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_O 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 KADKLA 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 0.000 174.587 174.700 -0.189 0.000 1.109 9 T CA 0.000 62.010 62.100 -0.150 0.000 1.349 9 T CB 0.000 68.763 68.868 -0.176 0.000 0.612 10 T N -0.415 114.067 114.554 -0.122 0.000 2.823 10 T HA 0.777 5.127 4.350 0.000 0.000 0.279 10 T C 0.199 174.938 174.700 0.066 0.000 0.998 10 T CA 0.248 62.324 62.100 -0.041 0.000 0.994 10 T CB 0.794 69.667 68.868 0.008 0.000 0.960 10 T HN 1.331 nan 8.240 nan 0.000 0.448 11 G N 3.111 112.082 108.800 0.284 0.000 2.574 11 G HA2 0.691 4.651 3.960 0.000 0.000 0.299 11 G HA3 0.691 4.651 3.960 0.000 0.000 0.299 11 G C -1.358 173.703 174.900 0.268 0.000 1.298 11 G CA -0.905 44.539 45.100 0.573 0.000 0.952 11 G HN 0.766 nan 8.290 nan 0.000 0.477 12 R N -0.497 120.080 120.500 0.127 0.000 2.664 12 R HA 0.522 4.862 4.340 0.000 0.000 0.286 12 R C -0.207 176.072 176.300 -0.035 0.000 0.967 12 R CA -0.714 55.410 56.100 0.040 0.000 0.933 12 R CB 2.176 32.496 30.300 0.034 0.000 1.146 12 R HN 0.401 nan 8.270 nan 0.000 0.468 13 I N 3.410 123.962 120.570 -0.030 0.000 2.396 13 I HA 0.022 4.192 4.170 0.000 0.000 0.289 13 I C 1.123 177.213 176.117 -0.045 0.000 1.056 13 I CA -0.164 61.104 61.300 -0.054 0.000 1.365 13 I CB 1.255 39.233 38.000 -0.036 0.000 1.407 13 I HN 0.532 nan 8.210 nan 0.000 0.509 14 V N 3.692 123.571 119.914 -0.059 0.000 2.795 14 V HA 0.342 4.462 4.120 0.000 0.000 0.243 14 V C 0.823 176.894 176.094 -0.039 0.000 1.069 14 V CA 0.298 62.572 62.300 -0.044 0.000 1.089 14 V CB -0.413 31.381 31.823 -0.049 0.000 0.756 14 V HN 0.735 nan 8.190 nan 0.000 0.471 15 A N 1.040 123.832 122.820 -0.047 0.000 2.398 15 A HA 0.796 5.116 4.320 0.000 0.000 0.301 15 A C -0.794 176.766 177.584 -0.039 0.000 1.041 15 A CA -0.322 51.691 52.037 -0.039 0.000 0.711 15 A CB 2.006 20.982 19.000 -0.040 0.000 1.240 15 A HN 0.856 nan 8.150 nan 0.000 0.420 16 V N -0.045 119.851 119.914 -0.030 0.000 2.735 16 V HA 0.919 5.039 4.120 0.000 0.000 0.310 16 V C -0.883 175.198 176.094 -0.023 0.000 1.061 16 V CA -0.833 61.451 62.300 -0.027 0.000 0.913 16 V CB 1.529 33.338 31.823 -0.023 0.000 1.005 16 V HN 0.928 nan 8.190 nan 0.000 0.428 17 I N 3.241 123.798 120.570 -0.022 0.000 2.610 17 I HA 0.805 4.975 4.170 0.000 0.000 0.289 17 I C 0.710 176.816 176.117 -0.018 0.000 1.163 17 I CA 1.281 62.570 61.300 -0.018 0.000 1.044 17 I CB 1.402 39.391 38.000 -0.018 0.000 1.251 17 I HN 1.369 nan 8.210 nan 0.000 0.424 18 G N 5.731 114.522 108.800 -0.015 0.000 2.698 18 G HA2 -0.290 3.671 3.960 0.000 0.000 0.337 18 G HA3 -0.290 3.671 3.960 0.000 0.000 0.337 18 G C 0.786 175.677 174.900 -0.015 0.000 1.286 18 G CA 0.800 45.892 45.100 -0.013 0.000 1.000 18 G HN 1.623 nan 8.290 nan 0.000 0.547 19 A N -0.898 121.912 122.820 -0.016 0.000 2.415 19 A HA 0.639 4.959 4.320 0.000 0.000 0.248 19 A C 0.476 178.047 177.584 -0.021 0.000 1.299 19 A CA 0.989 53.016 52.037 -0.016 0.000 0.899 19 A CB 0.220 19.211 19.000 -0.015 0.000 0.997 19 A HN 1.225 nan 8.150 nan 0.000 0.506 20 V N 1.193 121.093 119.914 -0.024 0.000 2.384 20 V HA 0.407 4.527 4.120 0.000 0.000 0.287 20 V C -0.663 175.410 176.094 -0.036 0.000 1.020 20 V CA -0.371 61.911 62.300 -0.031 0.000 0.850 20 V CB 1.665 33.469 31.823 -0.031 0.000 0.987 20 V HN 0.171 nan 8.190 nan 0.000 0.436 21 V N 4.076 123.964 119.914 -0.044 0.000 2.628 21 V HA 0.595 4.715 4.120 0.000 0.000 0.306 21 V C -0.790 175.258 176.094 -0.077 0.000 1.045 21 V CA -0.853 61.415 62.300 -0.053 0.000 0.905 21 V CB 2.210 34.003 31.823 -0.049 0.000 0.997 21 V HN 0.717 nan 8.190 nan 0.000 0.436 22 D N 2.844 123.193 120.400 -0.085 0.000 2.440 22 D HA 0.527 5.167 4.640 0.000 0.000 0.239 22 D C -0.514 175.696 176.300 -0.150 0.000 1.084 22 D CA 0.023 53.956 54.000 -0.112 0.000 0.843 22 D CB 2.062 42.812 40.800 -0.085 0.000 1.097 22 D HN 0.493 nan 8.370 nan 0.000 0.531 23 V N 0.668 120.438 119.914 -0.239 0.000 2.513 23 V HA 0.554 4.674 4.120 0.000 0.000 0.299 23 V C -0.123 175.672 176.094 -0.498 0.000 1.035 23 V CA -1.005 61.080 62.300 -0.358 0.000 0.889 23 V CB 1.975 33.519 31.823 -0.466 0.000 0.988 23 V HN 0.311 nan 8.190 nan 0.000 0.440 24 Q N 2.699 122.273 119.800 -0.375 0.000 2.245 24 Q HA 0.638 4.978 4.340 0.000 0.000 0.256 24 Q C -1.697 174.210 176.000 -0.155 0.000 0.942 24 Q CA -0.513 55.138 55.803 -0.253 0.000 0.896 24 Q CB 1.723 30.413 28.738 -0.081 0.000 1.272 24 Q HN 0.805 nan 8.270 nan 0.000 0.442 25 F N 3.148 123.105 119.950 0.012 0.000 2.496 25 F HA 0.198 4.725 4.527 0.000 0.000 0.341 25 F C 0.106 175.916 175.800 0.016 0.000 1.134 25 F CA -0.921 57.088 58.000 0.015 0.000 0.968 25 F CB 1.768 40.782 39.000 0.023 0.000 1.205 25 F HN 0.712 nan 8.300 nan 0.000 0.436 26 D N 1.583 122.111 120.400 0.213 0.000 2.084 26 D HA -0.115 4.525 4.640 0.000 0.000 0.194 26 D C -0.202 176.151 176.300 0.087 0.000 0.990 26 D CA 1.542 55.609 54.000 0.112 0.000 0.826 26 D CB 0.217 41.062 40.800 0.075 0.000 0.971 26 D HN 0.490 nan 8.370 nan 0.000 0.453 27 E N -1.240 118.996 120.200 0.059 0.000 2.266 27 E HA 0.533 4.883 4.350 0.000 0.000 0.268 27 E C -0.481 176.105 176.600 -0.022 0.000 0.879 27 E CA -0.698 55.715 56.400 0.021 0.000 0.762 27 E CB 2.261 31.959 29.700 -0.003 0.000 1.199 27 E HN 0.149 nan 8.360 nan 0.000 0.422 28 G N 2.179 110.975 108.800 -0.006 0.000 2.487 28 G HA2 -0.228 3.732 3.960 0.000 0.000 0.243 28 G HA3 -0.228 3.732 3.960 0.000 0.000 0.243 28 G C -0.830 174.051 174.900 -0.031 0.000 0.918 28 G CA -0.496 44.583 45.100 -0.035 0.000 1.260 28 G HN 0.212 nan 8.290 nan 0.000 0.408 29 L N 4.368 125.664 121.223 0.121 0.000 2.349 29 L HA 0.552 4.892 4.340 0.000 0.000 0.275 29 L C -1.401 175.619 176.870 0.251 0.000 1.115 29 L CA -1.590 53.440 54.840 0.317 0.000 0.820 29 L CB 0.894 43.184 42.059 0.385 0.000 1.135 29 L HN 0.318 nan 8.230 nan 0.000 0.445 30 P HA 0.259 nan 4.420 nan 0.000 0.275 30 P C -2.552 174.887 177.300 0.231 0.000 1.227 30 P CA -1.271 61.940 63.100 0.185 0.000 0.781 30 P CB 0.006 31.825 31.700 0.198 0.000 0.906 31 P HA 0.050 nan 4.420 nan 0.000 0.268 31 P C 0.052 177.443 177.300 0.152 0.000 1.208 31 P CA 0.157 63.367 63.100 0.183 0.000 0.777 31 P CB 0.250 32.002 31.700 0.086 0.000 0.875 32 I N 3.467 124.146 120.570 0.182 0.000 2.671 32 I HA -0.061 4.109 4.170 0.000 0.000 0.285 32 I C 1.247 177.346 176.117 -0.031 0.000 1.148 32 I CA 1.072 62.392 61.300 0.034 0.000 1.386 32 I CB -0.591 37.444 38.000 0.059 0.000 1.406 32 I HN 0.436 nan 8.210 nan 0.000 0.540 33 L N 3.573 124.756 121.223 -0.067 0.000 1.580 33 L HA -0.135 4.205 4.340 0.000 0.000 0.495 33 L C -0.180 176.670 176.870 -0.033 0.000 0.771 33 L CA -0.215 54.549 54.840 -0.127 0.000 2.313 33 L CB -0.811 41.129 42.059 -0.199 0.000 1.173 33 L HN 0.557 nan 8.230 nan 0.000 0.517 34 N N 2.191 120.894 118.700 0.004 0.000 2.420 34 N HA 0.459 5.199 4.740 0.000 0.000 0.262 34 N C 0.399 175.932 175.510 0.039 0.000 1.144 34 N CA 0.824 53.893 53.050 0.032 0.000 0.952 34 N CB 1.228 39.744 38.487 0.048 0.000 1.081 34 N HN 0.277 nan 8.380 nan 0.000 0.480 35 A N 3.973 126.818 122.820 0.043 0.000 2.537 35 A HA 0.137 4.457 4.320 0.000 0.000 0.260 35 A C 0.504 178.112 177.584 0.039 0.000 1.082 35 A CA -0.009 52.051 52.037 0.038 0.000 0.765 35 A CB -0.304 18.712 19.000 0.027 0.000 1.019 35 A HN 0.656 nan 8.150 nan 0.000 0.507 36 L N 1.782 123.034 121.223 0.047 0.000 2.469 36 L HA 0.522 4.862 4.340 0.000 0.000 0.253 36 L C 0.424 177.318 176.870 0.041 0.000 1.143 36 L CA -0.558 54.321 54.840 0.066 0.000 0.804 36 L CB 0.575 42.694 42.059 0.100 0.000 1.214 36 L HN 0.603 nan 8.230 nan 0.000 0.476 37 E N 0.922 121.148 120.200 0.045 0.000 2.265 37 E HA 0.282 4.632 4.350 0.000 0.000 0.262 37 E C -1.251 175.368 176.600 0.032 0.000 0.889 37 E CA -0.456 55.960 56.400 0.026 0.000 0.789 37 E CB 2.507 32.215 29.700 0.014 0.000 1.221 37 E HN 0.177 nan 8.360 nan 0.000 0.414 38 V N 3.364 123.292 119.914 0.024 0.000 2.614 38 V HA 0.046 4.166 4.120 0.000 0.000 0.291 38 V C 0.428 176.533 176.094 0.018 0.000 1.049 38 V CA -0.176 62.138 62.300 0.023 0.000 1.038 38 V CB 0.934 32.765 31.823 0.014 0.000 0.980 38 V HN 0.462 nan 8.190 nan 0.000 0.481 39 Q N 3.457 123.270 119.800 0.021 0.000 2.431 39 Q HA 0.542 4.882 4.340 0.000 0.000 0.249 39 Q C 0.690 176.699 176.000 0.013 0.000 1.025 39 Q CA 0.326 56.139 55.803 0.017 0.000 0.835 39 Q CB 1.371 30.122 28.738 0.020 0.000 1.207 39 Q HN 1.110 nan 8.270 nan 0.000 0.490 40 G N 2.597 111.402 108.800 0.009 0.000 3.800 40 G HA2 -0.064 3.896 3.960 0.000 0.000 0.221 40 G HA3 -0.064 3.896 3.960 0.000 0.000 0.221 40 G C -0.119 174.784 174.900 0.005 0.000 0.893 40 G CA -0.606 44.499 45.100 0.007 0.000 0.986 40 G HN 0.409 nan 8.290 nan 0.000 0.719 41 R N 0.260 120.763 120.500 0.004 0.000 2.795 41 R HA 0.527 4.867 4.340 0.000 0.000 0.275 41 R C -0.169 176.132 176.300 0.002 0.000 0.981 41 R CA -0.911 55.190 56.100 0.002 0.000 0.917 41 R CB 1.218 31.519 30.300 0.002 0.000 1.202 41 R HN 0.136 nan 8.270 nan 0.000 0.469 42 E N 0.765 120.966 120.200 0.001 0.000 2.461 42 E HA 0.005 4.355 4.350 0.000 0.000 0.196 42 E C -0.463 176.137 176.600 -0.000 0.000 1.129 42 E CA 0.313 56.713 56.400 0.001 0.000 0.902 42 E CB 0.028 29.728 29.700 0.001 0.000 0.963 42 E HN 0.629 nan 8.360 nan 0.000 0.503 43 T N -1.288 113.265 114.554 -0.001 0.000 3.237 43 T HA 0.223 4.573 4.350 0.000 0.000 0.319 43 T C -0.397 174.301 174.700 -0.003 0.000 1.037 43 T CA -0.961 61.137 62.100 -0.002 0.000 1.048 43 T CB 1.672 70.539 68.868 -0.002 0.000 1.081 43 T HN 0.012 nan 8.240 nan 0.000 0.455 44 R N 2.195 122.692 120.500 -0.005 0.000 2.561 44 R HA 0.098 4.438 4.340 0.000 0.000 0.347 44 R C -0.554 175.743 176.300 -0.005 0.000 0.916 44 R CA -0.331 55.765 56.100 -0.007 0.000 1.063 44 R CB -0.169 30.124 30.300 -0.013 0.000 0.916 44 R HN 0.535 nan 8.270 nan 0.000 0.410 45 L N 7.093 128.315 121.223 -0.002 0.000 2.494 45 L HA 0.227 4.567 4.340 0.000 0.000 0.251 45 L C -0.883 175.989 176.870 0.002 0.000 1.119 45 L CA -0.509 54.331 54.840 -0.000 0.000 1.026 45 L CB 1.093 43.152 42.059 0.001 0.000 1.370 45 L HN 0.255 nan 8.230 nan 0.000 0.426 46 V N 4.700 124.615 119.914 0.001 0.000 2.540 46 V HA 0.068 4.188 4.120 0.000 0.000 0.297 46 V C 0.847 176.946 176.094 0.009 0.000 1.024 46 V CA 0.035 62.338 62.300 0.005 0.000 1.105 46 V CB 0.113 31.937 31.823 0.001 0.000 0.938 46 V HN 0.507 nan 8.190 nan 0.000 0.482 47 L N 3.846 125.077 121.223 0.013 0.000 2.365 47 L HA 0.712 5.052 4.340 0.000 0.000 0.267 47 L C 0.157 177.037 176.870 0.018 0.000 1.033 47 L CA -0.583 54.262 54.840 0.009 0.000 0.802 47 L CB 1.324 43.383 42.059 0.000 0.000 1.267 47 L HN 0.714 nan 8.230 nan 0.000 0.457 48 E N 0.525 120.732 120.200 0.011 0.000 2.302 48 E HA 0.282 4.632 4.350 0.000 0.000 0.263 48 E C -1.537 175.055 176.600 -0.014 0.000 0.897 48 E CA -0.563 55.848 56.400 0.019 0.000 0.809 48 E CB 2.252 31.985 29.700 0.054 0.000 1.270 48 E HN 0.294 nan 8.360 nan 0.000 0.410 49 V N 3.594 123.492 119.914 -0.027 0.000 2.694 49 V HA 0.134 4.254 4.120 0.000 0.000 0.306 49 V C 0.849 176.892 176.094 -0.085 0.000 1.054 49 V CA 1.549 63.803 62.300 -0.077 0.000 1.161 49 V CB 1.073 32.842 31.823 -0.089 0.000 0.916 49 V HN 0.880 nan 8.190 nan 0.000 0.490 50 A N 4.689 127.450 122.820 -0.098 0.000 2.340 50 A HA 0.372 4.692 4.320 0.000 0.000 0.213 50 A C 0.543 178.079 177.584 -0.079 0.000 1.299 50 A CA -0.044 51.946 52.037 -0.077 0.000 0.994 50 A CB 0.479 19.448 19.000 -0.050 0.000 1.132 50 A HN 0.732 nan 8.150 nan 0.000 0.519 51 Q N 0.004 119.730 119.800 -0.124 0.000 2.379 51 Q HA 0.365 4.705 4.340 0.000 0.000 0.278 51 Q C -1.674 174.197 176.000 -0.215 0.000 1.068 51 Q CA -0.696 55.046 55.803 -0.102 0.000 0.816 51 Q CB 1.829 30.535 28.738 -0.053 0.000 1.387 51 Q HN 0.527 nan 8.270 nan 0.000 0.413 52 H N 3.277 122.339 119.070 -0.012 0.000 2.641 52 H HA 0.208 4.764 4.556 0.000 0.000 0.295 52 H C 0.636 175.956 175.328 -0.014 0.000 1.070 52 H CA -0.034 56.008 56.048 -0.010 0.000 1.257 52 H CB 0.884 30.648 29.762 0.004 0.000 1.393 52 H HN 0.532 nan 8.280 nan 0.000 0.464 53 L N 2.154 123.406 121.223 0.047 0.000 2.478 53 L HA 0.082 4.422 4.340 0.000 0.000 0.223 53 L C 1.401 178.293 176.870 0.037 0.000 1.140 53 L CA 0.603 55.458 54.840 0.024 0.000 0.842 53 L CB -0.244 41.808 42.059 -0.011 0.000 0.953 53 L HN 0.819 nan 8.230 nan 0.000 0.452 54 G N 0.488 109.327 108.800 0.066 0.000 2.627 54 G HA2 -0.244 3.716 3.960 0.000 0.000 0.214 54 G HA3 -0.244 3.716 3.960 0.000 0.000 0.214 54 G C 0.110 175.032 174.900 0.036 0.000 1.331 54 G CA -0.271 44.859 45.100 0.050 0.000 0.891 54 G HN 0.369 nan 8.290 nan 0.000 0.539 55 E N -0.844 119.372 120.200 0.027 0.000 2.325 55 E HA -0.190 4.160 4.350 0.000 0.000 0.232 55 E C 0.801 177.419 176.600 0.030 0.000 1.276 55 E CA 0.912 57.325 56.400 0.022 0.000 0.717 55 E CB -1.478 28.229 29.700 0.011 0.000 1.192 55 E HN 1.862 nan 8.360 nan 0.000 0.380 56 S N -0.671 115.061 115.700 0.053 0.000 3.447 56 S HA -0.199 4.271 4.470 0.000 0.000 0.371 56 S C -0.139 174.485 174.600 0.039 0.000 0.951 56 S CA 1.326 59.576 58.200 0.084 0.000 1.269 56 S CB -0.725 62.533 63.200 0.096 0.000 0.919 56 S HN 0.430 nan 8.310 nan 0.000 0.516 57 