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 2wss_1_M DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLAE 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 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.779 174.700 0.131 0.000 1.109 9 T CA 0.000 62.113 62.100 0.022 0.000 1.349 9 T CB 0.000 68.810 68.868 -0.097 0.000 0.612 10 T N 0.071 114.760 114.554 0.225 0.000 2.912 10 T HA 0.799 5.149 4.350 0.000 0.000 0.299 10 T C -0.182 174.707 174.700 0.314 0.000 1.052 10 T CA -0.118 62.143 62.100 0.268 0.000 0.996 10 T CB 1.560 70.498 68.868 0.116 0.000 1.070 10 T HN 1.185 nan 8.240 nan 0.000 0.465 11 G N 2.091 110.904 108.800 0.021 0.000 2.605 11 G HA2 0.760 4.720 3.960 0.000 0.000 0.296 11 G HA3 0.760 4.720 3.960 0.000 0.000 0.296 11 G C -1.582 173.089 174.900 -0.382 0.000 1.304 11 G CA -0.986 43.756 45.100 -0.597 0.000 0.941 11 G HN 0.745 nan 8.290 nan 0.000 0.475 12 R N 0.270 120.548 120.500 -0.370 0.000 2.534 12 R HA 0.482 4.822 4.340 0.000 0.000 0.301 12 R C -0.564 175.610 176.300 -0.209 0.000 0.961 12 R CA -0.908 55.063 56.100 -0.216 0.000 0.871 12 R CB 2.414 32.635 30.300 -0.133 0.000 1.170 12 R HN 0.360 nan 8.270 nan 0.000 0.446 13 I N 3.455 123.937 120.570 -0.147 0.000 2.581 13 I HA -0.069 4.101 4.170 0.000 0.000 0.285 13 I C 0.873 176.941 176.117 -0.081 0.000 1.129 13 I CA 0.089 61.325 61.300 -0.108 0.000 1.397 13 I CB 0.907 38.863 38.000 -0.074 0.000 1.399 13 I HN 0.578 nan 8.210 nan 0.000 0.537 14 V N 4.195 124.065 119.914 -0.074 0.000 3.604 14 V HA 0.431 4.551 4.120 0.000 0.000 0.277 14 V C 0.534 176.605 176.094 -0.038 0.000 1.399 14 V CA -0.070 62.197 62.300 -0.054 0.000 1.034 14 V CB 0.109 31.899 31.823 -0.055 0.000 0.824 14 V HN 0.751 nan 8.190 nan 0.000 0.439 15 A N 0.016 122.814 122.820 -0.036 0.000 2.456 15 A HA 0.754 5.074 4.320 0.000 0.000 0.288 15 A C -1.160 176.411 177.584 -0.022 0.000 1.042 15 A CA -0.262 51.760 52.037 -0.025 0.000 0.738 15 A CB 2.055 21.043 19.000 -0.019 0.000 1.266 15 A HN 0.116 nan 8.150 nan 0.000 0.407 16 V N 4.367 124.270 119.914 -0.019 0.000 2.383 16 V HA 0.255 4.375 4.120 0.000 0.000 0.264 16 V C -0.866 175.221 176.094 -0.013 0.000 1.001 16 V CA -0.058 62.233 62.300 -0.016 0.000 0.828 16 V CB 0.382 32.194 31.823 -0.018 0.000 1.069 16 V HN 0.705 nan 8.190 nan 0.000 0.451 17 I N 2.806 123.369 120.570 -0.011 0.000 2.301 17 I HA 0.719 4.889 4.170 0.000 0.000 0.292 17 I C 1.428 177.539 176.117 -0.010 0.000 1.046 17 I CA 0.729 62.023 61.300 -0.010 0.000 1.282 17 I CB 0.491 38.486 38.000 -0.009 0.000 1.409 17 I HN 0.566 nan 8.210 nan 0.000 0.484 18 G N 5.201 113.995 108.800 -0.010 0.000 4.230 18 G HA2 -0.333 3.627 3.960 0.000 0.000 0.340 18 G HA3 -0.333 3.627 3.960 0.000 0.000 0.340 18 G C 0.647 175.542 174.900 -0.009 0.000 1.315 18 G CA 0.724 45.818 45.100 -0.010 0.000 1.033 18 G HN 1.391 nan 8.290 nan 0.000 0.741 19 A N -1.523 121.292 122.820 -0.009 0.000 2.515 19 A HA 0.662 4.982 4.320 0.000 0.000 0.253 19 A C -0.250 177.331 177.584 -0.005 0.000 0.863 19 A CA 0.988 53.021 52.037 -0.007 0.000 1.124 19 A CB 0.771 19.766 19.000 -0.007 0.000 1.214 19 A HN 1.477 nan 8.150 nan 0.000 0.470 20 V N 1.182 121.092 119.914 -0.005 0.000 2.407 20 V HA 0.459 4.579 4.120 0.000 0.000 0.291 20 V C -0.780 175.312 176.094 -0.003 0.000 1.018 20 V CA -0.438 61.861 62.300 -0.002 0.000 0.842 20 V CB 1.802 33.623 31.823 -0.003 0.000 0.996 20 V HN 0.206 nan 8.190 nan 0.000 0.426 21 V N 4.330 124.244 119.914 -0.000 0.000 2.417 21 V HA 0.498 4.618 4.120 0.000 0.000 0.291 21 V C -0.510 175.581 176.094 -0.005 0.000 1.024 21 V CA -0.796 61.500 62.300 -0.007 0.000 0.861 21 V CB 1.947 33.764 31.823 -0.009 0.000 0.985 21 V HN 0.738 nan 8.190 nan 0.000 0.436 22 D N 3.374 123.765 120.400 -0.015 0.000 2.317 22 D HA 0.490 5.130 4.640 0.000 0.000 0.234 22 D C -0.559 175.713 176.300 -0.048 0.000 1.112 22 D CA 0.101 54.091 54.000 -0.016 0.000 0.840 22 D CB 2.007 42.799 40.800 -0.013 0.000 1.078 22 D HN 0.250 nan 8.370 nan 0.000 0.486 23 V N 2.943 122.821 119.914 -0.061 0.000 2.495 23 V HA 0.266 4.386 4.120 0.000 0.000 0.298 23 V C -0.144 175.820 176.094 -0.217 0.000 1.031 23 V CA -0.753 61.445 62.300 -0.171 0.000 0.871 23 V CB 2.059 33.739 31.823 -0.238 0.000 0.988 23 V HN 0.388 nan 8.190 nan 0.000 0.432 24 Q N 3.534 123.167 119.800 -0.278 0.000 2.347 24 Q HA 0.543 4.883 4.340 0.000 0.000 0.262 24 Q C -1.443 174.367 176.000 -0.317 0.000 0.980 24 Q CA -0.299 55.385 55.803 -0.198 0.000 0.867 24 Q CB 1.011 29.683 28.738 -0.111 0.000 1.242 24 Q HN 0.625 nan 8.270 nan 0.000 0.453 25 F N 1.928 121.855 119.950 -0.039 0.000 2.399 25 F HA 0.232 4.759 4.527 0.000 0.000 0.328 25 F C 0.616 176.395 175.800 -0.035 0.000 1.084 25 F CA -0.217 57.761 58.000 -0.037 0.000 1.053 25 F CB 1.568 40.539 39.000 -0.048 0.000 1.209 25 F HN 0.657 nan 8.300 nan 0.000 0.502 26 D N -0.633 119.881 120.400 0.189 0.000 2.338 26 D HA 0.019 4.659 4.640 0.000 0.000 0.208 26 D C 0.903 177.246 176.300 0.072 0.000 0.997 26 D CA 0.606 54.659 54.000 0.089 0.000 0.880 26 D CB 0.494 41.330 40.800 0.060 0.000 0.980 26 D HN 0.561 nan 8.370 nan 0.000 0.509 27 E N -0.466 119.784 120.200 0.083 0.000 2.879 27 E HA 0.172 4.522 4.350 0.000 0.000 0.206 27 E C 0.750 177.343 176.600 -0.012 0.000 0.969 27 E CA 0.019 56.437 56.400 0.030 0.000 1.496 27 E CB 0.845 30.558 29.700 0.022 0.000 1.454 27 E HN 0.039 nan 8.360 nan 0.000 0.750 28 G N 2.433 111.202 108.800 -0.052 0.000 2.603 28 G HA2 0.457 4.417 3.960 0.000 0.000 0.324 28 G HA3 0.457 4.417 3.960 0.000 0.000 0.324 28 G C -0.879 173.829 174.900 -0.321 0.000 1.178 28 G CA -0.437 44.575 45.100 -0.148 0.000 1.023 28 G HN -0.123 nan 8.290 nan 0.000 0.482 29 L N 4.718 125.795 121.223 -0.244 0.000 2.418 29 L HA 0.366 4.706 4.340 0.000 0.000 0.274 29 L C -1.867 174.832 176.870 -0.286 0.000 1.135 29 L CA -2.037 52.616 54.840 -0.312 0.000 0.870 29 L CB 0.770 42.656 42.059 -0.289 0.000 1.154 29 L HN 0.253 nan 8.230 nan 0.000 0.462 30 P HA 0.268 nan 4.420 nan 0.000 0.276 30 P C -2.601 174.745 177.300 0.078 0.000 1.235 30 P CA -1.423 61.575 63.100 -0.169 0.000 0.772 30 P CB 0.100 31.692 31.700 -0.179 0.000 0.871 31 P HA 0.054 nan 4.420 nan 0.000 0.269 31 P C 0.219 177.543 177.300 0.040 0.000 1.209 31 P CA 0.037 63.190 63.100 0.088 0.000 0.776 31 P CB 0.209 31.920 31.700 0.017 0.000 0.876 32 I N 2.762 123.296 120.570 -0.059 0.000 2.880 32 I HA -0.137 4.033 4.170 0.000 0.000 0.296 32 I C 1.590 177.651 176.117 -0.094 0.000 1.220 32 I CA 0.537 61.783 61.300 -0.090 0.000 1.435 32 I CB -0.611 37.288 38.000 -0.169 0.000 1.339 32 I HN 0.589 nan 8.210 nan 0.000 0.583 33 L N 1.066 122.224 121.223 -0.109 0.000 2.794 33 L HA -0.233 4.107 4.340 0.000 0.000 0.442 33 L C 0.472 177.305 176.870 -0.061 0.000 0.710 33 L CA 0.591 55.314 54.840 -0.194 0.000 2.990 33 L CB -1.081 40.794 42.059 -0.307 0.000 0.803 33 L HN 0.714 nan 8.230 nan 0.000 0.711 34 N N 1.903 120.594 118.700 -0.014 0.000 2.374 34 N HA 0.337 5.077 4.740 0.000 0.000 0.269 34 N C 0.307 175.842 175.510 0.043 0.000 1.310 34 N CA 1.097 54.158 53.050 0.019 0.000 0.877 34 N CB 0.695 39.187 38.487 0.009 0.000 1.096 34 N HN 0.348 nan 8.380 nan 0.000 0.484 35 A N 3.756 126.608 122.820 0.053 0.000 2.450 35 A HA 0.331 4.652 4.320 0.000 0.000 0.255 35 A C 0.120 177.742 177.584 0.063 0.000 1.096 35 A CA -0.168 51.904 52.037 0.059 0.000 0.778 35 A CB 0.079 19.110 19.000 0.051 0.000 1.031 35 A HN 0.657 nan 8.150 nan 0.000 0.494 36 L N 1.642 122.914 121.223 0.081 0.000 2.313 36 L HA 0.553 4.893 4.340 0.000 0.000 0.268 36 L C -0.076 176.844 176.870 0.084 0.000 1.010 36 L CA -0.824 54.083 54.840 0.111 0.000 0.814 36 L CB 1.587 43.754 42.059 0.179 0.000 1.304 36 L HN 0.602 nan 8.230 nan 0.000 0.441 37 E N 1.545 121.800 120.200 0.091 0.000 2.155 37 E HA 0.287 4.637 4.350 0.000 0.000 0.264 37 E C -1.102 175.527 176.600 0.048 0.000 0.886 37 E CA -0.538 55.898 56.400 0.059 0.000 0.752 37 E CB 2.496 32.227 29.700 0.052 0.000 1.133 37 E HN 0.155 nan 8.360 nan 0.000 0.414 38 V N 4.427 124.358 119.914 0.029 0.000 2.427 38 V HA 0.029 4.149 4.120 0.000 0.000 0.268 38 V C 0.369 176.470 176.094 0.011 0.000 1.046 38 V CA -0.431 61.876 62.300 0.013 0.000 0.970 38 V CB 0.829 32.655 31.823 0.005 0.000 1.001 38 V HN 0.421 nan 8.190 nan 0.000 0.476 39 Q N 3.483 123.289 119.800 0.009 0.000 2.307 39 Q HA 0.479 4.819 4.340 0.000 0.000 0.259 39 Q C 0.945 176.946 176.000 0.001 0.000 0.998 39 Q CA 0.636 56.444 55.803 0.008 0.000 0.923 39 Q CB 1.205 29.949 28.738 0.010 0.000 1.196 39 Q HN 1.100 nan 8.270 nan 0.000 0.416 40 G N 2.862 111.663 108.800 0.002 0.000 2.157 40 G HA2 -0.125 3.835 3.960 0.000 0.000 0.114 40 G HA3 -0.125 3.835 3.960 0.000 0.000 0.114 40 G C -0.204 174.695 174.900 -0.001 0.000 1.041 40 G CA -0.692 44.408 45.100 -0.000 0.000 0.714 40 G HN 0.340 nan 8.290 nan 0.000 0.492 41 R N 0.209 120.709 120.500 0.000 0.000 2.604 41 R HA 0.470 4.810 4.340 0.000 0.000 0.287 41 R C 0.616 176.916 176.300 -0.000 0.000 0.970 41 R CA -0.830 55.270 56.100 -0.001 0.000 0.946 41 R CB 1.375 31.675 30.300 -0.000 0.000 1.127 41 R HN 0.297 nan 8.270 nan 0.000 0.473 42 E N 0.568 120.767 120.200 -0.001 0.000 2.511 42 E HA -0.021 4.329 4.350 0.000 0.000 0.196 42 E C -0.611 175.988 176.600 -0.002 0.000 1.066 42 E CA 0.642 57.041 56.400 -0.002 0.000 0.871 42 E CB 0.449 30.148 29.700 -0.002 0.000 0.863 42 E HN 0.576 nan 8.360 nan 0.000 0.520 43 T N -1.453 113.100 114.554 -0.002 0.000 2.982 43 T HA 0.267 4.617 4.350 0.000 0.000 0.321 43 T C -0.554 174.146 174.700 -0.001 0.000 1.229 43 T CA -0.911 61.187 62.100 -0.003 0.000 1.044 43 T CB 1.844 70.710 68.868 -0.004 0.000 1.184 43 T HN -0.021 nan 8.240 nan 0.000 0.477 44 R N 1.092 121.591 120.500 -0.002 0.000 2.538 44 R HA 0.368 4.708 4.340 0.000 0.000 0.282 44 R C -1.139 175.161 176.300 0.001 0.000 1.009 44 R CA -0.320 55.780 56.100 0.000 0.000 1.063 44 R CB 0.101 30.399 30.300 -0.002 0.000 0.945 44 R HN 0.574 nan 8.270 nan 0.000 0.414 45 L N 5.746 126.972 121.223 0.005 0.000 2.342 45 L HA 0.339 4.679 4.340 0.000 0.000 0.276 45 L C -1.101 175.777 176.870 0.013 0.000 0.997 45 L CA -0.548 54.296 54.840 0.007 0.000 0.838 45 L CB 1.941 44.002 42.059 0.005 0.000 1.224 45 L HN 0.341 nan 8.230 nan 0.000 0.416 46 V N 4.966 124.889 119.914 0.015 0.000 2.713 46 V HA 0.503 4.624 4.120 0.000 0.000 0.307 46 V C -0.131 175.983 176.094 0.032 0.000 1.052 46 V CA -0.753 61.562 62.300 0.025 0.000 0.967 46 V CB 1.844 33.680 31.823 0.022 0.000 1.019 46 V HN 0.487 nan 8.190 nan 0.000 0.459 47 L N 2.414 123.664 121.223 0.046 0.000 2.454 47 L HA 0.451 4.791 4.340 0.000 0.000 0.258 47 L C 0.166 177.074 176.870 0.063 0.000 1.025 47 L CA -0.195 54.675 54.840 0.050 0.000 0.901 47 L CB 1.382 43.471 42.059 0.051 0.000 1.210 47 L HN 0.757 nan 8.230 nan 0.000 0.457 48 E N 2.505 122.743 120.200 0.062 0.000 2.498 48 E HA 0.105 4.455 4.350 0.000 0.000 0.252 48 E C -0.338 176.293 176.600 0.052 0.000 1.025 48 E CA -0.351 56.090 56.400 0.067 0.000 0.938 48 E CB 1.056 30.812 29.700 0.094 0.000 0.947 48 E HN 0.285 nan 8.360 nan 0.000 0.478 49 V N 4.135 124.081 119.914 0.054 0.000 2.763 49 V HA 0.044 4.164 4.120 0.000 0.000 0.306 49 V C 1.008 177.115 176.094 0.022 0.000 1.059 49 V CA 1.207 63.545 62.300 0.065 0.000 1.138 49 V CB 1.159 33.038 31.823 0.093 0.000 0.940 49 V HN 0.891 nan 8.190 nan 0.000 0.489 50 A N 3.677 126.516 122.820 0.032 0.000 2.140 50 A HA 0.388 4.708 4.320 0.000 0.000 0.199 50 A C 0.402 177.980 177.584 -0.009 0.000 1.416 50 A CA 0.180 52.216 52.037 -0.001 0.000 1.018 50 A CB 0.451 19.454 19.000 0.005 0.000 1.117 50 A HN 0.882 nan 8.150 nan 0.000 0.480 51 Q N -1.319 118.503 119.800 0.036 0.000 2.633 51 Q HA 0.404 4.744 4.340 0.000 0.000 0.289 51 Q C -1.613 174.495 176.000 0.181 0.000 0.940 51 Q CA -0.789 55.027 55.803 0.022 0.000 0.785 51 Q CB 0.785 29.530 28.738 0.012 0.000 1.467 51 Q HN 0.482 nan 8.270 nan 0.000 0.401 52 H N 1.336 120.415 119.070 0.014 0.000 2.690 52 H HA 0.276 4.832 4.556 0.000 0.000 0.280 52 H C 0.513 175.852 175.328 0.018 0.000 1.138 52 H CA -0.537 55.524 56.048 0.022 0.000 1.241 52 H CB 0.790 30.564 29.762 0.018 0.000 1.394 52 H HN 0.443 nan 8.280 nan 0.000 0.489 53 L N 2.277 123.579 121.223 0.132 0.000 2.456 53 L HA 0.106 4.446 4.340 0.000 0.000 0.224 53 L C 1.373 178.280 176.870 0.061 0.000 1.148 53 L CA 0.571 55.455 54.840 0.073 0.000 0.825 53 L CB -0.461 41.627 42.059 0.048 0.000 0.937 53 L HN 0.849 nan 8.230 nan 0.000 0.450 54 G N -0.022 108.819 108.800 0.068 0.000 2.500 54 G HA2 -0.197 3.763 3.960 0.000 0.000 0.209 54 G HA3 -0.197 3.763 3.960 0.000 0.000 0.209 54 G C -0.134 174.775 174.900 0.015 0.000 1.283 54 G CA -0.423 44.701 45.100 0.041 0.000 0.960 54 G HN 0.230 nan 8.290 nan 0.000 0.528 55 E N -0.258 119.948 120.200 0.010 0.000 2.038 55 E HA -0.189 4.161 4.350 0.000 0.000 0.181 55 E C 0.860 177.460 176.600 -0.000 0.000 1.383 55 E CA 1.046 57.448 56.400 0.004 0.000 0.677 55 E CB -1.450 28.253 29.700 0.004 0.000 1.051 55 E HN 1.763 nan 8.360 nan 0.000 0.317 56 S N -0.989 114.705 115.700 -0.011 0.000 3.559 56 S HA -0.211 4.260 4.470 0.000 0.000 0.369 56 S C -0.001 174.611 174.600 0.020 0.000 0.987 56 S CA 1.375 59.572 58.200 -0.005 0.000 1.187 56 S CB -1.003 62.210 63.200 0.021 0.000 0.914 56 S HN 0.469 nan 8.310 nan 0.000 0.480 57 T N 0.587 115.142 114.554 0.003 0.000 2.893 57 T HA 0.675 5.026 4.350 0.000 0.000 0.293 57 T C -0.066 174.661 174.700 0.044 0.000 1.027 57 T CA -0.480 61.631 62.100 0.018 0.000 0.988 57 T CB 2.093 70.964 68.868 0.004 0.000 1.043 57 T HN 0.753 nan 8.240 nan 0.000 0.461 58 V N 0.630 120.592 119.914 0.081 0.000 2.577 58 V HA 0.732 4.852 4.120 0.000 0.000 0.303 58 V C -0.304 175.849 176.094 0.097 0.000 1.042 58 V CA -1.251 61.131 62.300 0.136 0.000 0.872 58 V CB 1.647 33.602 31.823 0.220 0.000 0.998 58 V HN 0.901 nan 8.190 nan 0.000 0.423 59 R N 3.089 123.642 120.500 0.088 0.000 2.490 59 R HA 0.764 5.105 4.340 0.000 0.000 0.278 59 R C 0.004 176.338 176.300 0.057 0.000 1.069 59 R CA 0.692 56.824 56.100 0.054 0.000 1.080 59 R CB 1.251 31.575 30.300 0.039 0.000 1.030 59 R HN 1.205 nan 8.270 nan 0.000 0.491 60 T N 0.969 115.547 114.554 0.040 0.000 2.853 60 T HA 0.458 4.808 4.350 0.000 0.000 0.311 60 T C -0.658 174.057 174.700 0.026 0.000 1.307 60 T CA -0.902 61.222 62.100 0.040 0.000 1.019 60 T CB 0.971 69.872 68.868 0.055 0.000 1.264 60 T HN 0.354 nan 8.240 nan 0.000 0.497 61 I N 2.004 122.590 120.570 0.027 0.000 2.392 61 I HA 0.650 4.820 4.170 0.000 0.000 0.295 61 I C 0.733 176.865 176.117 0.025 0.000 0.985 61 I CA -0.819 60.494 61.300 0.021 0.000 1.221 61 I CB 1.532 39.545 38.000 0.022 0.000 1.366 61 I HN 0.976 nan 8.210 nan 0.000 0.467 62 A N 6.768 129.597 122.820 0.016 0.000 2.328 62 A HA 0.503 4.823 4.320 0.000 0.000 0.284 62 A C 0.661 178.254 177.584 0.016 0.000 1.160 62 A CA -0.481 51.565 52.037 0.015 0.000 0.818 62 A CB 0.359 19.363 19.000 0.007 0.000 1.087 62 A HN 0.724 nan 8.150 nan 0.000 0.504 63 M N 1.318 120.929 119.600 0.018 0.000 2.581 63 M HA 0.192 4.673 4.480 0.000 0.000 0.224 63 M C -0.134 176.171 176.300 0.008 0.000 1.171 63 M CA 0.601 55.910 55.300 0.015 0.000 0.993 63 M CB -1.683 30.927 32.600 0.016 0.000 1.685 63 M HN 0.871 nan 8.290 nan 0.000 0.479 64 D N -1.653 118.750 120.400 0.006 0.000 2.738 64 D HA 0.472 5.112 4.640 0.000 0.000 0.308 64 D C -0.425 175.875 176.300 0.000 0.000 1.311 64 D CA -0.390 53.611 54.000 0.002 0.000 0.799 64 D CB 0.936 41.736 40.800 0.000 0.000 1.332 64 D HN 0.139 nan 8.370 nan 0.000 0.441 65 G N -0.835 107.964 108.800 -0.002 0.000 2.398 65 G HA2 0.361 4.322 3.960 0.000 0.000 0.246 65 G HA3 0.361 4.322 3.960 0.000 0.000 0.246 65 G C 0.891 175.789 174.900 -0.004 0.000 1.289 65 G CA 0.435 45.533 45.100 -0.003 0.000 0.869 65 G HN 0.453 nan 8.290 nan 0.000 0.543 66 T N -0.478 114.073 114.554 -0.005 0.000 3.188 66 T HA 0.080 4.430 4.350 0.000 0.000 0.250 66 T C 0.828 175.524 174.700 -0.007 0.000 1.077 66 T CA -0.003 62.094 62.100 -0.006 0.000 0.967 66 T CB -0.326 68.538 68.868 -0.007 0.000 1.006 66 T HN 0.681 nan 8.240 nan 0.000 0.552 67 E N 1.106 121.302 120.200 -0.007 0.000 2.752 67 E HA 0.264 4.614 4.350 0.000 0.000 0.241 67 E C 1.133 177.729 176.600 -0.007 0.000 1.016 67 E CA 0.682 57.078 56.400 -0.007 0.000 0.952 67 E CB -0.256 29.440 29.700 -0.006 0.000 0.921 67 E HN 