027 0.000 1.157 144 H CB 0.191 29.909 29.762 -0.072 0.000 1.355 144 H HN 0.249 nan 8.280 nan 0.000 0.597 145 S N 0.370 116.146 115.700 0.127 0.000 2.481 145 S HA -0.116 4.355 4.470 0.002 0.000 0.231 145 S C 1.094 175.834 174.600 0.233 0.000 0.996 145 S CA -0.118 58.169 58.200 0.145 0.000 0.942 145 S CB -0.240 63.008 63.200 0.080 0.000 0.768 145 S HN 0.184 nan 8.310 nan 0.000 0.520 146 N N 2.201 121.011 118.700 0.185 0.000 2.438 146 N HA 0.312 5.053 4.740 0.002 0.000 0.267 146 N C 0.990 176.603 175.510 0.172 0.000 1.222 146 N CA 1.279 54.442 53.050 0.187 0.000 0.930 146 N CB 0.075 38.563 38.487 0.002 0.000 1.083 146 N HN 0.549 nan 8.380 nan 0.000 0.476 147 G N 2.169 111.096 108.800 0.212 0.000 2.163 147 G HA2 -0.276 3.685 3.960 0.002 0.000 0.213 147 G HA3 -0.276 3.685 3.960 0.002 0.000 0.213 147 G C 0.733 175.709 174.900 0.127 0.000 0.991 147 G CA 0.470 45.671 45.100 0.169 0.000 0.653 147 G HN 0.709 nan 8.290 nan 0.000 0.518 148 T N -0.944 113.691 114.554 0.136 0.000 3.227 148 T HA 0.269 4.620 4.350 0.002 0.000 0.257 148 T C 2.100 176.821 174.700 0.036 0.000 1.162 148 T CA 0.846 63.014 62.100 0.114 0.000 1.051 148 T CB 0.137 69.085 68.868 0.134 0.000 0.953 148 T HN 0.598 nan 8.240 nan 0.000 0.535 149 I N 0.473 120.999 120.570 -0.074 0.000 2.546 149 I HA -0.044 4.127 4.170 0.002 0.000 0.255 149 I C 0.498 176.514 176.117 -0.168 0.000 1.163 149 I CA 0.435 61.641 61.300 -0.158 0.000 1.457 149 I CB -0.108 37.743 38.000 -0.249 0.000 1.092 149 I HN 0.264 nan 8.210 nan 0.000 0.434 150 H N 2.101 121.183 119.070 0.021 0.000 2.928 150 H HA -0.015 4.542 4.556 0.002 0.000 0.338 150 H C 0.605 175.923 175.328 -0.018 0.000 1.047 150 H CA 0.312 56.358 56.048 -0.004 0.000 1.435 150 H CB 0.741 30.508 29.762 0.007 0.000 1.428 150 H HN 0.298 nan 8.280 nan 0.000 0.590 151 D N 2.688 123.136 120.400 0.081 0.000 2.137 151 D HA -0.045 4.596 4.640 0.002 0.000 0.202 151 D C 0.270 176.539 176.300 -0.053 0.000 0.970 151 D CA 1.206 55.205 54.000 -0.001 0.000 0.837 151 D CB 0.607 41.375 40.800 -0.053 0.000 0.981 151 D HN 0.411 nan 8.370 nan 0.000 0.475 152 R N -0.006 120.384 120.500 -0.183 0.000 2.513 152 R HA 0.451 4.792 4.340 0.002 0.000 0.301 152 R C -0.553 175.637 176.300 -0.183 0.000 0.968 152 R CA -0.340 55.536 56.100 -0.374 0.000 0.872 152 R CB 2.304 31.986 30.300 -1.030 0.000 1.177 152 R HN 0.004 nan 8.270 nan 0.000 0.444 153 S N 1.122 116.813 115.700 -0.015 0.000 2.636 153 S HA 0.131 4.602 4.470 0.002 0.000 0.268 153 S C -0.127 174.395 174.600 -0.130 0.000 1.159 153 S CA -0.961 57.179 58.200 -0.100 0.000 0.815 153 S CB 1.628 64.784 63.200 -0.073 0.000 1.130 153 S HN 0.506 nan 8.310 nan 0.000 0.471 154 Q N -0.408 119.080 119.800 -0.520 0.000 2.482 154 Q HA 0.231 4.572 4.340 0.002 0.000 0.209 154 Q C -0.034 175.685 176.000 -0.469 0.000 0.961 154 Q CA 1.000 56.509 55.803 -0.489 0.000 0.945 154 Q CB -0.429 27.986 28.738 -0.537 0.000 1.012 154 Q HN 0.738 nan 8.270 nan 0.000 0.515 155 Y N -0.521 119.818 120.300 0.065 0.000 2.485 155 Y HA 0.273 4.825 4.550 0.002 0.000 0.260 155 Y C 0.276 176.194 175.900 0.031 0.000 1.173 155 Y CA -0.455 57.661 58.100 0.027 0.000 1.252 155 Y CB 0.115 38.577 38.460 0.004 0.000 1.123 155 Y HN -0.115 nan 8.280 nan 0.000 0.524 156 R N 1.089 121.655 120.500 0.110 0.000 2.573 156 R HA 0.814 5.155 4.340 0.002 0.000 0.272 156 R C -0.532 175.801 176.300 0.055 0.000 1.009 156 R CA -0.553 55.609 56.100 0.103 0.000 1.059 156 R CB 1.344 31.736 30.300 0.153 0.000 1.112 156 R HN 0.126 nan 8.270 nan 0.000 0.517 157 A N 1.637 124.478 122.820 0.035 0.000 2.589 157 A HA 0.337 4.658 4.320 0.002 0.000 0.296 157 A C -1.645 175.938 177.584 -0.001 0.000 1.062 157 A CA -0.782 51.251 52.037 -0.008 0.000 0.686 157 A CB 1.419 20.401 19.000 -0.030 0.000 1.282 157 A HN 0.547 nan 8.150 nan 0.000 0.404 158 L N 3.310 124.519 121.223 -0.025 0.000 2.313 158 L HA 0.707 5.048 4.340 0.002 0.000 0.282 158 L C -0.235 176.624 176.870 -0.020 0.000 1.092 158 L CA 0.129 54.975 54.840 0.011 0.000 0.831 158 L CB -0.062 42.007 42.059 0.016 0.000 1.159 158 L HN 0.585 nan 8.230 nan 0.000 0.442 159 I N 2.105 122.687 120.570 0.021 0.000 2.740 159 I HA 0.861 5.033 4.170 0.002 0.000 0.303 159 I C -0.393 175.717 176.117 -0.012 0.000 1.044 159 I CA -0.587 60.718 61.300 0.008 0.000 1.064 159 I CB 2.187 40.202 38.000 0.025 0.000 1.249 159 I HN 0.671 nan 8.210 nan 0.000 0.433 160 S N 2.966 118.579 115.700 -0.145 0.000 2.599 160 S HA 0.881 5.352 4.470 0.002 0.000 0.294 160 S C -1.264 173.291 174.600 -0.074 0.000 1.094 160 S CA -0.589 57.298 58.200 -0.522 0.000 0.931 160 S CB 1.591 64.111 63.200 -1.132 0.000 1.093 160 S HN 1.053 nan 8.310 nan 0.000 0.488 161 W N -1.237 119.828 121.300 -0.391 0.000 3.066 161 W HA 0.707 5.368 4.660 0.002 0.000 0.330 161 W C -3.637 172.731 176.519 -0.252 0.000 1.253 161 W CA -2.198 54.996 57.345 -0.251 0.000 1.187 161 W CB -0.328 29.027 29.460 -0.175 0.000 1.434 161 W HN 0.494 nan 8.180 nan 0.000 0.572 162 P HA 0.011 nan 4.420 nan 0.000 0.266 162 P C -0.136 176.899 177.300 -0.441 0.000 1.195 162 P CA 0.048 63.017 63.100 -0.219 0.000 0.768 162 P CB 0.459 32.101 31.700 -0.097 0.000 0.838 163 L N 3.638 124.501 121.223 -0.600 0.000 2.601 163 L HA -0.089 4.252 4.340 0.002 0.000 0.277 163 L C 0.727 177.111 176.870 -0.809 0.000 1.219 163 L CA 1.483 55.723 54.840 -1.001 0.000 0.915 163 L CB -0.871 40.792 42.059 -0.659 0.000 1.160 163 L HN 0.555 nan 8.230 nan 0.000 0.494 164 S N 1.130 116.160 115.700 -1.118 0.000 2.929 164 S HA -0.207 4.265 4.470 0.002 0.000 0.271 164 S C 0.730 175.307 174.600 -0.039 0.000 1.295 164 S CA 1.235 59.229 58.200 -0.345 0.000 1.277 164 S CB -1.415 61.642 63.200 -0.238 0.000 1.557 164 S HN 0.793 nan 8.310 nan 0.000 0.666 165 S N 2.659 118.358 115.700 -0.002 0.000 2.617 165 S HA 0.510 4.981 4.470 0.002 0.000 0.269 165 S C -2.005 172.770 174.600 0.292 0.000 1.292 165 S CA -0.867 57.411 58.200 0.132 0.000 1.010 165 S CB 0.852 64.135 63.200 0.137 0.000 0.944 165 S HN 0.302 nan 8.310 nan 0.000 0.536 166 P HA 0.283 nan 4.420 nan 0.000 0.279 166 P C -2.860 174.115 177.300 -0.541 0.000 1.252 166 P CA -2.257 60.802 63.100 -0.068 0.000 0.811 166 P CB -0.140 31.514 31.700 -0.077 0.000 1.035 167 P HA 0.041 nan 4.420 nan 0.000 0.268 167 P C 0.134 177.001 177.300 -0.722 0.000 1.485 167 P CA 0.392 62.573 63.100 -1.532 0.000 1.102 167 P CB -0.623 29.947 31.700 -1.884 0.000 1.501 168 T N -1.215 113.037 114.554 -0.502 0.000 2.927 168 T HA 0.194 4.545 4.350 0.002 0.000 0.281 168 T C 1.129 175.583 174.700 -0.410 0.000 0.998 168 T CA -0.713 61.159 62.100 -0.380 0.000 1.019 168 T CB 0.704 69.424 68.868 -0.246 0.000 1.061 168 T HN -0.042 nan 8.240 nan 0.000 0.518 169 V N 2.932 122.505 119.914 -0.568 0.000 3.494 169 V HA -0.119 4.002 4.120 0.002 0.000 0.272 169 V C 2.166 177.956 176.094 -0.506 0.000 1.233 169 V CA 1.257 63.190 62.300 -0.612 0.000 1.205 169 V CB -2.828 28.495 31.823 -0.834 0.000 0.958 169 V HN 1.078 nan 8.190 nan 0.000 0.495 170 N N -0.443 118.265 118.700 0.013 0.000 2.575 170 N HA -0.243 4.498 4.740 0.002 0.000 0.218 170 N C 0.512 176.020 175.510 -0.003 0.000 1.033 170 N CA 0.824 53.881 53.050 0.012 0.000 0.972 170 N CB -0.318 38.180 38.487 0.018 0.000 1.012 170 N HN 0.506 nan 8.380 nan 0.000 0.501 171 S N 0.108 115.775 115.700 -0.056 0.000 2.562 171 S HA 0.230 4.701 4.470 0.002 0.000 0.275 171 S C -0.090 174.487 174.600 -0.039 0.000 1.281 171 S CA -0.879 57.298 58.200 -0.038 0.000 1.045 171 S CB 1.698 64.816 63.200 -0.135 0.000 0.962 171 S HN 0.290 nan 8.310 nan 0.000 0.503 172 R N 2.476 122.956 120.500 -0.034 0.000 2.387 172 R HA 0.455 4.796 4.340 0.002 0.000 0.314 172 R C -1.400 174.850 176.300 -0.085 0.000 0.958 172 R CA -0.477 55.585 56.100 -0.063 0.000 0.846 172 R CB 0.797 31.051 30.300 -0.076 0.000 1.147 172 R HN 0.461 nan 8.270 nan 0.000 0.447 173 V N 5.361 125.218 119.914 -0.095 0.000 2.455 173 V HA 0.060 4.181 4.120 0.002 0.000 0.273 173 V C 0.949 176.924 176.094 -0.199 0.000 1.045 173 V CA -0.068 62.156 62.300 -0.127 0.000 0.976 173 V CB 1.421 33.174 31.823 -0.117 0.000 0.993 173 V HN 0.848 nan 8.190 nan 0.000 0.475 174 E N 2.787 122.852 120.200 -0.225 0.000 2.140 174 E HA 0.077 4.429 4.350 0.002 0.000 0.191 174 E C 0.499 176.678 176.600 -0.703 0.000 0.973 174 E CA 0.984 57.184 56.400 -0.333 0.000 0.829 174 E CB 0.389 29.992 29.700 -0.162 0.000 0.781 174 E HN 0.915 nan 8.360 nan 0.000 0.466 175 c N -1.043 117.225 118.600 -0.554 0.000 3.231 175 c HA 0.500 5.071 4.570 0.002 0.000 0.343 175 c C -1.023 172.913 174.090 -0.256 0.000 1.349 175 c CA -1.366 54.582 56.329 -0.635 0.000 1.209 175 c CB 0.512 42.517 42.510 -0.842 0.000 1.475 175 c HN 0.024 nan 8.230 nan 0.000 0.460 176 I N 2.505 122.995 120.570 -0.133 0.000 2.315 176 I HA 0.763 4.934 4.170 0.002 0.000 0.291 176 I C 0.804 176.858 176.117 -0.105 0.000 1.006 176 I CA 0.896 62.153 61.300 -0.072 0.000 1.265 176 I CB 0.374 38.363 38.000 -0.017 0.000 1.387 176 I HN 1.383 nan 8.210 nan 0.000 0.475 177 G N 6.550 115.281 108.800 -0.114 0.000 2.338 177 G HA2 0.218 4.179 3.960 0.002 0.000 0.295 177 G HA3 0.218 4.179 3.960 0.002 0.000 0.295 177 G C -0.787 174.059 174.900 -0.090 0.000 1.461 177 G CA -0.720 44.233 45.100 -0.244 0.000 0.817 177 G HN 0.613 nan 8.290 nan 0.000 0.556 178 W N 0.076 121.386 121.300 0.016 0.000 2.991 178 W HA 0.609 5.271 4.660 0.003 0.000 0.391 178 W C 0.046 176.592 176.519 0.046 0.000 1.054 178 W CA 0.018 57.378 57.345 0.025 0.000 1.856 178 W CB 0.356 29.821 29.460 0.008 0.000 1.132 178 W HN 0.771 nan 8.180 nan 0.000 0.601 179 S N 1.525 117.335 115.700 0.183 0.000 2.535 179 S HA 0.569 5.040 4.470 0.002 0.000 0.272 179 S C -0.683 173.948 174.600 0.051 0.000 1.149 179 S CA 0.024 58.338 58.200 0.189 0.000 0.888 179 S CB 1.477 64.837 63.200 0.267 0.000 1.110 179 S HN 0.266 nan 8.310 nan 0.000 0.463 180 S N 1.978 117.720 115.700 0.071 0.000 2.636 180 S HA 0.868 5.339 4.470 0.002 0.000 0.268 180 S C -0.790 173.787 174.600 -0.038 0.000 1.159 180 S CA -0.364 57.858 58.200 0.037 0.000 0.815 180 S CB 1.463 64.729 63.200 0.109 0.000 1.130 180 S HN 1.062 nan 8.310 nan 0.000 0.471 181 T N -0.300 114.227 114.554 -0.046 0.000 2.769 181 T HA 0.773 5.124 4.350 0.002 0.000 0.306 181 T C -1.833 172.847 174.700 -0.033 0.000 1.400 181 T CA 0.121 62.132 62.100 -0.148 0.000 1.007 181 T CB 1.405 70.142 68.868 -0.219 0.000 1.392 181 T HN 1.660 nan 8.240 nan 0.000 0.500 182 S N 0.293 115.965 115.700 -0.048 0.000 2.578 182 S HA 0.675 5.146 4.470 0.002 0.000 0.285 182 S C -1.465 173.114 174.600 -0.034 0.000 1.126 182 S CA -0.247 57.932 58.200 -0.035 0.000 0.878 182 S CB 0.078 63.227 63.200 -0.084 0.000 1.091 182 S HN 1.538 nan 8.310 nan 0.000 0.450 183 c N 2.907 121.521 118.600 0.022 0.000 3.284 183 c HA 0.697 5.269 4.570 0.002 0.000 0.338 183 c C -1.038 173.150 174.090 0.164 0.000 1.237 183 c CA -0.869 55.525 56.329 0.108 0.000 1.276 183 c CB 0.899 43.485 42.510 0.127 0.000 1.601 183 c HN 1.004 nan 8.230 nan 0.000 0.494 184 H N 1.524 120.702 119.070 0.179 0.000 2.473 184 H HA 0.368 4.925 4.556 0.002 0.000 0.327 184 H C -0.090 175.443 175.328 0.342 0.000 1.105 