T N 0.733 115.289 114.554 0.004 0.000 2.909 57 T HA 0.685 5.035 4.350 0.000 0.000 0.299 57 T C 0.081 174.718 174.700 -0.106 0.000 1.073 57 T CA -0.506 61.536 62.100 -0.096 0.000 0.999 57 T CB 1.971 70.788 68.868 -0.084 0.000 1.098 57 T HN 0.468 nan 8.240 nan 0.000 0.477 58 V N 0.395 120.173 119.914 -0.227 0.000 2.960 58 V HA 0.810 4.930 4.120 0.000 0.000 0.315 58 V C -0.489 175.480 176.094 -0.209 0.000 1.087 58 V CA -1.422 60.729 62.300 -0.249 0.000 0.982 58 V CB 1.972 33.598 31.823 -0.328 0.000 1.039 58 V HN 0.880 nan 8.190 nan 0.000 0.437 59 R N 1.349 121.742 120.500 -0.177 0.000 2.494 59 R HA 0.764 5.104 4.340 0.000 0.000 0.305 59 R C -0.603 175.629 176.300 -0.114 0.000 0.959 59 R CA 0.097 56.122 56.100 -0.126 0.000 0.864 59 R CB 1.796 32.043 30.300 -0.088 0.000 1.159 59 R HN 1.118 nan 8.270 nan 0.000 0.446 60 T N 1.750 116.249 114.554 -0.091 0.000 2.907 60 T HA 0.495 4.845 4.350 0.000 0.000 0.292 60 T C 0.087 174.761 174.700 -0.044 0.000 1.043 60 T CA -0.828 61.233 62.100 -0.066 0.000 1.003 60 T CB 1.412 70.243 68.868 -0.062 0.000 1.084 60 T HN 0.439 nan 8.240 nan 0.000 0.483 61 I N 2.329 122.883 120.570 -0.027 0.000 2.312 61 I HA 0.525 4.695 4.170 0.000 0.000 0.290 61 I C 1.125 177.238 176.117 -0.007 0.000 1.008 61 I CA -0.902 60.389 61.300 -0.016 0.000 1.226 61 I CB 0.990 38.986 38.000 -0.006 0.000 1.371 61 I HN 0.968 nan 8.210 nan 0.000 0.468 62 A N 7.543 130.357 122.820 -0.010 0.000 2.433 62 A HA 0.269 4.589 4.320 0.000 0.000 0.250 62 A C 0.748 178.333 177.584 0.002 0.000 1.113 62 A CA 0.416 52.450 52.037 -0.005 0.000 0.794 62 A CB 0.231 19.227 19.000 -0.008 0.000 1.067 62 A HN 0.785 nan 8.150 nan 0.000 0.510 63 M N -0.020 119.581 119.600 0.003 0.000 2.504 63 M HA 0.301 4.781 4.480 0.000 0.000 0.370 63 M C -0.411 175.891 176.300 0.002 0.000 1.110 63 M CA 0.258 55.560 55.300 0.004 0.000 0.938 63 M CB -0.338 32.266 32.600 0.006 0.000 1.460 63 M HN 0.801 nan 8.290 nan 0.000 0.535 64 D N -0.845 119.555 120.400 -0.000 0.000 2.738 64 D HA 0.306 4.946 4.640 0.000 0.000 0.308 64 D C -0.570 175.729 176.300 -0.003 0.000 1.311 64 D CA -0.117 53.883 54.000 -0.001 0.000 0.799 64 D CB 1.763 42.563 40.800 -0.001 0.000 1.332 64 D HN 0.182 nan 8.370 nan 0.000 0.441 65 G N -0.653 108.145 108.800 -0.002 0.000 2.464 65 G HA2 0.267 4.227 3.960 0.000 0.000 0.231 65 G HA3 0.267 4.227 3.960 0.000 0.000 0.231 65 G C 0.761 175.658 174.900 -0.004 0.000 1.267 65 G CA 0.989 46.087 45.100 -0.003 0.000 0.863 65 G HN 0.369 nan 8.290 nan 0.000 0.559 66 T N -1.629 112.921 114.554 -0.006 0.000 3.145 66 T HA 0.186 4.536 4.350 0.000 0.000 0.281 66 T C 0.615 175.311 174.700 -0.006 0.000 1.003 66 T CA 0.040 62.136 62.100 -0.007 0.000 0.901 66 T CB 0.042 68.904 68.868 -0.010 0.000 1.112 66 T HN 0.656 nan 8.240 nan 0.000 0.535 67 E N 1.428 121.625 120.200 -0.005 0.000 2.437 67 E HA 0.336 4.686 4.350 0.000 0.000 0.263 67 E C 1.264 177.861 176.600 -0.004 0.000 1.030 67 E CA 0.862 57.260 56.400 -0.005 0.000 0.934 67 E CB 0.052 29.750 29.700 -0.003 0.000 0.943 67 E HN 0.525 nan 8.360 nan 0.000 0.444 68 G N 2.574 111.372 108.800 -0.004 0.000 2.729 68 G HA2 -0.299 3.661 3.960 0.000 0.000 0.216 68 G HA3 -0.299 3.661 3.960 0.000 0.000 0.216 68 G C 0.499 175.397 174.900 -0.003 0.000 1.252 68 G CA -0.008 45.090 45.100 -0.003 0.000 0.751 68 G HN 0.532 nan 8.290 nan 0.000 0.527 69 L N 1.158 122.378 121.223 -0.005 0.000 2.654 69 L HA 0.233 4.573 4.340 0.000 0.000 0.309 69 L C 0.645 177.511 176.870 -0.006 0.000 1.267 69 L CA 0.624 55.461 54.840 -0.006 0.000 0.866 69 L CB 0.129 42.182 42.059 -0.009 0.000 1.108 69 L HN 0.265 nan 8.230 nan 0.000 0.516 70 V N 2.462 122.373 119.914 -0.006 0.000 2.962 70 V HA 0.361 4.481 4.120 0.000 0.000 0.313 70 V C -0.070 176.019 176.094 -0.008 0.000 1.099 70 V CA -1.050 61.247 62.300 -0.006 0.000 0.971 70 V CB 2.079 33.901 31.823 -0.003 0.000 1.028 70 V HN 0.657 nan 8.190 nan 0.000 0.430 71 R N 2.387 122.881 120.500 -0.009 0.000 2.446 71 R HA 0.472 4.812 4.340 0.000 0.000 0.325 71 R C 0.907 177.203 176.300 -0.006 0.000 0.997 71 R CA 0.896 56.989 56.100 -0.011 0.000 1.010 71 R CB -0.288 30.006 30.300 -0.011 0.000 0.946 71 R HN 1.170 nan 8.270 nan 0.000 0.422 72 G N 2.006 110.804 108.800 -0.004 0.000 1.954 72 G HA2 -0.225 3.735 3.960 0.000 0.000 0.169 72 G HA3 -0.225 3.735 3.960 0.000 0.000 0.169 72 G C -0.820 174.084 174.900 0.007 0.000 1.013 72 G CA -0.364 44.737 45.100 0.003 0.000 1.258 72 G HN 0.627 nan 8.290 nan 0.000 0.442 73 Q N 0.452 120.258 119.800 0.009 0.000 3.186 73 Q HA -0.126 4.214 4.340 0.000 0.000 0.035 73 Q C -0.222 175.793 176.000 0.024 0.000 1.684 73 Q CA 1.149 56.959 55.803 0.013 0.000 0.260 73 Q CB 0.110 28.852 28.738 0.007 0.000 0.588 73 Q HN 0.567 nan 8.270 nan 0.000 0.324 74 K N 2.205 122.625 120.400 0.032 0.000 2.126 74 K HA 0.606 4.926 4.320 0.000 0.000 0.257 74 K C -0.529 176.110 176.600 0.065 0.000 1.007 74 K CA -0.475 55.844 56.287 0.053 0.000 0.928 74 K CB 1.360 33.887 32.500 0.045 0.000 1.013 74 K HN 0.366 nan 8.250 nan 0.000 0.473 75 V N 2.527 122.508 119.914 0.112 0.000 2.733 75 V HA 0.377 4.497 4.120 0.000 0.000 0.306 75 V C -0.563 175.617 176.094 0.142 0.000 1.084 75 V CA -1.001 61.377 62.300 0.130 0.000 0.905 75 V CB 1.798 33.719 31.823 0.163 0.000 1.010 75 V HN 0.510 nan 8.190 nan 0.000 0.424 76 L N 2.640 123.910 121.223 0.078 0.000 2.296 76 L HA 0.596 4.936 4.340 0.000 0.000 0.286 76 L C -0.052 176.829 176.870 0.019 0.000 1.023 76 L CA -0.561 54.292 54.840 0.022 0.000 0.812 76 L CB 1.268 43.329 42.059 0.003 0.000 1.223 76 L HN 0.549 nan 8.230 nan 0.000 0.421 77 D N 1.390 121.757 120.400 -0.054 0.000 2.443 77 D HA -0.035 4.605 4.640 0.000 0.000 0.239 77 D C 0.970 177.257 176.300 -0.020 0.000 1.136 77 D CA 0.192 54.169 54.000 -0.038 0.000 0.879 77 D CB 1.502 42.221 40.800 -0.135 0.000 1.195 77 D HN 0.595 nan 8.370 nan 0.000 0.443 78 S N 2.249 117.950 115.700 0.002 0.000 2.556 78 S HA 0.199 4.669 4.470 0.000 0.000 0.216 78 S C 1.628 176.228 174.600 -0.001 0.000 0.970 78 S CA 0.672 58.871 58.200 -0.002 0.000 0.912 78 S CB -0.256 62.944 63.200 0.000 0.000 0.790 78 S HN 0.886 nan 8.310 nan 0.000 0.504 79 G N 0.531 109.330 108.800 -0.002 0.000 2.196 79 G HA2 -0.116 3.844 3.960 0.000 0.000 0.268 79 G HA3 -0.116 3.844 3.960 0.000 0.000 0.268 79 G C 0.251 175.161 174.900 0.016 0.000 0.975 79 G CA 0.299 45.401 45.100 0.002 0.000 0.648 79 G HN 1.532 nan 8.290 nan 0.000 0.538 80 A N -0.915 121.917 122.820 0.020 0.000 2.566 80 A HA 0.917 5.237 4.320 0.000 0.000 0.292 80 A C -2.636 174.970 177.584 0.036 0.000 1.112 80 A CA -1.100 50.955 52.037 0.029 0.000 0.707 80 A CB 1.240 20.257 19.000 0.029 0.000 1.302 80 A HN 0.042 nan 8.150 nan 0.000 0.409 81 P HA 0.068 nan 4.420 nan 0.000 0.271 81 P C -0.379 176.960 177.300 0.065 0.000 1.228 81 P CA 0.220 63.374 63.100 0.090 0.000 0.797 81 P CB 0.215 31.994 31.700 0.133 0.000 0.914 82 I N 1.208 121.829 120.570 0.087 0.000 2.587 82 I HA 0.004 4.174 4.170 0.000 0.000 0.284 82 I C 1.300 177.410 176.117 -0.011 0.000 1.134 82 I CA 0.844 62.156 61.300 0.020 0.000 1.410 82 I CB -0.101 37.908 38.000 0.015 0.000 1.392 82 I HN 0.150 nan 8.210 nan 0.000 0.545 83 R N 7.116 127.576 120.500 -0.066 0.000 2.670 83 R HA 0.752 5.092 4.340 0.000 0.000 0.289 83 R C -0.850 175.331 176.300 -0.199 0.000 0.965 83 R CA -0.698 55.345 56.100 -0.096 0.000 0.899 83 R CB 1.860 32.108 30.300 -0.087 0.000 1.173 83 R HN 0.626 nan 8.270 nan 0.000 0.456 84 I N -1.043 119.442 120.570 -0.141 0.000 3.042 84 I HA 0.656 4.826 4.170 0.000 0.000 0.310 84 I C -2.643 173.485 176.117 0.017 0.000 1.117 84 I CA -3.354 57.866 61.300 -0.132 0.000 1.003 84 I CB 2.509 40.477 38.000 -0.055 0.000 1.228 84 I HN 0.361 nan 8.210 nan 0.000 0.443 85 P HA 0.073 nan 4.420 nan 0.000 0.262 85 P C -0.584 176.765 177.300 0.081 0.000 1.182 85 P CA 0.155 63.394 63.100 0.233 0.000 0.761 85 P CB 0.706 32.484 31.700 0.130 0.000 0.795 86 V N 1.739 121.637 119.914 -0.027 0.000 3.160 86 V HA 0.981 5.101 4.120 0.000 0.000 0.310 86 V C -0.208 175.532 176.094 -0.590 0.000 1.181 86 V CA 0.186 62.331 62.300 -0.260 0.000 1.047 86 V CB 1.662 33.327 31.823 -0.264 0.000 1.068 86 V HN 0.921 nan 8.190 nan 0.000 0.441 87 G N 3.181 111.325 108.800 -1.094 0.000 2.373 87 G HA2 0.049 4.009 3.960 0.000 0.000 0.634 87 G HA3 0.049 4.009 3.960 0.000 0.000 0.634 87 G C -2.941 171.662 174.900 -0.495 0.000 1.267 87 G CA -0.022 44.403 45.100 -1.125 0.000 1.008 87 G HN 0.711 nan 8.290 nan 0.000 0.497 88 P HA 0.129 nan 4.420 nan 0.000 0.240 88 P C 1.230 178.562 177.300 0.053 0.000 1.190 88 P CA 1.202 64.293 63.100 -0.015 0.000 0.781 88 P CB 0.173 31.869 31.700 -0.006 0.000 0.931 89 E N -0.059 120.136 120.200 -0.009 0.000 2.438 89 E HA -0.035 4.315 4.350 0.000 0.000 0.192 89 E C 0.766 177.393 176.600 0.044 0.000 1.110 89 E CA 0.913 57.325 56.400 0.020 0.000 0.893 89 E CB -1.076 28.620 29.700 -0.006 0.000 0.990 89 E HN 0.314 nan 8.360 nan 0.000 0.490 90 T N -1.581 113.018 114.554 0.075 0.000 3.046 90 T HA 0.118 4.468 4.350 0.000 0.000 0.242 90 T C 1.110 175.874 174.700 0.107 0.000 1.018 90 T CA -0.381 61.775 62.100 0.093 0.000 1.131 90 T CB -0.492 68.444 68.868 0.113 0.000 0.904 90 T HN 0.068 nan 8.240 nan 0.000 0.459 91 L N 2.845 124.150 121.223 0.136 0.000 2.706 91 L HA 0.312 4.652 4.340 0.000 0.000 0.282 91 L C 1.706 178.648 176.870 0.120 0.000 1.219 91 L CA 1.309 56.219 54.840 0.117 0.000 0.935 91 L CB -0.489 41.669 42.059 0.165 0.000 1.204 91 L HN 0.694 nan 8.230 nan 0.000 0.491 92 G N 1.557 110.430 108.800 0.122 0.000 2.232 92 G HA2 -0.193 3.767 3.960 0.000 0.000 0.226 92 G HA3 -0.193 3.767 3.960 0.000 0.000 0.226 92 G C 0.313 175.314 174.900 0.169 0.000 0.996 92 G CA -0.589 44.599 45.100 0.146 0.000 0.626 92 G HN 0.438 nan 8.290 nan 0.000 0.509 93 R N 0.196 120.769 120.500 0.121 0.000 2.540 93 R HA 0.694 5.034 4.340 0.000 0.000 0.287 93 R C 0.033 176.363 176.300 0.050 0.000 0.980 93 R CA -0.856 55.298 56.100 0.090 0.000 0.966 93 R CB 1.076 31.418 30.300 0.070 0.000 1.106 93 R HN 0.304 nan 8.270 nan 0.000 0.480 94 I N 4.152 124.708 120.570 -0.023 0.000 2.315 94 I HA 0.313 4.483 4.170 0.000 0.000 0.291 94 I C 0.600 176.713 176.117 -0.006 0.000 1.006 94 I CA -0.375 60.897 61.300 -0.047 0.000 1.265 94 I CB 0.992 38.850 38.000 -0.237 0.000 1.387 94 I HN 0.404 nan 8.210 nan 0.000 0.475 95 M N 6.478 126.099 119.600 0.034 0.000 2.535 95 M HA 0.482 4.962 4.480 0.000 0.000 0.314 95 M C -0.891 175.431 176.300 0.038 0.000 1.153 95 M CA -0.645 54.670 55.300 0.025 0.000 0.924 95 M CB 2.062 34.676 32.600 0.023 0.000 1.710 95 M HN 0.608 nan 8.290 nan 0.000 0.451 96 N N 1.524 120.237 118.700 0.021 0.000 2.443 96 N HA 0.248 4.988 4.740 0.000 0.000 0.294 96 N C 0.918 176.432 175.510 0.007 0.000 1.289 96 N CA -0.511 52.554 53.050 0.024 0.000 0.966 96 N CB 0.973 39.468 38.487 0.014 0.000 1.122 96 N HN 0.713 nan 8.380 nan 0.000 0.569 97 V N -0.647 119.269 119.914 0.003 0.000 2.490 97 V HA -0.132 3.988 4.120 0.000 0.000 0.250 97 V C 1.734 177.811 176.094 -0.028 0.000 1.061 97 V CA 1.481 63.774 62.300 -0.013 0.000 1.064 97 V CB -1.055 30.765 31.823 -0.005 0.000 0.670 97 V HN 0.690 nan 8.190 nan 0.000 0.461 98 I N -2.225 118.328 120.570 -0.028 0.000 3.861 98 I HA 0.654 4.824 4.170 0.000 0.000 0.329 98 I C 1.588 177.667 176.117 -0.063 0.000 1.321 98 I CA 0.478 61.751 61.300 -0.045 0.000 1.126 98 I CB -0.240 37.736 38.000 -0.040 0.000 1.018 98 I HN 0.422 nan 8.210 nan 0.000 0.407 99 G N 1.318 110.090 108.800 -0.046 0.000 2.317 99 G HA2 -0.264 3.697 3.960 0.000 0.000 0.227 99 G HA3 -0.264 3.697 3.960 0.000 0.000 0.227 99 G C 0.137 175.018 174.900 -0.031 0.000 1.042 99 G CA 0.005 45.077 45.100 -0.047 0.000 0.623 99 G HN 0.585 nan 8.290 nan 0.000 0.509 100 E N 2.147 122.326 120.200 -0.035 0.000 2.696 100 E HA 0.229 4.580 4.350 0.000 0.000 0.270 100 E C -2.318 174.277 176.600 -0.007 0.000 0.958 100 E CA -0.154 56.234 56.400 -0.020 0.000 0.964 100 E CB 0.411 30.099 29.700 -0.020 0.000 0.948 100 E HN 0.330 nan 8.360 nan 0.000 0.472 101 P HA 0.200 nan 4.420 nan 0.000 0.285 101 P C -0.108 177.187 177.300 -0.008 0.000 1.269 101 P CA -0.294 62.807 63.100 0.002 0.000 0.844 101 P CB 0.646 32.353 31.700 0.013 0.000 1.094 102 I N -2.008 118.548 120.570 -0.023 0.000 4.026 102 I HA 0.281 4.451 4.170 0.000 0.000 0.324 102 I C -0.066 176.007 176.117 -0.073 0.000 1.474 102 I CA -0.223 61.052 61.300 -0.041 0.000 1.107 102 I CB 0.237 38.209 38.000 -0.047 0.000 1.345 102 I HN 0.027 nan 8.210 nan 0.000 0.531 103 D N 0.815 121.179 120.400 -0.060 0.000 2.358 103 D HA 0.016 4.657 4.640 0.000 0.000 0.224 103 D C 0.441 176.763 176.300 0.036 0.000 1.123 103 D CA -0.200 53.773 54.000 -0.046 0.000 0.833 103 D CB -0.161 40.616 40.800 -0.038 0.000 0.946 103 D HN 0.436 nan 8.370 nan 0.000 0.505 104 E N -0.085 120.127 120.200 0.019 0.000 2.494 104 E HA -0.275 4.075 4.350 0.000 0.000 0.249 104 E C -0.292 176.333 176.600 0.042 0.000 1.184 104 E CA 0.343 56.760 56.400 0.029 0.000 0.727 104 E CB -1.012 28.708 29.700 0.033 0.000 1.281 104 E HN 0.419 nan 8.360 nan 0.000 0.405 105 R N 0.216 120.744 120.500 0.046 0.000 3.463 105 R HA 0.325 4.665 4.340 0.000 0.000 0.303 105 R C 0.772 177.095 176.300 0.040 0.000 1.370 105 R CA 0.231 56.362 56.100 0.051 