0.495 nan 8.360 nan 0.000 0.515 68 G N 3.404 112.199 108.800 -0.008 0.000 2.436 68 G HA2 -0.258 3.702 3.960 0.000 0.000 0.204 68 G HA3 -0.258 3.702 3.960 0.000 0.000 0.204 68 G C 0.445 175.339 174.900 -0.010 0.000 1.026 68 G CA -0.165 44.930 45.100 -0.008 0.000 0.658 68 G HN 0.472 nan 8.290 nan 0.000 0.499 69 L N 1.012 122.228 121.223 -0.012 0.000 2.535 69 L HA 0.308 4.648 4.340 0.000 0.000 0.301 69 L C 0.494 177.354 176.870 -0.017 0.000 1.275 69 L CA 0.635 55.466 54.840 -0.015 0.000 0.843 69 L CB 0.227 42.275 42.059 -0.017 0.000 1.094 69 L HN 0.166 nan 8.230 nan 0.000 0.532 70 V N 1.502 121.404 119.914 -0.021 0.000 2.851 70 V HA 0.271 4.391 4.120 0.000 0.000 0.307 70 V C -0.021 176.056 176.094 -0.027 0.000 1.129 70 V CA -0.921 61.366 62.300 -0.021 0.000 0.932 70 V CB 1.915 33.727 31.823 -0.018 0.000 1.024 70 V HN 0.634 nan 8.190 nan 0.000 0.426 71 R N 2.457 122.941 120.500 -0.027 0.000 2.638 71 R HA 0.297 4.638 4.340 0.000 0.000 0.351 71 R C 1.286 177.564 176.300 -0.036 0.000 0.871 71 R CA 1.392 57.472 56.100 -0.032 0.000 1.091 71 R CB -0.395 29.888 30.300 -0.027 0.000 0.900 71 R HN 1.245 nan 8.270 nan 0.000 0.405 72 G N 2.053 110.824 108.800 -0.047 0.000 2.284 72 G HA2 -0.272 3.688 3.960 0.000 0.000 0.201 72 G HA3 -0.272 3.688 3.960 0.000 0.000 0.201 72 G C 0.205 175.074 174.900 -0.052 0.000 0.998 72 G CA -0.180 44.890 45.100 -0.050 0.000 0.651 72 G HN 0.583 nan 8.290 nan 0.000 0.489 73 Q N 1.094 120.866 119.800 -0.046 0.000 2.379 73 Q HA 0.309 4.649 4.340 0.000 0.000 0.320 73 Q C 0.146 176.114 176.000 -0.053 0.000 1.153 73 Q CA 0.826 56.604 55.803 -0.041 0.000 0.993 73 Q CB 0.241 28.959 28.738 -0.034 0.000 1.265 73 Q HN 0.472 nan 8.270 nan 0.000 0.423 74 K N 1.667 122.045 120.400 -0.037 0.000 2.276 74 K HA 0.387 4.707 4.320 0.000 0.000 0.285 74 K C -1.258 175.325 176.600 -0.029 0.000 1.062 74 K CA -0.447 55.819 56.287 -0.034 0.000 0.918 74 K CB 1.346 33.838 32.500 -0.012 0.000 1.055 74 K HN 0.210 nan 8.250 nan 0.000 0.477 75 V N 4.858 124.743 119.914 -0.048 0.000 2.588 75 V HA 0.382 4.502 4.120 0.000 0.000 0.304 75 V C -0.685 175.471 176.094 0.105 0.000 1.042 75 V CA -0.905 61.388 62.300 -0.011 0.000 0.877 75 V CB 1.577 33.343 31.823 -0.095 0.000 0.996 75 V HN 0.630 nan 8.190 nan 0.000 0.425 76 L N 3.181 124.495 121.223 0.151 0.000 2.325 76 L HA 0.471 4.811 4.340 0.000 0.000 0.281 76 L C -0.152 176.830 176.870 0.187 0.000 1.004 76 L CA -0.647 54.305 54.840 0.185 0.000 0.823 76 L CB 1.790 43.908 42.059 0.099 0.000 1.236 76 L HN 0.608 nan 8.230 nan 0.000 0.415 77 D N 1.941 122.440 120.400 0.165 0.000 2.422 77 D HA -0.091 4.549 4.640 0.000 0.000 0.263 77 D C 1.339 177.642 176.300 0.005 0.000 1.334 77 D CA 0.253 54.252 54.000 -0.002 0.000 1.105 77 D CB 0.756 41.401 40.800 -0.257 0.000 1.107 77 D HN 0.510 nan 8.370 nan 0.000 0.522 78 S N 2.936 118.657 115.700 0.034 0.000 2.626 78 S HA -0.061 4.409 4.470 0.000 0.000 0.245 78 S C 1.783 176.391 174.600 0.013 0.000 0.973 78 S CA 1.064 59.280 58.200 0.028 0.000 0.959 78 S CB -0.708 62.513 63.200 0.035 0.000 0.762 78 S HN 0.787 nan 8.310 nan 0.000 0.539 79 G N -0.202 108.591 108.800 -0.011 0.000 2.353 79 G HA2 -0.120 3.840 3.960 0.000 0.000 0.258 79 G HA3 -0.120 3.840 3.960 0.000 0.000 0.258 79 G C 0.238 175.136 174.900 -0.003 0.000 1.013 79 G CA 0.208 45.297 45.100 -0.017 0.000 0.622 79 G HN 1.829 nan 8.290 nan 0.000 0.535 80 A N -0.757 122.071 122.820 0.013 0.000 2.605 80 A HA 0.780 5.100 4.320 0.000 0.000 0.294 80 A C -2.818 174.790 177.584 0.039 0.000 1.062 80 A CA -0.486 51.566 52.037 0.025 0.000 0.682 80 A CB 0.905 19.925 19.000 0.033 0.000 1.278 80 A HN 0.203 nan 8.150 nan 0.000 0.410 81 P HA -0.088 nan 4.420 nan 0.000 0.270 81 P C 0.064 177.412 177.300 0.079 0.000 1.167 81 P CA 0.603 63.762 63.100 0.099 0.000 0.759 81 P CB 0.124 31.905 31.700 0.136 0.000 0.777 82 I N 2.410 123.035 120.570 0.092 0.000 2.996 82 I HA -0.174 3.996 4.170 0.000 0.000 0.311 82 I C 1.312 177.414 176.117 -0.025 0.000 1.219 82 I CA 1.234 62.546 61.300 0.020 0.000 1.452 82 I CB -0.037 37.967 38.000 0.006 0.000 1.319 82 I HN 0.284 nan 8.210 nan 0.000 0.564 83 R N 6.622 127.071 120.500 -0.086 0.000 2.686 83 R HA 0.711 5.051 4.340 0.000 0.000 0.286 83 R C -0.823 175.276 176.300 -0.335 0.000 0.969 83 R CA -0.753 55.257 56.100 -0.151 0.000 0.898 83 R CB 2.341 32.587 30.300 -0.090 0.000 1.183 83 R HN 0.566 nan 8.270 nan 0.000 0.456 84 I N -1.712 118.644 120.570 -0.358 0.000 3.002 84 I HA 0.553 4.723 4.170 0.000 0.000 0.310 84 I C -2.392 173.440 176.117 -0.475 0.000 1.087 84 I CA -3.324 57.724 61.300 -0.420 0.000 1.017 84 I CB 2.498 40.375 38.000 -0.204 0.000 1.226 84 I HN 0.311 nan 8.210 nan 0.000 0.443 85 P HA -0.004 nan 4.420 nan 0.000 0.235 85 P C 0.125 177.445 177.300 0.033 0.000 1.670 85 P CA 0.177 63.294 63.100 0.028 0.000 1.017 85 P CB -0.637 31.076 31.700 0.022 0.000 1.945 86 V N 0.633 120.557 119.914 0.016 0.000 2.843 86 V HA 0.663 4.783 4.120 0.000 0.000 0.305 86 V C 0.481 176.381 176.094 -0.323 0.000 1.065 86 V CA 0.961 63.181 62.300 -0.133 0.000 1.116 86 V CB 0.099 31.825 31.823 -0.162 0.000 0.968 86 V HN 0.626 nan 8.190 nan 0.000 0.487 87 G N 4.437 112.984 108.800 -0.421 0.000 2.339 87 G HA2 0.117 4.077 3.960 0.000 0.000 0.381 87 G HA3 0.117 4.077 3.960 0.000 0.000 0.381 87 G C -2.767 172.150 174.900 0.029 0.000 1.400 87 G CA -0.137 44.696 45.100 -0.445 0.000 1.002 87 G HN 0.530 nan 8.290 nan 0.000 0.633 88 P HA 0.049 nan 4.420 nan 0.000 0.223 88 P C 1.247 178.556 177.300 0.016 0.000 1.151 88 P CA 1.373 64.400 63.100 -0.122 0.000 0.787 88 P CB 0.153 31.760 31.700 -0.155 0.000 0.788 89 E N -0.405 119.813 120.200 0.029 0.000 2.365 89 E HA -0.010 4.340 4.350 0.000 0.000 0.188 89 E C 0.730 177.368 176.600 0.064 0.000 1.102 89 E CA 0.827 57.251 56.400 0.040 0.000 0.927 89 E CB -0.940 28.775 29.700 0.026 0.000 1.073 89 E HN 0.325 nan 8.360 nan 0.000 0.467 90 T N -1.821 112.792 114.554 0.100 0.000 3.040 90 T HA 0.137 4.487 4.350 0.000 0.000 0.252 90 T C 1.214 175.962 174.700 0.079 0.000 1.064 90 T CA -0.363 61.786 62.100 0.082 0.000 1.110 90 T CB -0.276 68.636 68.868 0.073 0.000 0.921 90 T HN 0.066 nan 8.240 nan 0.000 0.480 91 L N 1.721 123.008 121.223 0.108 0.000 2.558 91 L HA 0.243 4.583 4.340 0.000 0.000 0.301 91 L C 2.039 178.961 176.870 0.086 0.000 1.267 91 L CA 0.955 55.857 54.840 0.104 0.000 0.854 91 L CB -0.531 41.602 42.059 0.123 0.000 1.103 91 L HN 0.560 nan 8.230 nan 0.000 0.522 92 G N 0.777 109.630 108.800 0.087 0.000 2.230 92 G HA2 -0.297 3.663 3.960 0.000 0.000 0.270 92 G HA3 -0.297 3.663 3.960 0.000 0.000 0.270 92 G C 0.464 175.436 174.900 0.119 0.000 0.987 92 G CA 0.374 45.520 45.100 0.076 0.000 0.664 92 G HN 0.516 nan 8.290 nan 0.000 0.539 93 R N -0.210 120.348 120.500 0.097 0.000 2.393 93 R HA 0.540 4.880 4.340 0.000 0.000 0.310 93 R C 0.238 176.561 176.300 0.038 0.000 0.968 93 R CA -1.028 55.119 56.100 0.078 0.000 0.867 93 R CB 0.967 31.297 30.300 0.050 0.000 1.124 93 R HN 0.249 nan 8.270 nan 0.000 0.450 94 I N 4.319 124.872 120.570 -0.027 0.000 2.294 94 I HA 0.110 4.280 4.170 0.000 0.000 0.295 94 I C 1.201 177.268 176.117 -0.082 0.000 1.098 94 I CA 0.081 61.301 61.300 -0.133 0.000 1.277 94 I CB 0.480 38.266 38.000 -0.356 0.000 1.434 94 I HN 0.388 nan 8.210 nan 0.000 0.498 95 M N 6.065 125.647 119.600 -0.031 0.000 1.791 95 M HA 0.276 4.756 4.480 0.000 0.000 0.161 95 M C 0.268 176.564 176.300 -0.006 0.000 1.144 95 M CA 0.285 55.574 55.300 -0.019 0.000 0.949 95 M CB 0.712 33.306 32.600 -0.011 0.000 1.011 95 M HN 0.766 nan 8.290 nan 0.000 0.508 96 N N -3.275 115.422 118.700 -0.005 0.000 3.261 96 N HA 0.139 4.880 4.740 0.000 0.000 0.248 96 N C 0.113 175.617 175.510 -0.010 0.000 1.498 96 N CA -0.741 52.315 53.050 0.010 0.000 0.884 96 N CB 0.840 39.328 38.487 0.001 0.000 1.428 96 N HN 0.264 nan 8.380 nan 0.000 0.517 97 V N 0.089 120.002 119.914 -0.003 0.000 2.295 97 V HA -0.333 3.787 4.120 0.000 0.000 0.262 97 V C 1.839 177.910 176.094 -0.038 0.000 1.098 97 V CA 2.757 65.047 62.300 -0.016 0.000 1.095 97 V CB -1.227 30.593 31.823 -0.005 0.000 0.704 97 V HN 0.750 nan 8.190 nan 0.000 0.454 98 I N -3.764 116.780 120.570 -0.044 0.000 4.147 98 I HA 0.668 4.838 4.170 0.000 0.000 0.329 98 I C 1.293 177.349 176.117 -0.102 0.000 1.424 98 I CA 0.712 61.972 61.300 -0.066 0.000 1.127 98 I CB 0.757 38.729 38.000 -0.046 0.000 1.128 98 I HN 0.380 nan 8.210 nan 0.000 0.417 99 G N 1.715 110.458 108.800 -0.095 0.000 2.493 99 G HA2 -0.227 3.733 3.960 0.000 0.000 0.206 99 G HA3 -0.227 3.733 3.960 0.000 0.000 0.206 99 G C 0.058 174.912 174.900 -0.077 0.000 1.109 99 G CA -0.233 44.794 45.100 -0.122 0.000 0.689 99 G HN 0.500 nan 8.290 nan 0.000 0.516 100 E N 2.887 123.049 120.200 -0.063 0.000 2.900 100 E HA 0.228 4.578 4.350 0.000 0.000 0.259 100 E C -2.255 174.325 176.600 -0.033 0.000 0.918 100 E CA -0.298 56.079 56.400 -0.039 0.000 0.960 100 E CB 0.468 30.149 29.700 -0.031 0.000 0.908 100 E HN 0.288 nan 8.360 nan 0.000 0.511 101 P HA 0.074 nan 4.420 nan 0.000 0.275 101 P C -0.071 177.203 177.300 -0.042 0.000 1.228 101 P CA 0.095 63.178 63.100 -0.029 0.000 0.786 101 P CB 0.459 32.151 31.700 -0.013 0.000 0.927 102 I N -1.181 119.347 120.570 -0.069 0.000 2.891 102 I HA 0.278 4.448 4.170 0.000 0.000 0.327 102 I C -0.476 175.556 176.117 -0.141 0.000 1.479 102 I CA -0.362 60.885 61.300 -0.089 0.000 0.856 102 I CB 0.577 38.525 38.000 -0.087 0.000 1.750 102 I HN 0.091 nan 8.210 nan 0.000 0.575 103 D N 0.294 120.624 120.400 -0.118 0.000 2.433 103 D HA 0.079 4.719 4.640 0.000 0.000 0.211 103 D C -0.021 176.254 176.300 -0.041 0.000 1.114 103 D CA -0.188 53.738 54.000 -0.123 0.000 0.837 103 D CB 0.171 40.925 40.800 -0.077 0.000 0.984 103 D HN 0.467 nan 8.370 nan 0.000 0.505 104 E N 0.358 120.537 120.200 -0.035 0.000 3.117 104 E HA -0.204 4.146 4.350 0.000 0.000 0.156 104 E C -0.349 176.253 176.600 0.003 0.000 1.699 104 E CA 0.175 56.566 56.400 -0.014 0.000 0.728 104 E CB -0.963 28.730 29.700 -0.012 0.000 1.091 104 E HN 0.347 nan 8.360 nan 0.000 0.369 105 R N 0.611 121.113 120.500 0.005 0.000 2.493 105 R HA 0.230 4.570 4.340 0.000 0.000 0.404 105 R C 0.270 176.577 176.300 0.013 0.000 0.834 105 R CA 0.020 56.128 56.100 0.014 0.000 1.056 105 R CB 1.298 31.613 30.300 0.025 0.000 1.620 105 R HN 0.529 nan 8.270 nan 0.000 0.570 106 G N 2.886 111.691 108.800 0.009 0.000 3.222 106 G HA2 -0.219 3.741 3.960 0.000 0.000 0.685 106 G HA3 -0.219 3.741 3.960 0.000 0.000 0.685 106 G C -2.147 172.764 174.900 0.017 0.000 1.498 106 G CA -1.104 44.003 45.100 0.011 0.000 1.195 106 G HN -0.004 nan 8.290 nan 0.000 0.602 107 P HA -0.110 nan 4.420 nan 0.000 0.268 107 P C 0.805 178.129 177.300 0.039 0.000 1.134 107 P CA 0.273 63.393 63.100 0.033 0.000 0.749 107 P CB 0.243 31.967 31.700 0.040 0.000 0.731 108 I N 3.444 124.044 120.570 0.050 0.000 2.533 108 I HA -0.018 4.152 4.170 0.000 0.000 0.284 108 I C 1.051 177.217 176.117 0.082 0.000 1.109 108 I CA 0.217 61.553 61.300 0.060 0.000 1.412 108 I CB 0.114 38.152 38.000 0.063 0.000 1.396 108 I HN 0.276 nan 8.210 nan 0.000 0.543 109 K N 4.541 124.973 120.400 0.054 0.000 2.296 109 K HA 0.383 4.703 4.320 0.000 0.000 0.257 109 K C -0.140 176.464 176.600 0.007 0.000 1.088 109 K CA -0.277 56.029 56.287 0.031 0.000 0.980 109 K CB 0.925 33.434 32.500 0.016 0.000 1.430 109 K HN 0.535 nan 8.250 nan 0.000 0.441 110 T N 0.825 115.370 114.554 -0.016 0.000 2.894 110 T HA 0.269 4.619 4.350 0.000 0.000 0.309 110 T C -1.122 173.403 174.700 -0.292 0.000 1.208 110 T CA -0.972 61.068 62.100 -0.099 0.000 1.016 110 T CB 0.897 69.732 68.868 -0.056 0.000 1.192 110 T HN 0.628 nan 8.240 nan 0.000 0.491 111 K N 2.852 123.084 120.400 -0.280 0.000 2.832 111 K HA 0.390 4.710 4.320 0.000 0.000 0.211 111 K C -0.119 176.266 176.600 -0.359 0.000 1.112 111 K CA -0.607 55.452 56.287 -0.381 0.000 1.108 111 K CB 0.116 32.483 32.500 -0.220 0.000 0.899 111 K HN 0.543 nan 8.250 nan 0.000 0.464 112 Q N 0.902 120.469 119.800 -0.390 0.000 2.304 112 Q HA 0.406 4.746 4.340 0.000 0.000 0.270 112 Q C -1.371 174.585 176.000 -0.073 0.000 1.035 112 Q CA -0.688 54.992 55.803 -0.205 0.000 0.781 112 Q CB 1.243 29.928 28.738 -0.089 0.000 1.261 112 Q HN 0.194 nan 8.270 nan 0.000 0.444 113 F N 0.661 120.585 119.950 -0.044 0.000 2.565 113 F HA 0.807 5.334 4.527 0.000 0.000 0.313 113 F C -0.497 175.295 175.800 -0.013 0.000 1.091 113 F CA -1.296 56.679 58.000 -0.042 0.000 0.915 113 F CB 2.577 41.563 39.000 -0.023 0.000 1.208 113 F HN 0.755 nan 8.300 nan 0.000 0.453 114 A N 1.954 124.876 122.820 0.170 0.000 2.414 114 A HA 0.815 5.135 4.320 0.000 0.000 0.306 114 A C -0.877 176.730 177.584 0.038 0.000 1.054 114 A CA -0.677 51.421 52.037 0.102 0.000 0.724 114 A CB 1.313 20.377 19.000 0.106 0.000 1.267 114 A HN 0.888 nan 8.150 nan 0.000 0.418 115 A N 1.350 124.198 122.820 0.046 0.000 2.462 115 A HA 0.441 4.761 4.320 0.000 0.000 0.243 115 A C 1.057 178.634 177.584 -0.011 0.000 1.076 115 A CA 0.262 52.314 52.037 0.026 0.000 0.773 115 A CB -0.332 18.707 19.000 0.066 0.000 1.010 115 A HN 1.519 nan 8.150 nan 0.000 0.493 116 I N -0.991 119.528 120.570 -0.085 0.000 3.578 116 I HA 0.091 4.261 4.170 0.000 0.000 0.295 116 I C -0.008 175.937 176.117 -0.285 0.000 1.280 116 I CA 0.289 61.475 61.300 -0.190 0.000 1.347 116 I CB -0.320 37.523 38.000 -0.261 0.000 1.051 116 I HN 0.510 nan 8.210 nan 0.000 0.460 117 H N 3.176 122.246 119.070 0.001 0.000 2.702 117 H HA 0.626 5.182 4.556 0.000 0.000 0.252 117 H C 0.233 175.567 175.328 0.010 0.000 1.493 117 H CA -0.294 55.757 56.048 0.005 0.000 1.273 117 H CB 0.540 30.308 29.762 0.009 0.000 1.537 117 H HN 0.380 nan 8.280 nan 0.000 0.547 118 A N 2.651 125.520 122.820 0.082 0.000 2.242 118 A HA 0.329 4.649 4.320 0.000 0.000 0.304 118 A C 0.785 178.407 177.584 0.063 0.000 1.100 118 A CA -0.649 51.427 52.037 0.064 0.000 0.860 118 A CB 1.193 20.218 19.000 0.041 0.000 1.168 118 A HN 0.455 nan 8.150 nan 0.000 0.503 119 E N -0.789 119.442 120.200 0.051 0.000 3.601 119 E HA 0.571 4.921 4.350 0.000 0.000 0.273 119 E C -0.170 176.454 176.600 0.040 0.000 1.368 119 E CA -0.082 56.345 56.400 0.045 0.000 1.286 119 E CB 0.560 30.284 29.700 0.040 0.000 1.383 119 E HN 0.759 nan 8.360 nan 0.000 0.746 120 A N 0.670 123.514 122.820 0.040 0.000 2.393 120 A HA 0.505 4.825 4.320 0.000 0.000 0.306 120 A C -2.479 175.133 177.584 0.046 0.000 1.050 120 A CA -1.618 50.443 52.037 0.040 0.000 0.724 120 A CB 0.742 19.767 19.000 0.042 0.000 1.248 120 A HN 0.224 nan 8.150 nan 0.000 0.424 121 P HA -0.092 nan 4.420 nan 0.000 0.243 121 P C 0.176 177.516 177.300 0.066 0.000 1.107 121 P CA 0.900 64.027 63.100 0.046 0.000 0.848 121 P CB 0.124 31.848 31.700 0.039 0.000 0.771 122 E N 2.207 122.448 120.200 0.069 0.000 2.478 122 E HA -0.114 4.236 4.350 0.000 0.000 0.262 122 E C 0.942 177.637 176.600 0.159 0.000 1.243 122 E CA -0.113 56.349 56.400 0.103 0.000 1.039 122 E CB 0.119 29.871 29.700 0.086 0.000 0.983 122 E HN 0.277 nan 8.360 nan 0.000 0.479 123 F N 1.613 121.569 119.950 0.009 0.000 2.095 123 F HA -0.200 4.327 4.527 0.000 0.000 0.298 123 F C 2.015 177.819 175.800 0.006 0.000 1.104 123 F CA 1.775 59.779 58.000 0.007 0.000 1.232 123 F CB -0.670 38.333 39.000 0.006 0.000 0.987 123 F HN 0.233 nan 8.300 nan 0.000 0.475 124 V N -1.650 118.231 119.914 -0.055 0.000 2.913 124 V HA -0.136 3.984 4.120 0.000 0.000 0.260 124 V C 1.464 177.463 176.094 -0.158 0.000 1.098 124 V CA 1.736 63.912 62.300 -0.206 0.000 1.121 124 V CB -1.165 30.616 31.823 -0.070 0.000 0.714 124 V HN 0.399 nan 8.190 nan 0.000 0.487 125 E N -0.022 120.130 120.200 -0.080 0.000 2.489 125 E HA 0.186 4.537 4.350 0.000 0.000 0.193 125 E C 0.423 176.987 176.600 -0.061 0.000 1.057 125 E CA -0.279 56.089 56.400 -0.054 0.000 0.866 125 E CB 0.024 29.717 29.700 -0.012 0.000 0.916 125 E HN 0.424 nan 8.360 nan 0.000 0.500 126 M N 1.452 120.990 119.600 -0.104 0.000 2.219 126 M HA 0.079 4.559 4.480 0.000 0.000 0.353 126 M C 0.296 176.549 176.300 -0.079 0.000 1.304 126 M CA -0.020 55.238 55.300 -0.071 0.000 1.115 126 M CB 0.932 33.497 32.600 -0.058 0.000 1.664 126 M HN -0.147 nan 8.290 nan 0.000 0.459 127 S N 2.720 118.398 115.700 -0.038 0.000 2.499 127 S HA 0.439 4.909 4.470 0.000 0.000 0.279 127 S C 0.671 175.258 174.600 -0.021 0.000 1.219 127 S CA -0.874 57.307 58.200 -0.032 0.000 1.062 127 S CB 0.512 