184 H CA 0.617 56.764 56.048 0.165 0.000 1.280 184 H CB 1.963 31.703 29.762 -0.037 0.000 1.450 184 H HN 0.954 nan 8.280 nan 0.000 0.492 185 D N 1.939 122.528 120.400 0.315 0.000 2.340 185 D HA 0.138 4.779 4.640 0.002 0.000 0.217 185 D C 1.422 178.133 176.300 0.685 0.000 1.081 185 D CA 0.531 54.819 54.000 0.479 0.000 0.842 185 D CB 0.509 41.533 40.800 0.374 0.000 0.934 185 D HN 0.852 nan 8.370 nan 0.000 0.511 186 G N 0.441 109.754 108.800 0.854 0.000 2.313 186 G HA2 -0.316 3.645 3.960 0.002 0.000 0.215 186 G HA3 -0.316 3.645 3.960 0.002 0.000 0.215 186 G C 1.207 176.373 174.900 0.444 0.000 1.023 186 G CA 0.221 45.735 45.100 0.690 0.000 0.626 186 G HN 0.382 nan 8.290 nan 0.000 0.503 187 K N -0.612 119.993 120.400 0.343 0.000 2.172 187 K HA 0.401 4.722 4.320 0.002 0.000 0.203 187 K C 0.960 177.567 176.600 0.011 0.000 1.040 187 K CA 1.320 57.688 56.287 0.135 0.000 0.974 187 K CB 0.486 33.005 32.500 0.031 0.000 0.857 187 K HN 0.314 nan 8.250 nan 0.000 0.464 188 T N -0.675 113.695 114.554 -0.308 0.000 2.731 188 T HA 0.305 4.656 4.350 0.002 0.000 0.300 188 T C -1.836 172.297 174.700 -0.944 0.000 1.283 188 T CA -0.811 60.889 62.100 -0.666 0.000 1.005 188 T CB 1.631 70.186 68.868 -0.523 0.000 1.420 188 T HN 0.094 nan 8.240 nan 0.000 0.503 189 R N 1.850 121.952 120.500 -0.664 0.000 2.474 189 R HA 0.694 5.035 4.340 0.002 0.000 0.295 189 R C -0.509 175.705 176.300 -0.144 0.000 0.980 189 R CA -0.648 55.256 56.100 -0.326 0.000 0.934 189 R CB 1.146 31.386 30.300 -0.099 0.000 1.101 189 R HN 0.713 nan 8.270 nan 0.000 0.469 190 M N 3.102 122.727 119.600 0.042 0.000 2.268 190 M HA 0.354 4.835 4.480 0.002 0.000 0.344 190 M C -1.439 174.900 176.300 0.065 0.000 1.106 190 M CA -0.135 55.253 55.300 0.148 0.000 1.010 190 M CB 1.832 34.542 32.600 0.183 0.000 1.649 190 M HN 0.588 nan 8.290 nan 0.000 0.443 191 S N 5.585 121.337 115.700 0.086 0.000 2.521 191 S HA 0.706 5.178 4.470 0.002 0.000 0.295 191 S C -0.916 173.718 174.600 0.058 0.000 1.098 191 S CA -0.694 57.525 58.200 0.032 0.000 0.999 191 S CB 1.543 64.725 63.200 -0.030 0.000 1.034 191 S HN 0.710 nan 8.310 nan 0.000 0.483 192 I N 1.771 122.349 120.570 0.014 0.000 2.466 192 I HA 0.485 4.656 4.170 0.002 0.000 0.289 192 I C -0.940 175.189 176.117 0.020 0.000 1.026 192 I CA -0.482 60.842 61.300 0.040 0.000 1.078 192 I CB 1.682 39.685 38.000 0.005 0.000 1.249 192 I HN 0.490 nan 8.210 nan 0.000 0.429 193 c N 6.667 125.282 118.600 0.025 0.000 2.498 193 c HA 0.616 5.187 4.570 0.002 0.000 0.316 193 c C -0.050 173.960 174.090 -0.133 0.000 1.209 193 c CA -0.593 55.700 56.329 -0.061 0.000 1.518 193 c CB 1.395 43.851 42.510 -0.090 0.000 2.147 193 c HN 0.551 nan 8.230 nan 0.000 0.483 194 I N 3.416 123.804 120.570 -0.303 0.000 2.404 194 I HA 0.574 4.745 4.170 0.002 0.000 0.293 194 I C 0.294 175.753 176.117 -1.097 0.000 0.992 194 I CA 0.406 61.380 61.300 -0.543 0.000 1.149 194 I CB 1.579 39.276 38.000 -0.506 0.000 1.315 194 I HN 0.811 nan 8.210 nan 0.000 0.446 195 S N 3.990 119.172 115.700 -0.863 0.000 2.661 195 S HA 1.024 5.496 4.470 0.002 0.000 0.285 195 S C -0.431 174.006 174.600 -0.271 0.000 1.138 195 S CA -0.303 57.376 58.200 -0.869 0.000 0.855 195 S CB 2.449 65.416 63.200 -0.388 0.000 1.136 195 S HN 1.245 nan 8.310 nan 0.000 0.484 196 G N 0.314 109.227 108.800 0.189 0.000 2.347 196 G HA2 0.349 4.310 3.960 0.002 0.000 0.477 196 G HA3 0.349 4.310 3.960 0.002 0.000 0.477 196 G C -3.639 171.478 174.900 0.361 0.000 1.349 196 G CA -0.685 44.557 45.100 0.237 0.000 1.000 196 G HN 0.762 nan 8.290 nan 0.000 0.605 197 P HA 0.264 nan 4.420 nan 0.000 0.272 197 P C 0.725 178.072 177.300 0.079 0.000 1.240 197 P CA -0.549 62.599 63.100 0.079 0.000 0.791 197 P CB 0.510 32.230 31.700 0.033 0.000 0.978 198 N N 1.287 119.975 118.700 -0.020 0.000 2.149 198 N HA -0.158 4.583 4.740 0.002 0.000 0.188 198 N C 0.979 176.481 175.510 -0.014 0.000 1.019 198 N CA 1.386 54.407 53.050 -0.048 0.000 0.857 198 N CB -0.736 37.693 38.487 -0.097 0.000 0.997 198 N HN 0.548 nan 8.380 nan 0.000 0.426 199 N N -0.881 117.812 118.700 -0.011 0.000 2.235 199 N HA 0.054 4.795 4.740 0.002 0.000 0.209 199 N C -0.326 175.179 175.510 -0.008 0.000 1.122 199 N CA 0.095 53.135 53.050 -0.016 0.000 0.845 199 N CB 0.103 38.579 38.487 -0.018 0.000 1.004 199 N HN -0.073 nan 8.380 nan 0.000 0.499 200 N N -0.157 118.550 118.700 0.012 0.000 2.550 200 N HA 0.269 5.011 4.740 0.002 0.000 0.277 200 N C -1.240 174.283 175.510 0.021 0.000 1.595 200 N CA -0.155 52.899 53.050 0.008 0.000 0.888 200 N CB 0.935 39.428 38.487 0.010 0.000 1.424 200 N HN 0.353 nan 8.380 nan 0.000 0.501 201 A N 0.370 123.209 122.820 0.032 0.000 2.287 201 A HA 0.779 5.100 4.320 0.002 0.000 0.273 201 A C 0.271 177.811 177.584 -0.074 0.000 1.091 201 A CA -0.084 51.973 52.037 0.034 0.000 0.817 201 A CB 0.435 19.535 19.000 0.166 0.000 1.069 201 A HN 0.352 nan 8.150 nan 0.000 0.492 202 S N -0.944 114.678 115.700 -0.129 0.000 2.537 202 S HA 0.728 5.199 4.470 0.002 0.000 0.270 202 S C -0.666 173.829 174.600 -0.175 0.000 1.142 202 S CA -0.117 57.999 58.200 -0.140 0.000 0.870 202 S CB 1.301 64.448 63.200 -0.088 0.000 1.112 202 S HN 1.982 nan 8.310 nan 0.000 0.466 203 A N 1.301 124.025 122.820 -0.160 0.000 2.305 203 A HA 0.825 5.146 4.320 0.002 0.000 0.322 203 A C -0.266 177.281 177.584 -0.062 0.000 1.187 203 A CA -0.826 51.143 52.037 -0.114 0.000 0.825 203 A CB 1.114 20.043 19.000 -0.118 0.000 1.164 203 A HN 1.863 nan 8.150 nan 0.000 0.498 204 V N 4.146 124.062 119.914 0.004 0.000 2.444 204 V HA 0.641 4.762 4.120 0.002 0.000 0.294 204 V C -1.186 174.984 176.094 0.126 0.000 1.022 204 V CA -0.654 61.662 62.300 0.027 0.000 0.850 204 V CB 0.956 32.785 31.823 0.011 0.000 0.992 204 V HN 0.646 nan 8.190 nan 0.000 0.426 205 I N 7.869 128.448 120.570 0.015 0.000 2.325 205 I HA 0.438 4.609 4.170 0.002 0.000 0.291 205 I C -0.445 175.701 176.117 0.048 0.000 1.019 205 I CA 0.228 61.532 61.300 0.008 0.000 1.302 205 I CB 0.894 38.781 38.000 -0.189 0.000 1.401 205 I HN 0.614 nan 8.210 nan 0.000 0.485 206 W N 6.938 128.214 121.300 -0.039 0.000 2.496 206 W HA 0.517 5.178 4.660 0.002 0.000 0.327 206 W C -0.720 175.850 176.519 0.084 0.000 1.086 206 W CA -0.555 56.799 57.345 0.015 0.000 1.222 206 W CB 0.856 30.315 29.460 -0.002 0.000 1.304 206 W HN 0.284 nan 8.180 nan 0.000 0.547 207 Y N 3.460 123.851 120.300 0.151 0.000 2.396 207 Y HA 0.237 4.788 4.550 0.002 0.000 0.332 207 Y C 0.380 176.333 175.900 0.089 0.000 1.034 207 Y CA -1.509 56.642 58.100 0.085 0.000 1.057 207 Y CB 1.198 39.684 38.460 0.042 0.000 1.220 207 Y HN 0.598 nan 8.280 nan 0.000 0.440 208 N N 4.103 122.581 118.700 -0.369 0.000 2.735 208 N HA -0.249 4.492 4.740 0.002 0.000 0.248 208 N C -0.328 175.179 175.510 -0.005 0.000 1.083 208 N CA 1.515 54.422 53.050 -0.239 0.000 0.703 208 N CB -0.654 37.696 38.487 -0.228 0.000 1.005 208 N HN 0.905 nan 8.380 nan 0.000 0.550 209 R N -2.438 118.125 120.500 0.105 0.000 3.641 209 R HA -0.245 4.096 4.340 0.002 0.000 0.286 209 R C -0.599 175.959 176.300 0.430 0.000 1.153 209 R CA 1.433 57.699 56.100 0.277 0.000 0.775 209 R CB -1.714 28.669 30.300 0.138 0.000 1.215 209 R HN 0.545 nan 8.270 nan 0.000 0.474 210 R N 0.271 120.950 120.500 0.299 0.000 2.673 210 R HA 0.373 4.715 4.340 0.002 0.000 0.281 210 R C -2.535 173.551 176.300 -0.356 0.000 0.991 210 R CA -2.028 54.057 56.100 -0.024 0.000 0.896 210 R CB 2.398 32.689 30.300 -0.016 0.000 1.201 210 R HN -0.136 nan 8.270 nan 0.000 0.457 211 P HA 0.049 nan 4.420 nan 0.000 0.276 211 P C -0.138 176.925 177.300 -0.394 0.000 1.230 211 P CA -0.048 62.472 63.100 -0.966 0.000 0.776 211 P CB 1.472 32.521 31.700 -1.086 0.000 0.888 212 V N 1.960 121.725 119.914 -0.249 0.000 3.159 212 V HA 0.157 4.278 4.120 0.002 0.000 0.234 212 V C 0.810 176.861 176.094 -0.072 0.000 1.313 212 V CA 1.103 63.340 62.300 -0.106 0.000 1.271 212 V CB 0.264 32.075 31.823 -0.020 0.000 1.053 212 V HN 0.527 nan 8.190 nan 0.000 0.476 213 T N 0.889 115.404 114.554 -0.065 0.000 2.900 213 T HA 0.707 5.059 4.350 0.002 0.000 0.295 213 T C -1.339 173.341 174.700 -0.034 0.000 1.044 213 T CA -0.401 61.692 62.100 -0.012 0.000 0.995 213 T CB 2.656 71.573 68.868 0.082 0.000 1.072 213 T HN 0.235 nan 8.240 nan 0.000 0.473 214 E N 1.217 121.404 120.200 -0.022 0.000 2.293 214 E HA 0.693 5.044 4.350 0.002 0.000 0.270 214 E C -1.046 175.533 176.600 -0.036 0.000 0.879 214 E CA -0.550 55.825 56.400 -0.041 0.000 0.756 214 E CB 2.102 31.772 29.700 -0.049 0.000 1.208 214 E HN 0.461 nan 8.360 nan 0.000 0.428 215 I N 1.745 122.268 120.570 -0.077 0.000 2.478 215 I HA 0.312 4.484 4.170 0.002 0.000 0.287 215 I C -0.370 175.701 176.117 -0.076 0.000 1.042 215 I CA -0.727 60.517 61.300 -0.093 0.000 1.067 215 I CB 1.627 39.478 38.000 -0.249 0.000 1.233 215 I HN 0.407 nan 8.210 nan 0.000 0.431 216 N N 3.076 121.766 118.700 -0.016 0.000 2.515 216 N HA 0.153 4.895 4.740 0.002 0.000 0.279 216 N C -0.087 175.422 175.510 -0.002 0.000 1.164 216 N CA -0.174 52.864 53.050 -0.019 0.000 0.982 216 N CB 1.438 39.928 38.487 0.006 0.000 1.170 216 N HN 0.575 nan 8.380 nan 0.000 0.474 217 T N 1.615 116.114 114.554 -0.093 0.000 2.933 217 T HA -0.061 4.291 4.350 0.002 0.000 0.306 217 T C 0.982 175.656 174.700 -0.043 0.000 1.045 217 T CA 0.382 62.353 62.100 -0.214 0.000 1.143 217 T CB 0.016 68.774 68.868 -0.183 0.000 1.003 217 T HN 0.665 nan 8.240 nan 0.000 0.540 218 W N 3.415 124.666 121.300 -0.083 0.000 2.907 218 W HA 0.590 5.251 4.660 0.002 0.000 0.271 218 W C 1.417 177.915 176.519 -0.035 0.000 1.253 218 W CA 0.110 57.413 57.345 -0.069 0.000 1.501 218 W CB -0.081 29.310 29.460 -0.114 0.000 1.047 218 W HN 0.673 nan 8.180 nan 0.000 0.610 219 A N 1.258 124.001 122.820 -0.128 0.000 2.469 219 A HA 0.337 4.658 4.320 0.002 0.000 0.245 219 A C 1.223 178.764 177.584 -0.071 0.000 1.221 219 A CA -0.227 51.788 52.037 -0.036 0.000 0.946 219 A CB -0.274 18.703 19.000 -0.039 0.000 1.049 219 A HN 0.187 nan 8.150 nan 0.000 0.529 220 R N 0.137 120.572 120.500 -0.109 0.000 3.516 220 R HA -0.191 4.150 4.340 0.002 0.000 0.271 220 R C -0.455 175.802 176.300 -0.071 0.000 1.098 220 R CA 1.300 57.355 56.100 -0.075 0.000 0.732 220 R CB -2.929 27.352 30.300 -0.032 0.000 1.152 220 R HN 0.722 nan 8.270 nan 0.000 0.455 221 N N 0.538 119.177 118.700 -0.102 0.000 2.751 221 N HA 0.204 4.945 4.740 0.002 0.000 0.238 221 N C -0.346 175.118 175.510 -0.076 0.000 1.351 221 N CA -0.470 52.535 53.050 -0.075 0.000 0.751 221 N CB 0.561 39.012 38.487 -0.060 0.000 1.342 221 N HN 0.278 nan 8.380 nan 0.000 0.540 222 I N 1.556 122.099 120.570 -0.045 0.000 7.277 222 I HA -0.304 3.867 4.170 0.002 0.000 0.126 222 I C -0.135 176.015 176.117 0.054 0.000 1.720 222 I CA 0.154 61.463 61.300 0.016 0.000 2.268 222 I CB -0.829 37.132 38.000 -0.065 0.000 3.404 222 I HN 0.504 nan 8.210 nan 0.000 0.234 223 L N 6.900 128.131 121.223 0.014 0.000 2.559 223 L HA 0.209 4.550 4.340 0.002 0.000 0.274 223 L C 0.863 177.806 176.870 0.122 0.000 1.205 223 L CA 0.813 55.572 54.840 -0.135 0.000 0.907 223 L CB 0.142 42.021 42.059 -0.300 0.000 1.153 223 L HN 0.527 nan 8.230 nan 0.000 0.490 224 R N 2.561 123.136 