0.000 1.524 105 R CB 0.855 31.198 30.300 0.072 0.000 1.389 105 R HN 0.319 nan 8.270 nan 0.000 0.640 106 G N 2.359 111.178 108.800 0.031 0.000 2.601 106 G HA2 -0.301 3.659 3.960 0.000 0.000 0.261 106 G HA3 -0.301 3.659 3.960 0.000 0.000 0.261 106 G C -2.394 172.522 174.900 0.027 0.000 1.289 106 G CA -0.839 44.277 45.100 0.027 0.000 0.920 106 G HN 0.338 nan 8.290 nan 0.000 0.571 107 P HA 0.651 nan 4.420 nan 0.000 0.284 107 P C -0.244 177.080 177.300 0.039 0.000 1.287 107 P CA -0.838 62.282 63.100 0.032 0.000 0.824 107 P CB 0.785 32.506 31.700 0.034 0.000 1.180 108 I N 0.556 121.154 120.570 0.048 0.000 2.395 108 I HA 0.182 4.352 4.170 0.000 0.000 0.282 108 I C 0.336 176.491 176.117 0.063 0.000 1.107 108 I CA -0.569 60.762 61.300 0.053 0.000 1.210 108 I CB -0.023 38.011 38.000 0.056 0.000 1.456 108 I HN 0.024 nan 8.210 nan 0.000 0.504 109 K N 3.881 124.307 120.400 0.043 0.000 2.419 109 K HA 0.224 4.544 4.320 0.000 0.000 0.282 109 K C 0.128 176.729 176.600 0.001 0.000 1.056 109 K CA 0.196 56.501 56.287 0.030 0.000 1.035 109 K CB 0.722 33.232 32.500 0.017 0.000 0.921 109 K HN 0.384 nan 8.250 nan 0.000 0.472 110 T N 1.360 115.899 114.554 -0.026 0.000 2.923 110 T HA 0.175 4.525 4.350 0.000 0.000 0.311 110 T C 0.721 175.285 174.700 -0.227 0.000 1.183 110 T CA -0.852 61.187 62.100 -0.102 0.000 1.020 110 T CB 1.252 70.072 68.868 -0.080 0.000 1.165 110 T HN 0.529 nan 8.240 nan 0.000 0.482 111 K N 1.674 121.938 120.400 -0.225 0.000 1.971 111 K HA -0.063 4.257 4.320 0.000 0.000 0.221 111 K C 0.600 176.934 176.600 -0.442 0.000 1.050 111 K CA 1.662 57.795 56.287 -0.256 0.000 0.967 111 K CB -0.185 32.211 32.500 -0.174 0.000 0.733 111 K HN 0.591 nan 8.250 nan 0.000 0.445 112 Q N -1.063 118.482 119.800 -0.425 0.000 2.207 112 Q HA 0.503 4.843 4.340 0.000 0.000 0.237 112 Q C -0.412 175.243 176.000 -0.575 0.000 0.998 112 Q CA -0.301 55.231 55.803 -0.453 0.000 0.951 112 Q CB 0.827 29.444 28.738 -0.202 0.000 1.213 112 Q HN 0.087 nan 8.270 nan 0.000 0.499 113 F N -1.072 118.845 119.950 -0.056 0.000 2.620 113 F HA 0.864 5.391 4.527 0.000 0.000 0.320 113 F C -0.504 175.278 175.800 -0.030 0.000 1.069 113 F CA -1.402 56.568 58.000 -0.050 0.000 0.953 113 F CB 2.026 41.008 39.000 -0.029 0.000 1.322 113 F HN 0.579 nan 8.300 nan 0.000 0.479 114 A N 0.671 123.612 122.820 0.201 0.000 2.527 114 A HA 0.900 5.220 4.320 0.000 0.000 0.293 114 A C -1.471 176.156 177.584 0.072 0.000 1.117 114 A CA -0.661 51.444 52.037 0.113 0.000 0.723 114 A CB 1.285 20.337 19.000 0.087 0.000 1.313 114 A HN 0.935 nan 8.150 nan 0.000 0.411 115 A N 0.063 122.919 122.820 0.061 0.000 2.279 115 A HA 0.602 4.922 4.320 0.000 0.000 0.303 115 A C 1.050 178.636 177.584 0.005 0.000 1.108 115 A CA -0.116 51.948 52.037 0.045 0.000 0.830 115 A CB -0.041 19.011 19.000 0.086 0.000 1.106 115 A HN 1.336 nan 8.150 nan 0.000 0.493 116 I N -0.894 119.635 120.570 -0.068 0.000 2.353 116 I HA -0.023 4.147 4.170 0.000 0.000 0.248 116 I C 0.596 176.558 176.117 -0.258 0.000 1.119 116 I CA 0.496 61.679 61.300 -0.195 0.000 1.417 116 I CB -0.765 37.054 38.000 -0.302 0.000 1.078 116 I HN 0.504 nan 8.210 nan 0.000 0.421 117 H N 2.455 121.532 119.070 0.011 0.000 2.505 117 H HA 0.761 5.317 4.556 0.000 0.000 0.355 117 H C -0.290 175.048 175.328 0.017 0.000 1.179 117 H CA -0.080 55.976 56.048 0.014 0.000 1.343 117 H CB 1.397 31.171 29.762 0.021 0.000 1.501 117 H HN 0.396 nan 8.280 nan 0.000 0.569 118 A N 1.615 124.520 122.820 0.141 0.000 2.596 118 A HA 0.151 4.471 4.320 0.000 0.000 0.305 118 A C -0.538 177.085 177.584 0.066 0.000 1.032 118 A CA -0.933 51.155 52.037 0.084 0.000 0.776 118 A CB 0.990 20.024 19.000 0.056 0.000 1.253 118 A HN 0.647 nan 8.150 nan 0.000 0.402 119 E N 0.519 120.752 120.200 0.055 0.000 2.425 119 E HA 0.428 4.778 4.350 0.000 0.000 0.258 119 E C 0.476 177.099 176.600 0.039 0.000 1.151 119 E CA 0.420 56.847 56.400 0.046 0.000 0.958 119 E CB 0.961 30.685 29.700 0.041 0.000 0.968 119 E HN 1.010 nan 8.360 nan 0.000 0.451 120 A N 2.031 124.874 122.820 0.038 0.000 2.324 120 A HA 0.441 4.761 4.320 0.000 0.000 0.330 120 A C -2.241 175.362 177.584 0.031 0.000 1.165 120 A CA -1.685 50.371 52.037 0.032 0.000 0.813 120 A CB 0.272 19.294 19.000 0.037 0.000 1.197 120 A HN 0.290 nan 8.150 nan 0.000 0.484 121 P HA -0.086 nan 4.420 nan 0.000 0.241 121 P C 0.006 177.321 177.300 0.026 0.000 1.093 121 P CA 0.810 63.918 63.100 0.013 0.000 0.843 121 P CB 0.049 31.747 31.700 -0.004 0.000 0.760 122 E N 1.941 122.165 120.200 0.039 0.000 2.461 122 E HA -0.133 4.217 4.350 0.000 0.000 0.263 122 E C 0.939 177.594 176.600 0.092 0.000 1.143 122 E CA 0.095 56.540 56.400 0.075 0.000 0.994 122 E CB 0.218 29.960 29.700 0.070 0.000 0.973 122 E HN 0.379 nan 8.360 nan 0.000 0.457 123 F N 1.669 121.620 119.950 0.002 0.000 2.216 123 F HA -0.208 4.319 4.527 0.000 0.000 0.300 123 F C 1.897 177.697 175.800 -0.000 0.000 1.085 123 F CA 1.402 59.402 58.000 0.000 0.000 1.326 123 F CB 0.005 39.005 39.000 -0.000 0.000 1.027 123 F HN 0.263 nan 8.300 nan 0.000 0.497 124 V N -1.564 118.423 119.914 0.121 0.000 2.594 124 V HA -0.219 3.901 4.120 0.000 0.000 0.253 124 V C 1.655 177.708 176.094 -0.068 0.000 1.069 124 V CA 2.022 64.345 62.300 0.038 0.000 1.082 124 V CB -1.143 30.727 31.823 0.077 0.000 0.680 124 V HN 0.422 nan 8.190 nan 0.000 0.469 125 E N -0.135 120.023 120.200 -0.069 0.000 2.435 125 E HA 0.100 4.450 4.350 0.000 0.000 0.195 125 E C 0.748 177.279 176.600 -0.115 0.000 1.029 125 E CA -0.065 56.292 56.400 -0.070 0.000 0.865 125 E CB -0.097 29.581 29.700 -0.038 0.000 0.833 125 E HN 0.442 nan 8.360 nan 0.000 0.510 126 M N 1.131 120.607 119.600 -0.206 0.000 2.240 126 M HA 0.060 4.540 4.480 0.000 0.000 0.317 126 M C 0.432 176.624 176.300 -0.180 0.000 1.087 126 M CA 0.350 55.515 55.300 -0.225 0.000 1.176 126 M CB 0.758 33.129 32.600 -0.382 0.000 1.439 126 M HN -0.122 nan 8.290 nan 0.000 0.452 127 S N 0.876 116.498 115.700 -0.131 0.000 2.538 127 S HA 0.544 5.014 4.470 0.000 0.000 0.288 127 S C -0.036 174.517 174.600 -0.078 0.000 1.108 127 S CA -0.810 57.334 58.200 -0.093 0.000 0.971 127 S CB 1.415 64.578 63.200 -0.061 0.000 1.041 127 S HN 0.646 nan 8.310 nan 0.000 0.483 128 V N 1.470 121.346 119.914 -0.064 0.000 3.331 128 V HA 0.473 4.593 4.120 0.000 0.000 0.332 128 V C 0.098 176.176 176.094 -0.026 0.000 1.341 128 V CA -0.265 62.008 62.300 -0.045 0.000 1.218 128 V CB -0.607 31.192 31.823 -0.040 0.000 1.152 128 V HN 0.808 nan 8.190 nan 0.000 0.445 129 E N 2.007 122.192 120.200 -0.025 0.000 2.081 129 E HA 0.174 4.524 4.350 0.000 0.000 0.270 129 E C -0.448 176.150 176.600 -0.004 0.000 1.180 129 E CA 0.480 56.873 56.400 -0.013 0.000 0.926 129 E CB 0.644 30.337 29.700 -0.012 0.000 1.035 129 E HN 0.708 nan 8.360 nan 0.000 0.418 130 Q N 2.494 122.295 119.800 0.001 0.000 2.431 130 Q HA 0.212 4.552 4.340 0.000 0.000 0.249 130 Q C -0.456 175.554 176.000 0.017 0.000 1.025 130 Q CA -0.173 55.636 55.803 0.009 0.000 0.835 130 Q CB 1.381 30.124 28.738 0.008 0.000 1.207 130 Q HN 0.398 nan 8.270 nan 0.000 0.490 131 E N 3.320 123.535 120.200 0.024 0.000 2.222 131 E HA 0.314 4.664 4.350 0.000 0.000 0.267 131 E C -0.955 175.673 176.600 0.048 0.000 0.884 131 E CA -0.873 55.547 56.400 0.033 0.000 0.764 131 E CB 1.567 31.285 29.700 0.030 0.000 1.169 131 E HN 0.620 nan 8.360 nan 0.000 0.413 132 I N 4.526 125.130 120.570 0.057 0.000 2.710 132 I HA 0.005 4.175 4.170 0.000 0.000 0.286 132 I C -0.940 175.226 176.117 0.082 0.000 1.181 132 I CA -0.236 61.109 61.300 0.075 0.000 1.430 132 I CB 0.404 38.456 38.000 0.086 0.000 1.367 132 I HN 0.436 nan 8.210 nan 0.000 0.577 133 L N 9.237 130.522 121.223 0.104 0.000 2.301 133 L HA 0.442 4.782 4.340 0.000 0.000 0.278 133 L C -0.855 176.087 176.870 0.119 0.000 1.022 133 L CA -0.390 54.518 54.840 0.113 0.000 0.854 133 L CB 0.995 43.131 42.059 0.128 0.000 1.226 133 L HN 0.414 nan 8.230 nan 0.000 0.429 134 V N 4.822 124.791 119.914 0.091 0.000 2.572 134 V HA 0.198 4.318 4.120 0.000 0.000 0.291 134 V C 1.512 177.650 176.094 0.074 0.000 1.039 134 V CA 0.799 63.142 62.300 0.071 0.000 1.055 134 V CB 1.164 33.021 31.823 0.056 0.000 0.969 134 V HN 0.962 nan 8.190 nan 0.000 0.482 135 T N 0.179 114.765 114.554 0.053 0.000 3.015 135 T HA 0.243 4.593 4.350 0.000 0.000 0.250 135 T C 1.393 176.102 174.700 0.015 0.000 1.057 135 T CA 0.642 62.776 62.100 0.056 0.000 1.066 135 T CB 0.405 69.302 68.868 0.049 0.000 0.959 135 T HN 1.491 nan 8.240 nan 0.000 0.488 136 G N 2.000 110.811 108.800 0.018 0.000 2.148 136 G HA2 -0.196 3.764 3.960 0.000 0.000 0.254 136 G HA3 -0.196 3.764 3.960 0.000 0.000 0.254 136 G C -0.008 174.906 174.900 0.024 0.000 0.981 136 G CA 0.164 45.276 45.100 0.020 0.000 0.670 136 G HN 0.700 nan 8.290 nan 0.000 0.528 137 I N 0.247 120.833 120.570 0.026 0.000 2.312 137 I HA 0.268 4.438 4.170 0.000 0.000 0.290 137 I C 1.561 177.749 176.117 0.118 0.000 1.008 137 I CA -0.853 60.501 61.300 0.090 0.000 1.226 137 I CB 1.296 39.355 38.000 0.099 0.000 1.371 137 I HN -0.048 nan 8.210 nan 0.000 0.468 138 K N 3.549 124.060 120.400 0.185 0.000 2.034 138 K HA -0.198 4.122 4.320 0.000 0.000 0.214 138 K C 1.896 178.587 176.600 0.152 0.000 1.051 138 K CA 2.041 58.467 56.287 0.231 0.000 0.931 138 K CB -0.187 32.550 32.500 0.397 0.000 0.715 138 K HN 0.705 nan 8.250 nan 0.000 0.446 139 V N -0.390 119.613 119.914 0.149 0.000 2.287 139 V HA -0.239 3.881 4.120 0.000 0.000 0.248 139 V C 2.279 178.371 176.094 -0.003 0.000 1.053 139 V CA 1.829 64.168 62.300 0.066 0.000 1.027 139 V CB -1.150 30.729 31.823 0.093 0.000 0.646 139 V HN 0.040 nan 8.190 nan 0.000 0.447 140 V N 0.957 120.857 119.914 -0.023 0.000 2.237 140 V HA -0.247 3.873 4.120 0.000 0.000 0.245 140 V C 2.526 178.529 176.094 -0.152 0.000 1.046 140 V CA 2.470 64.666 62.300 -0.174 0.000 1.007 140 V CB -1.043 30.565 31.823 -0.358 0.000 0.638 140 V HN 0.473 nan 8.190 nan 0.000 0.445 141 D N 0.175 120.530 120.400 -0.075 0.000 2.088 141 D HA -0.165 4.475 4.640 0.000 0.000 0.191 141 D C 2.011 178.377 176.300 0.108 0.000 0.992 141 D CA 1.493 55.498 54.000 0.008 0.000 0.831 141 D CB -0.571 40.242 40.800 0.021 0.000 0.973 141 D HN 0.334 nan 8.370 nan 0.000 0.447 142 L N 0.103 121.350 121.223 0.039 0.000 2.079 142 L HA -0.110 4.230 4.340 0.000 0.000 0.210 142 L C 1.954 178.834 176.870 0.017 0.000 1.081 142 L CA 1.585 56.439 54.840 0.022 0.000 0.752 142 L CB -0.130 41.741 42.059 -0.314 0.000 0.896 142 L HN 0.053 nan 8.230 nan 0.000 0.433 143 L N -1.721 119.465 121.223 -0.062 0.000 2.609 143 L HA 0.381 4.721 4.340 0.000 0.000 0.230 143 L C 0.629 177.456 176.870 -0.073 0.000 1.064 143 L CA 0.457 55.241 54.840 -0.094 0.000 0.873 143 L CB -0.013 41.986 42.059 -0.099 0.000 1.139 143 L HN 0.216 nan 8.230 nan 0.000 0.490 144 A N 0.694 123.480 122.820 -0.058 0.000 3.124 144 A HA 0.525 4.845 4.320 0.000 0.000 0.295 144 A C -2.747 174.801 177.584 -0.060 0.000 1.199 144 A CA -0.709 51.307 52.037 -0.034 0.000 0.845 144 A CB -0.003 19.005 19.000 0.013 0.000 1.381 144 A HN -0.151 nan 8.150 nan 0.000 0.537 145 P HA 0.256 nan 4.420 nan 0.000 0.275 145 P C -0.429 176.895 177.300 0.041 0.000 1.228 145 P CA 0.184 63.250 63.100 -0.057 0.000 0.786 145 P CB 0.231 31.945 31.700 0.024 0.000 0.927 146 Y N 0.375 120.705 120.300 0.051 0.000 2.379 146 Y HA 0.359 4.909 4.550 0.000 0.000 0.337 146 Y C 1.069 176.985 175.900 0.027 0.000 1.238 146 Y CA -1.033 57.088 58.100 0.035 0.000 1.405 146 Y CB 0.620 39.098 38.460 0.029 0.000 1.310 146 Y HN 0.324 nan 8.280 nan 0.000 0.569 147 A N 3.659 126.588 122.820 0.182 0.000 2.318 147 A HA 0.360 4.680 4.320 0.000 0.000 0.317 147 A C -0.754 176.863 177.584 0.056 0.000 1.159 147 A CA -1.099 50.996 52.037 0.096 0.000 0.799 147 A CB 0.540 19.579 19.000 0.066 0.000 1.194 147 A HN 0.744 nan 8.150 nan 0.000 0.479 148 K N 1.186 121.618 120.400 0.053 0.000 2.504 148 K HA 0.175 4.495 4.320 0.000 0.000 0.278 148 K C 1.221 177.826 176.600 0.008 0.000 1.025 148 K CA 1.324 57.630 56.287 0.033 0.000 1.093 148 K CB 0.109 32.635 32.500 0.044 0.000 0.873 148 K HN 1.612 nan 8.250 nan 0.000 0.483 149 G N 2.174 110.966 108.800 -0.015 0.000 2.166 149 G HA2 -0.278 3.682 3.960 0.000 0.000 0.260 149 G HA3 -0.278 3.682 3.960 0.000 0.000 0.260 149 G C 0.484 175.359 174.900 -0.043 0.000 0.986 149 G CA 0.219 45.301 45.100 -0.030 0.000 0.683 149 G HN 0.874 nan 8.290 nan 0.000 0.527 150 G N -0.792 107.980 108.800 -0.046 0.000 2.528 150 G HA2 0.566 4.526 3.960 0.000 0.000 0.289 150 G HA3 0.566 4.526 3.960 0.000 0.000 0.289 150 G C -0.059 174.789 174.900 -0.088 0.000 1.192 150 G CA -0.657 44.416 45.100 -0.045 0.000 0.921 150 G HN 0.369 nan 8.290 nan 0.000 0.512 151 K N -0.025 120.334 120.400 -0.068 0.000 2.234 151 K HA 0.433 4.753 4.320 0.000 0.000 0.282 151 K C -0.491 176.045 176.600 -0.107 0.000 1.039 151 K CA 0.007 56.237 56.287 -0.096 0.000 0.928 151 K CB 1.382 33.853 32.500 -0.048 0.000 1.039 151 K HN 0.270 nan 8.250 nan 0.000 0.470 152 I N 1.196 121.647 120.570 -0.198 0.000 2.569 152 I HA 0.399 4.569 4.170 0.000 0.000 0.296 152 I C 0.146 176.126 176.117 -0.228 0.000 1.028 152 I CA -0.823 60.327 61.300 -0.249 0.000 1.082 152 I CB 2.297 39.965 38.000 -0.554 0.000 1.264 152 I HN 0.636 nan 8.210 nan 0.000 0.429 153 G N 6.168 114.869 108.800 -0.164 