63.703 63.200 -0.016 0.000 0.978 127 S HN 0.525 nan 8.310 nan 0.000 0.489 128 V N 1.930 121.830 119.914 -0.024 0.000 3.444 128 V HA 0.420 4.540 4.120 0.000 0.000 0.308 128 V C 0.298 176.390 176.094 -0.002 0.000 1.371 128 V CA -0.357 61.937 62.300 -0.011 0.000 1.141 128 V CB -0.653 31.159 31.823 -0.018 0.000 1.037 128 V HN 0.672 nan 8.190 nan 0.000 0.433 129 E N 3.381 123.580 120.200 -0.001 0.000 2.200 129 E HA 0.435 4.785 4.350 0.000 0.000 0.283 129 E C -0.361 176.247 176.600 0.013 0.000 1.015 129 E CA 0.046 56.449 56.400 0.005 0.000 0.819 129 E CB 1.534 31.236 29.700 0.004 0.000 1.081 129 E HN 0.792 nan 8.360 nan 0.000 0.397 130 Q N 1.555 121.366 119.800 0.018 0.000 2.274 130 Q HA 0.492 4.832 4.340 0.000 0.000 0.268 130 Q C -0.847 175.172 176.000 0.032 0.000 1.015 130 Q CA -0.827 54.992 55.803 0.027 0.000 0.775 130 Q CB 1.944 30.700 28.738 0.029 0.000 1.256 130 Q HN 0.473 nan 8.270 nan 0.000 0.442 131 E N 2.637 122.861 120.200 0.040 0.000 2.340 131 E HA 0.453 4.803 4.350 0.000 0.000 0.273 131 E C -0.954 175.682 176.600 0.060 0.000 0.891 131 E CA -1.183 55.245 56.400 0.046 0.000 0.757 131 E CB 2.167 31.892 29.700 0.041 0.000 1.231 131 E HN 0.743 nan 8.360 nan 0.000 0.439 132 I N 3.350 123.960 120.570 0.066 0.000 2.578 132 I HA 0.032 4.202 4.170 0.000 0.000 0.286 132 I C -0.706 175.463 176.117 0.086 0.000 1.126 132 I CA -0.673 60.676 61.300 0.081 0.000 1.380 132 I CB 0.249 38.306 38.000 0.095 0.000 1.408 132 I HN 0.549 nan 8.210 nan 0.000 0.532 133 L N 9.658 130.941 121.223 0.100 0.000 2.342 133 L HA 0.332 4.672 4.340 0.000 0.000 0.285 133 L C -0.480 176.450 176.870 0.099 0.000 1.095 133 L CA 0.058 54.962 54.840 0.107 0.000 0.843 133 L CB 0.683 42.817 42.059 0.124 0.000 1.201 133 L HN 0.422 nan 8.230 nan 0.000 0.445 134 V N 4.865 124.826 119.914 0.078 0.000 2.686 134 V HA 0.256 4.376 4.120 0.000 0.000 0.295 134 V C 1.433 177.562 176.094 0.058 0.000 1.055 134 V CA 0.476 62.809 62.300 0.055 0.000 1.050 134 V CB 0.903 32.754 31.823 0.048 0.000 0.984 134 V HN 0.943 nan 8.190 nan 0.000 0.482 135 T N -0.717 113.855 114.554 0.030 0.000 2.975 135 T HA 0.299 4.650 4.350 0.000 0.000 0.257 135 T C 1.422 176.134 174.700 0.020 0.000 1.003 135 T CA 0.905 63.031 62.100 0.044 0.000 0.932 135 T CB 0.504 69.399 68.868 0.045 0.000 1.087 135 T HN 1.577 nan 8.240 nan 0.000 0.512 136 G N 1.966 110.775 108.800 0.015 0.000 2.212 136 G HA2 -0.230 3.730 3.960 0.000 0.000 0.266 136 G HA3 -0.230 3.730 3.960 0.000 0.000 0.266 136 G C 0.097 175.013 174.900 0.027 0.000 0.978 136 G CA 0.310 45.421 45.100 0.018 0.000 0.632 136 G HN 0.699 nan 8.290 nan 0.000 0.537 137 I N 1.218 121.806 120.570 0.031 0.000 2.379 137 I HA 0.175 4.345 4.170 0.000 0.000 0.290 137 I C 1.709 177.856 176.117 0.050 0.000 1.063 137 I CA -0.409 60.949 61.300 0.097 0.000 1.351 137 I CB 1.047 39.152 38.000 0.175 0.000 1.410 137 I HN 0.031 nan 8.210 nan 0.000 0.505 138 K N 4.107 124.539 120.400 0.053 0.000 2.001 138 K HA -0.198 4.122 4.320 0.000 0.000 0.214 138 K C 1.931 178.515 176.600 -0.027 0.000 1.050 138 K CA 1.586 57.888 56.287 0.025 0.000 0.934 138 K CB -0.181 32.332 32.500 0.022 0.000 0.718 138 K HN 0.635 nan 8.250 nan 0.000 0.443 139 V N 1.264 121.167 119.914 -0.018 0.000 2.282 139 V HA -0.248 3.872 4.120 0.000 0.000 0.249 139 V C 2.045 178.089 176.094 -0.084 0.000 1.057 139 V CA 1.962 64.224 62.300 -0.063 0.000 1.032 139 V CB -0.204 31.610 31.823 -0.015 0.000 0.645 139 V HN 0.163 nan 8.190 nan 0.000 0.447 140 V N 0.574 120.441 119.914 -0.078 0.000 2.343 140 V HA -0.193 3.927 4.120 0.000 0.000 0.247 140 V C 2.446 178.434 176.094 -0.177 0.000 1.051 140 V CA 2.403 64.595 62.300 -0.181 0.000 1.036 140 V CB -0.988 30.619 31.823 -0.359 0.000 0.654 140 V HN 0.572 nan 8.190 nan 0.000 0.451 141 D N -0.106 120.224 120.400 -0.117 0.000 2.123 141 D HA -0.091 4.550 4.640 0.000 0.000 0.200 141 D C 1.989 178.319 176.300 0.050 0.000 0.976 141 D CA 0.953 54.928 54.000 -0.042 0.000 0.831 141 D CB -0.237 40.545 40.800 -0.031 0.000 0.974 141 D HN 0.328 nan 8.370 nan 0.000 0.469 142 L N 0.552 121.755 121.223 -0.034 0.000 1.976 142 L HA -0.088 4.253 4.340 0.000 0.000 0.209 142 L C 2.015 178.904 176.870 0.031 0.000 1.071 142 L CA 1.703 56.519 54.840 -0.040 0.000 0.746 142 L CB -0.561 41.299 42.059 -0.332 0.000 0.890 142 L HN -0.004 nan 8.230 nan 0.000 0.432 143 L N -1.345 119.825 121.223 -0.088 0.000 2.463 143 L HA 0.291 4.631 4.340 0.000 0.000 0.219 143 L C 0.779 177.603 176.870 -0.077 0.000 1.088 143 L CA 0.547 55.324 54.840 -0.105 0.000 0.849 143 L CB -0.163 41.817 42.059 -0.132 0.000 1.012 143 L HN 0.345 nan 8.230 nan 0.000 0.468 144 A N -0.118 122.664 122.820 -0.063 0.000 3.455 144 A HA 0.439 4.759 4.320 0.000 0.000 0.225 144 A C -2.640 174.904 177.584 -0.068 0.000 1.052 144 A CA -0.729 51.285 52.037 -0.039 0.000 1.005 144 A CB -0.242 18.760 19.000 0.004 0.000 1.318 144 A HN -0.127 nan 8.150 nan 0.000 0.639 145 P HA 0.054 nan 4.420 nan 0.000 0.265 145 P C -0.356 176.952 177.300 0.013 0.000 1.187 145 P CA 0.792 63.848 63.100 -0.074 0.000 0.766 145 P CB 0.055 31.778 31.700 0.038 0.000 0.820 146 Y N 0.581 120.913 120.300 0.053 0.000 2.314 146 Y HA 0.415 4.965 4.550 0.000 0.000 0.334 146 Y C 1.067 176.987 175.900 0.033 0.000 1.266 146 Y CA -1.257 56.866 58.100 0.038 0.000 1.391 146 Y CB 0.714 39.192 38.460 0.030 0.000 1.306 146 Y HN 0.307 nan 8.280 nan 0.000 0.558 147 A N 2.528 125.466 122.820 0.197 0.000 2.318 147 A HA 0.347 4.667 4.320 0.000 0.000 0.317 147 A C -0.720 176.907 177.584 0.073 0.000 1.159 147 A CA -1.083 51.020 52.037 0.110 0.000 0.799 147 A CB 0.430 19.477 19.000 0.079 0.000 1.194 147 A HN 0.778 nan 8.150 nan 0.000 0.479 148 K N 1.371 121.812 120.400 0.068 0.000 2.401 148 K HA 0.125 4.445 4.320 0.000 0.000 0.267 148 K C 1.100 177.715 176.600 0.024 0.000 1.140 148 K CA 1.507 57.822 56.287 0.048 0.000 1.199 148 K CB -0.149 32.385 32.500 0.057 0.000 0.822 148 K HN 1.642 nan 8.250 nan 0.000 0.488 149 G N 1.983 110.781 108.800 -0.003 0.000 2.182 149 G HA2 -0.211 3.749 3.960 0.000 0.000 0.248 149 G HA3 -0.211 3.749 3.960 0.000 0.000 0.248 149 G C 0.208 175.094 174.900 -0.023 0.000 1.042 149 G CA -0.203 44.887 45.100 -0.016 0.000 0.775 149 G HN 0.868 nan 8.290 nan 0.000 0.501 150 G N -0.943 107.837 108.800 -0.035 0.000 2.498 150 G HA2 0.632 4.592 3.960 0.000 0.000 0.312 150 G HA3 0.632 4.592 3.960 0.000 0.000 0.312 150 G C -0.316 174.541 174.900 -0.072 0.000 1.230 150 G CA -0.917 44.166 45.100 -0.030 0.000 0.968 150 G HN 0.323 nan 8.290 nan 0.000 0.481 151 K N 0.589 120.959 120.400 -0.051 0.000 2.363 151 K HA 0.286 4.606 4.320 0.000 0.000 0.289 151 K C -0.272 176.275 176.600 -0.087 0.000 1.063 151 K CA 0.290 56.533 56.287 -0.074 0.000 0.967 151 K CB 0.326 32.812 32.500 -0.022 0.000 0.987 151 K HN 0.277 nan 8.250 nan 0.000 0.473 152 I N 1.882 122.341 120.570 -0.186 0.000 2.493 152 I HA 0.377 4.547 4.170 0.000 0.000 0.298 152 I C 0.495 176.482 176.117 -0.217 0.000 0.998 152 I CA -0.763 60.386 61.300 -0.252 0.000 1.137 152 I CB 2.160 39.802 38.000 -0.597 0.000 1.310 152 I HN 0.578 nan 8.210 nan 0.000 0.445 153 G N 6.040 114.765 108.800 -0.125 0.000 2.513 153 G HA2 0.682 4.642 3.960 0.000 0.000 0.317 153 G HA3 0.682 4.642 3.960 0.000 0.000 0.317 153 G C -1.035 173.796 174.900 -0.115 0.000 1.277 153 G CA -0.485 44.503 45.100 -0.185 0.000 0.955 153 G HN 0.440 nan 8.290 nan 0.000 0.484 154 L N 2.547 123.643 121.223 -0.211 0.000 2.335 154 L HA 0.373 4.713 4.340 0.000 0.000 0.268 154 L C -0.689 176.102 176.870 -0.133 0.000 1.037 154 L CA -0.561 54.246 54.840 -0.056 0.000 0.895 154 L CB 0.575 42.631 42.059 -0.005 0.000 1.266 154 L HN 0.370 nan 8.230 nan 0.000 0.439 155 F N 1.353 121.307 119.950 0.007 0.000 2.412 155 F HA 0.599 5.126 4.527 0.000 0.000 0.348 155 F C 1.082 176.888 175.800 0.010 0.000 1.102 155 F CA -0.009 57.979 58.000 -0.019 0.000 1.196 155 F CB 1.632 40.630 39.000 -0.004 0.000 1.144 155 F HN 0.372 nan 8.300 nan 0.000 0.541 156 G N 1.214 110.104 108.800 0.151 0.000 2.752 156 G HA2 0.495 4.455 3.960 0.000 0.000 0.298 156 G HA3 0.495 4.455 3.960 0.000 0.000 0.298 156 G C -0.902 174.010 174.900 0.020 0.000 1.434 156 G CA -0.503 44.651 45.100 0.089 0.000 1.004 156 G HN 0.933 nan 8.290 nan 0.000 0.560 157 G N -0.358 108.443 108.800 0.002 0.000 2.557 157 G HA2 0.728 4.688 3.960 0.000 0.000 0.292 157 G HA3 0.728 4.688 3.960 0.000 0.000 0.292 157 G C 0.526 175.496 174.900 0.117 0.000 1.237 157 G CA 0.229 45.296 45.100 -0.054 0.000 0.978 157 G HN 1.573 nan 8.290 nan 0.000 0.498 158 A N -1.115 121.848 122.820 0.239 0.000 2.491 158 A HA 0.538 4.858 4.320 0.000 0.000 0.261 158 A C 1.392 179.047 177.584 0.119 0.000 1.101 158 A CA 0.967 53.153 52.037 0.249 0.000 0.772 158 A CB -0.452 18.712 19.000 0.273 0.000 1.043 158 A HN 2.510 nan 8.150 nan 0.000 0.501 159 G N 0.790 109.645 108.800 0.091 0.000 2.141 159 G HA2 -0.152 3.808 3.960 0.000 0.000 0.231 159 G HA3 -0.152 3.808 3.960 0.000 0.000 0.231 159 G C 0.666 175.615 174.900 0.082 0.000 0.984 159 G CA 0.681 45.818 45.100 0.061 0.000 0.660 159 G HN 2.114 nan 8.290 nan 0.000 0.525 160 V N -2.559 117.412 119.914 0.096 0.000 3.647 160 V HA 0.633 4.753 4.120 0.000 0.000 0.279 160 V C 1.698 177.897 176.094 0.175 0.000 1.314 160 V CA 1.188 63.560 62.300 0.120 0.000 1.125 160 V CB 0.134 31.999 31.823 0.070 0.000 0.907 160 V HN 2.182 nan 8.190 nan 0.000 0.434 161 G N 0.489 109.360 108.800 0.119 0.000 2.141 161 G HA2 -0.218 3.743 3.960 0.000 0.000 0.164 161 G HA3 -0.218 3.743 3.960 0.000 0.000 0.164 161 G C 0.626 175.587 174.900 0.100 0.000 1.009 161 G CA 0.359 45.513 45.100 0.089 0.000 0.677 161 G HN 0.441 nan 8.290 nan 0.000 0.508 162 K N -0.443 120.014 120.400 0.095 0.000 2.002 162 K HA -0.064 4.256 4.320 0.000 0.000 0.209 162 K C 2.643 179.302 176.600 0.098 0.000 1.048 162 K CA 2.056 58.400 56.287 0.095 0.000 0.930 162 K CB -0.187 32.359 32.500 0.078 0.000 0.714 162 K HN 0.323 nan 8.250 nan 0.000 0.438 163 T N 0.790 115.396 114.554 0.087 0.000 2.737 163 T HA -0.107 4.243 4.350 0.000 0.000 0.265 163 T C 1.888 176.667 174.700 0.133 0.000 1.038 163 T CA 1.373 63.532 62.100 0.099 0.000 1.144 163 T CB -0.151 68.773 68.868 0.093 0.000 0.866 163 T HN -0.032 nan 8.240 nan 0.000 0.434 164 V N 1.956 121.950 119.914 0.132 0.000 2.380 164 V HA -0.161 3.959 4.120 0.000 0.000 0.251 164 V C 2.416 178.681 176.094 0.285 0.000 1.063 164 V CA 1.450 63.865 62.300 0.191 0.000 1.055 164 V CB -0.852 31.056 31.823 0.142 0.000 0.657 164 V HN 0.330 nan 8.190 nan 0.000 0.455 165 L N 0.103 121.501 121.223 0.291 0.000 1.989 165 L HA -0.158 4.182 4.340 0.000 0.000 0.211 165 L C 2.186 179.216 176.870 0.266 0.000 1.071 165 L CA 1.938 57.026 54.840 0.415 0.000 0.749 165 L CB -0.624 41.628 42.059 0.321 0.000 0.890 165 L HN 0.252 nan 8.230 nan 0.000 0.431 166 I N -1.002 119.676 120.570 0.180 0.000 2.567 166 I HA -0.298 3.872 4.170 0.000 0.000 0.257 166 I C 2.052 178.208 176.117 0.065 0.000 1.184 166 I CA 0.760 62.134 61.300 0.123 0.000 1.451 166 I CB 0.052 38.092 38.000 0.068 0.000 1.089 166 I HN 0.387 nan 8.210 nan 0.000 0.441 167 M N -0.151 119.508 119.600 0.100 0.000 2.074 167 M HA -0.214 4.266 4.480 0.000 0.000 0.258 167 M C 2.146 178.447 176.300 0.001 0.000 1.083 167 M CA 1.562 56.900 55.300 0.064 0.000 1.128 167 M CB -1.590 31.076 32.600 0.111 0.000 1.301 167 M HN 0.045 nan 8.290 nan 0.000 0.417 168 E N 0.829 121.023 120.200 -0.011 0.000 2.394 168 E HA -0.148 4.202 4.350 0.000 0.000 0.202 168 E C 1.872 178.362 176.600 -0.182 0.000 1.029 168 E CA 0.932 57.200 56.400 -0.219 0.000 0.855 168 E CB -0.288 28.970 29.700 -0.737 0.000 0.770 168 E HN 0.462 nan 8.360 nan 0.000 0.527 169 L N -0.648 120.555 121.223 -0.034 0.000 2.102 169 L HA 0.016 4.356 4.340 0.000 0.000 0.202 169 L C 2.250 179.151 176.870 0.052 0.000 1.076 169 L CA 0.706 55.587 54.840 0.068 0.000 0.761 169 L CB -0.200 41.986 42.059 0.212 0.000 0.921 169 L HN 0.204 nan 8.230 nan 0.000 0.444 170 I N 0.220 120.722 120.570 -0.114 0.000 2.454 170 I HA -0.289 3.881 4.170 0.000 0.000 0.254 170 I C 2.103 178.162 176.117 -0.097 0.000 1.156 170 I CA 1.002 62.131 61.300 -0.285 0.000 1.433 170 I CB -0.197 37.459 38.000 -0.574 0.000 1.082 170 I HN 0.353 nan 8.210 nan 0.000 0.432 171 N N 0.840 119.500 118.700 -0.066 0.000 2.062 171 N HA -0.156 4.584 4.740 0.000 0.000 0.191 171 N C 1.540 177.040 175.510 -0.017 0.000 1.042 171 N CA 1.576 54.602 53.050 -0.040 0.000 0.845 171 N CB 0.056 38.511 38.487 -0.054 0.000 1.024 171 N HN 0.173 nan 8.380 nan 0.000 0.424 172 N N 0.003 118.688 118.700 -0.026 0.000 2.105 172 N HA -0.082 4.659 4.740 0.000 0.000 0.190 172 N C 1.831 177.373 175.510 0.054 0.000 1.066 172 N CA 1.166 54.216 53.050 0.000 0.000 0.861 172 N CB -1.062 37.408 38.487 -0.028 0.000 1.048 172 N HN -0.008 nan 8.380 nan 0.000 0.442 173 V N 1.365 121.330 119.914 0.085 0.000 2.317 173 V HA -0.239 3.881 4.120 0.000 0.000 0.251 173 V C 1.956 178.134 176.094 0.140 0.000 1.065 173 V CA 2.132 64.506 62.300 0.123 0.000 1.049 173 V CB -0.966 30.950 31.823 0.155 0.000 0.651 173 V HN 0.480 nan 8.190 nan 0.000 0.450 174 A N -1.368 121.543 122.820 0.151 0.000 2.275 174 A HA 0.041 4.361 4.320 0.000 0.000 0.212 174 A C 2.190 179.868 177.584 0.158 0.000 1.201 174 A CA 0.905 53.045 52.037 0.171 0.000 0.843 174 A CB -0.141 18.972 19.000 0.188 0.000 0.873 174 A HN 0.561 nan 8.150 nan 0.000 0.492 175 K N -0.069 120.401 120.400 0.116 0.000 2.172 175 K HA 0.228 4.548 4.320 0.000 0.000 0.203 175 K C 1.388 178.048 176.600 0.100 0.000 1.040 175 K CA 0.849 57.190 56.287 0.090 0.000 0.974 175 K CB -0.152 32.377 32.500 0.049 0.000 0.857 175 K HN 0.207 nan 8.250 nan 0.000 0.464 176 A N 1.670 124.550 122.820 0.099 0.000 2.233 176 A HA -0.008 4.312 4.320 0.000 0.000 0.230 176 A C -0.621 177.044 177.584 0.134 0.000 1.347 176 A CA 0.192 52.283 52.037 0.089 0.000 1.087 176 A CB -0.967 18.076 19.000 0.072 0.000 0.871 176 A HN 0.518 nan 8.150 nan 0.000 0.519 177 H N -1.980 117.116 119.070 0.042 0.000 2.609 177 H HA 0.510 5.066 4.556 0.000 0.000 0.344 177 H C 0.915 176.255 175.328 0.019 0.000 1.040 177 H CA 0.173 56.245 56.048 0.040 0.000 1.216 177 H CB 1.468 31.273 29.762 0.072 0.000 1.529 177 H HN 0.039 nan 8.280 nan 0.000 0.519 178 G N 2.852 111.415 108.800 -0.396 0.000 3.371 178 G HA2 0.281 4.241 3.960 0.000 0.000 0.248 178 G HA3 0.281 4.241 3.960 0.000 0.000 0.248 178 G C 0.579 175.264 174.900 -0.359 0.000 1.161 178 G CA 0.278 45.215 45.100 -0.272 0.000 0.796 178 G HN 0.737 nan 8.290 nan 0.000 0.539 179 G N -0.687 107.838 108.800 -0.458 0.000 2.736 179 G HA2 0.543 4.503 3.960 0.000 0.000 0.229 179 G HA3 0.543 4.503 3.960 0.000 0.000 0.229 179 G C -1.156 173.752 174.900 0.012 0.000 1.380 179 G CA -1.028 43.935 45.100 -0.229 0.000 1.040 179 G HN 0.167 nan 8.290 nan 0.000 0.568 180 Y N -0.092 120.415 120.300 0.346 0.000 2.360 180 Y HA 0.497 5.047 4.550 0.000 0.000 0.337 180 Y C 0.349 176.409 175.900 0.268 0.000 1.039 180 Y CA -0.647 57.667 58.100 0.355 0.000 1.109 180 Y CB 2.224 41.038 38.460 0.590 0.000 1.201 180 Y HN 0.289 nan 8.280 nan 0.000 0.458 181 S N 2.337 118.279 115.700 0.403 0.000 2.482 181 S HA 0.610 5.080 4.470 0.000 0.000 0.303 181 S C -0.912 173.816 174.600 0.213 0.000 1.091 181 S CA -0.864 57.516 58.200 0.300 0.000 1.057 181 S CB 1.818 65.228 63.200 0.351 0.000 1.031 181 S HN 0.358 nan 8.310 nan 0.000 0.485 182 V N 3.669 123.694 119.914 0.184 0.000 2.340 182 V HA 0.331 4.451 4.120 0.000 0.000 0.277 182 V C -0.913 175.344 176.094 0.272 0.000 1.017 182 V CA -0.572 61.801 62.300 0.121 0.000 0.820 182 V CB 0.285 32.073 31.823 -0.058 0.000 1.028 182 V HN 0.924 nan 8.190 nan 0.000 0.436 183 F N 4.534 124.585 119.950 0.169 0.000 2.411 183 F HA 0.717 5.244 4.527 0.000 0.000 0.355 183 F C 0.447 176.321 175.800 0.123 0.000 1.117 183 F CA -0.564 57.543 58.000 0.178 0.000 1.139 183 F CB 0.725 39.791 39.000 0.111 0.000 1.120 183 F HN 0.498 nan 8.300 nan 0.000 0.493 184 A N 5.064 128.146 122.820 0.437 0.000 2.323 184 A HA 0.512 4.832 4.320 0.000 0.000 0.305 184 A C 0.084 177.725 177.584 0.095 0.000 1.275 184 A CA -0.456 51.738 52.037 0.262 0.000 0.804 184 A CB 0.471 19.509 19.000 0.063 0.000 1.152 184 A HN 1.009 nan 8.150 nan 0.000 0.487 185 G N 2.097 110.859 108.800 -0.064 0.000 2.716 185 G HA2 0.436 4.396 3.960 0.000 0.000 0.296 185 G HA3 0.436 