120.500 0.125 0.000 2.799 224 R HA 0.750 5.092 4.340 0.002 0.000 0.270 224 R C -0.772 175.640 176.300 0.186 0.000 1.010 224 R CA -0.806 55.422 56.100 0.214 0.000 0.916 224 R CB 1.515 31.940 30.300 0.209 0.000 1.228 224 R HN 0.549 nan 8.270 nan 0.000 0.469 225 T N -1.229 113.386 114.554 0.103 0.000 2.573 225 T HA 0.157 4.508 4.350 0.002 0.000 0.259 225 T C 0.715 175.368 174.700 -0.079 0.000 0.886 225 T CA -0.385 61.672 62.100 -0.072 0.000 1.110 225 T CB 1.444 70.130 68.868 -0.304 0.000 1.421 225 T HN 0.661 nan 8.240 nan 0.000 0.523 226 Q N 0.135 119.831 119.800 -0.174 0.000 2.061 226 Q HA -0.091 4.250 4.340 0.002 0.000 0.204 226 Q C -0.061 175.864 176.000 -0.126 0.000 0.984 226 Q CA 1.688 57.397 55.803 -0.157 0.000 0.846 226 Q CB -0.006 28.603 28.738 -0.215 0.000 0.902 226 Q HN 0.624 nan 8.270 nan 0.000 0.421 227 E N -0.671 119.431 120.200 -0.164 0.000 3.181 227 E HA -0.145 4.206 4.350 0.002 0.000 0.293 227 E C -0.544 175.792 176.600 -0.440 0.000 0.936 227 E CA 1.109 57.435 56.400 -0.123 0.000 0.975 227 E CB -2.094 27.693 29.700 0.146 0.000 1.496 227 E HN 0.471 nan 8.360 nan 0.000 0.429 228 S N -1.448 113.792 115.700 -0.767 0.000 2.643 228 S HA 0.482 4.954 4.470 0.002 0.000 0.270 228 S C -0.302 173.833 174.600 -0.775 0.000 1.166 228 S CA -0.598 57.038 58.200 -0.940 0.000 0.815 228 S CB 2.173 65.294 63.200 -0.131 0.000 1.139 228 S HN 0.232 nan 8.310 nan 0.000 0.472 229 E N 0.022 119.995 120.200 -0.378 0.000 2.398 229 E HA 0.414 4.765 4.350 0.002 0.000 0.263 229 E C 0.476 177.027 176.600 -0.081 0.000 1.046 229 E CA -0.790 55.525 56.400 -0.141 0.000 0.908 229 E CB 0.178 29.906 29.700 0.047 0.000 0.963 229 E HN 0.827 nan 8.360 nan 0.000 0.431 230 c N 1.511 120.081 118.600 -0.051 0.000 2.478 230 c HA 0.804 5.375 4.570 0.002 0.000 0.379 230 c C 0.095 174.210 174.090 0.042 0.000 1.470 230 c CA -0.880 55.436 56.329 -0.022 0.000 2.066 230 c CB 0.020 42.519 42.510 -0.017 0.000 2.001 230 c HN 0.600 nan 8.230 nan 0.000 0.550 231 V N -0.590 119.355 119.914 0.051 0.000 2.888 231 V HA 0.561 4.682 4.120 0.002 0.000 0.309 231 V C -0.396 175.760 176.094 0.104 0.000 1.114 231 V CA -0.239 62.108 62.300 0.078 0.000 0.940 231 V CB 1.246 33.093 31.823 0.040 0.000 1.021 231 V HN 1.203 nan 8.190 nan 0.000 0.426 232 c N 2.611 121.294 118.600 0.139 0.000 2.667 232 c HA 0.763 5.334 4.570 0.002 0.000 0.323 232 c C -0.429 173.771 174.090 0.184 0.000 1.214 232 c CA -0.568 55.853 56.329 0.154 0.000 1.721 232 c CB 1.398 44.008 42.510 0.168 0.000 2.275 232 c HN 1.032 nan 8.230 nan 0.000 0.491 233 H N 1.998 121.101 119.070 0.056 0.000 3.096 233 H HA 0.203 4.761 4.556 0.003 0.000 0.335 233 H C -0.119 175.223 175.328 0.024 0.000 0.990 233 H CA 0.067 56.150 56.048 0.058 0.000 1.393 233 H CB 0.784 30.580 29.762 0.056 0.000 1.742 233 H HN 0.900 nan 8.280 nan 0.000 0.501 234 N N 3.436 121.929 118.700 -0.345 0.000 2.727 234 N HA -0.224 4.517 4.740 0.002 0.000 0.249 234 N C 1.073 176.343 175.510 -0.400 0.000 1.048 234 N CA 2.278 55.195 53.050 -0.223 0.000 0.714 234 N CB -1.200 37.138 38.487 -0.248 0.000 0.959 234 N HN 1.156 nan 8.380 nan 0.000 0.544 235 G N -3.009 105.376 108.800 -0.691 0.000 2.268 235 G HA2 -0.285 3.677 3.960 0.002 0.000 0.240 235 G HA3 -0.285 3.677 3.960 0.002 0.000 0.240 235 G C 0.031 174.659 174.900 -0.453 0.000 1.010 235 G CA 0.192 44.529 45.100 -1.272 0.000 0.618 235 G HN 0.853 nan 8.290 nan 0.000 0.516 236 V N 1.505 121.312 119.914 -0.178 0.000 2.406 236 V HA 0.476 4.598 4.120 0.002 0.000 0.272 236 V C 0.501 176.661 176.094 0.110 0.000 1.043 236 V CA -0.228 62.084 62.300 0.018 0.000 0.915 236 V CB 1.223 33.099 31.823 0.089 0.000 0.988 236 V HN 0.494 nan 8.190 nan 0.000 0.466 237 c N 7.500 126.196 118.600 0.159 0.000 2.294 237 c HA 0.457 5.028 4.570 0.002 0.000 0.319 237 c C -2.359 171.850 174.090 0.197 0.000 1.164 237 c CA -1.584 54.851 56.329 0.176 0.000 1.497 237 c CB 0.407 43.026 42.510 0.181 0.000 2.061 237 c HN 0.613 nan 8.230 nan 0.000 0.438 238 P HA 0.402 nan 4.420 nan 0.000 0.275 238 P C -0.681 176.592 177.300 -0.046 0.000 1.227 238 P CA 0.038 63.059 63.100 -0.132 0.000 0.781 238 P CB 0.800 32.343 31.700 -0.261 0.000 0.906 239 V N 3.426 123.315 119.914 -0.040 0.000 2.686 239 V HA 0.260 4.381 4.120 0.002 0.000 0.306 239 V C -0.250 175.742 176.094 -0.169 0.000 1.065 239 V CA -0.762 61.486 62.300 -0.088 0.000 0.894 239 V CB 2.478 34.304 31.823 0.005 0.000 1.004 239 V HN 0.181 nan 8.190 nan 0.000 0.424 240 V N 4.971 124.733 119.914 -0.255 0.000 2.407 240 V HA 0.541 4.663 4.120 0.002 0.000 0.278 240 V C -0.573 175.389 176.094 -0.219 0.000 1.037 240 V CA -0.229 61.977 62.300 -0.156 0.000 0.900 240 V CB 0.972 32.716 31.823 -0.131 0.000 0.983 240 V HN 0.638 nan 8.190 nan 0.000 0.459 241 F N 1.778 121.814 119.950 0.144 0.000 2.538 241 F HA 0.729 5.257 4.527 0.002 0.000 0.325 241 F C 0.517 176.442 175.800 0.207 0.000 1.066 241 F CA -0.469 57.648 58.000 0.195 0.000 0.946 241 F CB 2.489 41.727 39.000 0.398 0.000 1.199 241 F HN 0.329 nan 8.300 nan 0.000 0.473 242 T N 1.119 115.864 114.554 0.318 0.000 2.916 242 T HA 0.368 4.719 4.350 0.002 0.000 0.298 242 T C -1.925 172.787 174.700 0.020 0.000 1.031 242 T CA -0.691 61.514 62.100 0.177 0.000 0.993 242 T CB 1.798 70.691 68.868 0.042 0.000 1.045 242 T HN 0.425 nan 8.240 nan 0.000 0.454 243 D N 0.818 121.183 120.400 -0.058 0.000 2.896 243 D HA 0.677 5.319 4.640 0.002 0.000 0.241 243 D C 0.111 176.336 176.300 -0.126 0.000 1.188 243 D CA 0.460 54.267 54.000 -0.321 0.000 0.879 243 D CB 1.739 41.877 40.800 -1.104 0.000 1.553 243 D HN 0.966 nan 8.370 nan 0.000 0.515 244 G N 1.320 110.063 108.800 -0.095 0.000 2.316 244 G HA2 0.137 4.099 3.960 0.002 0.000 0.349 244 G HA3 0.137 4.099 3.960 0.002 0.000 0.349 244 G C -0.626 174.275 174.900 0.001 0.000 1.274 244 G CA -0.238 44.842 45.100 -0.033 0.000 1.018 244 G HN 0.600 nan 8.290 nan 0.000 0.486 245 S N -0.258 115.444 115.700 0.003 0.000 2.558 245 S HA 0.451 4.922 4.470 0.002 0.000 0.291 245 S C 1.549 176.220 174.600 0.118 0.000 1.306 245 S CA 1.061 59.261 58.200 -0.000 0.000 1.056 245 S CB 0.826 63.973 63.200 -0.089 0.000 0.836 245 S HN 2.159 nan 8.310 nan 0.000 0.504 246 A N 3.137 125.998 122.820 0.068 0.000 2.267 246 A HA 0.230 4.552 4.320 0.002 0.000 0.213 246 A C 1.527 179.044 177.584 -0.112 0.000 1.192 246 A CA 0.686 52.793 52.037 0.117 0.000 0.851 246 A CB -0.131 18.924 19.000 0.092 0.000 0.881 246 A HN 1.012 nan 8.150 nan 0.000 0.494 247 T N -4.104 110.345 114.554 -0.174 0.000 3.252 247 T HA 0.539 4.890 4.350 0.002 0.000 0.286 247 T C 0.440 174.761 174.700 -0.633 0.000 1.013 247 T CA 0.373 62.335 62.100 -0.230 0.000 0.914 247 T CB 0.328 69.145 68.868 -0.086 0.000 1.131 247 T HN 0.732 nan 8.240 nan 0.000 0.529 248 G N 1.613 109.916 108.800 -0.828 0.000 2.645 248 G HA2 0.653 4.614 3.960 0.002 0.000 0.292 248 G HA3 0.653 4.614 3.960 0.002 0.000 0.292 248 G C -3.293 171.069 174.900 -0.896 0.000 1.415 248 G CA -1.445 42.859 45.100 -1.326 0.000 0.785 248 G HN -0.026 nan 8.290 nan 0.000 0.483 249 P HA 0.377 nan 4.420 nan 0.000 0.264 249 P C -0.210 177.081 177.300 -0.016 0.000 1.183 249 P CA 0.471 63.468 63.100 -0.172 0.000 0.763 249 P CB 1.378 33.023 31.700 -0.092 0.000 0.807 250 A N 3.290 126.165 122.820 0.092 0.000 2.437 250 A HA 0.541 4.862 4.320 0.002 0.000 0.288 250 A C -0.688 176.956 177.584 0.099 0.000 1.201 250 A CA -0.711 51.365 52.037 0.065 0.000 0.795 250 A CB 1.172 20.188 19.000 0.027 0.000 1.359 250 A HN 0.502 nan 8.150 nan 0.000 0.435 251 E N 0.903 121.196 120.200 0.154 0.000 2.063 251 E HA 0.413 4.764 4.350 0.002 0.000 0.265 251 E C -1.095 175.716 176.600 0.350 0.000 0.919 251 E CA -0.254 56.304 56.400 0.263 0.000 0.756 251 E CB 1.342 31.279 29.700 0.395 0.000 1.120 251 E HN 0.470 nan 8.360 nan 0.000 0.414 252 T N 3.232 117.919 114.554 0.221 0.000 2.829 252 T HA 0.437 4.789 4.350 0.002 0.000 0.282 252 T C -0.014 174.790 174.700 0.173 0.000 0.990 252 T CA -0.561 61.666 62.100 0.213 0.000 1.028 252 T CB 0.898 69.825 68.868 0.098 0.000 0.951 252 T HN 0.257 nan 8.240 nan 0.000 0.460 253 R N 1.880 122.501 120.500 0.201 0.000 2.744 253 R HA 0.565 4.906 4.340 0.002 0.000 0.279 253 R C -0.973 175.395 176.300 0.114 0.000 0.977 253 R CA -0.959 55.175 56.100 0.056 0.000 0.906 253 R CB 1.730 31.842 30.300 -0.313 0.000 1.197 253 R HN 0.429 nan 8.270 nan 0.000 0.463 254 I N 3.241 123.790 120.570 -0.036 0.000 2.355 254 I HA 0.267 4.438 4.170 0.002 0.000 0.288 254 I C -0.708 175.264 176.117 -0.242 0.000 0.999 254 I CA -0.651 60.543 61.300 -0.177 0.000 1.163 254 I CB 0.739 38.483 38.000 -0.427 0.000 1.316 254 I HN 0.493 nan 8.210 nan 0.000 0.454 255 Y N 5.643 125.803 120.300 -0.233 0.000 2.342 255 Y HA 0.371 4.923 4.550 0.002 0.000 0.334 255 Y C -0.413 175.120 175.900 -0.611 0.000 1.067 255 Y CA -0.279 57.616 58.100 -0.341 0.000 1.128 255 Y CB 1.361 39.571 38.460 -0.416 0.000 1.200 255 Y HN 0.320 nan 8.280 nan 0.000 0.464 256 Y N 3.848 124.019 120.300 -0.215 0.000 2.417 256 Y HA 0.406 4.958 4.550 0.002 0.000 0.336 256 Y C -0.941 174.845 175.900 -0.190 0.000 0.961 256 Y CA -0.885 57.141 58.100 -0.125 0.000 1.215 256 Y CB 0.322 38.739 38.460 -0.073 0.000 1.120 256 Y HN 0.393 nan 8.280 nan 0.000 0.499 257 F N 2.274 122.338 119.950 0.190 0.000 2.432 257 F HA 0.603 5.131 4.527 0.002 0.000 0.329 257 F C 0.028 175.844 175.800 0.027 0.000 1.076 257 F CA -1.152 56.916 58.000 0.113 0.000 1.018 257 F CB 1.726 40.778 39.000 0.088 0.000 1.201 257 F HN 0.176 nan 8.300 nan 0.000 0.489 258 K N 1.414 121.910 120.400 0.160 0.000 2.601 258 K HA 0.270 4.591 4.320 0.002 0.000 0.249 258 K C -0.787 175.724 176.600 -0.148 0.000 0.966 258 K CA -0.374 55.893 56.287 -0.032 0.000 0.827 258 K CB 0.840 33.309 32.500 -0.052 0.000 1.178 258 K HN 0.746 nan 8.250 nan 0.000 0.437 259 E N 2.535 122.494 120.200 -0.403 0.000 2.476 259 E HA -0.276 4.076 4.350 0.002 0.000 0.251 259 E C 0.529 176.619 176.600 -0.849 0.000 1.130 259 E CA 0.799 56.591 56.400 -1.013 0.000 0.736 259 E CB -1.379 28.072 29.700 -0.415 0.000 1.298 259 E HN 1.161 nan 8.360 nan 0.000 0.400 260 G N -0.695 107.808 108.800 -0.494 0.000 2.212 260 G HA2 -0.362 3.600 3.960 0.002 0.000 0.266 260 G HA3 -0.362 3.600 3.960 0.002 0.000 0.266 260 G C 0.240 175.179 174.900 0.064 0.000 0.978 260 G CA 0.885 45.889 45.100 -0.159 0.000 0.632 260 G HN 0.163 nan 8.290 nan 0.000 0.537 261 K N 0.277 120.731 120.400 0.090 0.000 2.098 261 K HA 0.650 4.971 4.320 0.002 0.000 0.258 261 K C 0.373 177.137 176.600 0.274 0.000 0.973 261 K CA -0.966 55.419 56.287 0.164 0.000 0.898 261 K CB 1.619 34.162 32.500 0.072 0.000 1.057 261 K HN 0.247 nan 8.250 nan 0.000 0.447 262 I N 3.031 123.738 120.570 0.229 0.000 2.352 262 I HA 0.012 4.184 4.170 0.002 0.000 0.290 262 I C 1.423 177.587 176.117 0.079 0.000 1.036 262 I CA -0.087 61.291 61.300 0.130 0.000 1.336 262 I CB 0.417 38.530 38.000 0.188 0.000 1.407 262 I HN 0.363 nan 8.210 nan 0.000 0.497 263 L N 5.681 126.932 121.223 0.047 0.000 2.253 263 L HA 0.228 4.569 4.340 0.002 0.000 0.205 263 L C 0.797 177.659 176.870 -0.014 0.000 1.078 263 L CA 0.608 55.460 54.840 0.020 0.000 0.805 263 L CB -0.042 42.028 42.059 0.018 0.000 0.963 263 L HN 0.599 nan 8.230 nan 0.000 0.459 264 K N -0.293 120.112 120.400 0.009 0.000 2.685 264 K HA 0.201 4.523 4.320 0.002 0.000 0.290 264 K C -2.313 174.307 176.600 0.033 0.000 1.018 264 K CA -0.791 55.465 56.287 -0.052 0.000 0.860 264 K CB 1.608 34.031 32.500 -0.128 0.000 1.498 264 K HN 0.087 nan 8.250 nan 0.000 0.390 265 W N 1.790 122.927 121.300 -0.272 0.000 3.217 265 W HA 0.589 5.251 4.660 0.002 0.000 0.323 265 W C -1.566 174.773 176.519 -0.300 0.000 1.216 265 W CA -0.629 56.405 57.345 -0.517 0.000 1.194 265 W CB 1.139 29.762 29.460 -1.396 0.000 1.397 265 W HN 0.585 nan 8.180 nan 0.000 0.537 266 E N 3.163 123.477 120.200 0.191 0.000 2.288 266 E HA 0.415 4.766 4.350 0.002 0.000 0.268 266 E C -2.451 174.341 176.600 0.321 0.000 0.885 266 E CA -2.103 54.381 56.400 0.140 0.000 0.767 266 E CB 3.151 32.990 29.700 0.232 0.000 1.220 266 E HN 0.037 nan 8.360 nan 0.000 0.427 267 P HA 0.012 nan 4.420 nan 0.000 0.272 267 P C -0.325 177.122 177.300 0.245 0.000 1.223 267 P CA -0.551 62.696 63.100 0.246 0.000 0.784 267 P CB 0.698 32.516 31.700 0.197 0.000 0.923 268 L N 2.064 123.410 121.223 0.205 0.000 2.525 268 L HA 0.310 4.651 4.340 0.002 0.000 0.278 268 L C -0.139 176.898 176.870 0.278 0.000 1.218 268 L CA 0.673 55.678 54.840 0.274 0.000 0.878 268 L CB -0.500 41.656 42.059 0.162 0.000 1.127 268 L HN 0.579 nan 8.230 nan 0.000 0.492 269 A N 3.193 126.217 122.820 0.340 0.000 2.435 269 A HA 0.955 5.277 4.320 0.002 0.000 0.296 269 A C 0.191 177.781 177.584 0.009 0.000 1.147 269 A CA -0.023 52.028 52.037 0.023 0.000 0.775 269 A CB 0.955 19.798 19.000 -0.262 0.000 1.340 269 A HN 1.867 nan 8.150 nan 0.000 0.427 270 G N -0.783 108.006 108.800 -0.017 0.000 2.582 270 G HA2 0.149 4.110 3.960 0.002 0.000 0.222 270 G HA3 0.149 4.110 3.960 0.002 0.000 0.222 270 G C 0.529 175.452 174.900 0.040 0.000 1.311 270 G CA 0.694 45.794 45.100 -0.001 0.000 0.915 270 G HN 2.085 nan 8.290 nan 0.000 0.528 271 T N -1.218 113.365 114.554 0.049 0.000 3.086 271 T HA 0.631 4.982 4.350 0.002 0.000 0.250 271 T C 1.228 176.011 174.700 0.137 0.000 1.074 271 T CA 1.534 63.694 62.100 0.100 0.000 0.988 271 T CB 0.197 69.142 68.868 0.127 0.000 0.988 271 T HN 2.144 nan 8.240 nan 0.000 0.530 272 A N 1.793 124.619 122.820 0.010 0.000 2.477 272 A HA 0.369 4.690 4.320 0.002 0.000 0.246 272 A C 1.298 178.960 177.584 0.131 0.000 1.078 272 A CA -0.460 51.513 52.037 -0.107 0.000 0.770 272 A CB 0.409 19.278 19.000 -0.219 0.000 1.011 272 A HN 0.361 nan 8.150 nan 0.000 0.494 273 K N 0.581 121.152 120.400 0.285 0.000 2.284 273 K HA 0.058 4.379 4.320 0.002 0.000 0.198 273 K C 0.218 177.103 176.600 0.475 0.000 1.048 273 K CA 0.657 57.160 56.287 0.360 0.000 0.987 273 K CB 0.271 32.957 32.500 0.310 0.000 0.800 273 K HN 0.828 nan 8.250 nan 0.000 0.486 274 H N -0.147 119.092 119.070 0.282 0.000 3.029 274 H HA 0.298 4.855 4.556 0.002 0.000 0.358 274 H C -1.564 173.855 175.328 0.152 0.000 1.129 274 H CA -0.560 55.649 56.048 0.267 0.000 1.230 274 H CB 1.551 31.544 29.762 0.386 0.000 1.827 274 H HN -0.153 nan 8.280 nan 0.000 0.530 275 I N 3.727 124.204 120.570 -0.155 0.000 2.498 275 I HA 0.331 4.503 4.170 0.002 0.000 0.290 275 I C -0.382 175.674 176.117 -0.101 0.000 1.032 275 I CA -0.370 60.888 61.300 -0.071 0.000 1.073 275 I CB 2.007 39.976 38.000 -0.052 0.000 1.251 275 I HN 0.646 nan 8.210 nan 0.000 0.426 276 E N 3.959 124.157 120.200 -0.002 0.000 2.392 276 E HA 0.269 4.620 4.350 0.002 0.000 0.279 276 E C -1.099 175.501 176.600 -0.001 0.000 0.964 276 E CA -0.814 55.597 56.400 0.019 0.000 0.777 276 E CB 2.130 31.888 29.700 0.096 0.000 1.249 276 E HN 0.480 nan 8.360 nan 0.000 0.449 277 E N 0.213 120.406 120.200 -0.012 0.000 2.160 277 E HA -0.234 4.117 4.350 0.002 0.000 0.180 277 E C -0.794 175.765 176.600 -0.068 0.000 1.452 277 E CA 0.104 56.475 56.400 -0.048 0.000 0.683 277 E CB -1.535 28.116 29.700 -0.082 0.000 1.072 277 E HN 0.323 nan 8.360 nan 0.000 0.332 278 c N 1.478 120.035 118.600 -0.073 0.000 2.637 278 c HA 0.203 4.774 4.570 0.002 0.000 0.418 278 c C 1.145 175.197 174.090 -0.063 0.000 1.319 278 c CA -0.285 56.003 56.329 -0.069 0.000 1.949 278 c CB 0.589 43.049 42.510 -0.084 0.000 2.639 278 c HN 0.415 nan 8.230 nan 0.000 0.594 279 S N 1.955 117.640 115.700 -0.025 0.000 2.438 279 S HA 0.484 4.956 4.470 0.002 0.000 0.316 279 S C -0.315 174.298 174.600 0.022 0.000 1.084 279 S CA -0.452 57.756 58.200 0.014 0.000 1.107 279 S CB 0.396 63.643 63.200 0.077 0.000 0.981 279 S HN 0.856 nan 8.310 nan 0.000 0.466 280 c N 3.248 121.856 118.600 0.013 0.000 2.562 280 c HA 0.932 5.503 4.570 0.002 0.000 0.332 280 c C -0.641 173.505 174.090 0.093 0.000 1.201 280 c CA -1.014 55.306 56.329 -0.014 0.000 1.803 280 c CB 0.319 42.787 42.510 -0.070 0.000 2.328 280 c HN 0.952 nan 8.230 nan 0.000 0.500 281 Y N -1.067 119.223 120.300 -0.017 0.000 2.638 281 Y HA 0.818 5.369 4.550 0.002 0.000 0.335 281 Y C -0.393 175.529 175.900 0.036 0.000 1.155 281 Y CA -0.846 57.268 58.100 0.024 0.000 1.046 281 Y CB 1.015 39.526 38.460 0.086 0.000 1.303 281 Y HN 0.916 nan 8.280 nan 0.000 0.460 282 G N 0.689 109.568 108.800 0.132 0.000 2.563 282 G HA2 0.682 4.643 3.960 0.002 0.000 0.302 282 G HA3 0.682 4.643 3.960 0.002 0.000 0.302 282 G C -1.967 173.088 174.900 0.259 0.000 1.301 282 G CA -1.080 44.058 45.100 0.063 0.000 0.965 282 G HN 0.974 nan 8.290 nan 0.000 0.480 283 E N -0.496 119.852 120.200 0.245 0.000 2.378 283 E HA 0.514 4.865 4.350 0.002 0.000 0.283 283 E C -0.215 176.489 176.600 0.174 0.000 0.979 283 E CA -1.156 55.449 56.400 0.342 0.000 0.795 283 E CB 0.934 30.869 29.700 0.392 0.000 1.221 283 E HN 0.564 nan 8.360 nan 0.000 0.428 284 R N 1.919 122.502 120.500 0.138 0.000 3.158 284 R HA -0.122 4.220 4.340 0.002 0.000 0.244 284 R C 0.162 176.467 176.300 0.007 0.000 0.900 284 R CA 0.678 56.814 56.100 0.060 0.000 0.618 284 R CB -2.243 28.081 30.300 0.040 0.000 1.061 284 R HN 1.543 nan 8.270 nan 0.000 0.471 285 A N -0.496 122.303 122.820 -0.036 0.000 2.826 285 A HA -0.286 4.035 4.320 0.002 0.000 0.274 285 A C 0.308 177.760 177.584 -0.220 0.000 1.443 285 A CA 2.000 53.866 52.037 -0.285 0.000 0.833 285 A CB -0.905 17.916 19.000 -0.298 0.000 1.023 285 A HN 0.734 nan 8.150 nan 0.000 0.600 286 E N -1.042 119.099 120.200 -0.098 0.000 2.314 286 E HA 0.742 5.094 4.350 0.002 0.000 0.272 286 E C -0.874 175.678 176.600 -0.079 0.000 0.884 286 E CA -0.894 55.461 56.400 -0.075 0.000 0.753 286 E CB 1.335 31.011 29.700 -0.041 0.000 1.213 286 E HN 0.473 nan 8.360 nan 0.000 0.432 287 I N 2.807 123.319 120.570 -0.096 0.000 2.406 287 I HA 0.312 4.484 4.170 0.002 0.000 0.290 287 I C -0.640 175.339 176.117 -0.230 0.000 0.999 287 I CA -0.556 60.649 61.300 -0.158 0.000 1.124 287 I CB 2.164 40.114 38.000 -0.084 0.000 1.289 287 I HN 0.437 nan 8.210 nan 0.000 0.441 288 T N 4.799 119.076 114.554 -0.462 0.000 2.797 288 T HA 0.438 4.789 4.350 0.002 0.000 0.279 288 T C -0.701 173.771 174.700 -0.379 0.000 0.991 288 T CA -0.361 61.480 62.100 -0.431 0.000 0.979 288 T CB 1.008 69.542 68.868 -0.557 0.000 0.943 288 T HN 0.508 nan 8.240 nan 0.000 0.444 289 c N 2.763 121.253 118.600 -0.183 0.000 2.408 289 c HA 0.710 5.281 4.570 0.002 0.000 0.321 289 c C 0.505 174.558 174.090 -0.061 0.000 1.245 289 c CA -0.799 55.465 56.329 -0.110 0.000 1.523 289 c CB 1.213 43.663 42.510 -0.100 0.000 2.178 289 c HN 0.865 nan 8.230 nan 0.000 0.488 290 T N 2.451 116.992 114.554 -0.022 0.000 2.772 290 T HA 0.500 4.852 4.350 0.002 0.000 0.288 290 T C 0.066 174.753 174.700 -0.021 0.000 0.994 290 T CA -0.192 61.898 62.100 -0.016 0.000 0.951 290 T CB 0.388 69.257 68.868 0.001 0.000 0.933 290 T HN 0.828 nan 8.240 nan 0.000 0.447 291 c N 2.111 120.691 118.600 -0.034 0.000 2.824 291 c HA 0.764 5.335 4.570 0.002 0.000 0.405 291 c C 0.317 174.403 174.090 -0.006 0.000 2.178 291 c CA -1.162 55.150 56.329 -0.030 0.000 1.755 291 c CB 0.878 43.364 42.510 -0.040 0.000 2.291 291 c HN 0.875 nan 8.230 nan 0.000 0.462 292 R N 1.168 121.678 120.500 0.017 0.000 2.476 292 R HA 0.331 4.672 4.340 0.002 0.000 0.305 292 R C -1.740 174.653 176.300 0.155 0.000 0.965 292 R CA -0.061 56.077 56.100 0.063 0.000 0.867 292 R CB 0.997 31.316 30.300 0.031 0.000 1.176 292 R HN 0.842 nan 8.270 nan 0.000 0.447 293 D N 3.708 124.228 120.400 0.200 0.000 2.456 293 D HA 0.033 4.675 4.640 0.002 0.000 0.219 293 D C 0.000 176.455 176.300 0.258 0.000 1.126 293 D CA -0.015 54.173 54.000 0.314 0.000 0.890 293 D CB 0.794 41.798 40.800 0.339 0.000 1.025 293 D HN 0.699 nan 8.370 nan 0.000 0.511 294 N N 3.254 122.140 118.700 0.310 0.000 2.354 294 N HA -0.122 4.619 4.740 0.002 0.000 0.179 294 N C 1.309 176.851 175.510 0.054 0.000 1.021 294 N CA 0.278 53.411 53.050 0.139 0.000 0.887 294 N CB 0.072 38.654 38.487 0.158 0.000 0.974 294 N HN 0.494 nan 8.380 nan 0.000 0.437 295 W N 1.961 123.061 121.300 -0.333 0.000 2.380 295 W HA -0.129 4.533 4.660 0.002 0.000 0.317 295 W C 1.865 178.328 176.519 -0.093 0.000 1.196 295 W CA 2.143 59.321 57.345 -0.278 0.000 1.307 295 W CB -0.265 28.961 29.460 -0.390 0.000 1.157 295 W HN 0.239 nan 8.180 nan 0.000 0.483 296 Q N -1.984 117.722 119.800 -0.157 0.000 2.063 296 Q HA 0.262 4.603 4.340 0.002 0.000 0.234 296 Q C 0.921 176.830 176.000 -0.152 0.000 0.748 296 Q CA 0.410 56.047 55.803 -0.276 0.000 0.915 296 Q CB 0.115 28.463 28.738 -0.650 0.000 1.188 296 Q HN 0.105 nan 8.270 nan 0.000 0.456 297 G N 0.633 109.403 108.800 -0.049 0.000 2.390 297 G HA2 0.367 4.329 3.960 0.002 0.000 0.270 297 G HA3 0.367 4.329 3.960 0.002 0.000 0.270 297 G C 0.018 174.956 174.900 0.064 0.000 1.211 297 G CA -0.249 44.849 45.100 -0.003 0.000 0.842 297 G HN 0.088 nan 8.290 nan 0.000 0.519 298 S N 0.775 116.517 115.700 0.070 0.000 2.502 298 S HA 0.041 4.512 4.470 0.002 0.000 0.215 298 S C 0.997 175.633 174.600 0.061 0.000 1.009 298 S CA -0.350 57.896 58.200 0.077 0.000 0.908 298 S CB -0.039 63.225 63.200 0.106 0.000 0.801 298 S HN 0.839 nan 8.310 nan 0.000 0.505 299 N N 1.782 120.530 118.700 0.081 0.000 2.495 299 N HA 0.246 4.987 4.740 0.002 0.000 0.280 299 N C -0.650 174.982 175.510 0.204 0.000 1.168 299 N CA -0.484 52.618 53.050 0.086 0.000 0.978 299 N CB 0.565 39.092 38.487 0.067 0.000 1.191 299 N HN 0.011 nan 8.380 nan 0.000 0.497 300 R N 0.219 120.819 120.500 0.167 0.000 2.368 300 R HA 0.409 4.750 4.340 0.002 0.000 0.302 300 R C -2.143 174.224 176.300 0.112 0.000 1.002 300 R CA -1.620 54.564 56.100 0.139 0.000 0.929 300 R CB 1.189 31.509 30.300 0.033 0.000 1.073 300 R HN 0.541 nan 8.270 nan 0.000 0.464 301 P HA 0.074 nan 4.420 nan 0.000 0.272 301 P C -0.663 176.533 177.300 -0.175 0.000 1.223 301 P CA -0.144 62.720 63.100 -0.392 0.000 0.784 301 P CB 0.993 32.407 31.700 -0.478 0.000 0.923 302 V N 3.740 123.552 119.914 -0.169 0.000 2.709 302 V HA 0.434 4.555 4.120 0.002 0.000 0.308 302 V C 0.253 176.306 176.094 -0.070 0.000 1.062 302 V CA -0.624 61.626 62.300 -0.084 0.000 0.901 302 V CB 2.035 33.832 31.823 -0.042 0.000 1.003 302 V HN 0.387 nan 8.190 nan 0.000 0.425 303 I N 3.916 124.456 120.570 -0.050 0.000 2.418 303 I HA 0.561 4.732 4.170 0.002 0.000 0.287 303 I