0.000 2.590 153 G HA2 0.691 4.651 3.960 0.000 0.000 0.310 153 G HA3 0.691 4.651 3.960 0.000 0.000 0.310 153 G C -1.178 173.581 174.900 -0.235 0.000 1.347 153 G CA -0.448 44.478 45.100 -0.291 0.000 0.963 153 G HN 0.411 nan 8.290 nan 0.000 0.494 154 L N 2.392 123.424 121.223 -0.318 0.000 2.301 154 L HA 0.422 4.762 4.340 0.000 0.000 0.278 154 L C -0.873 175.852 176.870 -0.243 0.000 1.022 154 L CA -0.561 54.201 54.840 -0.131 0.000 0.854 154 L CB 0.987 43.032 42.059 -0.023 0.000 1.226 154 L HN 0.375 nan 8.230 nan 0.000 0.429 155 F N 1.452 121.399 119.950 -0.004 0.000 2.404 155 F HA 0.692 5.219 4.527 0.000 0.000 0.345 155 F C 0.958 176.753 175.800 -0.008 0.000 1.110 155 F CA -0.328 57.651 58.000 -0.034 0.000 1.130 155 F CB 1.935 40.906 39.000 -0.049 0.000 1.129 155 F HN 0.392 nan 8.300 nan 0.000 0.500 156 G N 1.173 110.046 108.800 0.123 0.000 2.732 156 G HA2 0.508 4.468 3.960 0.000 0.000 0.296 156 G HA3 0.508 4.468 3.960 0.000 0.000 0.296 156 G C -0.851 173.994 174.900 -0.093 0.000 1.448 156 G CA -0.619 44.508 45.100 0.046 0.000 0.911 156 G HN 0.913 nan 8.290 nan 0.000 0.528 157 G N -0.422 108.306 108.800 -0.119 0.000 2.580 157 G HA2 0.666 4.626 3.960 0.000 0.000 0.278 157 G HA3 0.666 4.626 3.960 0.000 0.000 0.278 157 G C 0.715 175.563 174.900 -0.085 0.000 1.212 157 G CA 0.295 45.247 45.100 -0.247 0.000 0.939 157 G HN 1.622 nan 8.290 nan 0.000 0.513 158 A N -0.896 121.923 122.820 -0.001 0.000 2.553 158 A HA 0.490 4.810 4.320 0.000 0.000 0.258 158 A C 1.553 179.196 177.584 0.098 0.000 1.069 158 A CA 1.221 53.380 52.037 0.203 0.000 0.767 158 A CB -0.837 18.313 19.000 0.250 0.000 0.997 158 A HN 2.579 nan 8.150 nan 0.000 0.512 159 G N 0.737 109.596 108.800 0.099 0.000 2.132 159 G HA2 -0.141 3.819 3.960 0.000 0.000 0.234 159 G HA3 -0.141 3.819 3.960 0.000 0.000 0.234 159 G C 0.680 175.622 174.900 0.071 0.000 0.989 159 G CA 0.595 45.735 45.100 0.067 0.000 0.676 159 G HN 2.181 nan 8.290 nan 0.000 0.522 160 V N -2.841 117.117 119.914 0.073 0.000 3.660 160 V HA 0.656 4.776 4.120 0.000 0.000 0.276 160 V C 1.567 177.737 176.094 0.127 0.000 1.317 160 V CA 1.136 63.484 62.300 0.080 0.000 1.097 160 V CB 0.297 32.140 31.823 0.032 0.000 0.863 160 V HN 2.195 nan 8.190 nan 0.000 0.438 161 G N 0.769 109.634 108.800 0.108 0.000 2.245 161 G HA2 -0.175 3.785 3.960 0.000 0.000 0.130 161 G HA3 -0.175 3.785 3.960 0.000 0.000 0.130 161 G C 0.383 175.355 174.900 0.120 0.000 1.040 161 G CA 0.218 45.382 45.100 0.107 0.000 0.713 161 G HN 0.463 nan 8.290 nan 0.000 0.488 162 K N -0.256 120.210 120.400 0.111 0.000 1.973 162 K HA -0.079 4.241 4.320 0.000 0.000 0.212 162 K C 2.632 179.308 176.600 0.127 0.000 1.047 162 K CA 2.063 58.419 56.287 0.116 0.000 0.937 162 K CB -0.451 32.107 32.500 0.097 0.000 0.721 162 K HN 0.304 nan 8.250 nan 0.000 0.440 163 T N 1.518 116.141 114.554 0.115 0.000 2.699 163 T HA -0.160 4.190 4.350 0.000 0.000 0.268 163 T C 2.101 176.877 174.700 0.126 0.000 1.036 163 T CA 1.447 63.621 62.100 0.123 0.000 1.147 163 T CB -0.475 68.460 68.868 0.110 0.000 0.862 163 T HN -0.046 nan 8.240 nan 0.000 0.446 164 V N 1.283 121.264 119.914 0.112 0.000 2.287 164 V HA -0.143 3.977 4.120 0.000 0.000 0.248 164 V C 2.405 178.641 176.094 0.237 0.000 1.053 164 V CA 1.588 63.976 62.300 0.147 0.000 1.027 164 V CB -0.629 31.250 31.823 0.093 0.000 0.646 164 V HN 0.340 nan 8.190 nan 0.000 0.447 165 L N -0.490 120.891 121.223 0.262 0.000 2.093 165 L HA -0.102 4.238 4.340 0.000 0.000 0.208 165 L C 2.087 179.090 176.870 0.222 0.000 1.085 165 L CA 1.751 56.794 54.840 0.338 0.000 0.755 165 L CB -0.516 41.733 42.059 0.316 0.000 0.904 165 L HN 0.261 nan 8.230 nan 0.000 0.435 166 I N -1.296 119.383 120.570 0.181 0.000 2.315 166 I HA -0.291 3.879 4.170 0.000 0.000 0.248 166 I C 2.114 178.280 176.117 0.082 0.000 1.117 166 I CA 0.925 62.325 61.300 0.167 0.000 1.404 166 I CB 0.063 38.177 38.000 0.190 0.000 1.071 166 I HN 0.302 nan 8.210 nan 0.000 0.419 167 M N -0.097 119.547 119.600 0.073 0.000 2.086 167 M HA -0.230 4.250 4.480 0.000 0.000 0.261 167 M C 2.160 178.446 176.300 -0.025 0.000 1.067 167 M CA 1.654 56.954 55.300 0.001 0.000 1.116 167 M CB -1.518 31.105 32.600 0.038 0.000 1.348 167 M HN 0.153 nan 8.290 nan 0.000 0.407 168 E N 0.764 120.969 120.200 0.009 0.000 2.118 168 E HA -0.121 4.229 4.350 0.000 0.000 0.195 168 E C 2.050 178.579 176.600 -0.117 0.000 0.992 168 E CA 1.139 57.467 56.400 -0.120 0.000 0.804 168 E CB -0.265 29.202 29.700 -0.389 0.000 0.741 168 E HN 0.485 nan 8.360 nan 0.000 0.458 169 L N -0.200 121.010 121.223 -0.021 0.000 2.027 169 L HA -0.107 4.233 4.340 0.000 0.000 0.206 169 L C 2.488 179.377 176.870 0.031 0.000 1.074 169 L CA 1.007 55.885 54.840 0.064 0.000 0.745 169 L CB -0.376 41.809 42.059 0.209 0.000 0.898 169 L HN 0.206 nan 8.230 nan 0.000 0.433 170 I N 0.254 120.749 120.570 -0.126 0.000 2.315 170 I HA -0.356 3.814 4.170 0.000 0.000 0.251 170 I C 2.180 178.215 176.117 -0.136 0.000 1.125 170 I CA 1.550 62.660 61.300 -0.316 0.000 1.392 170 I CB -0.179 37.511 38.000 -0.518 0.000 1.065 170 I HN 0.368 nan 8.210 nan 0.000 0.424 171 N N 0.472 119.117 118.700 -0.092 0.000 2.197 171 N HA -0.093 4.647 4.740 0.000 0.000 0.184 171 N C 1.358 176.848 175.510 -0.034 0.000 1.030 171 N CA 0.930 53.944 53.050 -0.061 0.000 0.851 171 N CB 0.077 38.528 38.487 -0.060 0.000 1.003 171 N HN 0.105 nan 8.380 nan 0.000 0.430 172 N N -0.503 118.172 118.700 -0.041 0.000 2.571 172 N HA -0.004 4.736 4.740 0.000 0.000 0.189 172 N C 0.536 176.059 175.510 0.022 0.000 1.154 172 N CA 0.283 53.321 53.050 -0.020 0.000 0.907 172 N CB 0.523 38.980 38.487 -0.051 0.000 0.977 172 N HN 0.156 nan 8.380 nan 0.000 0.449 173 V N -0.855 119.081 119.914 0.036 0.000 3.278 173 V HA 0.255 4.375 4.120 0.000 0.000 0.215 173 V C 1.460 177.588 176.094 0.056 0.000 1.287 173 V CA 0.647 62.985 62.300 0.063 0.000 1.302 173 V CB -0.387 31.497 31.823 0.102 0.000 1.228 173 V HN 0.111 nan 8.190 nan 0.000 0.523 174 A N -0.540 122.306 122.820 0.042 0.000 2.259 174 A HA 0.084 4.404 4.320 0.000 0.000 0.208 174 A C 1.737 179.363 177.584 0.071 0.000 1.201 174 A CA 0.811 52.875 52.037 0.044 0.000 0.824 174 A CB -0.226 18.810 19.000 0.060 0.000 0.838 174 A HN 0.343 nan 8.150 nan 0.000 0.485 175 K N 0.233 120.665 120.400 0.052 0.000 2.078 175 K HA 0.272 4.592 4.320 0.000 0.000 0.203 175 K C 1.031 177.667 176.600 0.060 0.000 1.043 175 K CA 1.254 57.565 56.287 0.040 0.000 0.960 175 K CB -0.179 32.329 32.500 0.013 0.000 0.761 175 K HN 0.245 nan 8.250 nan 0.000 0.448 176 A N 1.431 124.294 122.820 0.072 0.000 3.094 176 A HA 0.173 4.493 4.320 0.000 0.000 0.288 176 A C -1.008 176.653 177.584 0.129 0.000 1.519 176 A CA -0.193 51.887 52.037 0.072 0.000 1.227 176 A CB -0.639 18.390 19.000 0.049 0.000 1.175 176 A HN 0.349 nan 8.150 nan 0.000 0.568 177 H N 1.138 120.212 119.070 0.006 0.000 3.172 177 H HA 0.321 4.877 4.556 0.000 0.000 0.322 177 H C 0.023 175.337 175.328 -0.023 0.000 1.003 177 H CA -0.103 55.947 56.048 0.004 0.000 1.466 177 H CB 1.082 30.861 29.762 0.029 0.000 1.673 177 H HN 0.510 nan 8.280 nan 0.000 0.512 178 G N 2.742 111.349 108.800 -0.323 0.000 2.469 178 G HA2 0.437 4.397 3.960 0.000 0.000 0.293 178 G HA3 0.437 4.397 3.960 0.000 0.000 0.293 178 G C 0.219 174.825 174.900 -0.489 0.000 0.982 178 G CA 0.573 45.488 45.100 -0.308 0.000 1.401 178 G HN 0.801 nan 8.290 nan 0.000 0.453 179 G N 1.400 109.984 108.800 -0.360 0.000 2.358 179 G HA2 0.275 4.235 3.960 0.000 0.000 0.303 179 G HA3 0.275 4.235 3.960 0.000 0.000 0.303 179 G C -0.943 173.898 174.900 -0.098 0.000 1.537 179 G CA -1.175 43.741 45.100 -0.306 0.000 0.928 179 G HN 0.430 nan 8.290 nan 0.000 0.656 180 Y N 0.538 120.915 120.300 0.129 0.000 2.346 180 Y HA 0.514 5.064 4.550 0.000 0.000 0.330 180 Y C 1.104 177.010 175.900 0.010 0.000 1.178 180 Y CA 0.276 58.383 58.100 0.012 0.000 1.331 180 Y CB 1.467 39.834 38.460 -0.154 0.000 1.253 180 Y HN 0.420 nan 8.280 nan 0.000 0.529 181 S N 1.981 117.762 115.700 0.134 0.000 2.521 181 S HA 0.625 5.095 4.470 0.000 0.000 0.295 181 S C -1.021 173.616 174.600 0.061 0.000 1.098 181 S CA -0.872 57.401 58.200 0.120 0.000 0.999 181 S CB 1.662 64.984 63.200 0.204 0.000 1.034 181 S HN 0.336 nan 8.310 nan 0.000 0.483 182 V N 3.220 123.170 119.914 0.060 0.000 2.495 182 V HA 0.528 4.648 4.120 0.000 0.000 0.298 182 V C -1.107 175.082 176.094 0.158 0.000 1.031 182 V CA -0.674 61.654 62.300 0.046 0.000 0.871 182 V CB 1.339 33.138 31.823 -0.040 0.000 0.988 182 V HN 0.877 nan 8.190 nan 0.000 0.432 183 F N 4.032 123.984 119.950 0.004 0.000 2.382 183 F HA 0.740 5.267 4.527 0.000 0.000 0.361 183 F C 0.353 176.047 175.800 -0.177 0.000 1.109 183 F CA -0.556 57.429 58.000 -0.024 0.000 1.031 183 F CB 1.008 39.991 39.000 -0.029 0.000 1.234 183 F HN 0.553 nan 8.300 nan 0.000 0.445 184 A N 4.665 127.226 122.820 -0.431 0.000 2.294 184 A HA 0.564 4.884 4.320 0.000 0.000 0.316 184 A C 0.353 177.582 177.584 -0.592 0.000 1.359 184 A CA -0.278 51.513 52.037 -0.411 0.000 0.956 184 A CB -0.071 18.748 19.000 -0.302 0.000 1.155 184 A HN 0.972 nan 8.150 nan 0.000 0.544 185 G N 2.075 110.514 108.800 -0.602 0.000 2.519 185 G HA2 0.462 4.422 3.960 0.000 0.000 0.306 185 G HA3 0.462 4.422 3.960 0.000 0.000 0.306 185 G C -0.268 174.534 174.900 -0.162 0.000 0.965 185 G CA -0.098 44.771 45.100 -0.385 0.000 1.291 185 G HN 0.648 nan 8.290 nan 0.000 0.450 186 V N 2.672 122.520 119.914 -0.109 0.000 2.383 186 V HA 0.499 4.619 4.120 0.000 0.000 0.275 186 V C 1.376 177.490 176.094 0.032 0.000 1.036 186 V CA 0.150 62.430 62.300 -0.032 0.000 0.889 186 V CB 0.955 32.750 31.823 -0.046 0.000 0.985 186 V HN 1.076 nan 8.190 nan 0.000 0.459 187 G N 3.630 112.462 108.800 0.053 0.000 2.447 187 G HA2 -0.210 3.750 3.960 0.000 0.000 0.293 187 G HA3 -0.210 3.750 3.960 0.000 0.000 0.293 187 G C 0.336 175.275 174.900 0.065 0.000 0.894 187 G CA 0.673 45.810 45.100 0.061 0.000 1.066 187 G HN 0.702 nan 8.290 nan 0.000 0.503 188 E N -0.708 119.547 120.200 0.091 0.000 2.875 188 E HA 0.371 4.721 4.350 0.000 0.000 0.208 188 E C 0.838 177.492 176.600 0.090 0.000 0.712 188 E CA -0.893 55.558 56.400 0.084 0.000 1.321 188 E CB 0.580 30.343 29.700 0.104 0.000 1.796 188 E HN 0.332 nan 8.360 nan 0.000 0.410 189 R N 0.527 121.081 120.500 0.091 0.000 2.298 189 R HA 0.197 4.537 4.340 0.000 0.000 0.310 189 R C 1.154 177.488 176.300 0.056 0.000 1.068 189 R CA 0.074 56.210 56.100 0.061 0.000 0.957 189 R CB 0.581 30.910 30.300 0.048 0.000 1.003 189 R HN 0.366 nan 8.270 nan 0.000 0.454 190 T N 2.744 117.308 114.554 0.017 0.000 2.746 190 T HA -0.158 4.192 4.350 0.000 0.000 0.267 190 T C 1.703 176.351 174.700 -0.086 0.000 1.039 190 T CA 1.613 63.689 62.100 -0.039 0.000 1.142 190 T CB -0.043 68.797 68.868 -0.047 0.000 0.866 190 T HN 0.605 nan 8.240 nan 0.000 0.444 191 R N 1.500 121.969 120.500 -0.052 0.000 2.249 191 R HA -0.006 4.334 4.340 0.000 0.000 0.230 191 R C 1.731 177.994 176.300 -0.061 0.000 1.121 191 R CA 1.557 57.620 56.100 -0.063 0.000 0.997 191 R CB -0.367 29.914 30.300 -0.032 0.000 0.867 191 R HN 0.394 nan 8.270 nan 0.000 0.465 192 E N -0.038 120.148 120.200 -0.023 0.000 2.435 192 E HA 0.010 4.360 4.350 0.000 0.000 0.195 192 E C 1.668 178.250 176.600 -0.030 0.000 1.029 192 E CA 0.662 57.068 56.400 0.010 0.000 0.865 192 E CB 0.302 30.053 29.700 0.085 0.000 0.833 192 E HN 0.670 nan 8.360 nan 0.000 0.510 193 G N 1.361 110.071 108.800 -0.150 0.000 2.471 193 G HA2 -0.246 3.714 3.960 0.000 0.000 0.211 193 G HA3 -0.246 3.714 3.960 0.000 0.000 0.211 193 G C 1.303 176.002 174.900 -0.335 0.000 1.194 193 G CA 0.546 45.391 45.100 -0.425 0.000 0.816 193 G HN 0.210 nan 8.290 nan 0.000 0.545 194 N N 0.744 119.257 118.700 -0.312 0.000 2.096 194 N HA -0.202 4.538 4.740 0.000 0.000 0.195 194 N C 1.641 176.966 175.510 -0.309 0.000 1.017 194 N CA 2.043 54.910 53.050 -0.305 0.000 0.870 194 N CB -0.160 38.168 38.487 -0.265 0.000 1.024 194 N HN 0.159 nan 8.380 nan 0.000 0.434 195 D N -0.423 119.865 120.400 -0.186 0.000 2.117 195 D HA -0.110 4.530 4.640 0.000 0.000 0.198 195 D C 1.875 178.133 176.300 -0.069 0.000 0.982 195 D CA 0.546 54.480 54.000 -0.110 0.000 0.828 195 D CB -0.335 40.431 40.800 -0.055 0.000 0.967 195 D HN 0.300 nan 8.370 nan 0.000 0.464 196 L N -0.249 120.926 121.223 -0.080 0.000 1.988 196 L HA -0.172 4.168 4.340 0.000 0.000 0.207 196 L C 2.140 179.023 176.870 0.021 0.000 1.071 196 L CA 1.471 56.260 54.840 -0.085 0.000 0.744 196 L CB -0.807 41.148 42.059 -0.174 0.000 0.893 196 L HN -0.012 nan 8.230 nan 0.000 0.433 197 Y N 0.652 120.880 120.300 -0.119 0.000 1.938 197 Y HA -0.415 4.135 4.550 0.000 0.000 0.253 197 Y C 2.890 178.840 175.900 0.083 0.000 1.163 197 Y CA 2.424 60.504 58.100 -0.034 0.000 1.086 197 Y CB -1.119 37.295 38.460 -0.076 0.000 0.928 197 Y HN 0.431 nan 8.280 nan 0.000 0.493 198 H N -0.199 118.835 119.070 -0.061 0.000 2.321 198 H HA -0.183 4.373 4.556 0.000 0.000 0.295 198 H C 2.276 177.537 175.328 -0.112 0.000 1.102 198 H CA 1.747 57.707 56.048 -0.148 0.000 1.266 198 H CB -0.830 28.883 29.762 -0.082 0.000 1.363 198 H HN 0.589 nan 8.280 nan 0.000 0.492 199 E N -0.122 120.114 120.200 0.059 0.000 2.265 199 E HA -0.139 4.211 4.350 0.000 0.000 0.196 199 E C 1.690 178.276 176.600 -0.024 0.000 0.996 199 E CA 0.736 