4.396 3.960 0.000 0.000 0.296 185 G C -0.053 174.690 174.900 -0.262 0.000 0.811 185 G CA -0.038 44.899 45.100 -0.272 0.000 1.758 185 G HN 0.652 nan 8.290 nan 0.000 0.512 186 V N 2.480 122.322 119.914 -0.120 0.000 2.508 186 V HA 0.442 4.562 4.120 0.000 0.000 0.281 186 V C 1.690 177.759 176.094 -0.040 0.000 1.041 186 V CA 0.936 63.196 62.300 -0.067 0.000 1.016 186 V CB 0.688 32.490 31.823 -0.035 0.000 0.984 186 V HN 1.112 nan 8.190 nan 0.000 0.478 187 G N 3.432 112.214 108.800 -0.031 0.000 2.216 187 G HA2 -0.253 3.707 3.960 0.000 0.000 0.269 187 G HA3 -0.253 3.707 3.960 0.000 0.000 0.269 187 G C 0.449 175.342 174.900 -0.012 0.000 0.981 187 G CA 0.844 45.936 45.100 -0.012 0.000 0.658 187 G HN 0.657 nan 8.290 nan 0.000 0.539 188 E N -0.291 119.894 120.200 -0.025 0.000 4.138 188 E HA 0.360 4.711 4.350 0.000 0.000 0.369 188 E C 0.647 177.242 176.600 -0.008 0.000 0.995 188 E CA -0.863 55.529 56.400 -0.014 0.000 2.264 188 E CB 0.450 30.149 29.700 -0.002 0.000 1.876 188 E HN 0.304 nan 8.360 nan 0.000 0.697 189 R N 0.681 121.186 120.500 0.008 0.000 2.298 189 R HA 0.131 4.471 4.340 0.000 0.000 0.310 189 R C 1.128 177.453 176.300 0.043 0.000 1.068 189 R CA -0.014 56.098 56.100 0.020 0.000 0.957 189 R CB 0.665 30.980 30.300 0.025 0.000 1.003 189 R HN 0.396 nan 8.270 nan 0.000 0.454 190 T N 2.126 116.705 114.554 0.041 0.000 2.746 190 T HA -0.168 4.183 4.350 0.000 0.000 0.267 190 T C 1.807 176.530 174.700 0.038 0.000 1.039 190 T CA 1.265 63.401 62.100 0.059 0.000 1.142 190 T CB -0.101 68.787 68.868 0.032 0.000 0.866 190 T HN 0.514 nan 8.240 nan 0.000 0.444 191 R N 0.746 121.257 120.500 0.018 0.000 2.154 191 R HA -0.149 4.191 4.340 0.000 0.000 0.248 191 R C 1.953 178.257 176.300 0.007 0.000 1.155 191 R CA 1.814 57.915 56.100 0.002 0.000 0.979 191 R CB -0.124 30.181 30.300 0.008 0.000 0.869 191 R HN 0.471 nan 8.270 nan 0.000 0.452 192 E N -1.623 118.602 120.200 0.042 0.000 2.442 192 E HA 0.000 4.350 4.350 0.000 0.000 0.195 192 E C 1.532 178.175 176.600 0.072 0.000 1.030 192 E CA 0.473 56.907 56.400 0.057 0.000 0.869 192 E CB 0.312 30.059 29.700 0.079 0.000 0.857 192 E HN 0.547 nan 8.360 nan 0.000 0.505 193 G N 1.122 110.004 108.800 0.135 0.000 2.456 193 G HA2 -0.302 3.658 3.960 0.000 0.000 0.213 193 G HA3 -0.302 3.658 3.960 0.000 0.000 0.213 193 G C 1.313 176.150 174.900 -0.106 0.000 1.215 193 G CA 0.724 45.936 45.100 0.186 0.000 0.805 193 G HN 0.260 nan 8.290 nan 0.000 0.537 194 N N 0.595 119.199 118.700 -0.161 0.000 2.111 194 N HA -0.211 4.529 4.740 0.000 0.000 0.197 194 N C 1.684 177.026 175.510 -0.281 0.000 1.011 194 N CA 1.959 54.851 53.050 -0.264 0.000 0.880 194 N CB -0.214 38.135 38.487 -0.231 0.000 1.031 194 N HN 0.169 nan 8.380 nan 0.000 0.444 195 D N -0.527 119.787 120.400 -0.143 0.000 2.178 195 D HA -0.113 4.527 4.640 0.000 0.000 0.201 195 D C 1.856 178.125 176.300 -0.052 0.000 0.980 195 D CA 0.664 54.607 54.000 -0.096 0.000 0.842 195 D CB -0.105 40.681 40.800 -0.024 0.000 0.948 195 D HN 0.457 nan 8.370 nan 0.000 0.472 196 L N -1.146 120.052 121.223 -0.042 0.000 2.168 196 L HA -0.029 4.311 4.340 0.000 0.000 0.203 196 L C 2.159 179.036 176.870 0.012 0.000 1.078 196 L CA 0.740 55.559 54.840 -0.035 0.000 0.780 196 L CB -0.427 41.559 42.059 -0.122 0.000 0.939 196 L HN -0.101 nan 8.230 nan 0.000 0.451 197 Y N 1.172 121.382 120.300 -0.150 0.000 2.029 197 Y HA -0.421 4.129 4.550 0.000 0.000 0.269 197 Y C 2.612 178.570 175.900 0.098 0.000 1.201 197 Y CA 2.503 60.568 58.100 -0.059 0.000 1.115 197 Y CB -0.804 37.624 38.460 -0.052 0.000 0.945 197 Y HN 0.427 nan 8.280 nan 0.000 0.497 198 H N -1.358 117.717 119.070 0.009 0.000 2.428 198 H HA -0.072 4.484 4.556 0.000 0.000 0.296 198 H C 1.938 177.222 175.328 -0.073 0.000 1.062 198 H CA 0.801 56.812 56.048 -0.063 0.000 1.350 198 H CB 0.097 29.855 29.762 -0.006 0.000 1.403 198 H HN 0.516 nan 8.280 nan 0.000 0.533 199 E N 0.686 120.928 120.200 0.070 0.000 2.208 199 E HA -0.068 4.282 4.350 0.000 0.000 0.193 199 E C 1.283 177.873 176.600 -0.017 0.000 0.988 199 E CA 0.411 56.821 56.400 0.017 0.000 0.828 199 E CB 0.161 29.867 29.700 0.011 0.000 0.763 199 E HN 0.376 nan 8.360 nan 0.000 0.478 200 M N 0.647 120.225 119.600 -0.038 0.000 2.719 200 M HA 0.176 4.656 4.480 0.000 0.000 0.247 200 M C 0.801 177.027 176.300 -0.122 0.000 1.287 200 M CA 0.301 55.562 55.300 -0.065 0.000 1.004 200 M CB 0.387 32.951 32.600 -0.059 0.000 1.514 200 M HN 0.123 nan 8.290 nan 0.000 0.462 201 I N -1.995 118.501 120.570 -0.124 0.000 5.157 201 I HA -0.054 4.116 4.170 0.000 0.000 0.350 201 I C 1.644 177.695 176.117 -0.110 0.000 1.233 201 I CA 0.270 61.469 61.300 -0.168 0.000 1.476 201 I CB 0.719 38.547 38.000 -0.287 0.000 1.619 201 I HN 0.097 nan 8.210 nan 0.000 0.557 202 E N 1.207 121.362 120.200 -0.076 0.000 2.107 202 E HA -0.163 4.187 4.350 0.000 0.000 0.191 202 E C 2.017 178.594 176.600 -0.039 0.000 0.982 202 E CA 2.009 58.378 56.400 -0.051 0.000 0.809 202 E CB 0.148 29.831 29.700 -0.030 0.000 0.756 202 E HN 0.461 nan 8.360 nan 0.000 0.459 203 S N -1.172 114.507 115.700 -0.035 0.000 2.478 203 S HA 0.157 4.627 4.470 0.000 0.000 0.222 203 S C 1.561 176.147 174.600 -0.024 0.000 1.008 203 S CA 0.333 58.520 58.200 -0.022 0.000 0.928 203 S CB -0.092 63.099 63.200 -0.014 0.000 0.781 203 S HN 0.505 nan 8.310 nan 0.000 0.518 204 G N 1.237 110.012 108.800 -0.042 0.000 2.333 204 G HA2 -0.221 3.739 3.960 0.000 0.000 0.296 204 G HA3 -0.221 3.739 3.960 0.000 0.000 0.296 204 G C 0.494 175.386 174.900 -0.014 0.000 1.059 204 G CA 0.249 45.324 45.100 -0.042 0.000 1.050 204 G HN 0.837 nan 8.290 nan 0.000 0.508 205 V N -0.705 119.204 119.914 -0.007 0.000 2.719 205 V HA 0.143 4.263 4.120 0.000 0.000 0.252 205 V C 1.581 177.691 176.094 0.028 0.000 1.065 205 V CA 0.856 63.174 62.300 0.030 0.000 1.086 205 V CB -0.276 31.575 31.823 0.046 0.000 0.700 205 V HN 0.545 nan 8.190 nan 0.000 0.467 206 I N 2.164 122.718 120.570 -0.027 0.000 2.321 206 I HA 0.424 4.594 4.170 0.000 0.000 0.291 206 I C -0.561 175.509 176.117 -0.078 0.000 0.998 206 I CA 0.052 61.318 61.300 -0.058 0.000 1.227 206 I CB 1.021 38.926 38.000 -0.159 0.000 1.368 206 I HN 0.179 nan 8.210 nan 0.000 0.466 207 N N 6.535 125.210 118.700 -0.042 0.000 2.399 207 N HA 0.350 5.090 4.740 0.000 0.000 0.280 207 N C 0.607 176.093 175.510 -0.041 0.000 1.008 207 N CA -0.473 52.550 53.050 -0.045 0.000 0.894 207 N CB 1.999 40.476 38.487 -0.016 0.000 1.273 207 N HN 0.501 nan 8.380 nan 0.000 0.486 208 L N 1.863 123.050 121.223 -0.061 0.000 2.291 208 L HA -0.077 4.263 4.340 0.000 0.000 0.214 208 L C 1.620 178.478 176.870 -0.021 0.000 1.120 208 L CA 0.818 55.631 54.840 -0.044 0.000 0.799 208 L CB -0.149 41.873 42.059 -0.060 0.000 0.925 208 L HN 0.411 nan 8.230 nan 0.000 0.446 209 K N 0.683 121.070 120.400 -0.021 0.000 2.035 209 K HA 0.001 4.321 4.320 0.000 0.000 0.213 209 K C 0.950 177.550 176.600 -0.001 0.000 1.027 209 K CA 0.687 56.967 56.287 -0.011 0.000 0.950 209 K CB -0.872 31.619 32.500 -0.014 0.000 0.790 209 K HN 0.278 nan 8.250 nan 0.000 0.448 210 D N 0.173 120.574 120.400 0.002 0.000 2.002 210 D HA 0.096 4.736 4.640 0.000 0.000 0.260 210 D C 0.262 176.574 176.300 0.019 0.000 1.159 210 D CA 0.358 54.364 54.000 0.011 0.000 0.961 210 D CB -0.056 40.752 40.800 0.013 0.000 1.222 210 D HN 0.228 nan 8.370 nan 0.000 0.500 211 A N -1.504 121.334 122.820 0.030 0.000 2.568 211 A HA 0.319 4.639 4.320 0.000 0.000 0.287 211 A C 0.891 178.515 177.584 0.066 0.000 0.967 211 A CA 0.117 52.181 52.037 0.044 0.000 1.004 211 A CB -0.649 18.376 19.000 0.042 0.000 1.233 211 A HN 0.524 nan 8.150 nan 0.000 0.513 212 T N -1.909 112.681 114.554 0.059 0.000 3.252 212 T HA 0.140 4.490 4.350 0.000 0.000 0.250 212 T C 0.585 175.345 174.700 0.100 0.000 1.123 212 T CA 0.351 62.496 62.100 0.075 0.000 1.006 212 T CB -0.564 68.332 68.868 0.048 0.000 0.992 212 T HN 0.152 nan 8.240 nan 0.000 0.547 213 S N 1.972 117.733 115.700 0.102 0.000 2.515 213 S HA 0.173 4.643 4.470 0.000 0.000 0.285 213 S C 0.843 175.568 174.600 0.209 0.000 1.265 213 S CA -0.341 57.929 58.200 0.117 0.000 1.079 213 S CB 0.513 63.766 63.200 0.088 0.000 0.877 213 S HN 0.490 nan 8.310 nan 0.000 0.493 214 K N 2.032 122.567 120.400 0.225 0.000 2.498 214 K HA 0.255 4.575 4.320 0.000 0.000 0.207 214 K C -0.915 175.889 176.600 0.339 0.000 1.033 214 K CA 0.052 56.557 56.287 0.362 0.000 1.138 214 K CB 0.556 33.221 32.500 0.274 0.000 0.860 214 K HN 0.316 nan 8.250 nan 0.000 0.490 215 V N 1.268 121.319 119.914 0.228 0.000 2.555 215 V HA 0.274 4.394 4.120 0.000 0.000 0.283 215 V C -0.665 175.500 176.094 0.118 0.000 1.020 215 V CA -1.201 61.205 62.300 0.176 0.000 0.883 215 V CB 1.390 33.300 31.823 0.144 0.000 1.030 215 V HN 0.188 nan 8.190 nan 0.000 0.448 216 A N 6.423 129.280 122.820 0.061 0.000 2.409 216 A HA 0.759 5.079 4.320 0.000 0.000 0.267 216 A C -0.327 177.306 177.584 0.081 0.000 1.127 216 A CA -0.108 51.939 52.037 0.016 0.000 0.795 216 A CB 0.195 19.110 19.000 -0.142 0.000 1.061 216 A HN 0.802 nan 8.150 nan 0.000 0.502 217 L N 4.117 125.395 121.223 0.090 0.000 2.280 217 L HA 0.435 4.775 4.340 0.000 0.000 0.287 217 L C -0.633 176.329 176.870 0.154 0.000 1.023 217 L CA -0.696 54.233 54.840 0.147 0.000 0.819 217 L CB 1.248 43.326 42.059 0.032 0.000 1.212 217 L HN 0.388 nan 8.230 nan 0.000 0.420 218 V N 3.427 123.488 119.914 0.245 0.000 2.547 218 V HA 0.495 4.615 4.120 0.000 0.000 0.299 218 V C -1.013 175.318 176.094 0.395 0.000 1.040 218 V CA -0.523 61.904 62.300 0.212 0.000 0.913 218 V CB 1.974 33.851 31.823 0.090 0.000 0.992 218 V HN 0.417 nan 8.190 nan 0.000 0.449 219 Y N 1.178 121.474 120.300 -0.006 0.000 2.479 219 Y HA 0.711 5.261 4.550 0.000 0.000 0.338 219 Y C 0.330 176.223 175.900 -0.011 0.000 1.055 219 Y CA -0.864 57.234 58.100 -0.005 0.000 1.023 219 Y CB 2.696 41.127 38.460 -0.047 0.000 1.287 219 Y HN 0.691 nan 8.280 nan 0.000 0.447 220 G N 3.932 112.760 108.800 0.046 0.000 2.562 220 G HA2 0.372 4.332 3.960 0.000 0.000 0.298 220 G HA3 0.372 4.332 3.960 0.000 0.000 0.298 220 G C -1.136 173.762 174.900 -0.002 0.000 1.499 220 G CA -0.626 44.492 45.100 0.030 0.000 1.036 220 G HN 0.267 nan 8.290 nan 0.000 0.543 221 Q N 1.266 121.076 119.800 0.017 0.000 2.177 221 Q HA 0.306 4.647 4.340 0.000 0.000 0.183 221 Q C 1.984 177.985 176.000 0.001 0.000 1.040 221 Q CA -0.740 55.065 55.803 0.002 0.000 1.089 221 Q CB 0.718 29.474 28.738 0.031 0.000 1.130 221 Q HN 0.760 nan 8.270 nan 0.000 0.575 222 M N -0.504 119.095 119.600 -0.002 0.000 2.686 222 M HA -0.007 4.473 4.480 0.000 0.000 0.246 222 M C 0.469 176.768 176.300 -0.003 0.000 1.096 222 M CA 1.135 56.432 55.300 -0.005 0.000 1.076 222 M CB -0.515 32.079 32.600 -0.010 0.000 1.504 222 M HN 0.381 nan 8.290 nan 0.000 0.524 223 N N 0.185 118.887 118.700 0.002 0.000 2.373 223 N HA 0.067 4.807 4.740 0.000 0.000 0.181 223 N C -0.157 175.354 175.510 0.001 0.000 1.082 223 N CA 0.110 53.161 53.050 0.001 0.000 0.885 223 N CB 0.013 38.503 38.487 0.004 0.000 0.977 223 N HN 0.447 nan 8.380 nan 0.000 0.462 224 E N 0.835 121.036 120.200 0.002 0.000 2.283 224 E HA 0.315 4.665 4.350 0.000 0.000 0.267 224 E C -2.224 174.374 176.600 -0.003 0.000 1.045 224 E CA -1.890 54.511 56.400 0.001 0.000 0.884 224 E CB 0.271 29.974 29.700 0.006 0.000 1.106 224 E HN 0.105 nan 8.360 nan 0.000 0.408 225 P HA -0.040 nan 4.420 nan 0.000 0.272 225 P C -1.938 175.356 177.300 -0.009 0.000 1.243 225 P CA -0.648 62.448 63.100 -0.006 0.000 0.803 225 P CB -0.225 31.473 31.700 -0.004 0.000 0.974 226 P HA -0.124 nan 4.420 nan 0.000 0.216 226 P C 1.512 178.803 177.300 -0.015 0.000 1.153 226 P CA 1.854 64.939 63.100 -0.025 0.000 0.848 226 P CB -0.477 31.204 31.700 -0.032 0.000 0.787 227 G N 0.560 109.358 108.800 -0.004 0.000 2.553 227 G HA2 -0.352 3.608 3.960 0.000 0.000 0.218 227 G HA3 -0.352 3.608 3.960 0.000 0.000 0.218 227 G C 1.659 176.571 174.900 0.019 0.000 1.195 227 G CA 1.567 46.673 45.100 0.010 0.000 0.779 227 G HN 0.338 nan 8.290 nan 0.000 0.577 228 A N 0.750 123.578 122.820 0.013 0.000 1.852 228 A HA -0.152 4.168 4.320 0.000 0.000 0.217 228 A C 2.439 180.037 177.584 0.023 0.000 1.215 228 A CA 2.200 54.246 52.037 0.016 0.000 0.641 228 A CB -0.688 18.317 19.000 0.010 0.000 0.838 228 A HN 0.379 nan 8.150 nan 0.000 0.450 229 R N -0.773 119.736 120.500 0.015 0.000 2.117 229 R HA -0.141 4.199 4.340 0.000 0.000 0.243 229 R C 2.320 178.660 176.300 0.067 0.000 1.143 229 R CA 1.205 57.318 56.100 0.022 0.000 0.968 229 R CB -0.540 29.758 30.300 -0.004 0.000 0.863 229 R HN 0.555 nan 8.270 nan 0.000 0.444 230 A N 0.575 123.425 122.820 0.050 0.000 2.186 230 A HA -0.126 4.194 4.320 0.000 0.000 0.219 230 A C 1.646 179.378 177.584 0.246 0.000 1.159 230 A CA 1.261 53.355 52.037 0.095 0.000 0.680 230 A CB 0.008 19.012 19.000 0.008 0.000 0.787 230 A HN 0.133 nan 8.150 nan 0.000 0.467 231 R N -2.303 118.280 120.500 0.138 0.000 2.568 231 R HA 0.143 4.483 4.340 0.000 0.000 0.254 231 R C 1.564 177.865 176.300 0.002 0.000 0.925 231 R CA 0.844 56.991 56.100 0.078 0.000 1.025 231 R CB -0.627 29.705 30.300 0.054 0.000 1.428 231 R HN 0.331 nan 8.270 nan 0.000 0.573 232 V N 1.657 121.578 119.914 0.013 0.000 2.439 232 V HA -0.249 3.871 4.120 0.000 0.000 0.253 232 V C 2.405 178.470 176.094 -0.049 0.000 1.074 232 V CA 2.358 64.650 62.300 -0.013 0.000 1.076 232 V CB -0.780 31.041 31.823 -0.003 0.000 0.664 232 V HN 0.275 nan 8.190 nan 0.000 0.461 233 A N -0.870 121.907 122.820 -0.072 0.000 1.975 233 A HA 0.070 4.390 4.320 0.000 0.000 0.215 233 A C 2.161 179.622 177.584 -0.206 0.000 1.170 233 A CA 0.763 52.706 52.037 -0.157 0.000 0.656 233 A CB -0.296 18.557 19.000 -0.245 0.000 0.821 233 A HN 0.428 nan 8.150 nan 0.000 0.449 234 L N -0.320 120.782 121.223 -0.202 0.000 2.131 234 L HA -0.149 4.191 4.340 0.000 0.000 0.210 234 L C 2.587 179.351 176.870 -0.176 0.000 1.092 234 L CA 1.956 56.666 54.840 -0.216 0.000 0.759 234 L CB -1.019 40.898 42.059 -0.238 0.000 0.903 234 L HN 0.385 nan 8.230 nan 0.000 0.435 235 T N -0.535 113.938 114.554 -0.135 0.000 2.623 235 T HA -0.085 4.265 4.350 0.000 0.000 0.254 235 T C 1.730 176.380 174.700 -0.084 0.000 1.075 235 T CA 1.273 63.310 62.100 -0.104 0.000 1.177 235 T CB -0.581 68.241 68.868 -0.077 0.000 0.869 235 T HN 0.480 nan 8.240 nan 0.000 0.403 236 G N 1.705 110.466 108.800 -0.064 0.000 2.581 236 G HA2 -0.210 3.750 3.960 0.000 0.000 0.223 236 G HA3 -0.210 3.750 3.960 0.000 0.000 0.223 236 G C 1.465 176.320 174.900 -0.075 0.000 1.094 236 G CA 1.569 46.639 45.100 -0.050 0.000 0.736 236 G HN 0.564 nan 8.290 nan 0.000 0.588 237 L N -2.567 118.599 121.223 -0.095 0.000 2.408 237 L HA 0.393 4.733 4.340 0.000 0.000 0.215 237 L C 2.346 179.180 176.870 -0.059 0.000 1.081 237 L CA 1.745 56.530 54.840 -0.092 0.000 0.840 237 L CB -0.778 41.208 42.059 -0.123 0.000 1.002 237 L HN -0.084 nan 8.230 nan 0.000 0.468 238 T N 0.160 114.677 114.554 -0.062 0.000 2.759 238 T HA -0.140 4.211 4.350 0.000 0.000 0.269 238 T C 1.976 176.687 174.700 0.018 0.000 1.042 238 T CA 1.899 63.986 62.100 -0.021 0.000 1.140 238 T CB -0.363 68.477 68.868 -0.046 0.000 0.864 238 T HN 0.215 nan 8.240 nan 0.000 0.455 239 V N 1.343 121.239 119.914 -0.030 0.000 2.343 239 V HA -0.143 3.977 4.120 0.000 0.000 0.247 239 V C 2.677 178.716 176.094 -0.092 0.000 1.051 239 V CA 1.823 64.088 62.300 -0.057 0.000 1.036 239 V CB -0.852 30.896 31.823 -0.125 0.000 0.654 239 V HN 0.535 nan 8.190 nan 0.000 0.451 240 A N -1.491 121.270 122.820 -0.097 0.000 2.178 240 A HA -0.022 4.298 4.320 0.000 0.000 0.211 240 A C 2.097 179.721 177.584 0.068 0.000 1.157 240 A CA 0.660 52.641 52.037 -0.093 0.000 0.780 240 A CB -0.271 18.672 19.000 -0.095 0.000 0.828 240 A HN 0.570 nan 8.150 nan 0.000 0.476 241 E N -1.519 118.735 120.200 0.090 0.000 2.158 241 E HA -0.136 4.214 4.350 0.000 0.000 0.191 241 E C 1.519 178.235 176.600 0.194 0.000 0.982 241 E CA 0.812 57.278 56.400 0.111 0.000 0.823 241 E CB -0.166 29.579 29.700 0.076 0.000 0.766 241 E HN 0.772 nan 8.360 nan 0.000 0.468 242 Y N 0.651 121.045 120.300 0.158 0.000 2.060 242 Y HA -0.271 4.279 4.550 0.000 0.000 0.276 242 Y C 1.777 177.861 175.900 0.306 0.000 1.127 242 Y CA 1.696 59.931 58.100 0.225 0.000 1.104 242 Y CB -0.463 38.168 38.460 0.285 0.000 0.983 242 Y HN -0.033 nan 8.280 nan 0.000 0.483 243 F N 0.834 120.874 119.950 0.149 0.000 2.380 243 F HA -0.195 