C -0.294 175.813 176.117 -0.017 0.000 1.008 303 I CA -0.673 60.622 61.300 -0.009 0.000 1.104 303 I CB 2.005 39.991 38.000 -0.024 0.000 1.264 303 I HN 0.472 nan 8.210 nan 0.000 0.438 304 R N 5.969 126.481 120.500 0.019 0.000 2.338 304 R HA 0.689 5.030 4.340 0.002 0.000 0.317 304 R C -1.059 175.273 176.300 0.052 0.000 0.968 304 R CA -0.260 55.839 56.100 -0.002 0.000 0.849 304 R CB 1.218 31.515 30.300 -0.005 0.000 1.128 304 R HN 0.507 nan 8.270 nan 0.000 0.448 305 I N 1.373 121.960 120.570 0.028 0.000 2.474 305 I HA 0.282 4.453 4.170 0.002 0.000 0.294 305 I C -0.577 175.575 176.117 0.059 0.000 1.005 305 I CA -0.845 60.509 61.300 0.090 0.000 1.113 305 I CB 2.069 40.115 38.000 0.077 0.000 1.289 305 I HN 0.429 nan 8.210 nan 0.000 0.436 306 D N 7.947 128.399 120.400 0.086 0.000 2.427 306 D HA 0.262 4.903 4.640 0.002 0.000 0.226 306 D C -1.830 174.502 176.300 0.053 0.000 1.076 306 D CA -2.359 51.655 54.000 0.025 0.000 0.849 306 D CB 1.802 42.602 40.800 0.001 0.000 1.052 306 D HN 0.214 nan 8.370 nan 0.000 0.515 307 P HA -0.058 nan 4.420 nan 0.000 0.236 307 P C 1.220 178.554 177.300 0.057 0.000 1.177 307 P CA 0.165 63.335 63.100 0.116 0.000 0.773 307 P CB 0.832 32.608 31.700 0.127 0.000 0.878 308 V N 0.845 120.764 119.914 0.009 0.000 2.374 308 V HA -0.008 4.113 4.120 0.002 0.000 0.241 308 V C 2.733 178.797 176.094 -0.050 0.000 1.034 308 V CA 2.020 64.329 62.300 0.015 0.000 1.037 308 V CB -1.481 30.356 31.823 0.025 0.000 0.682 308 V HN 0.063 nan 8.190 nan 0.000 0.463 309 A N -1.250 121.528 122.820 -0.070 0.000 2.123 309 A HA 0.128 4.450 4.320 0.002 0.000 0.214 309 A C 1.345 178.812 177.584 -0.196 0.000 1.152 309 A CA 0.495 52.470 52.037 -0.103 0.000 0.728 309 A CB -0.488 18.468 19.000 -0.073 0.000 0.814 309 A HN 0.517 nan 8.150 nan 0.000 0.464 310 M N 0.481 119.928 119.600 -0.256 0.000 2.298 310 M HA -0.160 4.322 4.480 0.002 0.000 0.196 310 M C -0.062 175.990 176.300 -0.414 0.000 0.531 310 M CA 0.856 55.762 55.300 -0.658 0.000 0.459 310 M CB -2.341 29.660 32.600 -0.998 0.000 1.279 310 M HN 0.626 nan 8.290 nan 0.000 0.915 311 T N -2.731 111.792 114.554 -0.052 0.000 2.864 311 T HA 0.958 5.309 4.350 0.002 0.000 0.289 311 T C -0.492 174.348 174.700 0.234 0.000 1.082 311 T CA -0.681 61.466 62.100 0.078 0.000 1.009 311 T CB 2.818 71.671 68.868 -0.025 0.000 1.234 311 T HN 0.551 nan 8.240 nan 0.000 0.526 312 H N -1.444 117.661 119.070 0.058 0.000 2.932 312 H HA 0.743 5.300 4.556 0.002 0.000 0.307 312 H C -1.786 173.552 175.328 0.018 0.000 1.391 312 H CA -0.629 55.447 56.048 0.046 0.000 1.130 312 H CB 1.438 31.240 29.762 0.067 0.000 1.836 312 H HN 0.909 nan 8.280 nan 0.000 0.522 313 T N 0.047 114.568 114.554 -0.055 0.000 2.792 313 T HA 0.573 4.925 4.350 0.002 0.000 0.303 313 T C -1.419 173.313 174.700 0.053 0.000 1.310 313 T CA 0.053 62.088 62.100 -0.109 0.000 1.007 313 T CB 1.231 70.054 68.868 -0.075 0.000 1.335 313 T HN 1.078 nan 8.240 nan 0.000 0.504 314 S N 1.227 116.939 115.700 0.019 0.000 2.579 314 S HA 0.865 5.337 4.470 0.002 0.000 0.272 314 S C -1.086 173.497 174.600 -0.029 0.000 1.141 314 S CA -0.567 57.635 58.200 0.004 0.000 0.843 314 S CB 2.248 65.456 63.200 0.014 0.000 1.122 314 S HN 1.140 nan 8.310 nan 0.000 0.468 315 Q N 0.096 119.848 119.800 -0.080 0.000 2.854 315 Q HA 0.576 4.917 4.340 0.002 0.000 0.328 315 Q C -1.980 173.929 176.000 -0.153 0.000 0.808 315 Q CA -1.051 54.730 55.803 -0.037 0.000 0.817 315 Q CB 0.475 29.234 28.738 0.036 0.000 1.377 315 Q HN 0.682 nan 8.270 nan 0.000 0.497 316 Y N -0.077 120.238 120.300 0.025 0.000 2.549 316 Y HA 0.560 5.111 4.550 0.002 0.000 0.339 316 Y C 0.001 175.907 175.900 0.011 0.000 1.053 316 Y CA -1.068 57.044 58.100 0.021 0.000 1.105 316 Y CB 1.651 40.125 38.460 0.023 0.000 1.258 316 Y HN 0.457 nan 8.280 nan 0.000 0.478 317 I N 1.812 122.483 120.570 0.168 0.000 2.533 317 I HA -0.113 4.058 4.170 0.002 0.000 0.284 317 I C 0.491 176.655 176.117 0.078 0.000 1.109 317 I CA 0.103 61.453 61.300 0.083 0.000 1.412 317 I CB 0.500 38.523 38.000 0.040 0.000 1.396 317 I HN 0.845 nan 8.210 nan 0.000 0.543 318 c N 3.411 122.041 118.600 0.049 0.000 2.435 318 c HA -0.104 4.468 4.570 0.002 0.000 0.279 318 c C 1.870 175.952 174.090 -0.014 0.000 1.321 318 c CA 0.254 56.599 56.329 0.026 0.000 1.752 318 c CB -0.791 41.731 42.510 0.020 0.000 1.959 318 c HN 0.876 nan 8.230 nan 0.000 0.500 319 S N 1.820 117.503 115.700 -0.029 0.000 2.561 319 S HA -0.013 4.458 4.470 0.002 0.000 0.294 319 S C -0.828 173.707 174.600 -0.107 0.000 1.294 319 S CA -0.553 57.610 58.200 -0.063 0.000 1.055 319 S CB 0.670 63.831 63.200 -0.066 0.000 0.819 319 S HN 0.380 nan 8.310 nan 0.000 0.503 320 P HA 0.009 nan 4.420 nan 0.000 0.234 320 P C 0.047 177.226 177.300 -0.202 0.000 1.167 320 P CA 0.361 63.339 63.100 -0.204 0.000 0.763 320 P CB -0.104 31.499 31.700 -0.162 0.000 0.835 321 V N 2.656 122.480 119.914 -0.150 0.000 2.326 321 V HA 0.035 4.156 4.120 0.002 0.000 0.249 321 V C 0.987 176.995 176.094 -0.143 0.000 1.114 321 V CA -0.116 62.101 62.300 -0.139 0.000 1.028 321 V CB -0.706 31.044 31.823 -0.122 0.000 1.170 321 V HN -0.010 nan 8.190 nan 0.000 0.494 322 L N 4.807 125.935 121.223 -0.159 0.000 2.416 322 L HA 0.273 4.615 4.340 0.002 0.000 0.272 322 L C 1.355 178.162 176.870 -0.105 0.000 1.161 322 L CA 0.183 54.943 54.840 -0.133 0.000 0.845 322 L CB 0.961 42.933 42.059 -0.145 0.000 1.119 322 L HN 0.746 nan 8.230 nan 0.000 0.464 323 T N -3.940 110.564 114.554 -0.083 0.000 3.043 323 T HA 0.132 4.484 4.350 0.002 0.000 0.272 323 T C 0.305 174.974 174.700 -0.053 0.000 0.990 323 T CA -0.511 61.531 62.100 -0.096 0.000 0.897 323 T CB 0.207 68.992 68.868 -0.137 0.000 1.111 323 T HN 0.436 nan 8.240 nan 0.000 0.529 324 D N 1.979 122.371 120.400 -0.014 0.000 2.478 324 D HA 0.345 4.987 4.640 0.002 0.000 0.269 324 D C -0.462 175.854 176.300 0.027 0.000 1.232 324 D CA -0.318 53.693 54.000 0.020 0.000 1.059 324 D CB 1.003 41.831 40.800 0.045 0.000 1.104 324 D HN 0.313 nan 8.370 nan 0.000 0.566 325 N N 0.104 118.836 118.700 0.054 0.000 2.521 325 N HA 0.180 4.922 4.740 0.002 0.000 0.269 325 N C -3.042 172.516 175.510 0.079 0.000 1.079 325 N CA -1.061 52.028 53.050 0.065 0.000 0.980 325 N CB 2.527 41.066 38.487 0.086 0.000 1.667 325 N HN 0.077 nan 8.380 nan 0.000 0.498 326 P HA 0.241 nan 4.420 nan 0.000 0.273 326 P C -0.920 176.408 177.300 0.046 0.000 1.250 326 P CA 0.068 63.202 63.100 0.056 0.000 0.793 326 P CB 1.056 32.787 31.700 0.053 0.000 1.011 327 R N -1.054 119.468 120.500 0.037 0.000 2.716 327 R HA 0.676 5.017 4.340 0.002 0.000 0.271 327 R C -3.110 173.211 176.300 0.035 0.000 1.028 327 R CA -2.037 54.085 56.100 0.037 0.000 0.883 327 R CB 0.027 30.338 30.300 0.019 0.000 1.250 327 R HN 0.124 nan 8.270 nan 0.000 0.465 328 P HA 0.154 nan 4.420 nan 0.000 0.279 328 P C -0.773 176.540 177.300 0.021 0.000 1.282 328 P CA -0.710 62.425 63.100 0.058 0.000 0.788 328 P CB 0.454 32.233 31.700 0.131 0.000 1.139 329 N N 0.582 119.290 118.700 0.013 0.000 2.444 329 N HA 0.047 4.788 4.740 0.002 0.000 0.255 329 N C -0.372 175.107 175.510 -0.051 0.000 1.255 329 N CA 0.082 53.122 53.050 -0.018 0.000 0.933 329 N CB 0.047 38.528 38.487 -0.011 0.000 1.143 329 N HN 0.388 nan 8.380 nan 0.000 0.453 330 D N 1.704 122.055 120.400 -0.082 0.000 2.458 330 D HA 0.128 4.769 4.640 0.002 0.000 0.243 330 D C -1.510 174.718 176.300 -0.120 0.000 1.146 330 D CA -0.357 53.562 54.000 -0.135 0.000 0.877 330 D CB 0.407 41.136 40.800 -0.118 0.000 1.176 330 D HN 0.329 nan 8.370 nan 0.000 0.461 331 P HA 0.226 nan 4.420 nan 0.000 0.302 331 P C 0.375 177.616 177.300 -0.098 0.000 1.307 331 P CA -0.399 62.635 63.100 -0.110 0.000 0.754 331 P CB 0.701 32.321 31.700 -0.133 0.000 1.298 332 T N -1.892 112.629 114.554 -0.055 0.000 3.051 332 T HA 0.181 4.533 4.350 0.002 0.000 0.255 332 T C 0.782 175.452 174.700 -0.050 0.000 1.085 332 T CA 0.300 62.371 62.100 -0.048 0.000 1.109 332 T CB -0.044 68.808 68.868 -0.026 0.000 0.921 332 T HN 0.261 nan 8.240 nan 0.000 0.488 336 K N -0.666 119.761 120.400 0.045 0.000 2.471 336 K HA 0.486 4.808 4.320 0.002 0.000 0.252 336 K C -0.019 176.599 176.600 0.029 0.000 0.938 336 K CA -0.789 55.520 56.287 0.037 0.000 0.796 336 K CB 2.065 34.581 32.500 0.027 0.000 1.161 336 K HN 0.440 nan 8.250 nan 0.000 0.425 337 c N 1.635 120.261 118.600 0.045 0.000 2.504 337 c HA 0.033 4.604 4.570 0.002 0.000 0.279 337 c C 1.057 175.238 174.090 0.152 0.000 1.358 337 c CA 0.216 56.598 56.329 0.088 0.000 1.747 337 c CB -0.733 41.813 42.510 0.060 0.000 2.037 337 c HN 0.872 nan 8.230 nan 0.000 0.503 338 N N -0.143 118.623 118.700 0.111 0.000 2.197 338 N HA 0.161 4.902 4.740 0.002 0.000 0.228 338 N C -1.008 174.575 175.510 0.122 0.000 1.212 338 N CA 0.109 53.261 53.050 0.169 0.000 0.883 338 N CB 0.519 39.066 38.487 0.100 0.000 1.107 338 N HN 0.445 nan 8.380 nan 0.000 0.519 339 D N 0.272 120.617 120.400 -0.092 0.000 2.645 339 D HA 0.239 4.881 4.640 0.002 0.000 0.228 339 D C -2.801 173.031 176.300 -0.779 0.000 1.148 339 D CA -1.429 52.396 54.000 -0.293 0.000 0.860 339 D CB 3.011 43.703 40.800 -0.180 0.000 1.548 339 D HN -0.131 nan 8.370 nan 0.000 0.460 340 P HA 0.023 nan 4.420 nan 0.000 0.271 340 P C -0.816 176.253 177.300 -0.385 0.000 1.216 340 P CA -0.087 62.553 63.100 -0.766 0.000 0.771 340 P CB 0.370 31.796 31.700 -0.457 0.000 0.864 341 Y N 6.517 126.614 120.300 -0.337 0.000 2.393 341 Y HA 0.235 4.786 4.550 0.002 0.000 0.338 341 Y C -1.791 174.009 175.900 -0.167 0.000 1.029 341 Y CA -1.963 56.014 58.100 -0.206 0.000 1.239 341 Y CB 0.534 38.906 38.460 -0.147 0.000 1.170 341 Y HN 0.339 nan 8.280 nan 0.000 0.515 342 P HA 0.369 nan 4.420 nan 0.000 0.274 342 P C 0.099 177.271 177.300 -0.214 0.000 1.256 342 P CA 0.784 63.676 63.100 -0.347 0.000 0.795 342 P CB 1.910 33.386 31.700 -0.373 0.000 1.038 343 G N -0.102 108.629 108.800 -0.115 0.000 4.025 343 G HA2 -0.134 3.828 3.960 0.002 0.000 0.195 343 G HA3 -0.134 3.828 3.960 0.002 0.000 0.195 343 G C -0.124 174.769 174.900 -0.013 0.000 1.546 343 G CA -0.232 44.848 45.100 -0.033 0.000 1.007 343 G HN 0.785 nan 8.290 nan 0.000 0.388 344 N N 1.304 120.004 118.700 -0.001 0.000 2.321 344 N HA 0.506 5.247 4.740 0.002 0.000 0.299 344 N C -1.611 173.899 175.510 0.001 0.000 1.048 344 N CA -0.457 52.599 53.050 0.010 0.000 0.836 344 N CB 1.399 39.904 38.487 0.030 0.000 1.269 344 N HN 0.210 nan 8.380 nan 0.000 0.486 345 N N 1.350 120.058 118.700 0.014 0.000 2.335 345 N HA 0.289 5.030 4.740 0.002 0.000 0.304 345 N C -0.834 174.713 175.510 0.062 0.000 1.135 345 N CA -0.323 52.746 53.050 0.031 0.000 0.817 345 N CB 0.802 39.313 38.487 0.039 0.000 1.294 345 N HN 0.684 nan 8.380 nan 0.000 0.497 346 N N 0.336 119.095 118.700 0.098 0.000 2.705 346 N HA -0.252 4.490 4.740 0.002 0.000 0.255 346 N C -1.145 174.405 175.510 0.067 0.000 1.008 346 N CA 0.528 53.631 53.050 0.088 0.000 0.742 346 N CB -0.704 37.829 38.487 0.075 0.000 0.906 346 N HN 0.539 nan 8.380 nan 0.000 0.541 347 N N -1.019 117.724 118.700 0.072 0.000 3.348 347 N HA 0.742 5.484 4.740 0.002 0.000 0.233 347 N C -0.649 174.913 175.510 0.087 0.000 1.440 347 N CA 0.384 53.480 53.050 0.077 