57.138 56.400 0.002 0.000 0.832 199 E CB -0.024 29.666 29.700 -0.016 0.000 0.756 199 E HN 0.401 nan 8.360 nan 0.000 0.491 200 M N -0.335 119.250 119.600 -0.024 0.000 2.441 200 M HA 0.126 4.606 4.480 0.000 0.000 0.244 200 M C 1.505 177.780 176.300 -0.042 0.000 1.122 200 M CA 0.053 55.337 55.300 -0.027 0.000 1.041 200 M CB 0.507 33.106 32.600 -0.003 0.000 1.438 200 M HN 0.139 nan 8.290 nan 0.000 0.484 201 I N -0.308 120.208 120.570 -0.089 0.000 2.385 201 I HA -0.156 4.014 4.170 0.000 0.000 0.244 201 I C 2.147 178.207 176.117 -0.095 0.000 1.089 201 I CA 0.844 62.067 61.300 -0.129 0.000 1.410 201 I CB -0.020 37.830 38.000 -0.251 0.000 1.117 201 I HN 0.183 nan 8.210 nan 0.000 0.429 202 E N 0.594 120.740 120.200 -0.091 0.000 2.033 202 E HA -0.290 4.060 4.350 0.000 0.000 0.199 202 E C 2.222 178.793 176.600 -0.047 0.000 1.011 202 E CA 2.150 58.509 56.400 -0.069 0.000 0.815 202 E CB -0.233 29.433 29.700 -0.057 0.000 0.755 202 E HN 0.482 nan 8.360 nan 0.000 0.451 203 S N -0.500 115.177 115.700 -0.038 0.000 2.447 203 S HA -0.025 4.445 4.470 0.000 0.000 0.233 203 S C 1.499 176.086 174.600 -0.021 0.000 1.006 203 S CA 0.973 59.157 58.200 -0.027 0.000 0.957 203 S CB 0.013 63.198 63.200 -0.025 0.000 0.773 203 S HN 0.451 nan 8.310 nan 0.000 0.507 204 G N 0.101 108.886 108.800 -0.026 0.000 2.212 204 G HA2 -0.211 3.749 3.960 0.000 0.000 0.255 204 G HA3 -0.211 3.749 3.960 0.000 0.000 0.255 204 G C 0.440 175.342 174.900 0.002 0.000 1.062 204 G CA 0.157 45.248 45.100 -0.016 0.000 0.815 204 G HN 0.813 nan 8.290 nan 0.000 0.497 205 V N -1.069 118.849 119.914 0.007 0.000 2.725 205 V HA 0.294 4.414 4.120 0.000 0.000 0.247 205 V C 1.606 177.728 176.094 0.046 0.000 1.058 205 V CA 1.197 63.514 62.300 0.029 0.000 1.080 205 V CB -0.080 31.759 31.823 0.027 0.000 0.713 205 V HN 0.444 nan 8.190 nan 0.000 0.465 206 I N 1.658 122.251 120.570 0.037 0.000 2.385 206 I HA 0.352 4.523 4.170 0.000 0.000 0.294 206 I C -0.038 176.092 176.117 0.021 0.000 0.988 206 I CA 0.164 61.497 61.300 0.055 0.000 1.265 206 I CB 1.101 39.149 38.000 0.080 0.000 1.388 206 I HN 0.081 nan 8.210 nan 0.000 0.480 207 N N 5.856 124.578 118.700 0.037 0.000 2.461 207 N HA 0.343 5.083 4.740 0.000 0.000 0.284 207 N C 0.266 175.792 175.510 0.025 0.000 1.049 207 N CA -0.420 52.640 53.050 0.017 0.000 0.889 207 N CB 1.722 40.222 38.487 0.022 0.000 1.365 207 N HN 0.527 nan 8.380 nan 0.000 0.499 208 L N 2.166 123.391 121.223 0.003 0.000 2.217 208 L HA -0.008 4.332 4.340 0.000 0.000 0.211 208 L C 2.038 178.920 176.870 0.019 0.000 1.107 208 L CA 0.673 55.522 54.840 0.016 0.000 0.783 208 L CB -0.125 41.929 42.059 -0.009 0.000 0.919 208 L HN 0.357 nan 8.230 nan 0.000 0.442 209 K N 0.155 120.561 120.400 0.010 0.000 2.057 209 K HA -0.016 4.304 4.320 0.000 0.000 0.206 209 K C 0.588 177.201 176.600 0.022 0.000 1.050 209 K CA 0.966 57.260 56.287 0.011 0.000 0.935 209 K CB -0.171 32.331 32.500 0.004 0.000 0.715 209 K HN 0.356 nan 8.250 nan 0.000 0.439 210 D N -1.160 119.258 120.400 0.029 0.000 2.570 210 D HA 0.307 4.947 4.640 0.000 0.000 0.266 210 D C -0.095 176.235 176.300 0.051 0.000 1.182 210 D CA -0.444 53.578 54.000 0.037 0.000 1.088 210 D CB 0.476 41.299 40.800 0.038 0.000 1.186 210 D HN -0.036 nan 8.370 nan 0.000 0.618 211 A N -0.190 122.666 122.820 0.061 0.000 2.616 211 A HA 0.210 4.530 4.320 0.000 0.000 0.294 211 A C 0.838 178.483 177.584 0.101 0.000 1.091 211 A CA -0.175 51.912 52.037 0.082 0.000 0.971 211 A CB -0.553 18.494 19.000 0.078 0.000 1.222 211 A HN 0.417 nan 8.150 nan 0.000 0.521 212 T N -1.761 112.843 114.554 0.083 0.000 3.194 212 T HA 0.129 4.479 4.350 0.000 0.000 0.251 212 T C 0.681 175.440 174.700 0.098 0.000 1.132 212 T CA 0.398 62.548 62.100 0.083 0.000 1.028 212 T CB -0.438 68.462 68.868 0.053 0.000 0.976 212 T HN 0.194 nan 8.240 nan 0.000 0.535 213 S N 2.109 117.878 115.700 0.115 0.000 2.549 213 S HA 0.254 4.724 4.470 0.000 0.000 0.283 213 S C 0.908 175.613 174.600 0.176 0.000 1.320 213 S CA -0.678 57.596 58.200 0.122 0.000 1.058 213 S CB 0.828 64.098 63.200 0.117 0.000 0.882 213 S HN 0.262 nan 8.310 nan 0.000 0.498 214 K N 1.374 121.865 120.400 0.151 0.000 2.387 214 K HA 0.314 4.634 4.320 0.000 0.000 0.203 214 K C -0.574 176.129 176.600 0.173 0.000 1.030 214 K CA 0.137 56.534 56.287 0.184 0.000 1.099 214 K CB 0.567 33.127 32.500 0.100 0.000 0.863 214 K HN 0.365 nan 8.250 nan 0.000 0.529 215 V N 0.551 120.540 119.914 0.125 0.000 2.888 215 V HA 0.563 4.683 4.120 0.000 0.000 0.309 215 V C -1.102 175.027 176.094 0.057 0.000 1.114 215 V CA -1.283 61.066 62.300 0.082 0.000 0.940 215 V CB 2.075 33.956 31.823 0.096 0.000 1.021 215 V HN 0.153 nan 8.190 nan 0.000 0.426 216 A N 4.709 127.535 122.820 0.011 0.000 2.337 216 A HA 0.954 5.274 4.320 0.000 0.000 0.329 216 A C -1.143 176.489 177.584 0.081 0.000 1.146 216 A CA -0.576 51.478 52.037 0.029 0.000 0.800 216 A CB 1.109 20.089 19.000 -0.033 0.000 1.220 216 A HN 0.765 nan 8.150 nan 0.000 0.472 217 L N 2.459 123.743 121.223 0.102 0.000 2.333 217 L HA 0.583 4.923 4.340 0.000 0.000 0.280 217 L C -1.095 175.840 176.870 0.110 0.000 1.004 217 L CA -0.896 54.032 54.840 0.146 0.000 0.820 217 L CB 1.803 43.993 42.059 0.220 0.000 1.247 217 L HN 0.437 nan 8.230 nan 0.000 0.416 218 V N 2.787 122.720 119.914 0.032 0.000 2.444 218 V HA 0.455 4.575 4.120 0.000 0.000 0.294 218 V C -1.169 174.872 176.094 -0.089 0.000 1.022 218 V CA -0.686 61.614 62.300 -0.000 0.000 0.850 218 V CB 1.573 33.364 31.823 -0.052 0.000 0.992 218 V HN 0.466 nan 8.190 nan 0.000 0.426 219 Y N 1.827 122.135 120.300 0.013 0.000 2.373 219 Y HA 0.732 5.282 4.550 0.000 0.000 0.336 219 Y C 0.525 176.425 175.900 0.001 0.000 0.979 219 Y CA -0.525 57.586 58.100 0.019 0.000 1.080 219 Y CB 2.737 41.199 38.460 0.003 0.000 1.190 219 Y HN 0.762 nan 8.280 nan 0.000 0.446 220 G N 4.330 113.215 108.800 0.143 0.000 3.113 220 G HA2 0.378 4.338 3.960 0.000 0.000 0.301 220 G HA3 0.378 4.338 3.960 0.000 0.000 0.301 220 G C -1.021 173.940 174.900 0.101 0.000 1.606 220 G CA -0.530 44.629 45.100 0.098 0.000 1.060 220 G HN 0.311 nan 8.290 nan 0.000 0.540 221 Q N 1.213 121.083 119.800 0.118 0.000 2.162 221 Q HA 0.287 4.627 4.340 0.000 0.000 0.197 221 Q C 1.811 177.848 176.000 0.061 0.000 1.013 221 Q CA -0.842 55.027 55.803 0.109 0.000 1.040 221 Q CB 0.797 29.608 28.738 0.122 0.000 1.114 221 Q HN 0.760 nan 8.270 nan 0.000 0.547 222 M N -0.815 118.816 119.600 0.052 0.000 2.752 222 M HA 0.046 4.526 4.480 0.000 0.000 0.214 222 M C 0.143 176.455 176.300 0.021 0.000 1.123 222 M CA 1.058 56.377 55.300 0.031 0.000 1.017 222 M CB -0.787 31.826 32.600 0.021 0.000 1.785 222 M HN 0.530 nan 8.290 nan 0.000 0.499 223 N N -0.611 118.101 118.700 0.021 0.000 2.227 223 N HA 0.115 4.856 4.740 0.000 0.000 0.196 223 N C -0.518 174.999 175.510 0.011 0.000 1.142 223 N CA -0.538 52.519 53.050 0.012 0.000 0.887 223 N CB 0.298 38.789 38.487 0.008 0.000 1.022 223 N HN 0.429 nan 8.380 nan 0.000 0.500 224 E N 1.523 121.733 120.200 0.016 0.000 2.277 224 E HA 0.294 4.644 4.350 0.000 0.000 0.274 224 E C -2.407 174.199 176.600 0.009 0.000 1.022 224 E CA -2.126 54.282 56.400 0.013 0.000 0.853 224 E CB 0.416 30.127 29.700 0.019 0.000 1.086 224 E HN 0.024 nan 8.360 nan 0.000 0.397 225 P HA -0.107 nan 4.420 nan 0.000 0.271 225 P C -1.896 175.402 177.300 -0.002 0.000 1.212 225 P CA -0.561 62.539 63.100 0.000 0.000 0.788 225 P CB -0.282 31.417 31.700 -0.001 0.000 0.865 226 P HA -0.204 nan 4.420 nan 0.000 0.213 226 P C 1.535 178.824 177.300 -0.019 0.000 1.170 226 P CA 2.221 65.308 63.100 -0.021 0.000 0.902 226 P CB -0.605 31.078 31.700 -0.027 0.000 0.789 227 G N 0.256 109.048 108.800 -0.012 0.000 2.599 227 G HA2 -0.370 3.590 3.960 0.000 0.000 0.219 227 G HA3 -0.370 3.590 3.960 0.000 0.000 0.219 227 G C 1.724 176.630 174.900 0.010 0.000 1.193 227 G CA 1.763 46.861 45.100 -0.002 0.000 0.778 227 G HN 0.385 nan 8.290 nan 0.000 0.589 228 A N 0.402 123.227 122.820 0.009 0.000 1.883 228 A HA -0.083 4.237 4.320 0.000 0.000 0.217 228 A C 2.479 180.077 177.584 0.024 0.000 1.186 228 A CA 1.963 54.009 52.037 0.015 0.000 0.624 228 A CB -0.462 18.546 19.000 0.013 0.000 0.822 228 A HN 0.401 nan 8.150 nan 0.000 0.444 229 R N -0.838 119.675 120.500 0.022 0.000 2.092 229 R HA -0.030 4.310 4.340 0.000 0.000 0.231 229 R C 2.504 178.841 176.300 0.063 0.000 1.119 229 R CA 1.035 57.155 56.100 0.033 0.000 0.970 229 R CB -0.479 29.831 30.300 0.016 0.000 0.864 229 R HN 0.522 nan 8.270 nan 0.000 0.440 230 A N 1.058 123.896 122.820 0.029 0.000 1.958 230 A HA -0.205 4.115 4.320 0.000 0.000 0.221 230 A C 2.001 179.705 177.584 0.201 0.000 1.178 230 A CA 1.499 53.556 52.037 0.034 0.000 0.642 230 A CB -0.190 18.794 19.000 -0.027 0.000 0.816 230 A HN 0.106 nan 8.150 nan 0.000 0.453 231 R N -1.340 119.228 120.500 0.114 0.000 2.140 231 R HA 0.043 4.383 4.340 0.000 0.000 0.200 231 R C 2.277 178.580 176.300 0.005 0.000 1.069 231 R CA 1.287 57.430 56.100 0.071 0.000 1.088 231 R CB -1.450 28.864 30.300 0.024 0.000 1.012 231 R HN 0.603 nan 8.270 nan 0.000 0.500 232 V N 0.198 120.113 119.914 0.002 0.000 2.418 232 V HA -0.260 3.860 4.120 0.000 0.000 0.258 232 V C 2.184 178.234 176.094 -0.074 0.000 1.088 232 V CA 2.197 64.478 62.300 -0.031 0.000 1.091 232 V CB -1.317 30.501 31.823 -0.009 0.000 0.669 232 V HN 0.209 nan 8.190 nan 0.000 0.461 233 A N 0.373 123.149 122.820 -0.074 0.000 2.024 233 A HA -0.056 4.264 4.320 0.000 0.000 0.220 233 A C 2.240 179.688 177.584 -0.226 0.000 1.164 233 A CA 2.293 54.220 52.037 -0.184 0.000 0.643 233 A CB -0.534 18.288 19.000 -0.297 0.000 0.806 233 A HN 0.650 nan 8.150 nan 0.000 0.451 234 L N -1.761 119.348 121.223 -0.191 0.000 2.168 234 L HA -0.066 4.274 4.340 0.000 0.000 0.203 234 L C 2.719 179.503 176.870 -0.144 0.000 1.078 234 L CA 1.235 55.960 54.840 -0.192 0.000 0.780 234 L CB -1.004 40.923 42.059 -0.219 0.000 0.939 234 L HN 0.292 nan 8.230 nan 0.000 0.451 235 T N 0.342 114.823 114.554 -0.121 0.000 2.505 235 T HA -0.266 4.084 4.350 0.000 0.000 0.259 235 T C 1.788 176.447 174.700 -0.068 0.000 1.158 235 T CA 1.996 64.046 62.100 -0.083 0.000 1.190 235 T CB -0.929 67.902 68.868 -0.062 0.000 0.864 235 T HN 0.559 nan 8.240 nan 0.000 0.413 236 G N 1.085 109.837 108.800 -0.080 0.000 2.517 236 G HA2 -0.192 3.768 3.960 0.000 0.000 0.222 236 G HA3 -0.192 3.768 3.960 0.000 0.000 0.222 236 G C 1.486 176.340 174.900 -0.078 0.000 1.109 236 G CA 0.836 45.889 45.100 -0.079 0.000 0.746 236 G HN 0.324 nan 8.290 nan 0.000 0.576 237 L N 1.106 122.267 121.223 -0.105 0.000 1.961 237 L HA -0.050 4.290 4.340 0.000 0.000 0.210 237 L C 3.123 179.972 176.870 -0.035 0.000 1.072 237 L CA 2.583 57.366 54.840 -0.096 0.000 0.749 237 L CB -1.283 40.695 42.059 -0.135 0.000 0.889 237 L HN 0.242 nan 8.230 nan 0.000 0.432 238 T N -0.956 113.581 114.554 -0.028 0.000 2.649 238 T HA -0.256 4.094 4.350 0.000 0.000 0.268 238 T C 1.985 176.736 174.700 0.086 0.000 1.036 238 T CA 1.886 63.997 62.100 0.019 0.000 1.157 238 T CB -0.722 68.148 68.868 0.004 0.000 0.861 238 T HN 0.195 nan 8.240 nan 0.000 0.445 239 V N 1.919 121.884 119.914 0.085 0.000 2.231 239 V HA -0.261 3.859 4.120 0.000 0.000 0.248 239 V C 2.945 179.212 176.094 0.289 0.000 1.054 239 V CA 1.967 64.373 62.300 0.177 0.000 1.015 239 V CB -1.403 30.488 31.823 0.114 0.000 0.638 239 V HN 0.603 nan 8.190 nan 0.000 0.444 240 A N -0.956 121.953 122.820 0.148 0.000 1.948 240 A HA -0.316 4.004 4.320 0.000 0.000 0.220 240 A C 2.185 179.885 177.584 0.193 0.000 1.177 240 A CA 2.262 54.384 52.037 0.143 0.000 0.636 240 A CB -0.592 18.422 19.000 0.023 0.000 0.815 240 A HN 0.660 nan 8.150 nan 0.000 0.449 241 E N -1.607 118.678 120.200 0.142 0.000 2.038 241 E HA -0.237 4.113 4.350 0.000 0.000 0.195 241 E C 1.800 178.479 176.600 0.131 0.000 1.000 241 E CA 1.637 58.100 56.400 0.105 0.000 0.803 241 E CB -0.356 29.388 29.700 0.073 0.000 0.750 241 E HN 0.764 nan 8.360 nan 0.000 0.448 242 Y N 0.440 120.774 120.300 0.057 0.000 1.993 242 Y HA -0.336 4.214 4.550 0.000 0.000 0.267 242 Y C 1.909 177.782 175.900 -0.045 0.000 1.155 242 Y CA 2.155 60.242 58.100 -0.022 0.000 1.105 242 Y CB -0.725 37.683 38.460 -0.088 0.000 0.960 242 Y HN 0.034 nan 8.280 nan 0.000 0.486 243 F N 0.602 120.583 119.950 0.052 0.000 2.257 243 F HA -0.271 4.256 4.527 0.000 0.000 0.302 243 F C 2.724 178.476 175.800 -0.079 0.000 1.056 243 F CA 2.065 60.029 58.000 -0.060 0.000 1.353 243 F CB -0.507 38.539 39.000 0.076 0.000 1.064 243 F HN 0.143 nan 8.300 nan 0.000 0.520 244 R N 0.203 120.751 120.500 0.079 0.000 2.057 244 R HA -0.079 4.261 4.340 0.000 0.000 0.224 244 R C 1.686 177.951 176.300 -0.059 0.000 1.136 244 R CA 1.608 57.728 56.100 0.035 0.000 0.968 244 R CB -0.241 30.081 30.300 0.037 0.000 0.863 244 R HN 0.093 nan 8.270 nan 0.000 0.433 245 D N 1.288 121.619 120.400 -0.115 0.000 2.121 245 D HA -0.094 4.546 4.640 0.000 0.000 0.209 245 D C 0.602 176.768 176.300 -0.224 0.000 0.981 245 D CA 0.895 54.816 54.000 -0.133 0.000 0.875 245 D CB -0.407 40.338 40.800 -0.091 0.000 1.016 245 D HN 0.227 nan 8.370 nan 0.000 0.452 246 Q N 0.963 120.524 119.800 -0.398 0.000 3.047 246 Q HA 0.127 4.467 4.340 0.000 0.000 0.273 246 Q C -0.187 175.459 176.000 -0.590 0.000 1.243 246 Q CA 0.474 55.989 55.803 -0.479 0.000 0.929 