4.332 4.527 0.000 0.000 0.299 243 F C 2.529 178.359 175.800 0.049 0.000 1.064 243 F CA 1.629 59.685 58.000 0.093 0.000 1.432 243 F CB -0.832 38.280 39.000 0.188 0.000 1.089 243 F HN 0.172 nan 8.300 nan 0.000 0.562 244 R N 0.324 120.946 120.500 0.203 0.000 2.051 244 R HA -0.057 4.283 4.340 0.000 0.000 0.218 244 R C 1.812 178.127 176.300 0.026 0.000 1.188 244 R CA 1.228 57.392 56.100 0.106 0.000 0.992 244 R CB -0.514 29.835 30.300 0.082 0.000 0.883 244 R HN -0.014 nan 8.270 nan 0.000 0.444 245 D N 0.639 121.039 120.400 -0.000 0.000 2.149 245 D HA -0.162 4.478 4.640 0.000 0.000 0.198 245 D C 1.981 178.227 176.300 -0.090 0.000 0.990 245 D CA 1.148 55.127 54.000 -0.034 0.000 0.839 245 D CB 0.080 40.869 40.800 -0.017 0.000 0.948 245 D HN 0.272 nan 8.370 nan 0.000 0.460 246 Q N 0.296 119.980 119.800 -0.193 0.000 1.879 246 Q HA -0.042 4.298 4.340 0.000 0.000 0.214 246 Q C 2.236 178.152 176.000 -0.141 0.000 0.973 246 Q CA 0.780 56.436 55.803 -0.244 0.000 0.856 246 Q CB -0.892 27.528 28.738 -0.530 0.000 0.907 246 Q HN 0.132 nan 8.270 nan 0.000 0.436 247 E N 0.126 120.247 120.200 -0.131 0.000 2.208 247 E HA -0.169 4.181 4.350 0.000 0.000 0.202 247 E C 1.021 177.607 176.600 -0.023 0.000 1.014 247 E CA 1.431 57.801 56.400 -0.049 0.000 0.819 247 E CB -0.604 29.108 29.700 0.020 0.000 0.735 247 E HN 0.725 nan 8.360 nan 0.000 0.469 248 G N -0.384 108.407 108.800 -0.015 0.000 2.155 248 G HA2 -0.380 3.580 3.960 0.000 0.000 0.257 248 G HA3 -0.380 3.580 3.960 0.000 0.000 0.257 248 G C 0.332 175.245 174.900 0.022 0.000 0.983 248 G CA 0.579 45.679 45.100 -0.001 0.000 0.676 248 G HN 0.305 nan 8.290 nan 0.000 0.528 249 Q N 0.335 120.164 119.800 0.047 0.000 2.526 249 Q HA 0.471 4.811 4.340 0.000 0.000 0.207 249 Q C -0.152 175.910 176.000 0.103 0.000 1.078 249 Q CA 0.163 56.009 55.803 0.073 0.000 1.041 249 Q CB 0.366 29.183 28.738 0.132 0.000 1.228 249 Q HN 0.244 nan 8.270 nan 0.000 0.603 250 D N 0.720 121.200 120.400 0.132 0.000 2.499 250 D HA 0.211 4.851 4.640 0.000 0.000 0.225 250 D C -1.089 175.376 176.300 0.274 0.000 1.124 250 D CA -0.133 53.986 54.000 0.198 0.000 0.938 250 D CB 0.236 41.199 40.800 0.271 0.000 1.014 250 D HN 0.161 nan 8.370 nan 0.000 0.517 251 V N 1.366 121.388 119.914 0.181 0.000 2.461 251 V HA 0.260 4.380 4.120 0.000 0.000 0.275 251 V C 0.647 176.746 176.094 0.010 0.000 1.047 251 V CA -0.789 61.613 62.300 0.170 0.000 0.955 251 V CB 1.004 32.927 31.823 0.166 0.000 0.988 251 V HN 0.289 nan 8.190 nan 0.000 0.471 252 L N 5.937 127.144 121.223 -0.025 0.000 2.261 252 L HA 0.409 4.749 4.340 0.000 0.000 0.289 252 L C -0.402 176.357 176.870 -0.184 0.000 1.059 252 L CA -0.457 54.260 54.840 -0.205 0.000 0.816 252 L CB 1.299 43.280 42.059 -0.129 0.000 1.191 252 L HN 0.554 nan 8.230 nan 0.000 0.431 253 L N 5.230 126.248 121.223 -0.341 0.000 2.277 253 L HA 0.510 4.850 4.340 0.000 0.000 0.284 253 L C -0.957 175.645 176.870 -0.446 0.000 1.028 253 L CA 0.072 54.763 54.840 -0.250 0.000 0.835 253 L CB 0.457 42.407 42.059 -0.181 0.000 1.215 253 L HN 0.130 nan 8.230 nan 0.000 0.425 254 F N 5.862 125.703 119.950 -0.181 0.000 2.408 254 F HA 0.589 5.116 4.527 0.000 0.000 0.344 254 F C 0.319 175.849 175.800 -0.450 0.000 1.112 254 F CA -0.494 57.303 58.000 -0.339 0.000 1.096 254 F CB 0.955 39.684 39.000 -0.452 0.000 1.129 254 F HN 0.278 nan 8.300 nan 0.000 0.486 255 I N 2.141 122.557 120.570 -0.258 0.000 2.603 255 I HA 0.461 4.631 4.170 0.000 0.000 0.300 255 I C -1.132 174.809 176.117 -0.293 0.000 1.017 255 I CA -0.725 60.408 61.300 -0.277 0.000 1.098 255 I CB 2.180 40.062 38.000 -0.197 0.000 1.279 255 I HN 0.425 nan 8.210 nan 0.000 0.437 256 D N 4.273 124.526 120.400 -0.245 0.000 2.362 256 D HA 0.173 4.813 4.640 0.000 0.000 0.232 256 D C -1.675 174.588 176.300 -0.062 0.000 1.329 256 D CA -0.263 53.655 54.000 -0.138 0.000 0.944 256 D CB 0.774 41.491 40.800 -0.138 0.000 1.471 256 D HN 0.499 nan 8.370 nan 0.000 0.533 257 N N 4.300 122.984 118.700 -0.026 0.000 2.533 257 N HA 0.122 4.862 4.740 0.000 0.000 0.289 257 N C 0.503 176.041 175.510 0.047 0.000 1.103 257 N CA -0.525 52.532 53.050 0.011 0.000 0.877 257 N CB 1.284 39.815 38.487 0.073 0.000 1.419 257 N HN 0.328 nan 8.380 nan 0.000 0.517 258 I N 4.047 124.613 120.570 -0.007 0.000 2.908 258 I HA -0.123 4.047 4.170 0.000 0.000 0.271 258 I C 1.253 177.433 176.117 0.105 0.000 1.275 258 I CA 0.860 62.157 61.300 -0.004 0.000 1.446 258 I CB -0.663 37.280 38.000 -0.095 0.000 1.092 258 I HN 0.589 nan 8.210 nan 0.000 0.482 259 F N 1.335 121.297 119.950 0.020 0.000 2.128 259 F HA -0.111 4.416 4.527 0.000 0.000 0.295 259 F C 2.292 178.154 175.800 0.102 0.000 1.100 259 F CA 1.252 59.296 58.000 0.074 0.000 1.260 259 F CB -0.425 38.653 39.000 0.130 0.000 1.009 259 F HN -0.046 nan 8.300 nan 0.000 0.476 260 R N 0.147 120.622 120.500 -0.042 0.000 2.261 260 R HA -0.218 4.123 4.340 0.000 0.000 0.236 260 R C 2.062 178.274 176.300 -0.146 0.000 1.141 260 R CA 1.171 57.189 56.100 -0.137 0.000 1.001 260 R CB -1.861 28.449 30.300 0.016 0.000 0.866 260 R HN 0.470 nan 8.270 nan 0.000 0.468 261 F N 1.887 121.710 119.950 -0.212 0.000 2.113 261 F HA -0.154 4.373 4.527 0.000 0.000 0.297 261 F C 1.860 177.546 175.800 -0.189 0.000 1.103 261 F CA 1.832 59.733 58.000 -0.165 0.000 1.248 261 F CB -0.377 38.544 39.000 -0.132 0.000 0.999 261 F HN -0.031 nan 8.300 nan 0.000 0.475 262 T N -0.648 113.609 114.554 -0.495 0.000 3.014 262 T HA -0.114 4.236 4.350 0.000 0.000 0.263 262 T C 1.866 176.329 174.700 -0.395 0.000 1.078 262 T CA 0.974 62.750 62.100 -0.539 0.000 1.135 262 T CB -0.445 68.234 68.868 -0.315 0.000 0.895 262 T HN 0.485 nan 8.240 nan 0.000 0.480 263 Q N 1.617 121.092 119.800 -0.542 0.000 1.993 263 Q HA -0.092 4.248 4.340 0.000 0.000 0.202 263 Q C 2.603 178.468 176.000 -0.225 0.000 0.984 263 Q CA 1.586 57.167 55.803 -0.370 0.000 0.837 263 Q CB -0.529 27.922 28.738 -0.479 0.000 0.902 263 Q HN 0.508 nan 8.270 nan 0.000 0.423 264 A N 0.835 123.519 122.820 -0.227 0.000 1.903 264 A HA -0.221 4.099 4.320 0.000 0.000 0.219 264 A C 2.340 179.817 177.584 -0.177 0.000 1.191 264 A CA 2.084 54.027 52.037 -0.158 0.000 0.638 264 A CB -1.715 17.213 19.000 -0.120 0.000 0.823 264 A HN 0.668 nan 8.150 nan 0.000 0.451 265 G N -0.973 107.654 108.800 -0.288 0.000 2.442 265 G HA2 -0.237 3.723 3.960 0.000 0.000 0.219 265 G HA3 -0.237 3.723 3.960 0.000 0.000 0.219 265 G C 1.925 176.732 174.900 -0.156 0.000 1.141 265 G CA 1.754 46.694 45.100 -0.266 0.000 0.763 265 G HN 0.696 nan 8.290 nan 0.000 0.554 266 S N 0.583 116.202 115.700 -0.134 0.000 2.348 266 S HA -0.147 4.323 4.470 0.000 0.000 0.221 266 S C 2.218 176.771 174.600 -0.078 0.000 1.033 266 S CA 1.875 60.027 58.200 -0.081 0.000 1.010 266 S CB -0.443 62.707 63.200 -0.084 0.000 0.891 266 S HN 0.585 nan 8.310 nan 0.000 0.442 267 E N 0.474 120.626 120.200 -0.081 0.000 2.097 267 E HA -0.157 4.193 4.350 0.000 0.000 0.196 267 E C 2.264 178.835 176.600 -0.049 0.000 1.000 267 E CA 1.838 58.202 56.400 -0.060 0.000 0.804 267 E CB -0.505 29.163 29.700 -0.054 0.000 0.740 267 E HN 0.725 nan 8.360 nan 0.000 0.454 268 V N -1.503 118.380 119.914 -0.052 0.000 2.878 268 V HA -0.057 4.063 4.120 0.000 0.000 0.250 268 V C 2.337 178.410 176.094 -0.035 0.000 1.075 268 V CA 1.457 63.734 62.300 -0.038 0.000 1.096 268 V CB 0.177 31.979 31.823 -0.035 0.000 0.724 268 V HN 0.145 nan 8.190 nan 0.000 0.467 269 S N 1.402 117.077 115.700 -0.043 0.000 2.380 269 S HA -0.275 4.195 4.470 0.000 0.000 0.229 269 S C 2.157 176.742 174.600 -0.024 0.000 1.043 269 S CA 2.418 60.598 58.200 -0.033 0.000 1.038 269 S CB -0.725 62.455 63.200 -0.033 0.000 0.872 269 S HN 1.138 nan 8.310 nan 0.000 0.456 270 A N 1.411 124.215 122.820 -0.027 0.000 1.849 270 A HA -0.048 4.272 4.320 0.000 0.000 0.217 270 A C 2.125 179.699 177.584 -0.016 0.000 1.202 270 A CA 1.866 53.890 52.037 -0.022 0.000 0.629 270 A CB -1.133 17.852 19.000 -0.026 0.000 0.834 270 A HN 0.574 nan 8.150 nan 0.000 0.447 271 L N -0.746 120.467 121.223 -0.017 0.000 2.549 271 L HA -0.054 4.286 4.340 0.000 0.000 0.230 271 L C 1.831 178.695 176.870 -0.009 0.000 1.162 271 L CA 0.520 55.353 54.840 -0.013 0.000 0.834 271 L CB -0.260 41.791 42.059 -0.013 0.000 0.947 271 L HN 0.338 nan 8.230 nan 0.000 0.452 272 L N -1.045 120.172 121.223 -0.010 0.000 2.585 272 L HA 0.286 4.626 4.340 0.000 0.000 0.226 272 L C 1.158 178.025 176.870 -0.004 0.000 1.113 272 L CA 0.423 55.259 54.840 -0.006 0.000 0.876 272 L CB 0.212 42.264 42.059 -0.010 0.000 1.072 272 L HN 0.325 nan 8.230 nan 0.000 0.468 273 G N 0.669 109.466 108.800 -0.005 0.000 2.226 273 G HA2 -0.198 3.762 3.960 0.000 0.000 0.176 273 G HA3 -0.198 3.762 3.960 0.000 0.000 0.176 273 G C -0.268 174.630 174.900 -0.003 0.000 1.042 273 G CA -0.656 44.443 45.100 -0.003 0.000 0.732 273 G HN 0.127 nan 8.290 nan 0.000 0.494 274 R N -0.140 120.357 120.500 -0.005 0.000 2.295 274 R HA 0.652 4.992 4.340 0.000 0.000 0.324 274 R C 0.989 177.288 176.300 -0.001 0.000 0.968 274 R CA -0.752 55.347 56.100 -0.002 0.000 0.837 274 R CB 0.665 30.963 30.300 -0.004 0.000 1.133 274 R HN 0.354 nan 8.270 nan 0.000 0.450 275 I N 5.401 125.972 120.570 0.002 0.000 2.775 275 I HA 0.019 4.189 4.170 0.000 0.000 0.290 275 I C -1.686 174.434 176.117 0.006 0.000 1.203 275 I CA -0.972 60.330 61.300 0.003 0.000 1.433 275 I CB 0.305 38.308 38.000 0.005 0.000 1.354 275 I HN 0.369 nan 8.210 nan 0.000 0.579 276 P HA 0.248 nan 4.420 nan 0.000 0.278 276 P C -0.734 176.580 177.300 0.022 0.000 1.258 276 P CA -0.590 62.515 63.100 0.009 0.000 0.811 276 P CB 1.264 32.961 31.700 -0.004 0.000 1.063 277 S N 0.191 115.916 115.700 0.042 0.000 2.667 277 S HA 0.758 5.228 4.470 0.000 0.000 0.292 277 S C 0.016 174.657 174.600 0.069 0.000 1.108 277 S CA -0.708 57.524 58.200 0.054 0.000 0.992 277 S CB -0.079 63.159 63.200 0.064 0.000 1.269 277 S HN 0.519 nan 8.310 nan 0.000 0.528 278 A N 0.226 123.095 122.820 0.081 0.000 2.531 278 A HA 0.469 4.789 4.320 0.000 0.000 0.236 278 A C 1.190 178.860 177.584 0.144 0.000 1.062 278 A CA 0.144 52.234 52.037 0.090 0.000 0.760 278 A CB -1.020 18.028 19.000 0.080 0.000 0.995 278 A HN 1.793 nan 8.150 nan 0.000 0.501 279 V N 1.155 121.131 119.914 0.104 0.000 1.878 279 V HA -0.342 3.778 4.120 0.000 0.000 0.079 279 V C 1.714 177.794 176.094 -0.024 0.000 0.474 279 V CA 2.024 64.379 62.300 0.092 0.000 1.423 279 V CB -2.319 29.640 31.823 0.227 0.000 1.673 279 V HN 2.940 nan 8.190 nan 0.000 0.860 280 G N -2.128 106.672 108.800 0.000 0.000 2.198 280 G HA2 -0.316 3.644 3.960 0.000 0.000 0.257 280 G HA3 -0.316 3.644 3.960 0.000 0.000 0.257 280 G C -0.297 174.515 174.900 -0.146 0.000 1.042 280 G CA 0.406 45.465 45.100 -0.069 0.000 0.791 280 G HN 0.817 nan 8.290 nan 0.000 0.502 281 Y N 0.368 120.673 120.300 0.009 0.000 2.408 281 Y HA 0.483 5.033 4.550 0.000 0.000 0.324 281 Y C 1.400 177.288 175.900 -0.019 0.000 1.302 281 Y CA -0.548 57.548 58.100 -0.007 0.000 1.384 281 Y CB 0.492 38.955 38.460 0.004 0.000 1.367 281 Y HN 0.392 nan 8.280 nan 0.000 0.525 282 Q N 1.260 121.150 119.800 0.151 0.000 2.386 282 Q HA 0.037 4.377 4.340 0.000 0.000 0.282 282 Q C -2.389 173.647 176.000 0.060 0.000 1.050 282 Q CA -1.544 54.294 55.803 0.059 0.000 0.918 282 Q CB 0.098 28.844 28.738 0.013 0.000 1.266 282 Q HN 0.380 nan 8.270 nan 0.000 0.423 283 P HA -0.044 nan 4.420 nan 0.000 0.239 283 P C 0.598 177.912 177.300 0.023 0.000 1.184 283 P CA 1.136 64.255 63.100 0.031 0.000 0.760 283 P CB 0.020 31.732 31.700 0.019 0.000 0.884 284 T N -5.422 109.142 114.554 0.017 0.000 3.091 284 T HA 0.172 4.522 4.350 0.000 0.000 0.277 284 T C 1.333 176.034 174.700 0.002 0.000 0.996 284 T CA -0.313 61.792 62.100 0.009 0.000 0.897 284 T CB -0.911 67.958 68.868 0.000 0.000 1.109 284 T HN -0.031 nan 8.240 nan 0.000 0.534 285 L N 1.473 122.695 121.223 -0.002 0.000 2.064 285 L HA -0.117 4.224 4.340 0.000 0.000 0.216 285 L C 2.699 179.560 176.870 -0.014 0.000 1.077 285 L CA 2.139 56.955 54.840 -0.039 0.000 0.766 285 L CB -0.703 41.304 42.059 -0.086 0.000 0.890 285 L HN 0.415 nan 8.230 nan 0.000 0.435 286 A N -0.329 122.498 122.820 0.012 0.000 1.834 286 A HA -0.292 4.028 4.320 0.000 0.000 0.216 286 A C 2.383 180.010 177.584 0.072 0.000 1.203 286 A CA 3.073 55.138 52.037 0.046 0.000 0.621 286 A CB -1.504 17.522 19.000 0.042 0.000 0.841 286 A HN 0.634 nan 8.150 nan 0.000 0.446 287 T N -2.511 112.078 114.554 0.058 0.000 2.857 287 T HA -0.113 4.237 4.350 0.000 0.000 0.266 287 T C 1.386 176.133 174.700 0.079 0.000 1.048 287 T CA 1.483 63.623 62.100 0.066 0.000 1.139 287 T CB -0.616 68.280 68.868 0.046 0.000 0.874 287 T HN 0.339 nan 8.240 nan 0.000 0.455 288 D N 1.078 121.522 120.400 0.073 0.000 2.133 288 D HA -0.137 4.503 4.640 0.000 0.000 0.192 288 D C 1.907 178.343 176.300 0.226 0.000 1.001 288 D CA 1.397 55.472 54.000 0.126 0.000 0.844 288 D CB -0.414 40.401 40.800 0.025 0.000 0.944 288 D HN 0.428 nan 8.370 nan 0.000 0.447 289 M N -0.029 119.662 119.600 0.151 0.000 2.099 289 M HA -0.030 4.450 4.480 0.000 0.000 0.262 289 M C 2.054 178.316 176.300 -0.063 0.000 1.067 289 M CA 2.064 57.405 55.300 0.068 0.000 1.124 289 M CB -0.350 32.242 32.600 -0.012 0.000 1.353 289 M HN 0.046 nan 8.290 nan 0.000 0.410 290 G N -0.456 108.380 108.800 0.061 0.000 2.545 290 G HA2 -0.264 3.696 3.960 0.000 0.000 0.217 290 G HA3 -0.264 3.696 3.960 0.000 0.000 0.217 290 G C 0.985 175.936 174.900 0.085 0.000 1.218 290 G CA 1.416 46.610 45.100 0.157 0.000 0.787 290 G HN 0.597 nan 8.290 nan 0.000 0.571 291 T N -1.676 112.919 114.554 0.068 0.000 4.210 291 T HA 0.421 4.771 4.350 0.000 0.000 0.229 291 T C 0.810 175.521 174.700 0.017 0.000 0.813 291 T CA 0.778 62.908 62.100 0.051 0.000 0.888 291 T CB 0.211 69.115 68.868 0.061 0.000 1.327 291 T HN 0.314 nan 8.240 nan 0.000 0.739 292 M N -0.805 118.772 119.600 -0.039 0.000 1.591 292 M HA 0.038 4.518 4.480 0.000 0.000 0.298 292 M C 0.476 176.667 176.300 -0.182 0.000 0.849 292 M CA 0.198 55.416 55.300 -0.137 0.000 1.057 292 M CB -0.201 32.260 32.600 -0.232 0.000 2.104 292 M HN 0.224 nan 8.290 nan 0.000 0.794 293 Q N 1.287 120.977 119.800 -0.183 0.000 2.123 293 Q HA 0.068 4.408 4.340 0.000 0.000 0.196 293 Q C 1.270 177.265 176.000 -0.009 0.000 0.958 293 Q CA 1.162 56.863 55.803 -0.170 0.000 0.841 293 Q CB -0.086 28.402 28.738 -0.417 0.000 0.915 293 Q HN 0.499 nan 8.270 nan 0.000 0.455 294 E N 0.609 120.842 120.200 0.055 0.000 2.455 294 E HA -0.156 4.194 4.350 0.000 0.000 0.202 294 E C 1.601 178.220 176.600 0.031 0.000 1.045 294 E CA 0.663 57.107 56.400 0.074 0.000 0.872 294 E CB 0.045 29.797 29.700 0.086 0.000 0.792 294 E HN 0.269 nan 8.360 nan 0.000 0.542 295 R N -0.395 120.101 120.500 -0.007 0.000 2.167 295 R HA 0.234 4.574 4.340 0.000 0.000 0.201 295 R C 1.056 177.338 176.300 -0.030 0.000 1.024 295 R CA 0.023 56.113 56.100 -0.016 0.000 1.053 295 R CB 0.381 30.660 30.300 -0.034 0.000 0.987 295 R HN 0.057 nan 8.270 nan 0.000 0.493 296 I N 2.215 122.751 120.570 -0.057 0.000 2.501 296 I HA -0.017 4.153 4.170 0.000 0.000 0.305 296 I C 0.284 176.375 176.117 -0.044 0.000 1.197 296 I CA 0.461 61.719 61.300 -0.070 0.000 1.793 296 I CB -0.182 37.751 38.000 -0.112 0.000 1.521 296 I HN 0.078 nan 8.210 nan 0.000 0.843 297 T N 2.506 117.046 114.554 -0.024 0.000 2.626 297 T HA 0.437 4.787 4.350 0.000 0.000 0.279 297 T C -0.466 174.229 174.700 -0.008 0.000 0.983 297 T CA -0.247 61.849 62.100 -0.008 0.000 1.059 297 T CB 2.243 71.119 68.868 0.015 0.000 1.396 297 T HN 0.243 nan 8.240 nan 0.000 0.519 298 T N 1.986 116.540 114.554 0.001 0.000 2.864 298 T HA 0.562 4.912 4.350 0.000 0.000 0.299 298 T C -0.215 174.487 174.700 0.004 0.000 1.011 298 T CA -0.596 61.505 62.100 0.002 0.000 0.975 298 T CB 0.909 69.776 68.868 -0.000 0.000 0.962 298 T HN 0.833 nan 8.240 nan 0.000 0.448 299 T N 1.256 115.813 114.554 0.005 0.000 2.862 299 T HA 0.410 4.760 4.350 0.000 0.000 0.276 299 T C 1.545 176.241 174.700 -0.006 0.000 0.974 299 T CA -0.968 61.131 62.100 -0.000 0.000 0.966 299 T CB 1.064 69.934 68.868 0.003 0.000 1.072 299 T HN 0.287 nan 8.240 nan 0.000 0.538 300 K N 0.655 121.046 120.400 -0.015 0.000 2.044 300 K HA -0.133 4.187 4.320 0.000 0.000 0.210 300 K C 2.169 178.762 176.600 -0.010 0.000 1.049 300 K CA 1.425 57.701 56.287 -0.018 0.000 0.927 300 K CB -0.327 32.157 32.500 -0.026 0.000 0.713 300 K HN 0.584 nan 8.250 nan 0.000 