0.000 0.887 347 N CB 1.559 40.086 38.487 0.066 0.000 1.410 347 N HN 0.274 nan 8.380 nan 0.000 0.502 348 G N -0.789 108.071 108.800 0.099 0.000 2.325 348 G HA2 0.502 4.464 3.960 0.002 0.000 0.295 348 G HA3 0.502 4.464 3.960 0.002 0.000 0.295 348 G C -2.039 172.931 174.900 0.117 0.000 1.274 348 G CA 0.162 45.320 45.100 0.098 0.000 0.857 348 G HN 0.898 nan 8.290 nan 0.000 0.499 349 V N -0.157 119.805 119.914 0.079 0.000 3.000 349 V HA 0.673 4.794 4.120 0.002 0.000 0.300 349 V C -0.508 175.502 176.094 -0.140 0.000 1.251 349 V CA -0.851 61.485 62.300 0.060 0.000 0.972 349 V CB 1.941 33.864 31.823 0.166 0.000 1.065 349 V HN 1.039 nan 8.190 nan 0.000 0.431 350 K N 3.377 123.434 120.400 -0.571 0.000 2.401 350 K HA 0.613 4.934 4.320 0.002 0.000 0.278 350 K C 0.052 176.529 176.600 -0.205 0.000 1.018 350 K CA 0.828 56.801 56.287 -0.524 0.000 0.981 350 K CB 0.869 32.778 32.500 -0.986 0.000 0.933 350 K HN 1.015 nan 8.250 nan 0.000 0.477 351 G N 2.344 111.107 108.800 -0.062 0.000 2.870 351 G HA2 0.682 4.644 3.960 0.002 0.000 0.299 351 G HA3 0.682 4.644 3.960 0.002 0.000 0.299 351 G C -1.565 173.417 174.900 0.137 0.000 1.324 351 G CA -0.805 44.337 45.100 0.069 0.000 0.808 351 G HN 0.652 nan 8.290 nan 0.000 0.535 352 F N -1.416 118.480 119.950 -0.089 0.000 2.831 352 F HA 0.874 5.403 4.527 0.002 0.000 0.318 352 F C -0.537 175.194 175.800 -0.114 0.000 1.174 352 F CA -0.891 57.039 58.000 -0.116 0.000 0.918 352 F CB 1.527 40.429 39.000 -0.162 0.000 1.364 352 F HN 1.225 nan 8.300 nan 0.000 0.475 353 S N -0.495 115.013 115.700 -0.320 0.000 2.567 353 S HA 0.648 5.119 4.470 0.002 0.000 0.270 353 S C -2.454 172.061 174.600 -0.141 0.000 1.152 353 S CA -0.792 57.211 58.200 -0.329 0.000 0.835 353 S CB 1.366 64.461 63.200 -0.176 0.000 1.115 353 S HN 0.831 nan 8.310 nan 0.000 0.459 354 Y N 1.011 121.372 120.300 0.101 0.000 2.345 354 Y HA 0.541 5.092 4.550 0.002 0.000 0.331 354 Y C -0.439 175.554 175.900 0.155 0.000 0.959 354 Y CA -0.726 57.400 58.100 0.043 0.000 1.204 354 Y CB 1.508 39.977 38.460 0.016 0.000 1.135 354 Y HN 0.589 nan 8.280 nan 0.000 0.477 355 L N 4.340 125.765 121.223 0.338 0.000 2.272 355 L HA 0.368 4.709 4.340 0.002 0.000 0.284 355 L C -0.480 176.543 176.870 0.255 0.000 1.045 355 L CA -0.152 54.838 54.840 0.250 0.000 0.842 355 L CB 0.712 42.886 42.059 0.192 0.000 1.224 355 L HN 0.557 nan 8.230 nan 0.000 0.430 356 D N 2.749 123.272 120.400 0.205 0.000 2.849 356 D HA 0.401 5.042 4.640 0.002 0.000 0.314 356 D C 0.734 177.104 176.300 0.117 0.000 1.210 356 D CA 0.616 54.718 54.000 0.171 0.000 0.756 356 D CB 0.685 41.596 40.800 0.185 0.000 1.222 356 D HN 0.613 nan 8.370 nan 0.000 0.521 357 G N 0.226 109.081 108.800 0.091 0.000 2.591 357 G HA2 -0.373 3.589 3.960 0.002 0.000 0.298 357 G HA3 -0.373 3.589 3.960 0.002 0.000 0.298 357 G C 1.382 176.312 174.900 0.050 0.000 1.195 357 G CA 1.206 46.343 45.100 0.060 0.000 0.989 357 G HN 0.999 nan 8.290 nan 0.000 0.551 358 V N -1.271 118.668 119.914 0.041 0.000 2.809 358 V HA 0.172 4.293 4.120 0.002 0.000 0.256 358 V C 1.662 177.781 176.094 0.041 0.000 1.080 358 V CA 2.541 64.856 62.300 0.024 0.000 1.102 358 V CB -0.430 31.405 31.823 0.021 0.000 0.705 358 V HN 0.717 nan 8.190 nan 0.000 0.475 359 N N 1.372 120.124 118.700 0.086 0.000 2.878 359 N HA 0.093 4.834 4.740 0.002 0.000 0.282 359 N C -0.245 175.408 175.510 0.239 0.000 1.284 359 N CA 0.201 53.345 53.050 0.157 0.000 1.053 359 N CB -0.766 37.793 38.487 0.121 0.000 1.382 359 N HN 0.578 nan 8.380 nan 0.000 0.529 360 T N 0.437 115.086 114.554 0.157 0.000 2.771 360 T HA 0.336 4.687 4.350 0.002 0.000 0.281 360 T C -0.905 173.884 174.700 0.147 0.000 0.982 360 T CA -0.253 61.959 62.100 0.185 0.000 0.978 360 T CB 0.492 69.411 68.868 0.084 0.000 0.930 360 T HN 0.182 nan 8.240 nan 0.000 0.447 361 W N 3.194 124.581 121.300 0.145 0.000 2.739 361 W HA 0.652 5.313 4.660 0.002 0.000 0.331 361 W C -0.942 175.569 176.519 -0.015 0.000 1.049 361 W CA -0.829 56.599 57.345 0.138 0.000 1.234 361 W CB 1.148 30.825 29.460 0.362 0.000 1.404 361 W HN 0.354 nan 8.180 nan 0.000 0.477 362 L N 3.048 124.313 121.223 0.070 0.000 2.334 362 L HA 0.893 5.234 4.340 0.002 0.000 0.276 362 L C 0.629 177.305 176.870 -0.323 0.000 1.014 362 L CA -1.027 53.702 54.840 -0.185 0.000 0.815 362 L CB 1.460 43.420 42.059 -0.166 0.000 1.268 362 L HN 0.553 nan 8.230 nan 0.000 0.428 363 G N 1.735 110.155 108.800 -0.634 0.000 2.400 363 G HA2 0.842 4.803 3.960 0.002 0.000 0.333 363 G HA3 0.842 4.803 3.960 0.002 0.000 0.333 363 G C -1.040 173.522 174.900 -0.564 0.000 1.143 363 G CA -0.513 44.205 45.100 -0.638 0.000 0.914 363 G HN 0.756 nan 8.290 nan 0.000 0.480 364 R N -0.985 118.996 120.500 -0.866 0.000 2.709 364 R HA 0.572 4.913 4.340 0.002 0.000 0.270 364 R C -0.326 175.532 176.300 -0.737 0.000 1.038 364 R CA -0.889 54.853 56.100 -0.597 0.000 0.872 364 R CB 0.211 30.318 30.300 -0.322 0.000 1.259 364 R HN 0.653 nan 8.270 nan 0.000 0.473 365 T N -0.771 113.622 114.554 -0.269 0.000 2.898 365 T HA 0.271 4.623 4.350 0.002 0.000 0.301 365 T C 1.297 175.930 174.700 -0.112 0.000 1.049 365 T CA -0.642 61.411 62.100 -0.077 0.000 1.095 365 T CB 0.537 69.458 68.868 0.088 0.000 0.976 365 T HN 0.558 nan 8.240 nan 0.000 0.539 366 I N 0.926 121.460 120.570 -0.060 0.000 2.233 366 I HA -0.048 4.124 4.170 0.002 0.000 0.243 366 I C 2.000 178.100 176.117 -0.029 0.000 1.093 366 I CA 0.625 61.893 61.300 -0.054 0.000 1.380 366 I CB -0.308 37.675 38.000 -0.029 0.000 1.067 366 I HN 0.703 nan 8.210 nan 0.000 0.413 367 S N 1.314 117.013 115.700 -0.002 0.000 2.562 367 S HA 0.085 4.557 4.470 0.002 0.000 0.281 367 S C 1.069 175.680 174.600 0.018 0.000 1.333 367 S CA -0.428 57.779 58.200 0.012 0.000 1.052 367 S CB 0.597 63.819 63.200 0.037 0.000 0.884 367 S HN 0.337 nan 8.310 nan 0.000 0.506 368 I N 2.190 122.768 120.570 0.014 0.000 3.603 368 I HA 0.341 4.512 4.170 0.002 0.000 0.297 368 I C 1.458 177.596 176.117 0.034 0.000 1.269 368 I CA 0.520 61.829 61.300 0.015 0.000 1.361 368 I CB -0.201 37.801 38.000 0.004 0.000 1.063 368 I HN 0.556 nan 8.210 nan 0.000 0.448 369 A N 1.050 123.898 122.820 0.045 0.000 1.993 369 A HA 0.345 4.666 4.320 0.002 0.000 0.207 369 A C 1.301 178.936 177.584 0.085 0.000 1.224 369 A CA 0.817 52.889 52.037 0.058 0.000 0.749 369 A CB -0.218 18.813 19.000 0.051 0.000 0.884 369 A HN 0.562 nan 8.150 nan 0.000 0.467 370 S N -1.417 114.352 115.700 0.115 0.000 2.740 370 S HA 0.586 5.058 4.470 0.002 0.000 0.300 370 S C -0.579 174.143 174.600 0.202 0.000 1.147 370 S CA -0.837 57.465 58.200 0.168 0.000 0.871 370 S CB 0.897 64.244 63.200 0.245 0.000 1.173 370 S HN 0.235 nan 8.310 nan 0.000 0.510 371 R N 1.233 121.886 120.500 0.256 0.000 3.710 371 R HA 0.392 4.733 4.340 0.002 0.000 0.201 371 R C -0.291 176.242 176.300 0.389 0.000 1.641 371 R CA -0.034 56.237 56.100 0.286 0.000 1.390 371 R CB -0.119 30.334 30.300 0.254 0.000 1.341 371 R HN 0.540 nan 8.270 nan 0.000 0.728 372 S N 0.688 116.547 115.700 0.265 0.000 2.557 372 S HA 0.669 5.140 4.470 0.002 0.000 0.291 372 S C -0.067 174.583 174.600 0.084 0.000 1.116 372 S CA 0.130 58.414 58.200 0.139 0.000 0.992 372 S CB 1.472 64.668 63.200 -0.006 0.000 1.028 372 S HN 0.796 nan 8.310 nan 0.000 0.484 373 G N 2.510 111.352 108.800 0.070 0.000 2.846 373 G HA2 -0.070 3.892 3.960 0.002 0.000 0.660 373 G HA3 -0.070 3.892 3.960 0.002 0.000 0.660 373 G C -1.314 173.714 174.900 0.215 0.000 1.464 373 G CA -0.066 45.090 45.100 0.093 0.000 0.891 373 G HN 1.432 nan 8.290 nan 0.000 0.552 374 Y N 0.481 120.824 120.300 0.071 0.000 2.424 374 Y HA 0.530 5.081 4.550 0.002 0.000 0.323 374 Y C -0.331 175.617 175.900 0.079 0.000 1.174 374 Y CA -0.093 58.054 58.100 0.080 0.000 1.060 374 Y CB 1.515 40.049 38.460 0.124 0.000 1.314 374 Y HN 1.096 nan 8.280 nan 0.000 0.439 375 E N 4.962 124.953 120.200 -0.347 0.000 2.408 375 E HA 0.642 4.994 4.350 0.002 0.000 0.275 375 E C -1.727 174.745 176.600 -0.215 0.000 0.935 375 E CA -1.301 55.028 56.400 -0.120 0.000 0.775 375 E CB 2.479 32.136 29.700 -0.073 0.000 1.277 375 E HN 0.350 nan 8.360 nan 0.000 0.455 376 M N 2.211 121.820 119.600 0.015 0.000 2.311 376 M HA 0.472 4.953 4.480 0.002 0.000 0.325 376 M C -1.120 175.353 176.300 0.288 0.000 1.061 376 M CA -0.687 54.667 55.300 0.090 0.000 0.957 376 M CB 1.144 33.791 32.600 0.077 0.000 1.646 376 M HN 0.610 nan 8.290 nan 0.000 0.434 377 L N 2.397 123.721 121.223 0.168 0.000 2.385 377 L HA 0.512 4.853 4.340 0.002 0.000 0.273 377 L C -0.006 176.659 176.870 -0.342 0.000 0.990 377 L CA -0.689 54.114 54.840 -0.061 0.000 0.821 377 L CB 2.368 44.361 42.059 -0.110 0.000 1.279 377 L HN 0.621 nan 8.230 nan 0.000 0.412 378 K N 2.947 122.812 120.400 -0.892 0.000 2.316 378 K HA 0.464 4.785 4.320 0.002 0.000 0.289 378 K C -1.222 175.069 176.600 -0.514 0.000 1.070 378 K CA -0.319 55.248 56.287 -1.200 0.000 0.928 378 K CB 0.862 32.474 32.500 -1.479 0.000 1.039 378 K HN 0.400 nan 8.250 nan 0.000 0.480 379 V N 7.657 127.370 119.914 -0.335 0.000 2.327 379 V HA 0.234 4.355 4.120 0.002 0.000 0.272 379 V C -2.360 173.658 176.094 -0.128 0.000 1.019 379 V CA -2.050 60.137 62.300 -0.188 0.000 0.814 379 V CB 1.121 32.862 31.823 -0.137 0.000 1.040 379 V HN 0.815 nan 8.190 nan 0.000 0.440 380 P HA 0.118 nan 4.420 nan 0.000 0.264 380 P C 0.488 177.768 177.300 -0.034 0.000 1.193 380 P CA 0.485 63.548 63.100 -0.062 0.000 0.763 380 P CB 0.169 31.836 31.700 -0.054 0.000 0.810 381 N N 1.505 120.201 118.700 -0.007 0.000 2.735 381 N HA -0.254 4.487 4.740 0.002 0.000 0.248 381 N C 1.003 176.512 175.510 -0.001 0.000 1.083 381 N CA 0.954 54.007 53.050 0.005 0.000 0.703 381 N CB -1.331 37.157 38.487 0.003 0.000 1.005 381 N HN 0.510 nan 8.380 nan 0.000 0.550 382 A N 0.247 123.063 122.820 -0.008 0.000 1.948 382 A HA -0.148 4.173 4.320 0.002 0.000 0.220 382 A C 2.277 179.863 177.584 0.003 0.000 1.177 382 A CA 1.656 53.683 52.037 -0.016 0.000 0.636 382 A CB -0.215 18.770 19.000 -0.027 0.000 0.815 382 A HN 0.333 nan 8.150 nan 0.000 0.449 383 L N 0.161 121.397 121.223 0.021 0.000 2.083 383 L HA -0.108 4.234 4.340 0.002 0.000 0.209 383 L C 2.380 179.268 176.870 0.030 0.000 1.083 383 L CA 2.866 57.725 54.840 0.032 0.000 0.752 383 L CB -0.446 41.639 42.059 0.044 0.000 0.899 383 L HN 0.551 nan 8.230 nan 0.000 0.433 384 T N -5.347 109.220 114.554 0.022 0.000 2.985 384 T HA 0.138 4.489 4.350 0.002 0.000 0.254 384 T C 0.522 175.229 174.700 0.011 0.000 1.021 384 T CA -0.129 61.983 62.100 0.020 0.000 0.957 384 T CB -0.169 68.711 68.868 0.020 0.000 1.047 384 T HN 0.196 nan 8.240 nan 0.000 0.511 385 D N 3.206 123.607 120.400 0.003 0.000 2.412 385 D HA 0.182 4.824 4.640 0.002 0.000 0.224 385 D C 0.159 176.451 176.300 -0.013 0.000 1.093 385 D CA -0.502 53.495 54.000 -0.006 0.000 0.850 385 D CB 1.171 41.963 40.800 -0.012 0.000 1.046 385 D HN 0.272 nan 8.370 nan 0.000 0.507 386 D N 2.591 122.985 120.400 -0.009 0.000 2.338 386 D HA -0.070 4.571 4.640 0.002 0.000 0.239 386 D C 0.425 176.707 176.300 -0.029 0.000 1.095 386 D CA 0.442 54.432 54.000 -0.016 0.000 0.888 386 D CB 0.108 40.906 40.800 -0.003 0.000 0.899 386 D HN 0.358 nan 8.370 nan 0.000 