246 Q CB 0.256 28.686 28.738 -0.515 0.000 1.721 246 Q HN 0.453 nan 8.270 nan 0.000 0.471 247 E N -0.765 119.239 120.200 -0.327 0.000 1.728 247 E HA 0.063 4.413 4.350 0.000 0.000 0.184 247 E C 0.284 176.848 176.600 -0.060 0.000 0.835 247 E CA 0.414 56.700 56.400 -0.189 0.000 1.178 247 E CB -0.321 29.245 29.700 -0.223 0.000 3.283 247 E HN 0.536 nan 8.360 nan 0.000 0.662 248 G N 2.454 111.210 108.800 -0.072 0.000 2.293 248 G HA2 -0.304 3.656 3.960 0.000 0.000 0.271 248 G HA3 -0.304 3.656 3.960 0.000 0.000 0.271 248 G C -0.024 174.888 174.900 0.020 0.000 0.857 248 G CA 1.622 46.707 45.100 -0.025 0.000 1.221 248 G HN 0.189 nan 8.290 nan 0.000 0.445 249 Q N -0.537 119.301 119.800 0.063 0.000 2.418 249 Q HA 0.574 4.914 4.340 0.000 0.000 0.276 249 Q C -0.741 175.331 176.000 0.120 0.000 1.081 249 Q CA -0.897 54.982 55.803 0.127 0.000 0.864 249 Q CB 1.190 30.105 28.738 0.296 0.000 1.384 249 Q HN 0.139 nan 8.270 nan 0.000 0.467 250 D N 0.755 121.222 120.400 0.113 0.000 2.411 250 D HA 0.273 4.913 4.640 0.000 0.000 0.225 250 D C -1.052 175.369 176.300 0.202 0.000 1.156 250 D CA 0.058 54.131 54.000 0.122 0.000 0.874 250 D CB 0.589 41.432 40.800 0.072 0.000 1.034 250 D HN 0.212 nan 8.370 nan 0.000 0.502 251 V N 3.436 123.445 119.914 0.158 0.000 2.481 251 V HA 0.332 4.452 4.120 0.000 0.000 0.286 251 V C 0.481 176.594 176.094 0.030 0.000 1.042 251 V CA -0.776 61.605 62.300 0.135 0.000 0.928 251 V CB 1.730 33.625 31.823 0.120 0.000 0.986 251 V HN 0.341 nan 8.190 nan 0.000 0.462 252 L N 5.342 126.561 121.223 -0.006 0.000 2.294 252 L HA 0.468 4.808 4.340 0.000 0.000 0.283 252 L C -0.864 175.894 176.870 -0.188 0.000 1.015 252 L CA -0.574 54.165 54.840 -0.169 0.000 0.831 252 L CB 1.514 43.494 42.059 -0.132 0.000 1.217 252 L HN 0.462 nan 8.230 nan 0.000 0.420 253 L N 4.758 125.776 121.223 -0.341 0.000 2.280 253 L HA 0.516 4.856 4.340 0.000 0.000 0.287 253 L C -1.054 175.511 176.870 -0.508 0.000 1.023 253 L CA 0.138 54.806 54.840 -0.286 0.000 0.819 253 L CB 0.794 42.722 42.059 -0.219 0.000 1.212 253 L HN 0.172 nan 8.230 nan 0.000 0.420 254 F N 6.012 125.830 119.950 -0.220 0.000 2.411 254 F HA 0.573 5.100 4.527 0.000 0.000 0.352 254 F C 0.170 175.570 175.800 -0.667 0.000 1.123 254 F CA -0.452 57.339 58.000 -0.348 0.000 1.044 254 F CB 1.152 40.041 39.000 -0.185 0.000 1.135 254 F HN 0.243 nan 8.300 nan 0.000 0.461 255 I N 2.666 123.003 120.570 -0.389 0.000 2.603 255 I HA 0.434 4.604 4.170 0.000 0.000 0.300 255 I C -1.137 174.761 176.117 -0.364 0.000 1.017 255 I CA -0.701 60.319 61.300 -0.467 0.000 1.098 255 I CB 2.192 39.998 38.000 -0.323 0.000 1.279 255 I HN 0.429 nan 8.210 nan 0.000 0.437 256 D N 4.730 124.923 120.400 -0.344 0.000 2.318 256 D HA 0.179 4.819 4.640 0.000 0.000 0.233 256 D C -1.714 174.559 176.300 -0.046 0.000 1.348 256 D CA -0.262 53.669 54.000 -0.115 0.000 0.983 256 D CB 1.064 41.874 40.800 0.016 0.000 1.416 256 D HN 0.455 nan 8.370 nan 0.000 0.558 257 N N 4.503 123.201 118.700 -0.003 0.000 2.461 257 N HA 0.155 4.895 4.740 0.000 0.000 0.284 257 N C 0.948 176.491 175.510 0.054 0.000 1.049 257 N CA -0.514 52.558 53.050 0.037 0.000 0.889 257 N CB 1.479 40.037 38.487 0.118 0.000 1.365 257 N HN 0.291 nan 8.380 nan 0.000 0.499 258 I N 3.966 124.532 120.570 -0.007 0.000 2.399 258 I HA -0.185 3.986 4.170 0.000 0.000 0.254 258 I C 1.663 177.836 176.117 0.093 0.000 1.146 258 I CA 0.958 62.244 61.300 -0.022 0.000 1.412 258 I CB -0.761 37.169 38.000 -0.115 0.000 1.076 258 I HN 0.615 nan 8.210 nan 0.000 0.432 259 F N 1.607 121.578 119.950 0.034 0.000 2.126 259 F HA -0.223 4.304 4.527 0.000 0.000 0.299 259 F C 2.317 178.175 175.800 0.097 0.000 1.096 259 F CA 1.507 59.561 58.000 0.091 0.000 1.255 259 F CB -0.353 38.750 39.000 0.171 0.000 0.997 259 F HN -0.030 nan 8.300 nan 0.000 0.479 260 R N -0.097 120.480 120.500 0.129 0.000 2.293 260 R HA -0.174 4.166 4.340 0.000 0.000 0.219 260 R C 2.038 178.276 176.300 -0.103 0.000 1.091 260 R CA 1.052 57.161 56.100 0.015 0.000 1.004 260 R CB -1.531 28.834 30.300 0.109 0.000 0.865 260 R HN 0.475 nan 8.270 nan 0.000 0.469 261 F N 1.320 121.140 119.950 -0.216 0.000 2.128 261 F HA -0.097 4.430 4.527 0.000 0.000 0.295 261 F C 1.964 177.622 175.800 -0.237 0.000 1.100 261 F CA 1.394 59.281 58.000 -0.189 0.000 1.260 261 F CB -0.378 38.525 39.000 -0.162 0.000 1.009 261 F HN -0.160 nan 8.300 nan 0.000 0.476 262 T N 0.382 114.636 114.554 -0.501 0.000 2.821 262 T HA -0.193 4.157 4.350 0.000 0.000 0.267 262 T C 1.898 176.268 174.700 -0.550 0.000 1.046 262 T CA 1.476 63.198 62.100 -0.631 0.000 1.139 262 T CB -0.297 68.280 68.868 -0.484 0.000 0.871 262 T HN 0.429 nan 8.240 nan 0.000 0.454 263 Q N 0.612 120.024 119.800 -0.648 0.000 2.020 263 Q HA -0.103 4.237 4.340 0.000 0.000 0.202 263 Q C 2.576 178.464 176.000 -0.187 0.000 0.982 263 Q CA 1.544 57.126 55.803 -0.369 0.000 0.838 263 Q CB -0.307 28.205 28.738 -0.377 0.000 0.899 263 Q HN 0.515 nan 8.270 nan 0.000 0.423 264 A N 0.724 123.418 122.820 -0.211 0.000 1.883 264 A HA -0.177 4.143 4.320 0.000 0.000 0.217 264 A C 2.245 179.722 177.584 -0.179 0.000 1.186 264 A CA 1.866 53.815 52.037 -0.147 0.000 0.624 264 A CB -1.622 17.306 19.000 -0.120 0.000 0.822 264 A HN 0.640 nan 8.150 nan 0.000 0.444 265 G N -0.389 108.221 108.800 -0.316 0.000 2.719 265 G HA2 -0.404 3.556 3.960 0.000 0.000 0.219 265 G HA3 -0.404 3.556 3.960 0.000 0.000 0.219 265 G C 1.955 176.769 174.900 -0.142 0.000 1.234 265 G CA 2.259 47.183 45.100 -0.293 0.000 0.788 265 G HN 0.751 nan 8.290 nan 0.000 0.619 266 S N 0.884 116.532 115.700 -0.086 0.000 2.389 266 S HA -0.226 4.244 4.470 0.000 0.000 0.231 266 S C 2.235 176.833 174.600 -0.004 0.000 1.052 266 S CA 2.223 60.439 58.200 0.027 0.000 1.053 266 S CB -0.493 62.807 63.200 0.167 0.000 0.886 266 S HN 0.661 nan 8.310 nan 0.000 0.456 267 E N 0.169 120.353 120.200 -0.026 0.000 2.204 267 E HA -0.070 4.280 4.350 0.000 0.000 0.194 267 E C 2.189 178.773 176.600 -0.026 0.000 0.989 267 E CA 1.392 57.779 56.400 -0.021 0.000 0.824 267 E CB -0.291 29.396 29.700 -0.021 0.000 0.756 267 E HN 0.669 nan 8.360 nan 0.000 0.477 268 V N -0.792 119.099 119.914 -0.039 0.000 2.795 268 V HA -0.001 4.119 4.120 0.000 0.000 0.243 268 V C 2.255 178.331 176.094 -0.032 0.000 1.069 268 V CA 1.415 63.693 62.300 -0.036 0.000 1.089 268 V CB 0.495 32.291 31.823 -0.045 0.000 0.756 268 V HN 0.165 nan 8.190 nan 0.000 0.471 269 S N 0.803 116.483 115.700 -0.034 0.000 2.423 269 S HA -0.202 4.268 4.470 0.000 0.000 0.238 269 S C 2.141 176.732 174.600 -0.014 0.000 1.028 269 S CA 2.147 60.333 58.200 -0.024 0.000 1.000 269 S CB -0.673 62.517 63.200 -0.017 0.000 0.797 269 S HN 1.126 nan 8.310 nan 0.000 0.487 270 A N 0.994 123.806 122.820 -0.013 0.000 1.865 270 A HA -0.022 4.298 4.320 0.000 0.000 0.217 270 A C 2.011 179.587 177.584 -0.013 0.000 1.191 270 A CA 1.898 53.928 52.037 -0.011 0.000 0.623 270 A CB -0.667 18.326 19.000 -0.012 0.000 0.826 270 A HN 0.607 nan 8.150 nan 0.000 0.444 271 L N -1.105 120.107 121.223 -0.017 0.000 2.416 271 L HA 0.219 4.559 4.340 0.000 0.000 0.216 271 L C 2.006 178.863 176.870 -0.022 0.000 1.098 271 L CA 0.231 55.060 54.840 -0.019 0.000 0.840 271 L CB -0.564 41.483 42.059 -0.020 0.000 0.981 271 L HN 0.204 nan 8.230 nan 0.000 0.462 272 L N 1.023 122.232 121.223 -0.024 0.000 2.189 272 L HA -0.175 4.165 4.340 0.000 0.000 0.214 272 L C 1.695 178.553 176.870 -0.020 0.000 1.097 272 L CA 1.500 56.325 54.840 -0.025 0.000 0.764 272 L CB -0.772 41.272 42.059 -0.025 0.000 0.900 272 L HN 0.691 nan 8.230 nan 0.000 0.436 273 G N -0.760 108.030 108.800 -0.016 0.000 2.159 273 G HA2 -0.247 3.713 3.960 0.000 0.000 0.227 273 G HA3 -0.247 3.713 3.960 0.000 0.000 0.227 273 G C 0.159 175.055 174.900 -0.007 0.000 0.986 273 G CA -0.133 44.960 45.100 -0.011 0.000 0.651 273 G HN 0.252 nan 8.290 nan 0.000 0.523 274 R N -0.140 120.356 120.500 -0.006 0.000 2.811 274 R HA 0.516 4.856 4.340 0.000 0.000 0.265 274 R C 1.093 177.394 176.300 0.002 0.000 1.026 274 R CA 0.108 56.207 56.100 -0.001 0.000 1.142 274 R CB 0.311 30.611 30.300 -0.000 0.000 1.027 274 R HN 0.354 nan 8.270 nan 0.000 0.465 275 I N 4.458 125.032 120.570 0.005 0.000 2.371 275 I HA 0.165 4.335 4.170 0.000 0.000 0.290 275 I C -1.590 174.535 176.117 0.013 0.000 1.028 275 I CA -2.051 59.253 61.300 0.007 0.000 1.345 275 I CB 1.102 39.107 38.000 0.008 0.000 1.407 275 I HN 0.375 nan 8.210 nan 0.000 0.501 276 P HA -0.040 nan 4.420 nan 0.000 0.264 276 P C -0.350 176.967 177.300 0.029 0.000 1.179 276 P CA 0.203 63.314 63.100 0.018 0.000 0.763 276 P CB 0.998 32.702 31.700 0.007 0.000 0.806 277 S N 1.826 117.555 115.700 0.049 0.000 2.618 277 S HA 0.632 5.102 4.470 0.000 0.000 0.284 277 S C -0.127 174.512 174.600 0.065 0.000 1.102 277 S CA -0.289 57.947 58.200 0.060 0.000 0.984 277 S CB 0.345 63.593 63.200 0.080 0.000 1.280 277 S HN 0.571 nan 8.310 nan 0.000 0.525 278 A N 0.457 123.328 122.820 0.085 0.000 2.546 278 A HA 0.423 4.743 4.320 0.000 0.000 0.243 278 A C 1.043 178.673 177.584 0.078 0.000 1.063 278 A CA 0.464 52.549 52.037 0.080 0.000 0.757 278 A CB -0.975 18.082 19.000 0.097 0.000 0.991 278 A HN 1.659 nan 8.150 nan 0.000 0.503 279 V N 1.279 121.203 119.914 0.015 0.000 2.886 279 V HA -0.322 3.798 4.120 0.000 0.000 0.162 279 V C 1.834 177.829 176.094 -0.165 0.000 0.448 279 V CA 1.721 63.984 62.300 -0.061 0.000 1.186 279 V CB -2.373 29.420 31.823 -0.051 0.000 1.373 279 V HN 2.935 nan 8.190 nan 0.000 1.100 280 G N -2.473 106.276 108.800 -0.086 0.000 2.195 280 G HA2 -0.327 3.633 3.960 0.000 0.000 0.246 280 G HA3 -0.327 3.633 3.960 0.000 0.000 0.246 280 G C -0.003 174.858 174.900 -0.065 0.000 0.984 280 G CA 0.256 45.299 45.100 -0.095 0.000 0.633 280 G HN 0.822 nan 8.290 nan 0.000 0.525 281 Y N 2.065 122.372 120.300 0.012 0.000 2.335 281 Y HA 0.307 4.857 4.550 0.000 0.000 0.348 281 Y C 1.601 177.491 175.900 -0.017 0.000 1.280 281 Y CA -0.015 58.083 58.100 -0.004 0.000 1.504 281 Y CB 0.365 38.829 38.460 0.006 0.000 1.366 281 Y HN 0.390 nan 8.280 nan 0.000 0.621 282 Q N 1.778 121.687 119.800 0.181 0.000 2.392 282 Q HA 0.054 4.394 4.340 0.000 0.000 0.262 282 Q C -2.433 173.598 176.000 0.052 0.000 1.003 282 Q CA -1.643 54.197 55.803 0.062 0.000 0.888 282 Q CB 0.561 29.297 28.738 -0.004 0.000 1.260 282 Q HN 0.377 nan 8.270 nan 0.000 0.435 283 P HA -0.103 nan 4.420 nan 0.000 0.221 283 P C 0.586 177.898 177.300 0.020 0.000 1.145 283 P CA 1.682 64.800 63.100 0.030 0.000 0.795 283 P CB 0.042 31.754 31.700 0.020 0.000 0.775 284 T N -4.116 110.441 114.554 0.005 0.000 3.242 284 T HA 0.258 4.608 4.350 0.000 0.000 0.253 284 T C 1.052 175.741 174.700 -0.018 0.000 0.946 284 T CA -0.391 61.709 62.100 -0.000 0.000 0.944 284 T CB -0.959 67.907 68.868 -0.003 0.000 1.122 284 T HN -0.031 nan 8.240 nan 0.000 0.546 285 L N 0.553 121.759 121.223 -0.029 0.000 2.156 285 L HA 0.252 4.592 4.340 0.000 0.000 0.208 285 L C 2.565 179.417 176.870 -0.030 0.000 1.095 285 L CA 1.273 56.065 54.840 -0.080 0.000 0.770 285 L CB -0.369 41.604 42.059 -0.144 0.000 0.914 285 L HN 0.462 nan 8.230 nan 0.000 0.439 286 A N -0.887 121.942 122.820 0.015 0.000 1.970 286 A HA -0.085 4.235 4.320 0.000 0.000 0.216 286 A C 2.240 179.876 177.584 0.087 0.000 1.170 286 A CA 1.577 53.650 52.037 0.060 0.000 0.645 286 A CB -0.703 18.337 19.000 0.067 0.000 0.816 286 A HN 0.566 nan 8.150 nan 0.000 0.447 287 T N -3.308 111.286 114.554 0.066 0.000 2.980 287 T HA -0.011 4.339 4.350 0.000 0.000 0.239 287 T C 1.429 176.181 174.700 0.087 0.000 1.011 287 T CA 0.948 63.094 62.100 0.077 0.000 1.171 287 T CB -0.604 68.299 68.868 0.059 0.000 0.873 287 T HN 0.164 nan 8.240 nan 0.000 0.431 288 D N 1.226 121.669 120.400 0.071 0.000 2.347 288 D HA -0.223 4.417 4.640 0.000 0.000 0.189 288 D C 1.826 178.257 176.300 0.219 0.000 1.020 288 D CA 2.009 56.071 54.000 0.104 0.000 0.875 288 D CB -0.374 40.424 40.800 -0.003 0.000 0.928 288 D HN 0.491 nan 8.370 nan 0.000 0.454 289 M N -0.284 119.416 119.600 0.165 0.000 2.111 289 M HA -0.048 4.432 4.480 0.000 0.000 0.257 289 M C 2.298 178.614 176.300 0.026 0.000 1.096 289 M CA 2.359 57.748 55.300 0.149 0.000 1.117 289 M CB -0.757 31.860 32.600 0.028 0.000 1.265 289 M HN 0.052 nan 8.290 nan 0.000 0.427 290 G N -0.077 108.767 108.800 0.072 0.000 2.681 290 G HA2 -0.398 3.562 3.960 0.000 0.000 0.224 290 G HA3 -0.398 3.562 3.960 0.000 0.000 0.224 290 G C 1.421 176.407 174.900 0.143 0.000 1.100 290 G CA 2.244 47.480 45.100 0.227 0.000 0.743 290 G HN 0.719 nan 8.290 nan 0.000 0.612 291 T N -1.491 113.120 114.554 0.094 0.000 2.542 291 T HA -0.191 4.159 4.350 0.000 0.000 0.257 291 T C 2.218 176.933 174.700 0.025 0.000 1.111 291 T CA 2.136 64.278 62.100 0.070 0.000 1.203 291 T CB -0.477 68.439 68.868 0.079 0.000 0.866 291 T HN 0.099 nan 8.240 nan 0.000 0.399 292 M N 0.893 120.487 119.600 -0.011 0.000 2.186 292 M HA -0.255 4.225 4.480 0.000 0.000 0.249 292 M C 2.274 178.481 176.300 -0.155 0.000 1.081 292 M CA 2.167 57.384 55.300 -0.139 0.000 1.072 292 M CB -1.186 31.217 32.600 -0.329 0.000 1.318 292 M HN 0.425 nan 8.290 nan 0.000 0.405 293 Q N -0.059 119.660 119.800 -0.134 0.000 2.083 293 Q HA -0.084 4.256 4.340 0.000 0.000 0.198 293 Q C 1.843 177.846 176.000 0.005 0.000 0.969 293 Q CA 1.260 56.982 55.803 -0.136 0.000 