0.443 301 K N 0.283 120.678 120.400 -0.008 0.000 2.113 301 K HA -0.104 4.216 4.320 0.000 0.000 0.208 301 K C 1.408 178.007 176.600 -0.003 0.000 1.047 301 K CA 1.277 57.560 56.287 -0.008 0.000 0.928 301 K CB -0.038 32.457 32.500 -0.008 0.000 0.716 301 K HN 0.260 nan 8.250 nan 0.000 0.446 302 G N -0.306 108.497 108.800 0.005 0.000 2.645 302 G HA2 0.357 4.317 3.960 0.000 0.000 0.292 302 G HA3 0.357 4.317 3.960 0.000 0.000 0.292 302 G C -1.583 173.329 174.900 0.020 0.000 1.415 302 G CA -0.522 44.589 45.100 0.017 0.000 0.785 302 G HN 0.077 nan 8.290 nan 0.000 0.483 303 S N -1.012 114.708 115.700 0.032 0.000 2.538 303 S HA 0.765 5.235 4.470 0.000 0.000 0.288 303 S C -0.900 173.715 174.600 0.025 0.000 1.108 303 S CA -0.725 57.490 58.200 0.025 0.000 0.971 303 S CB 1.486 64.702 63.200 0.027 0.000 1.041 303 S HN 0.680 nan 8.310 nan 0.000 0.483 304 I N 2.735 123.303 120.570 -0.004 0.000 2.448 304 I HA 0.249 4.419 4.170 0.000 0.000 0.281 304 I C -0.008 176.060 176.117 -0.081 0.000 1.027 304 I CA -0.554 60.725 61.300 -0.035 0.000 1.111 304 I CB 1.812 39.787 38.000 -0.043 0.000 1.236 304 I HN 0.564 nan 8.210 nan 0.000 0.452 305 T N 4.608 119.094 114.554 -0.114 0.000 2.817 305 T HA 0.158 4.508 4.350 0.000 0.000 0.295 305 T C 0.358 174.889 174.700 -0.282 0.000 0.958 305 T CA 0.038 62.031 62.100 -0.178 0.000 1.157 305 T CB 0.240 68.990 68.868 -0.197 0.000 0.898 305 T HN 0.719 nan 8.240 nan 0.000 0.536 306 S N 2.749 118.284 115.700 -0.275 0.000 2.478 306 S HA 0.590 5.060 4.470 0.000 0.000 0.312 306 S C -0.521 173.848 174.600 -0.385 0.000 1.094 306 S CA -0.857 57.147 58.200 -0.327 0.000 1.081 306 S CB 1.513 64.580 63.200 -0.221 0.000 1.007 306 S HN 0.353 nan 8.310 nan 0.000 0.475 307 V N 3.860 123.486 119.914 -0.480 0.000 2.250 307 V HA 0.317 4.437 4.120 0.000 0.000 0.268 307 V C -0.188 175.750 176.094 -0.260 0.000 1.043 307 V CA -0.421 61.650 62.300 -0.383 0.000 0.814 307 V CB 0.438 32.045 31.823 -0.359 0.000 1.072 307 V HN 0.920 nan 8.190 nan 0.000 0.451 308 Q N 2.277 121.929 119.800 -0.247 0.000 2.306 308 Q HA 0.740 5.080 4.340 0.000 0.000 0.241 308 Q C 0.071 175.941 176.000 -0.216 0.000 0.948 308 Q CA -0.138 55.531 55.803 -0.223 0.000 0.886 308 Q CB 1.835 30.434 28.738 -0.232 0.000 1.227 308 Q HN 0.803 nan 8.270 nan 0.000 0.457 309 A N 2.448 125.158 122.820 -0.183 0.000 2.304 309 A HA 0.595 4.915 4.320 0.000 0.000 0.314 309 A C -1.135 176.349 177.584 -0.167 0.000 1.187 309 A CA -0.613 51.326 52.037 -0.162 0.000 0.810 309 A CB 0.383 19.338 19.000 -0.075 0.000 1.183 309 A HN 0.580 nan 8.150 nan 0.000 0.487 310 I N 2.384 122.776 120.570 -0.297 0.000 2.354 310 I HA 0.250 4.420 4.170 0.000 0.000 0.292 310 I C -0.194 175.868 176.117 -0.092 0.000 0.989 310 I CA -0.583 60.570 61.300 -0.245 0.000 1.188 310 I CB 0.910 38.549 38.000 -0.602 0.000 1.342 310 I HN 0.603 nan 8.210 nan 0.000 0.457 311 Y N 6.656 126.859 120.300 -0.161 0.000 2.425 311 Y HA 0.425 4.975 4.550 0.000 0.000 0.331 311 Y C -0.211 175.462 175.900 -0.379 0.000 1.157 311 Y CA -0.521 57.383 58.100 -0.328 0.000 1.372 311 Y CB 0.841 38.943 38.460 -0.598 0.000 1.253 311 Y HN 0.342 nan 8.280 nan 0.000 0.536 312 V N 9.124 128.592 119.914 -0.743 0.000 2.294 312 V HA 0.267 4.387 4.120 0.000 0.000 0.272 312 V C -2.294 173.154 176.094 -1.077 0.000 1.027 312 V CA -2.175 59.755 62.300 -0.617 0.000 0.823 312 V CB 0.709 32.387 31.823 -0.242 0.000 1.030 312 V HN 0.718 nan 8.190 nan 0.000 0.457 313 P HA 0.177 nan 4.420 nan 0.000 0.258 313 P C 0.693 177.808 177.300 -0.309 0.000 1.214 313 P CA 0.956 63.679 63.100 -0.627 0.000 0.872 313 P CB 0.441 32.082 31.700 -0.098 0.000 0.890 314 A N 4.112 126.768 122.820 -0.273 0.000 3.080 314 A HA -0.236 4.084 4.320 0.000 0.000 0.254 314 A C 0.954 178.470 177.584 -0.114 0.000 1.277 314 A CA 1.015 52.994 52.037 -0.097 0.000 1.065 314 A CB -2.547 16.436 19.000 -0.029 0.000 1.160 314 A HN 0.495 nan 8.150 nan 0.000 0.886 315 D N -2.137 118.145 120.400 -0.197 0.000 2.876 315 D HA -0.148 4.492 4.640 0.000 0.000 0.196 315 D C -0.183 176.065 176.300 -0.086 0.000 1.014 315 D CA 1.836 55.760 54.000 -0.127 0.000 1.012 315 D CB -1.480 39.280 40.800 -0.067 0.000 1.080 315 D HN 0.878 nan 8.370 nan 0.000 0.438 316 D N 0.801 121.150 120.400 -0.086 0.000 2.470 316 D HA 0.139 4.779 4.640 0.000 0.000 0.226 316 D C 1.412 177.702 176.300 -0.017 0.000 1.196 316 D CA -0.120 53.856 54.000 -0.039 0.000 0.979 316 D CB -0.158 40.632 40.800 -0.017 0.000 1.059 316 D HN 0.254 nan 8.370 nan 0.000 0.515 317 L N 2.464 123.686 121.223 -0.002 0.000 2.661 317 L HA -0.130 4.210 4.340 0.000 0.000 0.236 317 L C 1.951 178.866 176.870 0.074 0.000 1.176 317 L CA 1.220 56.092 54.840 0.053 0.000 0.836 317 L CB -0.656 41.421 42.059 0.030 0.000 0.960 317 L HN 0.442 nan 8.230 nan 0.000 0.455 318 T N -6.196 108.382 114.554 0.039 0.000 3.010 318 T HA 0.001 4.351 4.350 0.000 0.000 0.257 318 T C 0.735 175.471 174.700 0.060 0.000 1.020 318 T CA -0.507 61.619 62.100 0.043 0.000 0.938 318 T CB -0.026 68.852 68.868 0.016 0.000 1.049 318 T HN 0.163 nan 8.240 nan 0.000 0.522 319 D N 3.344 123.784 120.400 0.066 0.000 2.520 319 D HA 0.032 4.672 4.640 0.000 0.000 0.243 319 D C -1.485 174.854 176.300 0.066 0.000 1.160 319 D CA -1.238 52.824 54.000 0.103 0.000 0.877 319 D CB 1.501 42.372 40.800 0.118 0.000 1.150 319 D HN 0.050 nan 8.370 nan 0.000 0.494 320 P HA -0.201 nan 4.420 nan 0.000 0.219 320 P C 0.689 177.861 177.300 -0.213 0.000 1.145 320 P CA 1.529 64.569 63.100 -0.100 0.000 0.813 320 P CB 0.214 31.830 31.700 -0.139 0.000 0.771 321 A N 0.487 123.140 122.820 -0.279 0.000 1.823 321 A HA -0.056 4.264 4.320 0.000 0.000 0.214 321 A C -0.157 177.466 177.584 0.064 0.000 1.225 321 A CA 1.665 53.627 52.037 -0.125 0.000 0.604 321 A CB -2.041 17.053 19.000 0.156 0.000 0.878 321 A HN 0.170 nan 8.150 nan 0.000 0.450 322 P HA -0.157 nan 4.420 nan 0.000 0.219 322 P C 1.500 178.910 177.300 0.184 0.000 1.146 322 P CA 2.019 65.233 63.100 0.189 0.000 0.808 322 P CB -0.207 31.619 31.700 0.210 0.000 0.779 323 A N -0.230 122.701 122.820 0.186 0.000 1.902 323 A HA -0.141 4.179 4.320 0.000 0.000 0.217 323 A C 2.345 180.094 177.584 0.274 0.000 1.181 323 A CA 2.332 54.533 52.037 0.274 0.000 0.623 323 A CB -1.830 17.257 19.000 0.145 0.000 0.818 323 A HN 0.183 nan 8.150 nan 0.000 0.443 324 T N -0.618 114.031 114.554 0.159 0.000 2.985 324 T HA -0.046 4.304 4.350 0.000 0.000 0.266 324 T C 1.903 176.751 174.700 0.246 0.000 1.076 324 T CA 1.555 63.755 62.100 0.165 0.000 1.135 324 T CB -0.311 68.613 68.868 0.094 0.000 0.890 324 T HN 0.537 nan 8.240 nan 0.000 0.480 325 T N 1.691 116.354 114.554 0.182 0.000 2.759 325 T HA -0.044 4.306 4.350 0.000 0.000 0.269 325 T C 1.492 176.339 174.700 0.245 0.000 1.042 325 T CA 1.034 63.227 62.100 0.154 0.000 1.140 325 T CB -0.526 68.341 68.868 -0.002 0.000 0.864 325 T HN 0.396 nan 8.240 nan 0.000 0.455 326 F N 1.617 121.761 119.950 0.324 0.000 2.154 326 F HA -0.151 4.376 4.527 0.000 0.000 0.301 326 F C 2.669 178.543 175.800 0.124 0.000 1.087 326 F CA 0.871 58.997 58.000 0.211 0.000 1.274 326 F CB -0.497 38.517 39.000 0.023 0.000 1.009 326 F HN 0.140 nan 8.300 nan 0.000 0.485 327 A N -0.910 122.063 122.820 0.254 0.000 1.978 327 A HA -0.215 4.105 4.320 0.000 0.000 0.220 327 A C 1.572 179.129 177.584 -0.044 0.000 1.170 327 A CA 1.536 53.598 52.037 0.042 0.000 0.636 327 A CB -1.008 17.938 19.000 -0.089 0.000 0.810 327 A HN 0.483 nan 8.150 nan 0.000 0.448 328 H N -1.010 118.118 119.070 0.096 0.000 2.566 328 H HA 0.344 4.900 4.556 0.000 0.000 0.280 328 H C -0.126 175.233 175.328 0.051 0.000 1.042 328 H CA 0.199 56.279 56.048 0.054 0.000 1.168 328 H CB -0.241 29.535 29.762 0.023 0.000 1.340 328 H HN 0.323 nan 8.280 nan 0.000 0.597 329 L N -0.294 121.029 121.223 0.165 0.000 2.279 329 L HA 0.242 4.582 4.340 0.000 0.000 0.262 329 L C 0.609 177.544 176.870 0.108 0.000 1.019 329 L CA -0.583 54.339 54.840 0.136 0.000 0.823 329 L CB 2.051 44.225 42.059 0.191 0.000 1.358 329 L HN -0.037 nan 8.230 nan 0.000 0.432 330 D N 0.167 120.619 120.400 0.088 0.000 2.473 330 D HA 0.288 4.928 4.640 0.000 0.000 0.230 330 D C -0.090 176.274 176.300 0.107 0.000 1.097 330 D CA 0.445 54.493 54.000 0.080 0.000 0.861 330 D CB 1.816 42.649 40.800 0.055 0.000 1.114 330 D HN 0.477 nan 8.370 nan 0.000 0.500 331 A N 0.972 123.872 122.820 0.133 0.000 2.480 331 A HA 0.490 4.810 4.320 0.000 0.000 0.289 331 A C -0.591 177.131 177.584 0.230 0.000 1.044 331 A CA -0.622 51.533 52.037 0.196 0.000 0.761 331 A CB 1.156 20.321 19.000 0.275 0.000 1.289 331 A HN -0.065 nan 8.150 nan 0.000 0.401 332 T N -0.244 114.475 114.554 0.274 0.000 2.809 332 T HA 0.690 5.040 4.350 0.000 0.000 0.284 332 T C -0.358 174.545 174.700 0.338 0.000 0.992 332 T CA -0.375 61.938 62.100 0.355 0.000 0.957 332 T CB 1.210 70.360 68.868 0.471 0.000 0.942 332 T HN 0.497 nan 8.240 nan 0.000 0.439 333 T N 3.881 118.653 114.554 0.365 0.000 2.743 333 T HA 0.509 4.859 4.350 0.000 0.000 0.292 333 T C -0.190 174.699 174.700 0.314 0.000 0.972 333 T CA -0.468 61.814 62.100 0.304 0.000 0.967 333 T CB 0.856 69.922 68.868 0.330 0.000 0.926 333 T HN 0.641 nan 8.240 nan 0.000 0.459 334 V N 5.269 125.327 119.914 0.241 0.000 2.398 334 V HA 0.412 4.532 4.120 0.000 0.000 0.286 334 V C -0.375 175.806 176.094 0.145 0.000 1.026 334 V CA -0.871 61.569 62.300 0.233 0.000 0.868 334 V CB 1.508 33.419 31.823 0.147 0.000 0.982 334 V HN 0.601 nan 8.190 nan 0.000 0.443 335 L N 4.356 125.667 121.223 0.146 0.000 2.325 335 L HA 0.576 4.916 4.340 0.000 0.000 0.279 335 L C 0.389 177.286 176.870 0.045 0.000 1.054 335 L CA 0.518 55.410 54.840 0.086 0.000 0.804 335 L CB 1.831 43.947 42.059 0.096 0.000 1.200 335 L HN 0.769 nan 8.230 nan 0.000 0.436 336 S N 3.441 119.143 115.700 0.003 0.000 2.478 336 S HA 0.437 4.907 4.470 0.000 0.000 0.312 336 S C 0.942 175.512 174.600 -0.049 0.000 1.094 336 S CA -0.693 57.493 58.200 -0.023 0.000 1.081 336 S CB 1.216 64.394 63.200 -0.037 0.000 1.007 336 S HN 0.676 nan 8.310 nan 0.000 0.475 337 R N 4.085 124.563 120.500 -0.037 0.000 2.073 337 R HA -0.012 4.328 4.340 0.000 0.000 0.234 337 R C 2.202 178.458 176.300 -0.073 0.000 1.134 337 R CA 2.109 58.181 56.100 -0.046 0.000 0.952 337 R CB -0.964 29.321 30.300 -0.025 0.000 0.850 337 R HN 0.824 nan 8.270 nan 0.000 0.433 338 A N 0.508 123.290 122.820 -0.063 0.000 1.978 338 A HA -0.111 4.209 4.320 0.000 0.000 0.220 338 A C 2.172 179.699 177.584 -0.094 0.000 1.170 338 A CA 1.539 53.535 52.037 -0.068 0.000 0.636 338 A CB -0.520 18.446 19.000 -0.055 0.000 0.810 338 A HN 0.429 nan 8.150 nan 0.000 0.448 339 I N -0.756 119.748 120.570 -0.110 0.000 2.277 339 I HA -0.182 3.988 4.170 0.000 0.000 0.243 339 I C 2.993 178.959 176.117 -0.251 0.000 1.094 339 I CA 0.833 62.046 61.300 -0.144 0.000 1.393 339 I CB -0.419 37.507 38.000 -0.123 0.000 1.078 339 I HN 0.343 nan 8.210 nan 0.000 0.417 340 A N 0.549 123.174 122.820 -0.324 0.000 1.865 340 A HA -0.301 4.019 4.320 0.000 0.000 0.217 340 A C 2.218 179.535 177.584 -0.444 0.000 1.191 340 A CA 2.082 53.738 52.037 -0.634 0.000 0.623 340 A CB -0.835 17.880 19.000 -0.476 0.000 0.826 340 A HN 0.441 nan 8.150 nan 0.000 0.444 341 E N -0.673 119.400 120.200 -0.211 0.000 2.284 341 E HA -0.181 4.169 4.350 0.000 0.000 0.200 341 E C 1.032 177.572 176.600 -0.100 0.000 1.008 341 E CA 0.954 57.289 56.400 -0.108 0.000 0.829 341 E CB -0.085 29.575 29.700 -0.066 0.000 0.744 341 E HN 0.456 nan 8.360 nan 0.000 0.491 342 L N -0.990 120.147 121.223 -0.143 0.000 2.591 342 L HA 0.199 4.539 4.340 0.000 0.000 0.228 342 L C 1.651 178.432 176.870 -0.147 0.000 1.133 342 L CA 1.149 55.914 54.840 -0.125 0.000 0.880 342 L CB -0.674 41.309 42.059 -0.127 0.000 1.033 342 L HN 0.330 nan 8.230 nan 0.000 0.450 343 G N 0.363 109.066 108.800 -0.161 0.000 2.176 343 G HA2 -0.268 3.692 3.960 0.000 0.000 0.253 343 G HA3 -0.268 3.692 3.960 0.000 0.000 0.253 343 G C 0.577 175.454 174.900 -0.038 0.000 0.979 343 G CA -0.135 44.947 45.100 -0.029 0.000 0.641 343 G HN 0.316 nan 8.290 nan 0.000 0.530 344 I N 1.959 122.400 120.570 -0.215 0.000 2.270 344 I HA 0.260 4.430 4.170 0.000 0.000 0.300 344 I C 0.212 176.209 176.117 -0.199 0.000 1.186 344 I CA -0.122 61.104 61.300 -0.124 0.000 1.431 344 I CB -0.680 37.239 38.000 -0.136 0.000 1.485 344 I HN 0.077 nan 8.210 nan 0.000 0.650 345 Y N 6.260 126.559 120.300 -0.002 0.000 2.320 345 Y HA 0.306 4.856 4.550 0.000 0.000 0.324 345 Y C -1.752 174.038 175.900 -0.182 0.000 1.190 345 Y CA -2.533 55.502 58.100 -0.109 0.000 1.215 345 Y CB 0.751 39.131 38.460 -0.134 0.000 1.221 345 Y HN 0.353 nan 8.280 nan 0.000 0.486 346 P HA 0.080 nan 4.420 nan 0.000 0.276 346 P C -0.674 176.596 177.300 -0.049 0.000 1.253 346 P CA -0.149 62.872 63.100 -0.131 0.000 0.766 346 P CB 0.891 32.423 31.700 -0.280 0.000 0.845 347 A N 4.753 127.542 122.820 -0.052 0.000 3.110 347 A HA 0.152 4.472 4.320 0.000 0.000 0.265 347 A C 0.535 178.101 177.584 -0.030 0.000 1.962 347 A CA -0.101 51.870 52.037 -0.110 0.000 1.493 347 A CB -1.273 17.613 19.000 -0.190 0.000 0.941 347 A HN 0.409 nan 8.150 nan 0.000 0.610 348 V N 1.663 121.572 119.914 -0.009 0.000 2.461 348 V HA 0.083 4.203 4.120 0.000 0.000 0.275 348 V C 0.383 176.479 176.094 0.002 0.000 1.047 348 V CA -0.590 61.722 62.300 0.021 0.000 0.955 348 V CB 1.352 33.195 31.823 0.034 0.000 0.988 348 V HN 0.660 nan 8.190 nan 0.000 0.471 349 D N 7.960 128.366 120.400 0.010 0.000 2.352 349 D HA 0.175 4.815 4.640 0.000 0.000 0.245 349 D C -1.373 174.921 176.300 -0.011 0.000 1.224 349 D CA -2.057 51.939 54.000 -0.007 0.000 0.879 349 D CB 1.646 42.441 40.800 -0.009 0.000 1.057 349 D HN 0.289 nan 8.370 nan 0.000 0.491 350 P HA -0.034 nan 4.420 nan 0.000 0.239 350 P C 0.654 177.929 177.300 -0.041 0.000 1.184 350 P CA 0.528 63.607 63.100 -0.035 0.000 0.760 350 P CB 0.195 31.873 31.700 -0.036 0.000 0.884 351 L N -1.644 119.557 121.223 -0.037 0.000 3.184 351 L HA 0.354 4.694 4.340 0.000 0.000 0.283 351 L C 1.008 177.845 176.870 -0.055 0.000 1.218 351 L CA 0.189 55.001 54.840 -0.047 0.000 1.028 351 L CB 0.332 42.364 42.059 -0.044 0.000 1.400 351 L HN -0.228 nan 8.230 nan 0.000 0.591 352 D N -0.931 119.442 120.400 -0.045 0.000 2.525 352 D HA 0.150 4.790 4.640 0.000 0.000 0.231 352 D C 0.123 176.407 176.300 -0.027 0.000 1.216 352 D CA 0.304 54.268 54.000 -0.061 0.000 0.813 352 D CB 0.881 41.644 40.800 -0.061 0.000 1.108 352 D HN -0.075 nan 8.370 nan 0.000 0.524 353 S N -0.278 115.422 115.700 -0.000 0.000 2.489 353 S HA 0.620 5.090 4.470 0.000 0.000 0.291 353 S C -0.117 174.499 174.600 0.027 0.000 1.151 353 S CA -0.506 57.721 58.200 0.045 0.000 1.082 353 S CB 1.931 65.161 63.200 0.051 0.000 1.019 353 S HN 0.202 nan 8.310 nan 0.000 0.492 354 T N 0.306 114.899 114.554 0.065 0.000 2.956 354 T HA 0.669 5.019 4.350 0.000 0.000 0.312 354 T C -1.029 173.723 174.700 0.087 0.000 1.151 354 T CA -0.569 61.559 62.100 0.047 0.000 1.024 354 T CB 1.772 70.655 68.868 0.025 0.000 1.140 354 T HN 0.431 nan 8.240 nan 0.000 0.473 355 S N 1.736 117.472 115.700 0.061 0.000 2.542 355 S HA 0.499 4.969 4.470 0.000 0.000 0.293 355 S C 0.924 175.559 174.600 0.058 0.000 1.089 355 S CA -0.816 57.431 58.200 0.078 0.000 0.961 355 S CB 1.947 65.183 63.200 0.060 0.000 1.062 355 S HN 0.879 nan 8.310 nan 0.000 0.483 356 R N 2.198 122.736 120.500 0.065 0.000 2.119 356 R HA 0.136 4.476 4.340 0.000 0.000 0.222 356 R C 1.538 177.860 176.300 0.038 0.000 1.088 356 R CA 1.617 57.747 56.100 0.049 0.000 0.984 356 R CB -0.333 29.997 30.300 0.050 0.000 0.884 356 R HN 0.818 nan 8.270 nan 0.000 0.447 357 I N -1.068 119.525 120.570 0.038 0.000 3.812 357 I HA 0.217 4.387 4.170 0.000 0.000 0.319 357 I C 0.228 176.346 176.117 0.002 0.000 1.353 357 I CA -0.200 61.113 61.300 0.023 0.000 1.170 357 I CB 0.278 38.297 38.000 0.030 0.000 1.057 357 I HN -0.009 nan 8.210 nan 0.000 0.411 358 M N 2.522 122.132 119.600 0.016 0.000 3.422 358 M HA 0.375 4.855 4.480 0.000 0.000 0.248 358 M C -1.048 175.343 176.300 0.151 0.000 1.433 358 M CA -0.091 55.227 55.300 0.030 0.000 1.592 358 M CB -0.917 31.685 32.600 0.004 0.000 1.078 358 M HN 0.204 nan 8.290 nan 0.000 0.578 359 D N 2.626 123.063 120.400 0.062 0.000 2.757 359 D HA 0.466 5.106 4.640 0.000 0.000 0.249 359 D C -2.163 174.068 176.300 -0.115 0.000 1.168 359 D CA -1.844 52.126 54.000 -0.050 0.000 0.870 359 D CB 2.454 43.225 