0.525 387 K N -0.273 120.108 120.400 -0.031 0.000 2.517 387 K HA 0.086 4.408 4.320 0.002 0.000 0.210 387 K C -0.000 176.573 176.600 -0.045 0.000 1.166 387 K CA -0.179 56.085 56.287 -0.038 0.000 1.030 387 K CB 1.016 33.500 32.500 -0.028 0.000 0.974 387 K HN 0.100 nan 8.250 nan 0.000 0.585 388 S N 1.853 117.525 115.700 -0.046 0.000 2.552 388 S HA 0.166 4.638 4.470 0.002 0.000 0.289 388 S C 0.024 174.583 174.600 -0.069 0.000 1.304 388 S CA -0.173 57.995 58.200 -0.053 0.000 1.063 388 S CB 0.875 64.045 63.200 -0.050 0.000 0.848 388 S HN -0.031 nan 8.310 nan 0.000 0.499 389 K N 1.754 122.111 120.400 -0.072 0.000 2.433 389 K HA 0.585 4.906 4.320 0.002 0.000 0.252 389 K C -3.075 173.468 176.600 -0.095 0.000 1.015 389 K CA -2.398 53.840 56.287 -0.081 0.000 0.860 389 K CB 0.860 33.319 32.500 -0.068 0.000 1.359 389 K HN 0.302 nan 8.250 nan 0.000 0.452 390 P HA 0.069 nan 4.420 nan 0.000 0.268 390 P C 0.395 177.625 177.300 -0.117 0.000 1.205 390 P CA 0.210 63.232 63.100 -0.131 0.000 0.771 390 P CB 0.499 32.132 31.700 -0.112 0.000 0.858 391 T N -1.462 112.999 114.554 -0.154 0.000 2.985 391 T HA 0.204 4.556 4.350 0.002 0.000 0.254 391 T C 0.373 175.015 174.700 -0.097 0.000 1.021 391 T CA 0.060 62.093 62.100 -0.111 0.000 0.957 391 T CB 0.313 69.118 68.868 -0.105 0.000 1.047 391 T HN 0.468 nan 8.240 nan 0.000 0.511 395 Q N -0.193 119.868 119.800 0.436 0.000 2.280 395 Q HA 0.532 4.874 4.340 0.002 0.000 0.259 395 Q C -1.105 175.075 176.000 0.301 0.000 0.964 395 Q CA -0.520 55.523 55.803 0.400 0.000 0.844 395 Q CB 1.885 30.938 28.738 0.525 0.000 1.334 395 Q HN 0.553 nan 8.270 nan 0.000 0.423 396 T N 5.130 119.836 114.554 0.254 0.000 2.794 396 T HA 0.249 4.600 4.350 0.002 0.000 0.296 396 T C 0.989 175.865 174.700 0.293 0.000 0.949 396 T CA -0.301 61.929 62.100 0.217 0.000 1.101 396 T CB 0.444 69.409 68.868 0.163 0.000 0.905 396 T HN 0.489 nan 8.240 nan 0.000 0.516 397 I N 2.538 123.305 120.570 0.328 0.000 2.947 397 I HA 0.180 4.352 4.170 0.002 0.000 0.263 397 I C 0.549 176.890 176.117 0.372 0.000 1.130 397 I CA 0.687 62.248 61.300 0.435 0.000 1.448 397 I CB -0.171 38.143 38.000 0.523 0.000 1.222 397 I HN 0.291 nan 8.210 nan 0.000 0.453 398 V N 3.007 123.099 119.914 0.297 0.000 2.638 398 V HA 0.382 4.504 4.120 0.002 0.000 0.306 398 V C 0.036 176.203 176.094 0.121 0.000 1.052 398 V CA -0.752 61.669 62.300 0.202 0.000 0.885 398 V CB 2.661 34.623 31.823 0.232 0.000 0.999 398 V HN 0.043 nan 8.190 nan 0.000 0.424 399 L N 2.877 124.128 121.223 0.046 0.000 2.461 399 L HA 0.208 4.550 4.340 0.002 0.000 0.272 399 L C 1.801 178.652 176.870 -0.032 0.000 1.197 399 L CA 0.246 55.088 54.840 0.004 0.000 0.836 399 L CB 0.134 42.175 42.059 -0.030 0.000 1.105 399 L HN 0.787 nan 8.230 nan 0.000 0.477 400 N N 0.272 118.947 118.700 -0.042 0.000 2.513 400 N HA -0.151 4.591 4.740 0.002 0.000 0.187 400 N C 1.116 176.522 175.510 -0.173 0.000 1.056 400 N CA 1.232 54.235 53.050 -0.079 0.000 0.907 400 N CB 0.271 38.722 38.487 -0.059 0.000 0.954 400 N HN 0.833 nan 8.380 nan 0.000 0.445 401 T N -3.125 111.321 114.554 -0.179 0.000 3.129 401 T HA 0.135 4.487 4.350 0.002 0.000 0.251 401 T C 0.014 174.479 174.700 -0.391 0.000 1.117 401 T CA 0.033 61.978 62.100 -0.259 0.000 1.034 401 T CB 0.261 69.028 68.868 -0.167 0.000 0.968 401 T HN -0.013 nan 8.240 nan 0.000 0.526 402 D N 0.316 120.512 120.400 -0.339 0.000 2.342 402 D HA 0.310 4.951 4.640 0.002 0.000 0.243 402 D C -0.832 175.274 176.300 -0.324 0.000 1.019 402 D CA -0.670 53.125 54.000 -0.342 0.000 0.864 402 D CB 1.417 42.150 40.800 -0.112 0.000 1.315 402 D HN 0.351 nan 8.370 nan 0.000 0.468 403 W N 1.274 122.605 121.300 0.050 0.000 2.190 403 W HA 0.221 4.882 4.660 0.002 0.000 0.330 403 W C 1.367 177.940 176.519 0.090 0.000 1.299 403 W CA -0.276 57.105 57.345 0.060 0.000 1.215 403 W CB 0.706 30.188 29.460 0.036 0.000 1.147 403 W HN 0.293 nan 8.180 nan 0.000 0.563 404 S N 1.527 117.459 115.700 0.388 0.000 4.094 404 S HA 0.980 5.452 4.470 0.002 0.000 0.236 404 S C 0.198 174.957 174.600 0.265 0.000 1.056 404 S CA -0.140 58.233 58.200 0.288 0.000 1.564 404 S CB 1.373 64.764 63.200 0.318 0.000 1.097 404 S HN 1.001 nan 8.310 nan 0.000 0.734 405 G N -0.626 108.330 108.800 0.259 0.000 2.491 405 G HA2 0.303 4.264 3.960 0.002 0.000 0.183 405 G HA3 0.303 4.264 3.960 0.002 0.000 0.183 405 G C -1.667 173.452 174.900 0.366 0.000 1.221 405 G CA -0.716 44.546 45.100 0.270 0.000 0.996 405 G HN 0.561 nan 8.290 nan 0.000 0.474 406 Y N 1.541 121.922 120.300 0.136 0.000 2.511 406 Y HA 0.496 5.047 4.550 0.002 0.000 0.347 406 Y C 1.280 177.204 175.900 0.040 0.000 1.257 406 Y CA -0.230 57.952 58.100 0.136 0.000 1.469 406 Y CB 0.888 39.467 38.460 0.199 0.000 1.353 406 Y HN 0.885 nan 8.280 nan 0.000 0.617 407 S N -0.337 115.387 115.700 0.040 0.000 2.537 407 S HA 0.911 5.382 4.470 0.002 0.000 0.270 407 S C -0.547 173.795 174.600 -0.431 0.000 1.142 407 S CA -0.375 57.611 58.200 -0.358 0.000 0.870 407 S CB 2.057 65.163 63.200 -0.155 0.000 1.112 407 S HN 1.040 nan 8.310 nan 0.000 0.466 408 G N 0.561 108.697 108.800 -1.107 0.000 2.649 408 G HA2 0.703 4.664 3.960 0.002 0.000 0.290 408 G HA3 0.703 4.664 3.960 0.002 0.000 0.290 408 G C -0.985 173.543 174.900 -0.619 0.000 1.426 408 G CA -0.359 44.420 45.100 -0.535 0.000 0.794 408 G HN 1.417 nan 8.290 nan 0.000 0.483 409 S N -1.083 114.500 115.700 -0.195 0.000 2.638 409 S HA 0.912 5.383 4.470 0.002 0.000 0.298 409 S C -0.708 174.070 174.600 0.297 0.000 1.111 409 S CA -0.639 57.522 58.200 -0.066 0.000 1.027 409 S CB 1.559 64.701 63.200 -0.095 0.000 1.064 409 S HN 1.863 nan 8.310 nan 0.000 0.525 410 F N -1.617 118.405 119.950 0.121 0.000 2.744 410 F HA 0.772 5.301 4.527 0.002 0.000 0.311 410 F C -1.699 174.157 175.800 0.093 0.000 1.144 410 F CA -1.279 56.793 58.000 0.120 0.000 0.938 410 F CB 1.094 40.168 39.000 0.122 0.000 1.292 410 F HN 0.618 nan 8.300 nan 0.000 0.444 411 M N 2.245 121.837 119.600 -0.013 0.000 2.520 411 M HA 0.274 4.755 4.480 0.002 0.000 0.283 411 M C -1.151 175.152 176.300 0.005 0.000 1.237 411 M CA -0.670 54.514 55.300 -0.193 0.000 0.885 411 M CB 2.318 34.814 32.600 -0.174 0.000 1.727 411 M HN 0.888 nan 8.290 nan 0.000 0.468 412 D N 1.072 121.468 120.400 -0.007 0.000 2.312 412 D HA 0.839 5.481 4.640 0.002 0.000 0.290 412 D C -0.657 175.622 176.300 -0.035 0.000 1.170 412 D CA 0.511 54.596 54.000 0.141 0.000 1.085 412 D CB 0.953 41.866 40.800 0.189 0.000 1.154 412 D HN 0.897 nan 8.370 nan 0.000 0.535 413 A N -0.955 121.988 122.820 0.205 0.000 2.446 413 A HA 0.216 4.537 4.320 0.002 0.000 0.663 413 A C -0.795 176.863 177.584 0.123 0.000 0.232 413 A CA -0.373 51.760 52.037 0.160 0.000 0.157 413 A CB -1.135 17.944 19.000 0.131 0.000 3.812 413 A HN 0.367 nan 8.150 nan 0.000 0.534 414 E N -0.097 120.160 120.200 0.095 0.000 2.371 414 E HA 0.654 5.006 4.350 0.002 0.000 0.257 414 E C 0.724 177.350 176.600 0.044 0.000 1.134 414 E CA 1.046 57.486 56.400 0.066 0.000 0.919 414 E CB 0.771 30.503 29.700 0.053 0.000 1.025 414 E HN 2.414 nan 8.360 nan 0.000 0.438 415 G N 0.403 109.215 108.800 0.020 0.000 2.357 415 G HA2 -0.107 3.855 3.960 0.002 0.000 0.643 415 G HA3 -0.107 3.855 3.960 0.002 0.000 0.643 415 G C 0.024 174.903 174.900 -0.035 0.000 1.358 415 G CA -0.415 44.682 45.100 -0.005 0.000 0.986 415 G HN 0.410 nan 8.290 nan 0.000 0.620 416 E N -1.081 119.087 120.200 -0.053 0.000 2.371 416 E HA 0.124 4.476 4.350 0.002 0.000 0.194 416 E C 1.045 177.561 176.600 -0.139 0.000 1.012 416 E CA 1.466 57.817 56.400 -0.081 0.000 0.860 416 E CB -0.152 29.512 29.700 -0.061 0.000 0.811 416 E HN 1.009 nan 8.360 nan 0.000 0.502 417 c N -1.294 117.221 118.600 -0.140 0.000 3.236 417 c HA 0.617 5.188 4.570 0.002 0.000 0.312 417 c C -0.613 173.397 174.090 -0.133 0.000 1.374 417 c CA -1.440 54.769 56.329 -0.200 0.000 1.455 417 c CB 0.075 42.509 42.510 -0.128 0.000 1.834 417 c HN 0.036 nan 8.230 nan 0.000 0.460 418 Y N 0.854 121.117 120.300 -0.062 0.000 2.336 418 Y HA 0.520 5.072 4.550 0.002 0.000 0.335 418 Y C 0.984 176.799 175.900 -0.141 0.000 1.046 418 Y CA -0.228 57.822 58.100 -0.083 0.000 1.198 418 Y CB 0.458 38.890 38.460 -0.048 0.000 1.182 418 Y HN 0.706 nan 8.280 nan 0.000 0.502 419 R N 2.793 123.297 120.500 0.006 0.000 2.216 419 R HA 0.606 4.947 4.340 0.002 0.000 0.332 419 R C -0.364 175.774 176.300 -0.269 0.000 1.056 419 R CA -0.526 55.483 56.100 -0.153 0.000 0.901 419 R CB 0.258 30.484 30.300 -0.122 0.000 1.039 419 R HN 0.834 nan 8.270 nan 0.000 0.456 420 A N 4.082 126.650 122.820 -0.419 0.000 2.511 420 A HA 0.293 4.614 4.320 0.002 0.000 0.242 420 A C -0.375 176.990 177.584 -0.364 0.000 1.069 420 A CA -0.260 51.404 52.037 -0.622 0.000 0.763 420 A CB 0.156 18.398 19.000 -1.265 0.000 1.001 420 A HN 0.886 nan 8.150 nan 0.000 0.498 421 c N 0.452 118.821 118.600 -0.386 0.000 3.213 421 c HA 0.951 5.522 4.570 0.002 0.000 0.319 421 c C -0.695 173.205 174.090 -0.317 0.000 1.386 421 c CA -0.477 55.525 56.329 -0.545 0.000 1.494 421 c CB 1.201 42.800 42.510 -1.518 0.000 1.905 421 c HN 1.091 nan 8.230 nan 0.000 0.456 422 F N -0.438 119.283 119.950 -0.381 0.000 2.741 422 F HA 0.744 5.273 4.527 0.002 0.000 0.311 422 F C -1.448 174.327 175.800 -0.043 0.000 1.149 422 F CA -1.222 56.543 58.000 -0.392 0.000 0.930 422 F CB 0.738 39.106 39.000 -1.053 0.000 1.312 422 F HN 0.733 nan 8.300 nan 0.000 0.450 423 Y N -0.132 120.195 120.300 0.046 0.000 2.576 423 Y HA 0.904 5.456 4.550 0.002 0.000 0.346 423 Y C -2.002 173.903 175.900 0.008 0.000 1.018 423 Y CA -1.988 56.082 58.100 -0.049 0.000 1.050 423 Y CB 1.721 40.121 38.460 -0.100 0.000 1.280 423 Y HN 0.608 nan 8.280 nan 0.000 0.474 424 V N 1.996 121.926 119.914 0.025 0.000 2.577 424 V HA 0.315 4.437 4.120 0.002 0.000 0.303 424 V C -0.611 175.560 176.094 0.129 0.000 1.042 424 V CA -0.997 61.260 62.300 -0.072 0.000 0.872 424 V CB 1.530 33.235 31.823 -0.196 0.000 0.998 424 V HN 0.895 nan 8.190 nan 0.000 0.423 425 E N 4.507 124.822 120.200 0.192 0.000 2.259 425 E HA 0.471 4.823 4.350 0.002 0.000 0.281 425 E C -1.311 175.374 176.600 0.143 0.000 1.027 425 E CA -0.546 55.966 56.400 0.187 0.000 0.838 425 E CB 1.055 30.890 29.700 0.225 0.000 1.066 425 E HN 0.649 nan 8.360 nan 0.000 0.401 426 L N 6.837 128.138 121.223 0.129 0.000 2.335 426 L HA 0.395 4.737 4.340 0.002 0.000 0.268 426 L C -0.231 176.723 176.870 0.140 0.000 1.037 426 L CA -0.559 54.375 54.840 0.157 0.000 0.895 426 L CB 0.576 42.730 42.059 0.159 0.000 1.266 426 L HN 0.519 nan 8.230 nan 0.000 0.439 427 I N 3.621 124.267 120.570 0.127 0.000 2.496 427 I HA 0.258 4.430 4.170 0.002 0.000 0.285 427 I C 0.262 176.391 176.117 0.019 0.000 1.080 427 I CA -0.129 61.201 61.300 0.049 0.000 1.404 427 I CB 0.341 38.327 38.000 -0.023 0.000 1.403 427 I HN 0.496 nan 8.210 nan 0.000 0.539 428 R N 4.028 124.541 120.500 0.023 0.000 2.807 428 R HA 0.784 5.125 4.340 0.002 0.000 0.276 428 R C 0.167 176.391 176.300 -0.126 0.000 0.979 428 R CA -0.438 55.651 56.100 -0.020 0.000 0.928 428 R CB 1.513 31.909 30.300 0.159 0.000 1.191 428 R HN 0.898 nan 8.270 nan 0.000 0.471 429 G N 1.553 110.088 108.800 -0.441 0.000 2.484 429 G HA2 -0.239 