40.800 -0.049 0.000 1.411 359 D HN 0.124 nan 8.370 nan 0.000 0.525 360 P HA -0.114 nan 4.420 nan 0.000 0.218 360 P C 0.263 177.498 177.300 -0.108 0.000 1.148 360 P CA 0.794 63.747 63.100 -0.245 0.000 0.822 360 P CB 0.261 31.700 31.700 -0.435 0.000 0.784 361 N N -0.423 118.208 118.700 -0.114 0.000 2.466 361 N HA 0.094 4.834 4.740 0.000 0.000 0.211 361 N C 1.210 176.702 175.510 -0.030 0.000 1.256 361 N CA 0.451 53.465 53.050 -0.059 0.000 0.840 361 N CB 0.045 38.496 38.487 -0.061 0.000 1.079 361 N HN 0.357 nan 8.380 nan 0.000 0.466 362 I N -1.373 119.186 120.570 -0.019 0.000 5.251 362 I HA -0.069 4.101 4.170 0.000 0.000 0.340 362 I C 0.973 177.104 176.117 0.023 0.000 1.201 362 I CA 0.306 61.608 61.300 0.002 0.000 1.500 362 I CB 0.652 38.650 38.000 -0.003 0.000 1.636 362 I HN -0.075 nan 8.210 nan 0.000 0.561 363 V N -1.526 118.399 119.914 0.019 0.000 3.432 363 V HA 0.692 4.812 4.120 0.000 0.000 0.298 363 V C 0.739 176.914 176.094 0.136 0.000 1.464 363 V CA 0.146 62.485 62.300 0.064 0.000 1.046 363 V CB -0.061 31.668 31.823 -0.157 0.000 0.887 363 V HN 0.419 nan 8.190 nan 0.000 0.441 364 G N 0.757 109.606 108.800 0.082 0.000 2.705 364 G HA2 -0.142 3.818 3.960 0.000 0.000 0.686 364 G HA3 -0.142 3.818 3.960 0.000 0.000 0.686 364 G C 0.207 175.178 174.900 0.119 0.000 1.285 364 G CA -0.082 45.072 45.100 0.090 0.000 0.800 364 G HN 0.441 nan 8.290 nan 0.000 0.611 365 S N -0.129 115.622 115.700 0.084 0.000 2.474 365 S HA -0.044 4.426 4.470 0.000 0.000 0.235 365 S C 1.848 176.541 174.600 0.154 0.000 0.997 365 S CA 1.655 59.917 58.200 0.103 0.000 0.949 365 S CB 0.054 63.286 63.200 0.053 0.000 0.766 365 S HN 0.705 nan 8.310 nan 0.000 0.517 366 E N 0.860 121.146 120.200 0.143 0.000 2.033 366 E HA -0.154 4.196 4.350 0.000 0.000 0.189 366 E C 1.829 178.541 176.600 0.186 0.000 0.979 366 E CA 0.675 57.156 56.400 0.135 0.000 0.802 366 E CB -0.178 29.582 29.700 0.101 0.000 0.763 366 E HN 0.706 nan 8.360 nan 0.000 0.449 367 H N -1.018 118.103 119.070 0.086 0.000 2.340 367 H HA -0.267 4.289 4.556 0.000 0.000 0.294 367 H C 2.171 177.547 175.328 0.081 0.000 1.056 367 H CA 2.052 58.145 56.048 0.074 0.000 1.185 367 H CB -0.368 29.439 29.762 0.075 0.000 1.379 367 H HN 0.239 nan 8.280 nan 0.000 0.540 368 Y N 1.632 121.989 120.300 0.095 0.000 1.967 368 Y HA -0.385 4.165 4.550 0.000 0.000 0.260 368 Y C 2.405 178.324 175.900 0.032 0.000 1.181 368 Y CA 2.357 60.448 58.100 -0.016 0.000 1.097 368 Y CB -0.731 37.705 38.460 -0.040 0.000 0.934 368 Y HN 0.423 nan 8.280 nan 0.000 0.492 369 D N -0.659 119.916 120.400 0.292 0.000 2.203 369 D HA -0.202 4.438 4.640 0.000 0.000 0.199 369 D C 2.248 178.572 176.300 0.040 0.000 0.997 369 D CA 1.689 55.791 54.000 0.170 0.000 0.863 369 D CB -0.437 40.467 40.800 0.172 0.000 0.928 369 D HN 0.336 nan 8.370 nan 0.000 0.458 370 V N 0.543 120.494 119.914 0.062 0.000 2.407 370 V HA -0.131 3.989 4.120 0.000 0.000 0.245 370 V C 2.347 178.429 176.094 -0.020 0.000 1.041 370 V CA 1.436 63.764 62.300 0.047 0.000 1.040 370 V CB -0.620 31.258 31.823 0.092 0.000 0.671 370 V HN 0.204 nan 8.190 nan 0.000 0.455 371 A N 0.353 123.140 122.820 -0.055 0.000 1.841 371 A HA -0.223 4.097 4.320 0.000 0.000 0.216 371 A C 2.314 179.780 177.584 -0.196 0.000 1.199 371 A CA 1.699 53.649 52.037 -0.144 0.000 0.621 371 A CB -0.598 18.299 19.000 -0.171 0.000 0.835 371 A HN 0.365 nan 8.150 nan 0.000 0.445 372 R N -0.463 119.851 120.500 -0.312 0.000 2.139 372 R HA -0.153 4.187 4.340 0.000 0.000 0.243 372 R C 2.234 178.454 176.300 -0.132 0.000 1.145 372 R CA 1.311 57.243 56.100 -0.280 0.000 0.976 372 R CB -1.469 28.582 30.300 -0.414 0.000 0.866 372 R HN 0.599 nan 8.270 nan 0.000 0.449 373 G N 0.016 108.765 108.800 -0.086 0.000 2.408 373 G HA2 -0.157 3.803 3.960 0.000 0.000 0.217 373 G HA3 -0.157 3.803 3.960 0.000 0.000 0.217 373 G C 1.574 176.464 174.900 -0.018 0.000 1.150 373 G CA 0.619 45.702 45.100 -0.029 0.000 0.776 373 G HN 0.178 nan 8.290 nan 0.000 0.542 374 V N 0.338 120.235 119.914 -0.029 0.000 2.307 374 V HA -0.222 3.898 4.120 0.000 0.000 0.245 374 V C 2.823 178.897 176.094 -0.033 0.000 1.045 374 V CA 2.105 64.396 62.300 -0.014 0.000 1.024 374 V CB -0.740 31.037 31.823 -0.077 0.000 0.651 374 V HN 0.370 nan 8.190 nan 0.000 0.449 375 Q N -0.098 119.658 119.800 -0.073 0.000 2.077 375 Q HA -0.307 4.033 4.340 0.000 0.000 0.206 375 Q C 2.391 178.369 176.000 -0.037 0.000 0.989 375 Q CA 2.348 58.112 55.803 -0.065 0.000 0.853 375 Q CB -0.257 28.423 28.738 -0.097 0.000 0.907 375 Q HN 0.595 nan 8.270 nan 0.000 0.418 376 K N 0.754 121.133 120.400 -0.036 0.000 1.978 376 K HA -0.193 4.127 4.320 0.000 0.000 0.214 376 K C 2.046 178.649 176.600 0.005 0.000 1.049 376 K CA 1.547 57.824 56.287 -0.017 0.000 0.939 376 K CB -0.359 32.133 32.500 -0.015 0.000 0.721 376 K HN 0.247 nan 8.250 nan 0.000 0.441 377 I N 1.188 121.765 120.570 0.013 0.000 2.264 377 I HA -0.291 3.879 4.170 0.000 0.000 0.248 377 I C 1.906 178.061 176.117 0.063 0.000 1.111 377 I CA 1.183 62.501 61.300 0.031 0.000 1.382 377 I CB 0.040 38.052 38.000 0.021 0.000 1.060 377 I HN 0.297 nan 8.210 nan 0.000 0.418 378 L N 0.203 121.459 121.223 0.055 0.000 2.056 378 L HA -0.236 4.104 4.340 0.000 0.000 0.207 378 L C 2.619 179.540 176.870 0.085 0.000 1.078 378 L CA 1.361 56.257 54.840 0.093 0.000 0.749 378 L CB -0.746 41.347 42.059 0.056 0.000 0.901 378 L HN 0.342 nan 8.230 nan 0.000 0.433 379 Q N 0.508 120.327 119.800 0.032 0.000 2.084 379 Q HA -0.216 4.124 4.340 0.000 0.000 0.202 379 Q C 1.656 177.661 176.000 0.009 0.000 0.978 379 Q CA 1.872 57.677 55.803 0.004 0.000 0.844 379 Q CB -0.118 28.612 28.738 -0.013 0.000 0.898 379 Q HN 0.380 nan 8.270 nan 0.000 0.426 380 D N -0.880 119.541 120.400 0.034 0.000 2.117 380 D HA -0.158 4.482 4.640 0.000 0.000 0.198 380 D C 1.555 177.894 176.300 0.066 0.000 0.982 380 D CA 1.188 55.210 54.000 0.037 0.000 0.828 380 D CB -0.499 40.326 40.800 0.042 0.000 0.967 380 D HN 0.385 nan 8.370 nan 0.000 0.464 381 Y N 1.850 122.137 120.300 -0.023 0.000 2.224 381 Y HA -0.148 4.402 4.550 0.000 0.000 0.289 381 Y C 2.038 177.923 175.900 -0.025 0.000 1.146 381 Y CA 1.423 59.509 58.100 -0.024 0.000 1.182 381 Y CB -0.117 38.328 38.460 -0.025 0.000 0.983 381 Y HN -0.180 nan 8.280 nan 0.000 0.524 382 K N -0.491 119.772 120.400 -0.228 0.000 2.147 382 K HA -0.137 4.183 4.320 0.000 0.000 0.205 382 K C 2.169 178.638 176.600 -0.219 0.000 1.049 382 K CA 1.383 57.493 56.287 -0.294 0.000 0.936 382 K CB -0.105 32.311 32.500 -0.139 0.000 0.722 382 K HN 0.315 nan 8.250 nan 0.000 0.446 383 S N 1.085 116.707 115.700 -0.131 0.000 2.371 383 S HA -0.018 4.452 4.470 0.000 0.000 0.224 383 S C 1.580 176.125 174.600 -0.092 0.000 1.029 383 S CA 0.799 58.946 58.200 -0.089 0.000 0.978 383 S CB -0.061 63.112 63.200 -0.046 0.000 0.833 383 S HN 0.275 nan 8.310 nan 0.000 0.466 384 L N 1.495 122.666 121.223 -0.087 0.000 2.622 384 L HA 0.027 4.367 4.340 0.000 0.000 0.233 384 L C 2.315 179.120 176.870 -0.108 0.000 1.156 384 L CA 0.450 55.255 54.840 -0.059 0.000 0.866 384 L CB -0.456 41.610 42.059 0.012 0.000 0.980 384 L HN 0.320 nan 8.230 nan 0.000 0.448 385 Q N 0.925 120.607 119.800 -0.196 0.000 2.230 385 Q HA -0.184 4.157 4.340 0.000 0.000 0.202 385 Q C 1.221 177.144 176.000 -0.128 0.000 0.963 385 Q CA 1.618 57.278 55.803 -0.238 0.000 0.866 385 Q CB 0.282 28.811 28.738 -0.349 0.000 0.931 385 Q HN 0.636 nan 8.270 nan 0.000 0.452 386 D N -1.539 118.804 120.400 -0.095 0.000 2.398 386 D HA 0.027 4.667 4.640 0.000 0.000 0.210 386 D C 1.314 177.588 176.300 -0.043 0.000 1.094 386 D CA -0.090 53.872 54.000 -0.063 0.000 0.839 386 D CB -0.076 40.689 40.800 -0.058 0.000 0.963 386 D HN 0.297 nan 8.370 nan 0.000 0.506 387 I N 1.324 121.870 120.570 -0.041 0.000 2.094 387 I HA -0.180 3.990 4.170 0.000 0.000 0.234 387 I C 2.577 178.684 176.117 -0.017 0.000 1.063 387 I CA 1.063 62.349 61.300 -0.024 0.000 1.328 387 I CB -0.220 37.770 38.000 -0.017 0.000 1.058 387 I HN 0.015 nan 8.210 nan 0.000 0.400 388 I N 0.097 120.659 120.570 -0.013 0.000 2.127 388 I HA -0.225 3.945 4.170 0.000 0.000 0.241 388 I C 2.454 178.571 176.117 0.001 0.000 1.075 388 I CA 1.963 63.265 61.300 0.003 0.000 1.334 388 I CB -0.828 37.187 38.000 0.025 0.000 1.040 388 I HN 0.086 nan 8.210 nan 0.000 0.405 389 A N 0.422 123.236 122.820 -0.009 0.000 2.209 389 A HA 0.200 4.521 4.320 0.000 0.000 0.212 389 A C 2.120 179.698 177.584 -0.009 0.000 1.158 389 A CA 0.975 53.008 52.037 -0.006 0.000 0.742 389 A CB -0.606 18.385 19.000 -0.015 0.000 0.790 389 A HN 0.658 nan 8.150 nan 0.000 0.472 390 I N -1.918 118.646 120.570 -0.011 0.000 4.439 390 I HA 0.138 4.308 4.170 0.000 0.000 0.331 390 I C -0.473 175.640 176.117 -0.007 0.000 1.345 390 I CA 0.330 61.624 61.300 -0.010 0.000 1.193 390 I CB 0.927 38.919 38.000 -0.014 0.000 1.221 390 I HN 0.130 nan 8.210 nan 0.000 0.429 391 L N 0.944 122.163 121.223 -0.005 0.000 3.186 391 L HA 0.492 4.832 4.340 0.000 0.000 0.317 391 L C 0.240 177.111 176.870 0.001 0.000 1.296 391 L CA -0.259 54.579 54.840 -0.003 0.000 0.870 391 L CB 0.958 43.014 42.059 -0.005 0.000 1.302 391 L HN 0.100 nan 8.230 nan 0.000 0.590 392 G N 0.487 109.289 108.800 0.003 0.000 3.445 392 G HA2 -0.288 3.672 3.960 0.000 0.000 0.634 392 G HA3 -0.288 3.672 3.960 0.000 0.000 0.634 392 G C 0.500 175.405 174.900 0.010 0.000 0.909 392 G CA 0.254 45.358 45.100 0.006 0.000 0.740 392 G HN 0.316 nan 8.290 nan 0.000 0.441 393 M N 1.706 121.314 119.600 0.014 0.000 2.115 393 M HA -0.068 4.412 4.480 0.000 0.000 0.258 393 M C 1.918 178.229 176.300 0.018 0.000 1.071 393 M CA 2.865 58.177 55.300 0.020 0.000 1.100 393 M CB -0.299 32.315 32.600 0.024 0.000 1.292 393 M HN 0.540 nan 8.290 nan 0.000 0.415 394 D N 0.405 120.813 120.400 0.014 0.000 2.403 394 D HA -0.108 4.532 4.640 0.000 0.000 0.227 394 D C 0.851 177.158 176.300 0.011 0.000 0.995 394 D CA 0.614 54.622 54.000 0.012 0.000 0.928 394 D CB -0.273 40.533 40.800 0.011 0.000 0.887 394 D HN 0.624 nan 8.370 nan 0.000 0.529 395 E N 0.360 120.566 120.200 0.010 0.000 2.494 395 E HA 0.054 4.404 4.350 0.000 0.000 0.193 395 E C 0.907 177.512 176.600 0.009 0.000 1.074 395 E CA 0.068 56.472 56.400 0.008 0.000 0.867 395 E CB 0.633 30.337 29.700 0.006 0.000 0.924 395 E HN 0.386 nan 8.360 nan 0.000 0.502 396 L N 0.849 122.079 121.223 0.012 0.000 2.439 396 L HA 0.138 4.478 4.340 0.000 0.000 0.259 396 L C 1.066 177.943 176.870 0.012 0.000 1.129 396 L CA -0.423 54.426 54.840 0.014 0.000 0.803 396 L CB 0.862 42.934 42.059 0.022 0.000 1.161 396 L HN -0.071 nan 8.230 nan 0.000 0.462 397 S N 0.195 115.902 115.700 0.012 0.000 2.611 397 S HA -0.051 4.419 4.470 0.000 0.000 0.252 397 S C 1.022 175.627 174.600 0.009 0.000 1.369 397 S CA -0.488 57.718 58.200 0.009 0.000 0.975 397 S CB 0.503 63.708 63.200 0.009 0.000 0.937 397 S HN 0.567 nan 8.310 nan 0.000 0.584 398 E N 0.838 121.043 120.200 0.007 0.000 2.086 398 E HA -0.047 4.303 4.350 0.000 0.000 0.190 398 E C 2.050 178.653 176.600 0.006 0.000 0.975 398 E CA 0.601 57.004 56.400 0.006 0.000 0.813 398 E CB -0.277 29.426 29.700 0.005 0.000 0.768 398 E HN 0.481 nan 8.360 nan 0.000 0.457 399 E N 1.031 121.235 120.200 0.006 0.000 2.171 399 E HA -0.185 4.165 4.350 0.000 0.000 0.197 399 E C 1.393 177.998 176.600 0.008 0.000 0.997 399 E CA 1.018 57.422 56.400 0.006 0.000 0.810 399 E CB 0.023 29.727 29.700 0.006 0.000 0.738 399 E HN 0.265 nan 8.360 nan 0.000 0.467 400 D N 0.131 120.539 120.400 0.013 0.000 2.201 400 D HA -0.061 4.579 4.640 0.000 0.000 0.209 400 D C 1.860 178.174 176.300 0.022 0.000 0.961 400 D CA 0.783 54.796 54.000 0.022 0.000 0.861 400 D CB -0.075 40.741 40.800 0.027 0.000 0.997 400 D HN 0.298 nan 8.370 nan 0.000 0.486 401 K N 0.680 121.090 120.400 0.016 0.000 2.281 401 K HA -0.116 4.204 4.320 0.000 0.000 0.203 401 K C 1.966 178.561 176.600 -0.008 0.000 1.046 401 K CA 0.709 57.001 56.287 0.009 0.000 0.938 401 K CB -0.109 32.396 32.500 0.009 0.000 0.737 401 K HN 0.064 nan 8.250 nan 0.000 0.458 402 L N 2.396 123.615 121.223 -0.007 0.000 2.068 402 L HA -0.081 4.259 4.340 0.000 0.000 0.204 402 L C 2.368 179.219 176.870 -0.032 0.000 1.076 402 L CA 2.218 57.047 54.840 -0.019 0.000 0.753 402 L CB -0.743 41.309 42.059 -0.011 0.000 0.910 402 L HN 0.426 nan 8.230 nan 0.000 0.439 403 T N -4.181 110.364 114.554 -0.015 0.000 3.072 403 T HA -0.029 4.321 4.350 0.000 0.000 0.266 403 T C 1.689 176.366 174.700 -0.039 0.000 1.127 403 T CA 1.046 63.137 62.100 -0.015 0.000 1.107 403 T CB -0.621 68.256 68.868 0.014 0.000 0.910 403 T HN 0.125 nan 8.240 nan 0.000 0.513 404 V N 1.725 121.612 119.914 -0.045 0.000 2.300 404 V HA -0.092 4.028 4.120 0.000 0.000 0.241 404 V C 3.017 178.956 176.094 -0.258 0.000 1.034 404 V CA 1.615 63.826 62.300 -0.148 0.000 1.021 404 V CB -0.901 30.909 31.823 -0.022 0.000 0.662 404 V HN 0.669 nan 8.190 nan 0.000 0.458 405 S N 0.971 116.583 115.700 -0.148 0.000 2.401 405 S HA -0.367 4.103 4.470 0.000 0.000 0.236 405 S C 2.152 176.639 174.600 -0.189 0.000 1.058 405 S CA 2.531 60.645 58.200 -0.142 0.000 1.151 405 S CB -0.527 62.626 63.200 -0.079 0.000 1.049 405 S HN 0.559 nan 8.310 nan 0.000 0.432 406 R N 1.192 121.596 120.500 -0.159 0.000 2.091 406 R HA -0.023 4.317 4.340 0.000 0.000 0.238 406 R C 2.811 178.988 176.300 -0.206 0.000 1.136 406 R CA 1.290 57.284 56.100 -0.176 0.000 0.959 406 R CB -0.926 29.307 30.300 -0.111 0.000 0.856 406 R HN 0.615 nan 8.270 nan 0.000 0.437 407 A N 1.549 124.241 122.820 -0.212 0.000 1.865 407 A HA -0.199 4.121 4.320 0.000 0.000 0.217 407 A C 2.166 179.577 177.584 -0.288 0.000 1.191 407 A CA 1.412 53.316 52.037 -0.223 0.000 0.623 407 A CB -0.469 18.372 19.000 -0.265 0.000 0.826 407 A HN 0.222 nan 8.150 nan 0.000 0.444 408 R N -0.373 119.870 120.500 -0.427 0.000 2.127 408 R HA -0.128 4.212 4.340 0.000 0.000 0.238 408 R C 2.225 178.388 176.300 -0.228 0.000 1.134 408 R CA 1.711 57.610 56.100 -0.335 0.000 0.975 408 R CB -0.224 29.872 30.300 -0.340 0.000 0.865 408 R HN 0.562 nan 8.270 nan 0.000 0.447 409 K N 0.520 120.738 120.400 -0.304 0.000 1.973 409 K HA -0.095 4.226 4.320 0.000 0.000 0.212 409 K C 2.048 178.425 176.600 -0.373 0.000 1.047 409 K CA 1.462 57.445 56.287 -0.507 0.000 0.937 409 K CB -0.240 31.735 32.500 -0.876 0.000 0.721 409 K HN 0.069 nan 8.250 nan 0.000 0.440 410 I N 1.502 121.921 120.570 -0.252 0.000 2.181 410 I HA -0.410 3.760 4.170 0.000 0.000 0.247 410 I C 2.807 179.016 176.117 0.154 0.000 1.081 410 I CA 1.585 62.907 61.300 0.036 0.000 1.340 410 I CB -0.405 37.660 38.000 0.109 0.000 1.036 410 I HN 0.398 nan 8.210 nan 0.000 0.417 411 Q N 0.782 120.601 119.800 0.032 0.000 2.224 411 Q HA -0.172 4.168 4.340 0.000 0.000 0.203 411 Q C 2.258 178.291 176.000 0.055 0.000 0.970 411 Q CA 1.256 57.086 55.803 0.045 0.000 0.865 411 Q CB 0.169 28.901 28.738 -0.009 0.000 0.922 411 Q HN 0.492 nan 8.270 nan 0.000 0.445 412 R N -0.985 119.549 120.500 0.056 0.000 2.128 412 R HA 0.007 4.347 4.340 0.000 0.000 0.211 412 R C 1.924 178.375 176.300 0.252 0.000 1.067 412 R CA 0.529 56.692 56.100 0.105 0.000 1.010 412 R CB -0.161 30.190 30.300 0.084 0.000 0.922 412 R HN 0.184 nan 8.270 nan 0.000 0.457 413 F N 1.619 121.624 119.950 0.091 0.000 2.449 413 F HA -0.060 4.467 4.527 0.000 0.000 0.299 413 F C 1.454 177.344 175.800 0.150 0.000 1.092 413 F CA 0.928 58.984 58.000 0.094 0.000 1.446 413 F CB -0.048 38.891 39.000 -0.100 0.000 1.084 413 F HN -0.071 nan 8.300 nan 0.000 0.567 414 L N -0.279 121.027 121.223 0.139 0.000 2.478 414 L HA -0.013 4.327 4.340 0.000 0.000 0.223 414 L C 1.437 178.331 176.870 0.040 0.000 1.140 414 L CA 0.357 55.273 54.840 0.126 0.000 0.842 414 L CB -0.538 41.615 42.059 0.157 0.000 0.953 414 L HN 0.142 nan 8.230 nan 0.000 0.452 415 S N -0.996 114.745 115.700 0.068 0.000 2.614 415 S HA 0.402 4.872 4.470 0.000 0.000 0.265 415 S C -0.305 174.315 174.600 0.033 0.000 1.303 415 S CA -0.597 57.650 58.200 0.078 0.000 1.000 415 S CB 1.729 65.061 63.200 0.220 0.000 0.935 415 S HN 0.203 nan 8.310 nan 0.000 0.551 416 Q N 0.339 120.152 119.800 0.022 0.000 2.284 416 Q HA 0.414 4.754 4.340 0.000 0.000 0.269 416 Q C -3.040 173.004 176.000 0.074 0.000 1.026 416 Q CA -2.091 53.751 55.803 0.065 0.000 0.831 416 Q CB 2.447 31.300 28.738 0.191 0.000 1.322 416 Q HN 0.433 nan 8.270 nan 0.000 0.419 417 P HA 0.092 nan 4.420 nan 0.000 0.276 417 P C -1.087 176.390 177.300 0.294 0.000 1.264 417 P CA 0.432 63.594 63.100 0.103 0.000 0.769 417 P CB 0.085 31.814 31.700 0.048 0.000 0.840 418 F N 1.618 121.604 119.950 0.061 0.000 2.389 418 F HA 0.126 4.653 4.527 0.000 0.000 0.337 418 F C 2.153 177.992 175.800 0.065 0.000 1.112 418 F CA -0.470 57.570 58.000 0.067 0.000 1.192 418 F CB 1.319 40.370 39.000 0.084 0.000 1.185 418 F HN 0.369 nan 8.300 nan 0.000 0.552 419 Q N 1.853 121.730 119.800 0.128 0.000 2.167 419 Q HA -0.128 4.212 4.340 0.000 0.000 0.202 419 Q C 1.670 177.717 176.000 0.079 0.000 0.970 419 Q CA 1.241 57.085 55.803 0.069 0.000 0.855 419 Q CB 0.125 28.864 28.738 0.002 0.000 0.911 419 Q HN 0.648 nan 8.270 nan 0.000 0.438 420 V N -1.253 118.725 119.914 0.108 0.000 3.623 420 V HA 0.300 4.420 4.120 0.000 0.000 0.271 420 V C 0.990 177.193 176.094 0.182 0.000 1.248 420 V CA 1.078 63.448 62.300 0.117 0.000 1.156 420 V CB 0.273 32.163 31.823 0.111 0.000 0.870 420 V HN 0.335 nan 8.190 nan 0.000 0.453 421 A N -0.644 122.325 122.820 0.248 0.000 2.538 421 A HA 0.363 4.683 4.320 0.000 0.000 0.269 421 A C 1.516 179.213 177.584 0.188 0.000 1.231 421 A CA 0.310 52.547 52.037 0.334 0.000 0.948 421 A CB -0.124 19.110 19.000 0.391 0.000 1.110 421 A HN 0.560 nan 8.150 nan 0.000 0.529 422 E N -0.291 119.962 120.200 0.087 0.000 2.130 422 E HA -0.195 4.155 4.350 0.000 0.000 0.196 422 E C 1.915 178.489 176.600 -0.043 0.000 0.998 422 E CA 1.427 57.854 56.400 0.045 0.000 0.806 422 E CB -0.292 29.421 29.700 0.021 0.000 0.738 422 E HN 0.494 nan 8.360 nan 0.000 0.459 423 V N 0.307 120.103 119.914 -0.196 0.000 2.453 423 V HA -0.294 3.826 4.120 0.000 0.000 0.252 423 V C 1.520 177.380 176.094 -0.390 0.000 1.068 423 V CA 1.821 63.893 62.300 -0.380 0.000 1.070 423 V CB -0.357 31.090 31.823 -0.627 0.000 0.664 423 V HN 0.209 nan 8.190 nan 0.000 0.461 424 F N 1.089 121.036 119.950 -0.005 0.000 2.202 424 F HA 0.084 4.611 4.527 0.000 0.000 0.279 424 F C 2.819 178.624 175.800 0.009 0.000 1.077 424 F CA 1.362 59.349 58.000 -0.021 0.000 1.193 424 F CB -1.509 37.441 39.000 -0.083 0.000 1.090 424 F HN 0.256 nan 8.300 nan 0.000 0.516 425 T N -1.030 113.673 114.554 0.249 0.000 2.428 425 T HA -0.062 4.288 4.350 0.000 0.000 0.248 425 T C 1.915 176.740 174.700 0.208 0.000 1.284 425 T CA 2.064 64.295 62.100 0.217 0.000 1.217 425 T CB -1.226 67.769 68.868 0.211 0.000 0.864 425 T HN 0.764 nan 8.240 nan 0.000 0.402 426 G N -0.063 108.827 108.800 0.149 0.000 2.318 426 G HA2 -0.028 3.932 3.960 0.000 0.000 0.172 426 G HA3 -0.028 3.932 3.960 0.000 0.000 0.172 426 G C -0.141 174.666 174.900 -0.155 0.000 1.002 426 G CA 0.101 45.186 45.100 -0.024 0.000 0.697 426 G HN 0.992 nan 8.290 nan 0.000 0.483 427 H N -0.395 118.670 119.070 -0.008 0.000 2.529 427 H HA 0.715 5.271 4.556 0.000 0.000 0.348 427 H C 0.093 175.425 175.328 0.006 0.000 1.152 427 H CA -0.931 55.110 56.048 -0.012 0.000 1.202 427 H CB 1.673 31.417 29.762 -0.031 0.000 1.562 427 H HN 0.194 nan 8.280 nan 0.000 0.515 428 L N 1.822 123.114 121.223 0.116 0.000 2.456 428 L HA 0.246 4.586 4.340 0.000 0.000 0.272 428 L C 1.203 178.128 176.870 0.092 0.000 1.189 428 L CA 0.481 55.366 54.840 0.075 0.000 0.846 428 L CB 0.071 42.157 42.059 0.045 0.000 1.111 428 L HN 0.908 nan 8.230 nan 0.000 0.475 429 G N 3.378 112.225 108.800 0.079 0.000 2.939 429 G HA2 0.181 4.141 3.960 0.000 0.000 0.257 429 G HA3 0.181 4.141 3.960 0.000 0.000 0.257 429 G C -0.175 174.771 174.900 0.076 0.000 1.259 429 G CA -0.129 45.023 45.100 0.087 0.000 0.928 429 G HN 0.661 nan 8.290 nan 0.000 0.615 430 K N -2.036 118.410 120.400 0.076 0.000 2.680 430 K HA 0.648 4.968 4.320 0.000 0.000 0.295 430 K C -1.544 175.086 176.600 0.049 0.000 1.052 430 K CA -0.712 55.613 56.287 0.063 0.000 0.863 430 K CB 1.695 34.239 32.500 0.073 0.000 1.549 430 K HN 0.722 nan 8.250 nan 0.000 0.391 431 L N 0.352 121.601 121.223 0.044 0.000 3.481 431 L HA 0.307 4.647 4.340 0.000 0.000 0.267 431 L C -1.882 175.010 176.870 0.038 0.000 0.972 431 L CA -0.594 54.264 54.840 0.030 0.000 1.150 431 L CB 1.436 43.500 42.059 0.009 0.000 1.902 431 L HN 0.276 nan 8.230 nan 0.000 0.561 432 V N 5.089 125.028 119.914 0.042 0.000 2.448 432 V HA 0.572 4.692 4.120 0.000 0.000 0.295 432 V C -2.173 173.947 176.094 0.044 0.000 1.025 432 V CA -1.694 60.636 62.300 0.050 0.000 0.859 432 V CB 1.729 33.588 31.823 0.061 0.000 0.988 432 V HN 0.580 nan 8.190 nan 0.000 0.431 433 P HA 0.132 nan 4.420 nan 0.000 0.271 433 P C 0.776 178.096 177.300 0.032 0.000 1.216 433 P CA -0.381 62.740 63.100 0.036 0.000 0.771 433 P CB 0.815 32.536 31.700 0.036 0.000 0.864 434 L N 4.661 125.893 121.223 0.015 0.000 2.054 434 L HA -0.268 4.072 4.340 0.000 0.000 0.220 434 L C 1.712 178.566 176.870 -0.026 0.000 1.081 434 L CA 2.125 56.954 54.840 -0.019 0.000 0.780 434 L CB -1.058 40.980 42.059 -0.034 0.000 0.893 434 L HN 0.323 nan 8.230 nan 0.000 0.438 435 K N -0.815 119.584 120.400 -0.002 0.000 2.365 435 K HA -0.090 4.230 4.320 0.000 0.000 0.199 435 K C 1.842 178.471 176.600 0.047 0.000 1.045 435 K CA 1.061 57.352 56.287 0.008 0.000 0.962 435 K CB 0.028 32.538 32.500 0.018 0.000 0.759 435 K HN 0.578 nan 8.250 nan 0.000 0.469 436 E N -0.610 119.630 120.200 0.067 0.000 2.442 436 E HA -0.037 4.313 4.350 0.000 0.000 0.195 436 E C 1.185 177.888 176.600 0.171 0.000 1.030 436 E CA 0.584 57.047 56.400 0.105 0.000 0.869 436 E CB 0.467 30.225 29.700 0.096 0.000 0.857 436 E HN 0.255 nan 8.360 nan 0.000 0.505 437 T N 1.338 115.990 114.554 0.163 0.000 2.781 437 T HA -0.011 4.339 4.350 0.000 0.000 0.252 437 T C 2.026 176.936 174.700 0.350 0.000 1.039 437 T CA 0.385 62.650 62.100 0.274 0.000 1.147 437 T CB -0.099 68.864 68.868 0.157 0.000 0.865 437 T HN 0.077 nan 8.240 nan 0.000 0.423 438 I N 1.616 122.268 120.570 0.136 0.000 2.145 438 I HA -0.290 3.880 4.170 0.000 0.000 0.244 438 I C 2.681 178.909 176.117 0.185 0.000 1.075 438 I CA 1.707 63.069 61.300 0.104 0.000 1.332 438 I CB -0.607 37.372 38.000 -0.036 0.000 1.033 438 I HN 0.276 nan 8.210 nan 0.000 0.410 439 K N 1.142 121.633 120.400 0.152 0.000 2.026 439 K HA -0.148 4.172 4.320 0.000 0.000 0.208 439 K C 2.184 178.884 176.600 0.166 0.000 1.048 439 K CA 1.633 58.001 56.287 0.134 0.000 0.929 439 K CB -0.398 32.163 32.500 0.102 0.000 0.713 439 K HN 0.367 nan 8.250 nan 0.000 0.439 440 G N 0.635 109.565 108.800 0.217 0.000 2.491 440 G HA2 -0.258 3.702 3.960 0.000 0.000 0.218 440 G HA3 -0.258 3.702 3.960 0.000 0.000 0.218 440 G C 1.291 176.233 174.900 0.069 0.000 1.180 440 G CA 0.993 46.184 45.100 0.152 0.000 0.774 440 G HN 0.267 nan 8.290 nan 0.000 0.562 441 F N 0.499 120.603 119.950 0.256 0.000 2.084 441 F HA -0.006 4.521 4.527 0.000 0.000 0.296 441 F C 2.921 178.774 175.800 0.088 0.000 1.111 441 F CA 1.578 59.690 58.000 0.187 0.000 1.224 441 F CB -0.754 38.350 39.000 0.173 0.000 0.991 441 F HN 0.170 nan 8.300 nan 0.000 0.471 442 Q N 0.387 120.343 119.800 0.260 0.000 2.142 442 Q HA -0.343 3.997 4.340 0.000 0.000 0.213 442 Q C 2.080 178.122 176.000 0.071 0.000 1.004 442 Q CA 2.498 58.384 55.803 0.137 0.000 0.883 442 Q CB -0.190 28.614 28.738 0.109 0.000 0.939 442 Q HN 0.539 nan 8.270 nan 0.000 0.413 443 Q N -0.030 119.801 119.800 0.052 0.000 1.942 443 Q HA -0.165 4.175 4.340 0.000 0.000 0.203 443 Q C 2.271 178.234 176.000 -0.061 0.000 0.987 443 Q CA 1.902 57.685 55.803 -0.034 0.000 0.844 443 Q CB -0.303 28.424 28.738 -0.019 0.000 0.911 443 Q HN 0.494 nan 8.270 nan 0.000 0.423 444 I N 0.930 121.498 120.570 -0.004 0.000 2.182 444 I HA -0.370 3.800 4.170 0.000 0.000 0.248 444 I C 2.399 178.486 176.117 -0.050 0.000 1.073 444 I CA 1.328 62.607 61.300 -0.036 0.000 1.335 444 I CB -0.557 37.350 38.000 -0.156 0.000 1.031 444 I HN 0.263 nan 8.210 nan 0.000 0.420 445 L N 0.535 121.761 121.223 0.005 0.000 2.083 445 L HA -0.182 4.158 4.340 0.000 0.000 0.209 445 L C 2.704 179.568 176.870 -0.011 0.000 1.083 445 L CA 1.350 56.200 54.840 0.016 0.000 0.752 445 L CB -0.456 41.640 42.059 0.062 0.000 0.899 445 L HN 0.285 nan 8.230 nan 0.000 0.433 446 A N -0.795 122.011 122.820 -0.024 0.000 2.209 446 A HA 0.138 4.458 4.320 0.000 0.000 0.212 446 A C 1.591 179.140 177.584 -0.058 0.000 1.158 446 A CA 0.927 52.942 52.037 -0.037 0.000 0.742 446 A CB -0.469 18.506 19.000 -0.043 0.000 0.790 446 A HN 0.580 nan 8.150 nan 0.000 0.472 447 G N -0.948 107.806 108.800 -0.077 0.000 2.130 447 G HA2 -0.206 3.754 3.960 0.000 0.000 0.216 447 G HA3 -0.206 3.754 3.960 0.000 0.000 0.216 447 G C 0.289 175.124 174.900 -0.108 0.000 0.999 447 G CA 0.433 45.489 45.100 -0.073 0.000 0.686 447 G HN 0.566 nan 8.290 nan 0.000 0.515 448 E N -1.164 118.897 120.200 -0.231 0.000 2.474 448 E HA 0.218 4.568 4.350 0.000 0.000 0.194 448 E C 0.742 177.009 176.600 -0.554 0.000 1.041 448 E CA 0.256 56.419 56.400 -0.396 0.000 0.874 448 E CB 0.169 29.510 29.700 -0.600 0.000 0.914 448 E HN 0.758 nan 8.360 nan 0.000 0.498 449 Y N -0.484 119.744 120.300 -0.120 0.000 2.719 449 Y HA 0.109 4.660 4.550 0.000 0.000 0.251 449 Y C 0.469 176.164 175.900 -0.342 0.000 1.159 449 Y CA -0.672 57.222 58.100 -0.342 0.000 1.166 449 Y CB 0.782 39.203 38.460 -0.065 0.000 1.219 449 Y HN -0.057 nan 8.280 nan 0.000 0.551 450 D N -0.166 120.192 120.400 -0.070 0.000 2.403 450 D HA -0.166 4.475 4.640 0.000 0.000 0.227 450 D C 1.781 178.101 176.300 0.033 0.000 0.995 450 D CA 1.226 55.219 54.000 -0.012 0.000 0.928 450 D CB -0.173 40.636 40.800 0.014 0.000 0.887 450 D HN 0.649 nan 8.370 nan 0.000 0.529 451 H N -0.698 118.438 119.070 0.110 0.000 2.476 451 H HA 0.136 4.692 4.556 0.000 0.000 0.292 451 H C 0.905 176.290 175.328 0.095 0.000 1.019 451 H CA -0.200 55.900 56.048 0.085 0.000 1.330 451 H CB -0.287 29.516 29.762 0.069 0.000 1.451 451 H HN 0.049 nan 8.280 nan 0.000 0.535 452 L N 3.313 124.480 121.223 -0.095 0.000 2.485 452 L HA 0.173 4.514 4.340 0.000 0.000 0.275 452 L C -2.098 174.826 176.870 0.089 0.000 1.207 452 L CA -1.789 53.054 54.840 0.005 0.000 0.855 452 L CB 0.161 42.133 42.059 -0.145 0.000 1.114 452 L HN 0.114 nan 8.230 nan 0.000 0.485 453 P HA 0.164 nan 4.420 nan 0.000 0.278 453 P C 0.299 177.694 177.300 0.159 0.000 1.266 453 P CA -0.622 62.533 63.100 0.092 0.000 0.807 453 P CB 0.769 32.504 31.700 0.057 0.000 1.094 454 E N -0.001 120.280 120.200 0.136 0.000 2.035 454 E HA -0.273 4.077 4.350 0.000 0.000 0.204 454 E C 1.809 178.559 176.600 0.250 0.000 1.025 454 E CA 1.421 57.923 56.400 0.171 0.000 0.835 454 E CB -0.281 29.462 29.700 0.070 0.000 0.764 454 E HN 0.428 nan 8.360 nan 0.000 0.457 455 Q N -0.412 119.484 119.800 0.161 0.000 2.376 455 Q HA -0.156 4.184 4.340 0.000 0.000 0.211 455 Q C 1.863 177.956 176.000 0.155 0.000 0.986 455 Q CA 1.140 57.057 55.803 0.190 0.000 0.886 455 Q CB -0.381 28.449 28.738 0.154 0.000 0.927 455 Q HN 0.290 nan 8.270 nan 0.000 0.457 456 A N -0.449 122.392 122.820 0.036 0.000 2.121 456 A HA -0.056 4.264 4.320 0.000 0.000 0.218 456 A C 1.347 178.733 177.584 -0.329 0.000 1.154 456 A CA 0.680 52.589 52.037 -0.213 0.000 0.679 456 A CB -0.393 18.351 19.000 -0.428 0.000 0.795 456 A HN 0.279 nan 8.150 nan 0.000 0.458 457 F N -2.966 116.997 119.950 0.022 0.000 2.717 457 F HA 0.207 4.734 4.527 0.000 0.000 0.295 457 F C 0.695 176.627 175.800 0.219 0.000 1.117 457 F CA -0.657 57.399 58.000 0.093 0.000 1.361 457 F CB -0.195 38.834 39.000 0.049 0.000 1.112 457 F HN 0.237 nan 8.300 nan 0.000 0.594 458 Y N 2.568 122.980 120.300 0.186 0.000 2.754 458 Y HA 0.221 4.771 4.550 0.000 0.000 0.349 458 Y C 0.662 176.565 175.900 0.006 0.000 1.179 458 Y CA -1.031 57.123 58.100 0.090 0.000 1.538 458 Y CB -0.461 38.036 38.460 0.062 0.000 1.200 458 Y HN 0.266 nan 8.280 nan 0.000 0.522 459 M N 4.493 124.108 119.600 0.026 0.000 2.505 459 M HA -0.160 4.320 4.480 0.000 0.000 0.194 459 M C -1.525 174.655 176.300 -0.200 0.000 0.771 459 M CA 1.087 56.217 55.300 -0.283 0.000 0.553 459 M CB -1.153 30.921 32.600 -0.877 0.000 1.354 459 M HN 0.466 nan 8.290 nan 0.000 0.874 460 V N -1.560 118.345 119.914 -0.016 0.000 3.155 460 V HA 1.112 5.232 4.120 0.000 0.000 0.313 460 V C 0.712 176.842 176.094 0.059 0.000 1.162 460 V CA 0.025 62.336 62.300 0.019 0.000 1.048 460 V CB 1.676 33.524 31.823 0.040 0.000 1.092 460 V HN 0.496 nan 8.190 nan 0.000 0.447 461 G N 0.232 109.074 108.800 0.070 0.000 3.199 461 G HA2 0.470 4.431 3.960 0.000 0.000 0.184 461 G HA3 0.470 4.431 3.960 0.000 0.000 0.184 461 G C -2.453 172.526 174.900 0.131 0.000 1.974 461 G CA -0.538 44.606 45.100 0.073 0.000 0.885 461 G HN 0.699 nan 8.290 nan 0.000 0.575 462 P HA 0.129 nan 4.420 nan 0.000 0.269 462 P C 0.882 178.294 177.300 0.187 0.000 1.209 462 P CA -0.494 62.702 63.100 0.160 0.000 0.776 462 P CB 0.985 32.741 31.700 0.093 0.000 0.876 463 I N 2.698 123.395 120.570 0.212 0.000 2.236 463 I HA -0.314 3.856 4.170 0.000 0.000 0.249 463 I C 1.548 177.570 176.117 -0.158 0.000 1.102 463 I CA 2.009 63.294 61.300 -0.025 0.000 1.365 463 I CB -0.621 37.317 38.000 -0.104 0.000 1.051 463 I HN 0.356 nan 8.210 nan 0.000 0.420 464 E N 0.270 120.429 120.200 -0.068 0.000 2.153 464 E HA -0.267 4.083 4.350 0.000 0.000 0.194 464 E C 2.069 178.595 176.600 -0.125 0.000 0.988 464 E CA 1.362 57.704 56.400 -0.098 0.000 0.811 464 E CB -0.316 29.367 29.700 -0.029 0.000 0.746 464 E HN 0.636 nan 8.360 nan 0.000 0.466 465 E N -0.364 119.793 120.200 -0.071 0.000 2.463 465 E HA -0.123 4.227 4.350 0.000 0.000 0.201 465 E C 1.494 178.017 176.600 -0.129 0.000 1.045 465 E CA 0.622 56.984 56.400 -0.063 0.000 0.872 465 E CB 0.058 29.756 29.700 -0.004 0.000 0.797 465 E HN 0.307 nan 8.360 nan 0.000 0.538 466 A N -0.361 122.313 122.820 -0.244 0.000 1.956 466 A HA -0.011 4.309 4.320 0.000 0.000 0.212 466 A C 2.157 179.445 177.584 -0.493 0.000 1.188 466 A CA 0.434 52.206 52.037 -0.442 0.000 0.675 466 A CB -0.053 18.492 19.000 -0.758 0.000 0.845 466 A HN 0.186 nan 8.150 nan 0.000 0.455 467 V N 0.352 119.997 119.914 -0.449 0.000 2.594 467 V HA -0.205 3.915 4.120 0.000 0.000 0.253 467 V C 2.828 178.804 176.094 -0.195 0.000 1.069 467 V CA 1.615 63.714 62.300 -0.334 0.000 1.082 467 V CB -1.549 30.133 31.823 -0.235 0.000 0.680 467 V HN 0.552 nan 8.190 nan 0.000 0.469 468 A N 0.525 123.246 122.820 -0.164 0.000 1.835 468 A HA -0.244 4.076 4.320 0.000 0.000 0.215 468 A C 2.307 179.832 177.584 -0.099 0.000 1.199 468 A CA 2.062 54.038 52.037 -0.101 0.000 0.615 468 A CB -0.575 18.381 19.000 -0.073 0.000 0.838 468 A HN 0.461 nan 8.150 nan 0.000 0.444 469 K N -0.218 120.110 120.400 -0.120 0.000 2.442 469 K HA -0.055 4.265 4.320 0.000 0.000 0.199 469 K C 1.746 178.277 176.600 -0.114 0.000 1.044 469 K CA 0.872 57.099 56.287 -0.099 0.000 0.941 469 K CB -0.262 32.177 32.500 -0.102 0.000 0.759 469 K HN 0.438 nan 8.250 nan 0.000 0.472 470 A N 0.714 123.439 122.820 -0.158 0.000 2.066 470 A HA -0.107 4.213 4.320 0.000 0.000 0.218 470 A C 1.019 178.563 177.584 -0.065 0.000 1.157 470 A CA 1.571 53.523 52.037 -0.143 0.000 0.670 470 A CB 0.004 18.889 19.000 -0.191 0.000 0.804 470 A HN 0.336 nan 8.150 nan 0.000 0.453 471 D N -1.277 119.090 120.400 -0.054 0.000 2.514 471 D HA 0.014 4.655 4.640 0.000 0.000 0.249 471 D C 1.731 178.018 176.300 -0.022 0.000 1.036 471 D CA 0.746 54.730 54.000 -0.027 0.000 0.911 471 D CB -0.347 40.438 40.800 -0.024 0.000 1.145 471 D HN 0.403 nan 8.370 nan 0.000 0.495 472 K N 1.090 121.473 120.400 -0.028 0.000 2.113 472 K HA -0.087 4.233 4.320 0.000 0.000 0.208 472 K C 1.722 178.316 176.600 -0.011 0.000 1.047 472 K CA 0.826 57.102 56.287 -0.019 0.000 0.928 472 K CB 0.055 32.543 32.500 -0.021 0.000 0.716 472 K HN 0.105 nan 8.250 nan 0.000 0.446 473 L N 0.171 121.386 121.223 -0.013 0.000 2.209 473 L HA -0.024 4.316 4.340 0.000 0.000 0.207 473 L C 2.352 179.223 176.870 0.003 0.000 1.094 473 L CA 0.786 55.625 54.840 -0.000 0.000 0.790 473 L CB -0.717 41.343 42.059 0.002 0.000 0.932 473 L HN 0.268 nan 8.230 nan 0.000 0.447 474 A N 0.238 123.056 122.820 -0.002 0.000 2.213 474 A HA -0.090 4.230 4.320 0.000 0.000 0.192 474 A C 0.918 178.504 177.584 0.003 0.000 1.296 474 A CA 1.051 53.090 52.037 0.003 0.000 0.703 474 A CB -0.209 18.793 19.000 0.002 0.000 0.941 474 A HN 0.272 nan 8.150 nan 0.000 0.517 475 E N 0.000 120.200 120.200 0.001 0.000 2.725 475 E HA 0.000 4.350 4.350 0.000 0.000 0.291 475 E CA 0.000 56.400 56.400 0.001 0.000 0.976 475 E CB 0.000 29.701 29.700 0.001 0.000 0.812 475 E HN 0.000 nan 8.360 nan 0.000 0.440