3.723 3.960 0.002 0.000 0.225 429 G HA3 -0.239 3.723 3.960 0.002 0.000 0.225 429 G C -0.849 173.740 174.900 -0.518 0.000 1.250 429 G CA -0.676 44.007 45.100 -0.696 0.000 0.926 429 G HN 0.496 nan 8.290 nan 0.000 0.581 430 R N 1.582 121.819 120.500 -0.438 0.000 2.594 430 R HA 0.343 4.685 4.340 0.002 0.000 0.272 430 R C -1.166 174.955 176.300 -0.297 0.000 1.074 430 R CA -0.748 55.135 56.100 -0.361 0.000 1.105 430 R CB 1.077 31.189 30.300 -0.313 0.000 1.008 430 R HN 0.440 nan 8.270 nan 0.000 0.472 431 P HA -0.011 nan 4.420 nan 0.000 0.234 431 P C 0.220 177.319 177.300 -0.336 0.000 1.175 431 P CA 0.667 63.599 63.100 -0.282 0.000 0.801 431 P CB 0.447 32.025 31.700 -0.203 0.000 0.891 432 K N 1.048 121.169 120.400 -0.465 0.000 2.025 432 K HA -0.044 4.278 4.320 0.002 0.000 0.207 432 K C 0.868 177.218 176.600 -0.416 0.000 1.049 432 K CA 1.068 57.030 56.287 -0.542 0.000 0.933 432 K CB -0.451 31.335 32.500 -1.191 0.000 0.714 432 K HN 0.401 nan 8.250 nan 0.000 0.438 433 E N 2.085 121.998 120.200 -0.477 0.000 2.079 433 E HA 0.018 4.369 4.350 0.002 0.000 0.252 433 E C -0.512 175.834 176.600 -0.422 0.000 0.992 433 E CA -0.247 55.936 56.400 -0.362 0.000 0.829 433 E CB 0.466 29.952 29.700 -0.357 0.000 1.158 433 E HN 0.198 nan 8.360 nan 0.000 0.435 434 D N 1.486 121.667 120.400 -0.365 0.000 2.336 434 D HA -0.069 4.572 4.640 0.002 0.000 0.229 434 D C 0.967 176.973 176.300 -0.490 0.000 1.061 434 D CA 0.116 53.852 54.000 -0.440 0.000 0.875 434 D CB 0.199 40.773 40.800 -0.377 0.000 0.904 434 D HN 0.120 nan 8.370 nan 0.000 0.525 435 K N 0.054 120.218 120.400 -0.393 0.000 2.288 435 K HA 0.025 4.346 4.320 0.002 0.000 0.201 435 K C 0.776 177.131 176.600 -0.409 0.000 1.048 435 K CA 0.580 56.668 56.287 -0.330 0.000 0.956 435 K CB 0.303 32.689 32.500 -0.189 0.000 0.746 435 K HN 0.265 nan 8.250 nan 0.000 0.461 436 V N -3.394 116.183 119.914 -0.561 0.000 2.966 436 V HA 0.263 4.385 4.120 0.002 0.000 0.317 436 V C -0.019 175.638 176.094 -0.727 0.000 1.070 436 V CA -0.942 60.982 62.300 -0.625 0.000 1.008 436 V CB 1.044 32.173 31.823 -1.156 0.000 1.070 436 V HN 0.183 nan 8.190 nan 0.000 0.457 437 W N 0.556 121.657 121.300 -0.332 0.000 3.278 437 W HA 0.369 5.030 4.660 0.002 0.000 0.308 437 W C 0.697 177.165 176.519 -0.086 0.000 1.253 437 W CA -0.538 56.709 57.345 -0.162 0.000 1.759 437 W CB 0.278 29.721 29.460 -0.028 0.000 1.093 437 W HN 0.783 nan 8.180 nan 0.000 0.648 438 W N -0.392 120.939 121.300 0.052 0.000 2.594 438 W HA 0.791 5.452 4.660 0.002 0.000 0.365 438 W C -0.765 175.693 176.519 -0.101 0.000 1.196 438 W CA -0.993 56.345 57.345 -0.011 0.000 1.258 438 W CB 0.251 29.702 29.460 -0.015 0.000 1.405 438 W HN -0.523 nan 8.180 nan 0.000 0.640 439 T N 1.396 116.186 114.554 0.394 0.000 3.011 439 T HA 0.391 4.742 4.350 0.002 0.000 0.303 439 T C -0.950 173.907 174.700 0.261 0.000 0.997 439 T CA -0.215 62.018 62.100 0.221 0.000 1.007 439 T CB 1.977 70.853 68.868 0.013 0.000 1.017 439 T HN 0.529 nan 8.240 nan 0.000 0.443 440 S N 2.249 118.111 115.700 0.271 0.000 2.880 440 S HA 0.827 5.299 4.470 0.002 0.000 0.308 440 S C -1.778 172.860 174.600 0.064 0.000 1.195 440 S CA -0.737 57.510 58.200 0.078 0.000 0.866 440 S CB 1.305 64.441 63.200 -0.107 0.000 1.254 440 S HN 0.932 nan 8.310 nan 0.000 0.571 441 N N -0.372 118.339 118.700 0.018 0.000 3.046 441 N HA 0.429 5.170 4.740 0.002 0.000 0.243 441 N C -1.421 174.113 175.510 0.040 0.000 1.452 441 N CA -0.373 52.704 53.050 0.045 0.000 0.882 441 N CB 1.223 39.735 38.487 0.041 0.000 1.425 441 N HN 0.705 nan 8.380 nan 0.000 0.517 442 S N -0.416 115.328 115.700 0.072 0.000 2.810 442 S HA 0.829 5.301 4.470 0.002 0.000 0.315 442 S C -0.523 174.119 174.600 0.069 0.000 1.138 442 S CA -0.742 57.508 58.200 0.083 0.000 0.889 442 S CB 1.307 64.571 63.200 0.106 0.000 1.236 442 S HN 0.564 nan 8.310 nan 0.000 0.548 443 I N 0.448 121.046 120.570 0.048 0.000 2.730 443 I HA 0.689 4.860 4.170 0.002 0.000 0.298 443 I C -1.265 174.852 176.117 -0.001 0.000 1.089 443 I CA -1.139 60.130 61.300 -0.052 0.000 1.041 443 I CB 2.179 39.931 38.000 -0.413 0.000 1.235 443 I HN 0.539 nan 8.210 nan 0.000 0.423 444 V N 4.289 124.201 119.914 -0.003 0.000 2.789 444 V HA 0.799 4.921 4.120 0.002 0.000 0.311 444 V C -0.779 175.275 176.094 -0.067 0.000 1.073 444 V CA -0.049 62.240 62.300 -0.019 0.000 0.921 444 V CB 2.258 34.086 31.823 0.009 0.000 1.009 444 V HN 0.896 nan 8.190 nan 0.000 0.426 445 S N 7.666 123.318 115.700 -0.081 0.000 2.549 445 S HA 0.861 5.333 4.470 0.002 0.000 0.280 445 S C -1.048 173.411 174.600 -0.234 0.000 1.109 445 S CA -0.919 57.221 58.200 -0.099 0.000 0.905 445 S CB 2.058 65.420 63.200 0.270 0.000 1.081 445 S HN 0.741 nan 8.310 nan 0.000 0.477 446 M N 1.376 120.614 119.600 -0.604 0.000 2.619 446 M HA 0.606 5.088 4.480 0.002 0.000 0.297 446 M C -1.110 174.898 176.300 -0.487 0.000 1.229 446 M CA -0.432 54.554 55.300 -0.523 0.000 0.860 446 M CB 1.567 33.811 32.600 -0.593 0.000 1.741 446 M HN 0.798 nan 8.290 nan 0.000 0.462 447 c N 0.420 118.747 118.600 -0.456 0.000 2.971 447 c HA 0.723 5.295 4.570 0.002 0.000 0.310 447 c C 0.538 174.378 174.090 -0.417 0.000 1.285 447 c CA -0.656 55.417 56.329 -0.426 0.000 1.593 447 c CB 2.219 44.411 42.510 -0.530 0.000 2.076 447 c HN 1.005 nan 8.230 nan 0.000 0.472 448 S N 1.066 116.460 115.700 -0.511 0.000 2.592 448 S HA 0.604 5.076 4.470 0.002 0.000 0.271 448 S C -0.349 173.987 174.600 -0.440 0.000 1.326 448 S CA -0.265 57.402 58.200 -0.889 0.000 1.024 448 S CB 1.228 63.698 63.200 -1.216 0.000 0.921 448 S HN 0.936 nan 8.310 nan 0.000 0.527 449 S N -0.041 115.390 115.700 -0.447 0.000 2.548 449 S HA 0.538 5.009 4.470 0.002 0.000 0.286 449 S C 0.777 175.175 174.600 -0.335 0.000 1.098 449 S CA -0.161 57.908 58.200 -0.217 0.000 0.930 449 S CB 1.391 64.553 63.200 -0.064 0.000 1.070 449 S HN 1.008 nan 8.310 nan 0.000 0.480 450 T N 0.132 114.539 114.554 -0.246 0.000 3.129 450 T HA 0.262 4.613 4.350 0.002 0.000 0.251 450 T C 0.311 174.832 174.700 -0.298 0.000 1.117 450 T CA 0.068 62.007 62.100 -0.269 0.000 1.034 450 T CB -0.125 68.642 68.868 -0.168 0.000 0.968 450 T HN 0.485 nan 8.240 nan 0.000 0.526 451 E N 0.945 121.008 120.200 -0.228 0.000 2.280 451 E HA 0.399 4.750 4.350 0.002 0.000 0.261 451 E C -1.066 175.394 176.600 -0.234 0.000 1.088 451 E CA -0.981 55.341 56.400 -0.130 0.000 0.915 451 E CB 0.666 30.355 29.700 -0.019 0.000 1.141 451 E HN 0.364 nan 8.360 nan 0.000 0.433 452 F N 1.354 121.321 119.950 0.028 0.000 2.359 452 F HA 0.251 4.779 4.527 0.002 0.000 0.355 452 F C 0.296 176.136 175.800 0.068 0.000 1.132 452 F CA -0.364 57.670 58.000 0.056 0.000 1.246 452 F CB 0.062 39.101 39.000 0.065 0.000 1.569 452 F HN -0.004 nan 8.300 nan 0.000 0.561 453 L N 1.732 123.060 121.223 0.174 0.000 2.436 453 L HA 0.428 4.769 4.340 0.002 0.000 0.265 453 L C 1.197 178.184 176.870 0.196 0.000 1.168 453 L CA -0.623 54.316 54.840 0.165 0.000 0.815 453 L CB 0.411 42.560 42.059 0.150 0.000 1.109 453 L HN 0.544 nan 8.230 nan 0.000 0.462 454 G N 1.284 110.180 108.800 0.160 0.000 2.544 454 G HA2 0.304 4.265 3.960 0.002 0.000 0.242 454 G HA3 0.304 4.265 3.960 0.002 0.000 0.242 454 G C -0.505 174.517 174.900 0.204 0.000 1.247 454 G CA -0.450 44.741 45.100 0.151 0.000 0.840 454 G HN 0.727 nan 8.290 nan 0.000 0.578 455 Q N -0.638 119.293 119.800 0.219 0.000 2.248 455 Q HA 0.629 4.970 4.340 0.002 0.000 0.263 455 Q C -1.419 174.771 176.000 0.316 0.000 1.007 455 Q CA -1.034 54.951 55.803 0.303 0.000 0.877 455 Q CB 2.285 31.205 28.738 0.303 0.000 1.315 455 Q HN 0.502 nan 8.270 nan 0.000 0.454 456 W N 1.961 123.338 121.300 0.129 0.000 3.062 456 W HA 0.319 4.980 4.660 0.002 0.000 0.336 456 W C -1.698 174.700 176.519 -0.202 0.000 1.224 456 W CA -0.996 56.282 57.345 -0.112 0.000 1.159 456 W CB 1.804 31.073 29.460 -0.318 0.000 1.454 456 W HN 0.881 nan 8.180 nan 0.000 0.569 457 D N 0.541 120.752 120.400 -0.314 0.000 2.217 457 D HA 0.311 4.953 4.640 0.002 0.000 0.248 457 D C -1.162 174.669 176.300 -0.781 0.000 1.008 457 D CA -0.327 53.489 54.000 -0.307 0.000 0.914 457 D CB 1.344 42.056 40.800 -0.147 0.000 1.182 457 D HN 0.374 nan 8.370 nan 0.000 0.451 458 W N 1.662 122.912 121.300 -0.084 0.000 2.433 458 W HA 0.292 4.954 4.660 0.003 0.000 0.288 458 W C -2.201 174.290 176.519 -0.046 0.000 0.986 458 W CA -1.563 55.723 57.345 -0.099 0.000 1.680 458 W CB 1.207 30.668 29.460 0.002 0.000 1.615 458 W HN 0.190 nan 8.180 nan 0.000 0.416 459 P HA 0.069 nan 4.420 nan 0.000 0.277 459 P C 0.546 177.910 177.300 0.107 0.000 1.271 459 P CA 0.039 63.176 63.100 0.062 0.000 0.795 459 P CB 1.688 33.375 31.700 -0.022 0.000 1.101 460 D N -0.235 120.238 120.400 0.122 0.000 2.097 460 D HA -0.070 4.571 4.640 0.002 0.000 0.195 460 D C 1.417 177.792 176.300 0.124 0.000 0.989 460 D CA 2.461 56.545 54.000 0.139 0.000 0.827 460 D CB -0.615 40.281 40.800 0.161 0.000 0.966 460 D HN 0.665 nan 8.370 nan 0.000 0.456 461 G N -0.839 108.022 108.800 0.101 0.000 2.194 461 G HA2 -0.150 3.811 3.960 0.002 0.000 0.236 461 G HA3 -0.150 3.811 3.960 0.002 0.000 0.236 461 G C 0.372 175.347 174.900 0.124 0.000 0.987 461 G CA 0.371 45.524 45.100 0.089 0.000 0.635 461 G HN 0.755 nan 8.290 nan 0.000 0.520 462 A N 0.312 123.232 122.820 0.165 0.000 2.327 462 A HA 0.680 5.001 4.320 0.002 0.000 0.283 462 A C 0.378 178.068 177.584 0.178 0.000 1.127 462 A CA -0.069 52.111 52.037 0.238 0.000 0.810 462 A CB 0.490 19.686 19.000 0.328 0.000 1.066 462 A HN 0.308 nan 8.150 nan 0.000 0.492 463 K N 3.191 123.676 120.400 0.141 0.000 2.292 463 K HA 0.267 4.588 4.320 0.002 0.000 0.270 463 K C 0.434 177.097 176.600 0.105 0.000 1.062 463 K CA -0.576 55.669 56.287 -0.069 0.000 0.916 463 K CB 1.117 33.284 32.500 -0.555 0.000 1.166 463 K HN 0.651 nan 8.250 nan 0.000 0.458 464 I N 2.156 122.810 120.570 0.140 0.000 2.315 464 I HA -0.278 3.893 4.170 0.002 0.000 0.251 464 I C 1.956 178.224 176.117 0.253 0.000 1.125 464 I CA 1.710 63.136 61.300 0.211 0.000 1.392 464 I CB -0.089 37.920 38.000 0.015 0.000 1.065 464 I HN 0.769 nan 8.210 nan 0.000 0.424 465 E N -0.141 120.112 120.200 0.089 0.000 2.209 465 E HA -0.242 4.109 4.350 0.002 0.000 0.196 465 E C 1.767 178.511 176.600 0.241 0.000 0.993 465 E CA 0.930 57.388 56.400 0.096 0.000 0.819 465 E CB 0.028 29.726 29.700 -0.003 0.000 0.745 465 E HN 0.455 nan 8.360 nan 0.000 0.477 466 Y N -1.358 119.046 120.300 0.173 0.000 2.571 466 Y HA -0.089 4.462 4.550 0.002 0.000 0.294 466 Y C 1.129 177.000 175.900 -0.047 0.000 1.141 466 Y CA 0.438 58.557 58.100 0.032 0.000 1.308 466 Y CB -0.190 38.235 38.460 -0.058 0.000 1.002 466 Y HN 0.066 nan 8.280 nan 0.000 0.551 467 F N -0.942 119.172 119.950 0.273 0.000 2.664 467 F HA 0.207 4.735 4.527 0.002 0.000 0.303 467 F C 0.678 176.598 175.800 0.199 0.000 1.092 467 F CA -0.225 57.932 58.000 0.262 0.000 1.305 467 F CB -0.127 39.110 39.000 0.394 0.000 1.054 467 F HN -0.225 nan 8.300 nan 0.000 0.565 468 L N 0.000 121.394 121.223 0.285 0.000 2.949 468 L HA 0.000 4.341 4.340 0.002 0.000 0.249 468 L CA 0.000 54.956 54.840 0.194 0.000 0.813 468 L CB 0.000 42.142 42.059 0.139 0.000 0.961 468 L HN 0.000 nan 8.230 nan 0.000 0.502