0.838 293 Q CB -0.356 28.180 28.738 -0.337 0.000 0.900 293 Q HN 0.628 nan 8.270 nan 0.000 0.436 294 E N 0.223 120.465 120.200 0.071 0.000 2.478 294 E HA -0.086 4.264 4.350 0.000 0.000 0.198 294 E C 1.774 178.387 176.600 0.021 0.000 1.046 294 E CA 0.203 56.648 56.400 0.074 0.000 0.870 294 E CB 0.150 29.903 29.700 0.088 0.000 0.818 294 E HN 0.279 nan 8.360 nan 0.000 0.527 295 R N 0.118 120.614 120.500 -0.007 0.000 2.093 295 R HA 0.059 4.399 4.340 0.000 0.000 0.224 295 R C 0.920 177.198 176.300 -0.036 0.000 1.101 295 R CA 0.307 56.394 56.100 -0.020 0.000 0.979 295 R CB -0.042 30.239 30.300 -0.032 0.000 0.877 295 R HN 0.011 nan 8.270 nan 0.000 0.441 296 I N 2.065 122.599 120.570 -0.059 0.000 2.577 296 I HA -0.059 4.111 4.170 0.000 0.000 0.299 296 I C 0.226 176.312 176.117 -0.051 0.000 1.157 296 I CA 0.805 62.061 61.300 -0.074 0.000 1.418 296 I CB 0.299 38.232 38.000 -0.112 0.000 1.467 296 I HN 0.020 nan 8.210 nan 0.000 0.624 297 T N 2.706 117.234 114.554 -0.043 0.000 2.830 297 T HA 0.300 4.650 4.350 0.000 0.000 0.322 297 T C -0.506 174.172 174.700 -0.036 0.000 1.501 297 T CA -0.600 61.477 62.100 -0.038 0.000 1.036 297 T CB 1.383 70.236 68.868 -0.026 0.000 1.379 297 T HN 0.219 nan 8.240 nan 0.000 0.493 298 T N 3.537 118.068 114.554 -0.038 0.000 2.749 298 T HA 0.574 4.924 4.350 0.000 0.000 0.295 298 T C 0.555 175.232 174.700 -0.038 0.000 0.936 298 T CA -0.154 61.926 62.100 -0.033 0.000 1.060 298 T CB 0.517 69.366 68.868 -0.031 0.000 0.904 298 T HN 0.871 nan 8.240 nan 0.000 0.500 299 T N 1.094 115.628 114.554 -0.033 0.000 2.889 299 T HA 0.476 4.826 4.350 0.000 0.000 0.278 299 T C 1.368 176.046 174.700 -0.037 0.000 0.995 299 T CA -0.961 61.114 62.100 -0.040 0.000 0.966 299 T CB 1.228 70.076 68.868 -0.034 0.000 1.237 299 T HN 0.367 nan 8.240 nan 0.000 0.591 300 K N 0.104 120.479 120.400 -0.041 0.000 2.063 300 K HA -0.087 4.233 4.320 0.000 0.000 0.208 300 K C 2.264 178.849 176.600 -0.025 0.000 1.048 300 K CA 1.411 57.678 56.287 -0.034 0.000 0.928 300 K CB -0.173 32.306 32.500 -0.035 0.000 0.713 300 K HN 0.517 nan 8.250 nan 0.000 0.442 301 K N 0.220 120.605 120.400 -0.025 0.000 1.978 301 K HA -0.076 4.244 4.320 0.000 0.000 0.221 301 K C 1.306 177.895 176.600 -0.019 0.000 1.036 301 K CA 1.501 57.773 56.287 -0.025 0.000 0.996 301 K CB -0.442 32.040 32.500 -0.031 0.000 0.755 301 K HN 0.214 nan 8.250 nan 0.000 0.445 302 G N -0.795 107.995 108.800 -0.017 0.000 2.543 302 G HA2 0.305 4.265 3.960 0.000 0.000 0.267 302 G HA3 0.305 4.265 3.960 0.000 0.000 0.267 302 G C -1.118 173.785 174.900 0.004 0.000 1.406 302 G CA -0.344 44.756 45.100 -0.000 0.000 1.048 302 G HN 0.317 nan 8.290 nan 0.000 0.548 303 S N -0.837 114.875 115.700 0.020 0.000 2.545 303 S HA 0.402 4.872 4.470 0.000 0.000 0.259 303 S C -1.057 173.552 174.600 0.016 0.000 1.092 303 S CA -0.705 57.503 58.200 0.013 0.000 1.054 303 S CB 0.105 63.316 63.200 0.018 0.000 1.146 303 S HN 0.465 nan 8.310 nan 0.000 0.447 304 I N 4.359 124.921 120.570 -0.013 0.000 2.330 304 I HA 0.302 4.472 4.170 0.000 0.000 0.289 304 I C 0.081 176.148 176.117 -0.084 0.000 1.001 304 I CA -0.599 60.675 61.300 -0.043 0.000 1.193 304 I CB 1.815 39.782 38.000 -0.055 0.000 1.345 304 I HN 0.458 nan 8.210 nan 0.000 0.461 305 T N 4.337 118.822 114.554 -0.114 0.000 2.739 305 T HA 0.196 4.546 4.350 0.000 0.000 0.298 305 T C 0.390 174.908 174.700 -0.304 0.000 0.929 305 T CA -0.470 61.524 62.100 -0.177 0.000 1.014 305 T CB 0.393 69.163 68.868 -0.163 0.000 0.914 305 T HN 0.717 nan 8.240 nan 0.000 0.509 306 S N 2.540 118.068 115.700 -0.288 0.000 2.525 306 S HA 0.660 5.130 4.470 0.000 0.000 0.290 306 S C -0.473 173.879 174.600 -0.414 0.000 1.152 306 S CA -0.720 57.267 58.200 -0.355 0.000 1.072 306 S CB 1.181 64.232 63.200 -0.247 0.000 1.027 306 S HN 0.390 nan 8.310 nan 0.000 0.500 307 V N 4.157 123.776 119.914 -0.492 0.000 2.398 307 V HA 0.365 4.485 4.120 0.000 0.000 0.282 307 V C -0.802 175.141 176.094 -0.251 0.000 1.014 307 V CA -0.541 61.529 62.300 -0.383 0.000 0.838 307 V CB 1.088 32.701 31.823 -0.349 0.000 1.018 307 V HN 0.977 nan 8.190 nan 0.000 0.432 308 Q N 3.428 123.082 119.800 -0.243 0.000 2.325 308 Q HA 0.774 5.114 4.340 0.000 0.000 0.262 308 Q C -0.051 175.821 176.000 -0.214 0.000 0.968 308 Q CA -0.538 55.131 55.803 -0.223 0.000 0.877 308 Q CB 2.553 31.146 28.738 -0.243 0.000 1.253 308 Q HN 0.768 nan 8.270 nan 0.000 0.448 309 A N 4.221 126.956 122.820 -0.141 0.000 2.409 309 A HA 0.498 4.818 4.320 0.000 0.000 0.262 309 A C -0.271 177.242 177.584 -0.117 0.000 1.113 309 A CA -0.342 51.632 52.037 -0.105 0.000 0.790 309 A CB 0.056 19.051 19.000 -0.008 0.000 1.046 309 A HN 0.767 nan 8.150 nan 0.000 0.496 310 I N 2.937 123.393 120.570 -0.191 0.000 2.411 310 I HA 0.205 4.375 4.170 0.000 0.000 0.284 310 I C -0.620 175.504 176.117 0.012 0.000 1.012 310 I CA -0.570 60.639 61.300 -0.150 0.000 1.119 310 I CB 1.155 38.803 38.000 -0.587 0.000 1.261 310 I HN 0.758 nan 8.210 nan 0.000 0.448 311 Y N 7.119 127.401 120.300 -0.029 0.000 2.336 311 Y HA 0.453 5.003 4.550 0.000 0.000 0.331 311 Y C -0.472 175.275 175.900 -0.256 0.000 1.211 311 Y CA -0.166 57.828 58.100 -0.177 0.000 1.346 311 Y CB 1.139 39.400 38.460 -0.332 0.000 1.271 311 Y HN 0.288 nan 8.280 nan 0.000 0.538 312 V N 7.918 127.275 119.914 -0.928 0.000 2.349 312 V HA 0.316 4.436 4.120 0.000 0.000 0.284 312 V C -2.405 173.194 176.094 -0.824 0.000 1.014 312 V CA -2.113 59.837 62.300 -0.585 0.000 0.826 312 V CB 1.047 32.725 31.823 -0.242 0.000 1.009 312 V HN 0.707 nan 8.190 nan 0.000 0.431 313 P HA 0.232 nan 4.420 nan 0.000 0.271 313 P C 0.603 177.830 177.300 -0.121 0.000 1.220 313 P CA 0.504 63.478 63.100 -0.209 0.000 0.768 313 P CB 0.909 32.661 31.700 0.087 0.000 0.848 314 A N 3.484 126.257 122.820 -0.079 0.000 2.798 314 A HA -0.264 4.056 4.320 0.000 0.000 0.282 314 A C 0.838 178.381 177.584 -0.068 0.000 1.464 314 A CA 1.302 53.315 52.037 -0.040 0.000 0.844 314 A CB -2.694 16.305 19.000 -0.002 0.000 1.006 314 A HN 0.593 nan 8.150 nan 0.000 0.577 315 D N -1.915 118.405 120.400 -0.134 0.000 3.059 315 D HA -0.167 4.473 4.640 0.000 0.000 0.220 315 D C -0.227 176.035 176.300 -0.064 0.000 1.169 315 D CA 2.009 55.944 54.000 -0.108 0.000 0.902 315 D CB -1.111 39.649 40.800 -0.067 0.000 1.116 315 D HN 0.896 nan 8.370 nan 0.000 0.417 316 D N 0.456 120.826 120.400 -0.050 0.000 2.422 316 D HA 0.151 4.791 4.640 0.000 0.000 0.227 316 D C 1.388 177.698 176.300 0.018 0.000 1.190 316 D CA -0.272 53.724 54.000 -0.007 0.000 0.905 316 D CB 0.125 40.936 40.800 0.017 0.000 1.034 316 D HN 0.198 nan 8.370 nan 0.000 0.507 317 L N 2.724 123.953 121.223 0.010 0.000 2.633 317 L HA -0.086 4.254 4.340 0.000 0.000 0.235 317 L C 1.920 178.828 176.870 0.063 0.000 1.163 317 L CA 1.095 55.957 54.840 0.038 0.000 0.859 317 L CB -0.246 41.811 42.059 -0.004 0.000 0.973 317 L HN 0.464 nan 8.230 nan 0.000 0.451 318 T N -5.680 108.906 114.554 0.052 0.000 3.001 318 T HA -0.020 4.330 4.350 0.000 0.000 0.251 318 T C 0.769 175.537 174.700 0.113 0.000 1.040 318 T CA -0.479 61.658 62.100 0.061 0.000 0.985 318 T CB -0.023 68.862 68.868 0.028 0.000 1.011 318 T HN 0.142 nan 8.240 nan 0.000 0.509 319 D N 3.035 123.518 120.400 0.139 0.000 2.533 319 D HA 0.020 4.660 4.640 0.000 0.000 0.236 319 D C -1.359 175.095 176.300 0.257 0.000 1.137 319 D CA -1.192 52.941 54.000 0.222 0.000 0.867 319 D CB 1.436 42.388 40.800 0.253 0.000 1.170 319 D HN 0.012 nan 8.370 nan 0.000 0.474 320 P HA -0.296 nan 4.420 nan 0.000 0.222 320 P C 0.996 178.343 177.300 0.079 0.000 1.159 320 P CA 2.661 65.863 63.100 0.170 0.000 0.920 320 P CB 0.005 31.825 31.700 0.201 0.000 0.793 321 A N -0.452 122.383 122.820 0.024 0.000 1.848 321 A HA -0.199 4.121 4.320 0.000 0.000 0.217 321 A C 0.059 177.774 177.584 0.218 0.000 1.220 321 A CA 3.114 55.184 52.037 0.055 0.000 0.645 321 A CB -2.432 16.748 19.000 0.300 0.000 0.842 321 A HN 0.218 nan 8.150 nan 0.000 0.451 322 P HA -0.100 nan 4.420 nan 0.000 0.215 322 P C 1.778 179.281 177.300 0.337 0.000 1.153 322 P CA 2.019 65.329 63.100 0.350 0.000 0.853 322 P CB -0.242 31.637 31.700 0.298 0.000 0.788 323 A N -0.813 122.191 122.820 0.306 0.000 1.884 323 A HA -0.274 4.046 4.320 0.000 0.000 0.219 323 A C 2.347 180.128 177.584 0.328 0.000 1.197 323 A CA 2.897 55.123 52.037 0.315 0.000 0.637 323 A CB -1.996 17.113 19.000 0.180 0.000 0.827 323 A HN 0.172 nan 8.150 nan 0.000 0.450 324 T N -0.696 113.995 114.554 0.228 0.000 2.737 324 T HA -0.097 4.253 4.350 0.000 0.000 0.265 324 T C 2.001 176.872 174.700 0.285 0.000 1.038 324 T CA 1.834 64.059 62.100 0.208 0.000 1.144 324 T CB -0.564 68.378 68.868 0.122 0.000 0.866 324 T HN 0.567 nan 8.240 nan 0.000 0.434 325 T N 1.614 116.308 114.554 0.235 0.000 2.802 325 T HA -0.111 4.239 4.350 0.000 0.000 0.269 325 T C 1.486 176.368 174.700 0.304 0.000 1.062 325 T CA 1.060 63.276 62.100 0.192 0.000 1.133 325 T CB -0.579 68.353 68.868 0.106 0.000 0.852 325 T HN 0.341 nan 8.240 nan 0.000 0.485 326 F N 1.502 121.645 119.950 0.322 0.000 2.161 326 F HA -0.089 4.438 4.527 0.000 0.000 0.300 326 F C 2.607 178.526 175.800 0.199 0.000 1.089 326 F CA 0.838 59.001 58.000 0.270 0.000 1.282 326 F CB -0.612 38.438 39.000 0.082 0.000 1.010 326 F HN 0.136 nan 8.300 nan 0.000 0.485 327 A N -0.829 122.212 122.820 0.368 0.000 1.971 327 A HA -0.267 4.053 4.320 0.000 0.000 0.222 327 A C 1.696 179.320 177.584 0.067 0.000 1.182 327 A CA 2.033 54.171 52.037 0.167 0.000 0.649 327 A CB -1.098 17.953 19.000 0.086 0.000 0.818 327 A HN 0.541 nan 8.150 nan 0.000 0.458 328 H N -1.620 117.515 119.070 0.108 0.000 2.524 328 H HA 0.383 4.939 4.556 0.000 0.000 0.280 328 H C -0.243 175.107 175.328 0.038 0.000 1.018 328 H CA 0.037 56.117 56.048 0.054 0.000 1.165 328 H CB -0.043 29.732 29.762 0.022 0.000 1.411 328 H HN 0.346 nan 8.280 nan 0.000 0.569 329 L N -0.297 121.024 121.223 0.164 0.000 2.301 329 L HA 0.254 4.594 4.340 0.000 0.000 0.264 329 L C 0.607 177.538 176.870 0.102 0.000 1.016 329 L CA -0.638 54.269 54.840 0.113 0.000 0.821 329 L CB 1.967 44.103 42.059 0.129 0.000 1.346 329 L HN -0.092 nan 8.230 nan 0.000 0.429 330 D N 0.171 120.617 120.400 0.077 0.000 2.455 330 D HA 0.257 4.897 4.640 0.000 0.000 0.228 330 D C 0.034 176.399 176.300 0.108 0.000 1.070 330 D CA 0.474 54.519 54.000 0.075 0.000 0.881 330 D CB 1.442 42.268 40.800 0.044 0.000 1.087 330 D HN 0.494 nan 8.370 nan 0.000 0.498 331 A N 0.812 123.712 122.820 0.132 0.000 2.422 331 A HA 0.598 4.918 4.320 0.000 0.000 0.302 331 A C -0.405 177.316 177.584 0.229 0.000 1.041 331 A CA -0.531 51.628 52.037 0.204 0.000 0.708 331 A CB 1.523 20.712 19.000 0.316 0.000 1.257 331 A HN -0.025 nan 8.150 nan 0.000 0.414 332 T N -0.797 113.920 114.554 0.272 0.000 2.863 332 T HA 0.765 5.115 4.350 0.000 0.000 0.285 332 T C -0.477 174.419 174.700 0.328 0.000 1.009 332 T CA -0.573 61.724 62.100 0.328 0.000 0.989 332 T CB 1.624 70.766 68.868 0.457 0.000 1.004 332 T HN 0.492 nan 8.240 nan 0.000 0.455 333 T N 2.500 117.256 114.554 0.338 0.000 2.815 333 T HA 0.568 4.918 4.350 0.000 0.000 0.289 333 T C -0.341 174.549 174.700 0.316 0.000 1.000 333 T CA -0.607 61.668 62.100 0.292 0.000 0.958 333 T CB 1.077 70.122 68.868 0.294 0.000 0.944 333 T HN 0.692 nan 8.240 nan 0.000 0.442 334 V N 4.966 125.041 119.914 0.269 0.000 2.398 334 V HA 0.526 4.646 4.120 0.000 0.000 0.286 334 V C -0.213 175.976 176.094 0.158 0.000 1.026 334 V CA -0.961 61.492 62.300 0.256 0.000 0.868 334 V CB 1.310 33.250 31.823 0.195 0.000 0.982 334 V HN 0.734 nan 8.190 nan 0.000 0.443 335 L N 4.383 125.692 121.223 0.143 0.000 2.296 335 L HA 0.655 4.995 4.340 0.000 0.000 0.286 335 L C 0.335 177.229 176.870 0.040 0.000 1.023 335 L CA -0.224 54.665 54.840 0.081 0.000 0.812 335 L CB 1.974 44.084 42.059 0.085 0.000 1.223 335 L HN 0.818 nan 8.230 nan 0.000 0.421 336 S N 2.727 118.430 115.700 0.004 0.000 2.472 336 S HA 0.383 4.853 4.470 0.000 0.000 0.303 336 S C 0.753 175.327 174.600 -0.042 0.000 1.099 336 S CA -0.826 57.365 58.200 -0.017 0.000 1.077 336 S CB 2.163 65.350 63.200 -0.020 0.000 1.031 336 S HN 0.739 nan 8.310 nan 0.000 0.487 337 R N 2.246 122.724 120.500 -0.036 0.000 2.091 337 R HA -0.129 4.211 4.340 0.000 0.000 0.238 337 R C 2.343 178.610 176.300 -0.055 0.000 1.136 337 R CA 1.718 57.793 56.100 -0.041 0.000 0.959 337 R CB -1.009 29.275 30.300 -0.026 0.000 0.856 337 R HN 0.910 nan 8.270 nan 0.000 0.437 338 A N 1.107 123.900 122.820 -0.046 0.000 1.903 338 A HA -0.231 4.089 4.320 0.000 0.000 0.219 338 A C 2.134 179.682 177.584 -0.060 0.000 1.191 338 A CA 1.840 53.850 52.037 -0.045 0.000 0.638 338 A CB -0.596 18.380 19.000 -0.040 0.000 0.823 338 A HN 0.385 nan 8.150 nan 0.000 0.451 339 I N -0.864 119.661 120.570 -0.074 0.000 2.162 339 I HA -0.211 3.959 4.170 0.000 0.000 0.238 339 I C 3.033 179.041 176.117 -0.182 0.000 1.076 339 I CA 0.946 62.189 61.300 -0.094 0.000 1.353 339 I CB -0.535 37.417 38.000 -0.080 0.000 1.063 339 I HN 0.369 nan 8.210 nan 0.000 0.408 340 A N 0.445 123.102 122.820 -0.272 0.000 1.958 340 A HA -0.278 4.042 4.320 0.000 0.000 0.221 340 A C 2.116 179.539 177.584 -0.269 0.000 1.178 340 A CA 1.929 53.660 52.037 -0.510 0.000 0.642 340 A CB -0.750 18.010 19.000 -0.399 0.000 0.816 340 A HN 0.488 nan 8.150 nan 0.000 0.453 341 E N -0.725 119.405 120.200 -0.117 0.000 2.409 341 E HA -0.045 4.305 4.350 0.000 0.000 0.198 341 E C 0.665 177.246 176.600 -0.032 0.000 1.024 341 E CA 0.436 56.812 56.400 -0.040 0.000 0.861 341 E CB -0.161 29.524 29.700 -0.024 0.000 0.788 341 E HN 0.660 nan 8.360 nan 0.000 0.521 342 L N -0.349 120.840 121.223 -0.058 0.000 2.791 342 L HA 0.260 4.600 4.340 0.000 0.000 0.239 342 L C 1.171 178.028 176.870 -0.022 0.000 1.203 342 L CA -0.070 54.747 54.840 -0.037 0.000 1.002 342 L CB 0.128 42.168 42.059 -0.032 0.000 1.295 342 L HN 0.122 nan 8.230 nan 0.000 0.504 343 G N 0.853 109.655 108.800 0.004 0.000 2.200 343 G HA2 -0.290 3.670 3.960 0.000 0.000 0.267 343 G HA3 -0.290 3.670 3.960 0.000 0.000 0.267 343 G C 0.443 175.487 174.900 0.240 0.000 0.993 343 G CA -0.063 45.137 45.100 0.168 0.000 0.701 343 G HN 0.305 nan 8.290 nan 0.000 0.524 344 I N 1.214 121.797 120.570 0.022 0.000 2.278 344 I HA 0.275 4.445 4.170 0.000 0.000 0.300 344 I C 0.181 176.200 176.117 -0.163 0.000 1.174 344 I CA -0.434 60.909 61.300 0.071 0.000 1.347 344 I CB -0.992 37.036 38.000 0.047 0.000 1.473 344 I HN 0.072 nan 8.210 nan 0.000 0.595 345 Y N 7.114 127.423 120.300 0.015 0.000 2.387 345 Y HA 0.385 4.935 4.550 0.000 0.000 0.330 345 Y C -1.787 173.991 175.900 -0.203 0.000 1.133 345 Y CA -2.448 55.581 58.100 -0.117 0.000 1.152 345 Y CB 1.044 39.399 38.460 -0.175 0.000 1.215 345 Y HN 0.375 nan 8.280 nan 0.000 0.466 346 P HA 0.091 nan 4.420 nan 0.000 0.275 346 P C -0.622 176.665 177.300 -0.021 0.000 1.227 346 P CA -0.283 62.778 63.100 -0.064 0.000 0.781 346 P CB 1.133 32.798 31.700 -0.058 0.000 0.906 347 A N 3.757 126.541 122.820 -0.061 0.000 2.863 347 A HA 0.166 4.486 4.320 0.000 0.000 0.246 347 A C 0.509 178.084 177.584 -0.016 0.000 1.772 347 A CA -0.103 51.859 52.037 -0.125 0.000 1.456 347 A CB -1.365 17.521 19.000 -0.190 0.000 0.930 347 A HN 0.388 nan 8.150 nan 0.000 0.630 348 V N 1.247 121.178 119.914 0.028 0.000 2.461 348 V HA 0.081 4.201 4.120 0.000 0.000 0.275 348 V C 0.258 176.382 176.094 0.050 0.000 1.047 348 V CA -0.588 61.750 62.300 0.064 0.000 0.955 348 V CB 1.349 33.227 31.823 0.092 0.000 0.988 348 V HN 0.591 nan 8.190 nan 0.000 0.471 349 D N 7.334 127.765 120.400 0.052 0.000 2.344 349 D HA 0.190 4.830 4.640 0.000 0.000 0.253 349 D C -1.676 174.647 176.300 0.038 0.000 1.255 349 D CA -1.887 52.135 54.000 0.036 0.000 0.894 349 D CB 1.862 42.681 40.800 0.031 0.000 1.067 349 D HN 0.245 nan 8.370 nan 0.000 0.492 350 P HA 0.021 nan 4.420 nan 0.000 0.229 350 P C 0.773 178.075 177.300 0.004 0.000 1.160 350 P CA 0.688 63.800 63.100 0.020 0.000 0.777 350 P CB 0.300 32.016 31.700 0.025 0.000 0.814 351 L N -1.366 119.859 121.223 0.003 0.000 2.872 351 L HA 0.259 4.599 4.340 0.000 0.000 0.245 351 L C 0.858 177.721 176.870 -0.012 0.000 1.211 351 L CA 0.391 55.225 54.840 -0.011 0.000 1.013 351 L CB 0.087 42.136 42.059 -0.016 0.000 1.326 351 L HN -0.086 nan 8.230 nan 0.000 0.525 352 D N -1.351 119.053 120.400 0.006 0.000 2.410 352 D HA 0.055 4.695 4.640 0.000 0.000 0.275 352 D C 0.332 176.666 176.300 0.057 0.000 1.152 352 D CA 0.248 54.252 54.000 0.007 0.000 0.825 352 D CB 0.894 41.693 40.800 -0.001 0.000 1.312 352 D HN -0.096 nan 8.370 nan 0.000 0.532 353 S N 0.178 115.922 115.700 0.074 0.000 2.525 353 S HA 0.623 5.093 4.470 0.000 0.000 0.278 353 S C 0.021 174.673 174.600 0.086 0.000 1.234 353 S CA -0.315 57.956 58.200 0.117 0.000 1.058 353 S CB 1.508 64.777 63.200 0.115 0.000 0.983 353 S HN 0.325 nan 8.310 nan 0.000 0.495 354 T N -0.463 114.162 114.554 0.119 0.000 2.896 354 T HA 0.745 5.095 4.350 0.000 0.000 0.297 354 T C -0.695 174.071 174.700 0.110 0.000 1.108 354 T CA -0.820 61.333 62.100 0.088 0.000 1.004 354 T CB 1.808 70.724 68.868 0.080 0.000 1.159 354 T HN 0.368 nan 8.240 nan 0.000 0.499 355 S N -0.431 115.315 115.700 0.078 0.000 2.538 355 S HA 0.448 4.918 4.470 0.000 0.000 0.288 355 S C 0.290 174.930 174.600 0.067 0.000 1.108 355 S CA -0.882 57.370 58.200 0.088 0.000 0.971 355 S CB 1.402 64.649 63.200 0.078 0.000 1.041 355 S HN 0.724 nan 8.310 nan 0.000 0.483 356 R N 2.771 123.313 120.500 0.070 0.000 2.526 356 R HA 0.216 4.556 4.340 0.000 0.000 0.223 356 R C 1.075 177.398 176.300 0.038 0.000 1.250 356 R CA 0.655 56.786 56.100 0.052 0.000 1.227 356 R CB -0.611 29.719 30.300 0.049 0.000 1.109 356 R HN 0.688 nan 8.270 nan 0.000 0.499 357 I N -4.202 116.389 120.570 0.036 0.000 4.453 357 I HA 0.256 4.426 4.170 0.000 0.000 0.342 357 I C -0.309 175.812 176.117 0.006 0.000 1.341 357 I CA -0.590 60.721 61.300 0.019 0.000 1.217 357 I CB 0.531 38.544 38.000 0.023 0.000 1.545 357 I HN -0.037 nan 8.210 nan 0.000 0.557 358 M N 3.257 122.871 119.600 0.022 0.000 2.685 358 M HA 0.358 4.838 4.480 0.000 0.000 0.316 358 M C -1.134 175.265 176.300 0.164 0.000 1.523 358 M CA 0.345 55.673 55.300 0.047 0.000 1.472 358 M CB -1.214 31.401 32.600 0.025 0.000 1.525 358 M HN 0.384 nan 8.290 nan 0.000 0.471 359 D N 5.179 125.627 120.400 0.080 0.000 2.726 359 D HA 0.340 4.980 4.640 0.000 0.000 0.203 359 D C -2.590 173.605 176.300 -0.174 0.000 1.297 359 D CA -1.100 52.827 54.000 -0.122 0.000 0.863 359 D CB 1.890 42.644 40.800 -0.076 0.000 1.669 359 D HN 0.156 nan 8.370 nan 0.000 0.561 360 P HA -0.080 nan 4.420 nan 0.000 0.216 360 P C 0.938 178.179 177.300 -0.099 0.000 1.150 360 P CA 0.842 63.820 63.100 -0.204 0.000 0.837 360 P CB 0.279 31.798 31.700 -0.301 0.000 0.786 361 N N -0.668 117.962 118.700 -0.117 0.000 2.348 361 N HA -0.091 4.649 4.740 0.000 0.000 0.185 361 N C 1.557 177.046 175.510 -0.035 0.000 1.019 361 N CA 1.082 54.093 53.050 -0.065 0.000 0.880 361 N CB -0.393 38.053 38.487 -0.068 0.000 0.965 361 N HN 0.311 nan 8.380 nan 0.000 0.437 362 I N -0.536 120.014 120.570 -0.034 0.000 3.616 362 I HA -0.004 4.166 4.170 0.000 0.000 0.296 362 I C 1.608 177.734 176.117 0.015 0.000 1.226 362 I CA 0.402 61.697 61.300 -0.008 0.000 1.394 362 I CB 0.286 38.281 38.000 -0.010 0.000 1.171 362 I HN -0.078 nan 8.210 nan 0.000 0.442 363 V N -1.855 118.068 119.914 0.015 0.000 3.556 363 V HA 0.584 4.704 4.120 0.000 0.000 0.287 363 V C 0.756 176.928 176.094 0.131 0.000 1.422 363 V CA 0.138 62.479 62.300 0.068 0.000 1.038 363 V CB -0.190 31.582 31.823 -0.085 0.000 0.850 363 V HN 0.398 nan 8.190 nan 0.000 0.437 364 G N 1.950 110.796 108.800 0.076 0.000 3.445 364 G HA2 -0.128 3.833 3.960 0.000 0.000 0.680 364 G HA3 -0.128 3.833 3.960 0.000 0.000 0.680 364 G C 0.211 175.180 174.900 0.114 0.000 0.972 364 G CA 0.216 45.363 45.100 0.080 0.000 0.798 364 G HN 1.667 nan 8.290 nan 0.000 0.461 365 S N 0.448 116.195 115.700 0.077 0.000 2.977 365 S HA 0.033 4.503 4.470 0.000 0.000 0.241 365 S C 1.203 175.878 174.600 0.124 0.000 0.994 365 S CA 1.300 59.569 58.200 0.115 0.000 1.054 365 S CB 0.342 63.575 63.200 0.055 0.000 0.818 365 S HN 0.869 nan 8.310 nan 0.000 0.534 366 E N 0.469 120.743 120.200 0.124 0.000 2.162 366 E HA -0.061 4.289 4.350 0.000 0.000 0.193 366 E C 1.761 178.448 176.600 0.144 0.000 0.953 366 E CA 0.078 56.540 56.400 0.103 0.000 0.849 366 E CB -0.175 29.565 29.700 0.067 0.000 0.810 366 E HN 0.854 nan 8.360 nan 0.000 0.470 367 H N -0.907 118.193 119.070 0.049 0.000 2.267 367 H HA -0.221 4.335 4.556 0.000 0.000 0.297 367 H C 2.055 177.408 175.328 0.041 0.000 1.080 367 H CA 1.778 57.846 56.048 0.033 0.000 1.278 367 H CB -0.089 29.699 29.762 0.044 0.000 1.365 367 H HN 0.212 nan 8.280 nan 0.000 0.489 368 Y N 1.309 121.647 120.300 0.064 0.000 2.315 368 Y HA -0.219 4.331 4.550 0.000 0.000 0.288 368 Y C 1.547 177.445 175.900 -0.004 0.000 1.154 368 Y CA 1.824 59.905 58.100 -0.032 0.000 1.229 368 Y CB -0.055 38.379 38.460 -0.042 0.000 0.980 368 Y HN 0.363 nan 8.280 nan 0.000 0.540 369 D N -1.359 119.104 120.400 0.106 0.000 2.216 369 D HA -0.090 4.550 4.640 0.000 0.000 0.208 369 D C 2.298 178.579 176.300 -0.032 0.000 0.960 369 D CA 1.142 55.163 54.000 0.035 0.000 0.861 369 D CB -0.199 40.650 40.800 0.082 0.000 0.985 369 D HN 0.240 nan 8.370 nan 0.000 0.493 370 V N 1.239 121.148 119.914 -0.008 0.000 2.379 370 V HA -0.147 3.973 4.120 0.000 0.000 0.245 370 V C 2.355 178.389 176.094 -0.100 0.000 1.044 370 V CA 1.493 63.774 62.300 -0.032 0.000 1.036 370 V CB -0.741 31.078 31.823 -0.006 0.000 0.664 370 V HN 0.153 nan 8.190 nan 0.000 0.453 371 A N 0.867 123.620 122.820 -0.113 0.000 1.849 371 A HA -0.255 4.065 4.320 0.000 0.000 0.216 371 A C 2.237 179.688 177.584 -0.222 0.000 1.225 371 A CA 1.995 53.918 52.037 -0.191 0.000 0.653 371 A CB -0.695 18.177 19.000 -0.214 0.000 0.844 371 A HN 0.401 nan 8.150 nan 0.000 0.453 372 R N -0.082 120.228 120.500 -0.317 0.000 2.261 372 R HA -0.120 4.220 4.340 0.000 0.000 0.236 372 R C 2.065 178.275 176.300 -0.150 0.000 1.141 372 R CA 1.071 57.008 56.100 -0.273 0.000 1.001 372 R CB -1.393 28.677 30.300 -0.384 0.000 0.866 372 R HN 0.631 nan 8.270 nan 0.000 0.468 373 G N 0.133 108.861 108.800 -0.121 0.000 2.395 373 G HA2 -0.134 3.826 3.960 0.000 0.000 0.214 373 G HA3 -0.134 3.826 3.960 0.000 0.000 0.214 373 G C 1.568 176.436 174.900 -0.054 0.000 1.177 373 G CA 0.295 45.354 45.100 -0.068 0.000 0.794 373 G HN 0.126 nan 8.290 nan 0.000 0.532 374 V N 0.606 120.478 119.914 -0.071 0.000 2.233 374 V HA -0.268 3.852 4.120 0.000 0.000 0.247 374 V C 2.821 178.888 176.094 -0.045 0.000 1.050 374 V CA 2.368 64.637 62.300 -0.051 0.000 1.010 374 V CB -0.695 31.054 31.823 -0.124 0.000 0.637 374 V HN 0.394 nan 8.190 nan 0.000 0.444 375 Q N -0.819 118.932 119.800 -0.081 0.000 2.325 375 Q HA -0.278 4.062 4.340 0.000 0.000 0.211 375 Q C 2.253 178.230 176.000 -0.038 0.000 0.988 375 Q CA 1.848 57.613 55.803 -0.063 0.000 0.887 375 Q CB -0.101 28.579 28.738 -0.097 0.000 0.915 375 Q HN 0.579 nan 8.270 nan 0.000 0.440 376 K N 0.359 120.737 120.400 -0.037 0.000 2.056 376 K HA -0.044 4.276 4.320 0.000 0.000 0.205 376 K C 1.983 178.588 176.600 0.008 0.000 1.035 376 K CA 0.539 56.815 56.287 -0.018 0.000 0.955 376 K CB -0.167 32.318 32.500 -0.025 0.000 0.769 376 K HN 0.186 nan 8.250 nan 0.000 0.447 377 I N 1.782 122.359 120.570 0.011 0.000 2.185 377 I HA -0.343 3.827 4.170 0.000 0.000 0.246 377 I C 2.075 178.237 176.117 0.076 0.000 1.088 377 I CA 1.248 62.567 61.300 0.031 0.000 1.347 377 I CB -0.051 37.956 38.000 0.012 0.000 1.041 377 I HN 0.297 nan 8.210 nan 0.000 0.415 378 L N 0.158 121.426 121.223 0.075 0.000 1.971 378 L HA -0.294 4.046 4.340 0.000 0.000 0.215 378 L C 2.547 179.483 176.870 0.110 0.000 1.072 378 L CA 1.913 56.827 54.840 0.124 0.000 0.758 378 L CB -0.823 41.286 42.059 0.084 0.000 0.889 378 L HN 0.349 nan 8.230 nan 0.000 0.433 379 Q N -0.318 119.512 119.800 0.049 0.000 2.541 379 Q HA -0.164 4.176 4.340 0.000 0.000 0.215 379 Q C 1.345 177.363 176.000 0.029 0.000 0.977 379 Q CA 1.150 56.966 55.803 0.021 0.000 0.934 379 Q CB -0.076 28.662 28.738 -0.001 0.000 0.988 379 Q HN 0.404 nan 8.270 nan 0.000 0.521 380 D N -1.419 119.018 120.400 0.062 0.000 2.259 380 D HA -0.094 4.546 4.640 0.000 0.000 0.216 380 D C 1.190 177.561 176.300 0.118 0.000 0.961 380 D CA 0.456 54.495 54.000 0.066 0.000 0.878 380 D CB -0.210 40.625 40.800 0.058 0.000 1.009 380 D HN 0.272 nan 8.370 nan 0.000 0.490 381 Y N 2.696 122.996 120.300 -0.001 0.000 2.081 381 Y HA -0.232 4.318 4.550 0.000 0.000 0.280 381 Y C 2.190 178.090 175.900 0.000 0.000 1.163 381 Y CA 1.692 59.793 58.100 0.003 0.000 1.135 381 Y CB -0.386 38.079 38.460 0.008 0.000 0.970 381 Y HN -0.181 nan 8.280 nan 0.000 0.498 382 K N -0.560 119.781 120.400 -0.098 0.000 2.211 382 K HA -0.152 4.168 4.320 0.000 0.000 0.204 382 K C 2.197 178.719 176.600 -0.130 0.000 1.047 382 K CA 1.456 57.619 56.287 -0.207 0.000 0.935 382 K CB -0.147 32.285 32.500 -0.113 0.000 0.728 382 K HN 0.300 nan 8.250 nan 0.000 0.452 383 S N 0.759 116.426 115.700 -0.055 0.000 2.377 383 S HA 0.018 4.488 4.470 0.000 0.000 0.223 383 S C 1.627 176.210 174.600 -0.028 0.000 1.030 383 S CA 0.670 58.849 58.200 -0.034 0.000 0.970 383 S CB -0.043 63.152 63.200 -0.009 0.000 0.830 383 S HN 0.267 nan 8.310 nan 0.000 0.473 384 L N 1.377 122.598 121.223 -0.003 0.000 2.353 384 L HA -0.096 4.244 4.340 0.000 0.000 0.220 384 L C 2.456 179.311 176.870 -0.024 0.000 1.133 384 L CA 0.669 55.519 54.840 0.017 0.000 0.798 384 L CB -0.504 41.609 42.059 0.090 0.000 0.922 384 L HN 0.264 nan 8.230 nan 0.000 0.445 385 Q N 0.182 119.917 119.800 -0.108 0.000 2.290 385 Q HA -0.272 4.069 4.340 0.000 0.000 0.211 385 Q C 1.828 177.780 176.000 -0.079 0.000 0.991 385 Q CA 1.740 57.448 55.803 -0.158 0.000 0.893 385 Q CB -0.122 28.480 28.738 -0.226 0.000 0.913 385 Q HN 0.439 nan 8.270 nan 0.000 0.428 386 D N -1.492 118.877 120.400 -0.052 0.000 2.201 386 D HA -0.047 4.593 4.640 0.000 0.000 0.209 386 D C 1.425 177.715 176.300 -0.017 0.000 0.961 386 D CA 0.714 54.693 54.000 -0.034 0.000 0.861 386 D CB 0.299 41.081 40.800 -0.030 0.000 0.997 386 D HN 0.246 nan 8.370 nan 0.000 0.486 387 I N 1.238 121.803 120.570 -0.008 0.000 2.439 387 I HA -0.154 4.016 4.170 0.000 0.000 0.251 387 I C 2.290 178.413 176.117 0.010 0.000 1.139 387 I CA 0.612 61.914 61.300 0.003 0.000 1.438 387 I CB -0.299 37.706 38.000 0.009 0.000 1.085 387 I HN 0.018 nan 8.210 nan 0.000 0.427 388 I N 0.474 121.053 120.570 0.016 0.000 2.676 388 I HA -0.168 4.002 4.170 0.000 0.000 0.259 388 I C 2.433 178.560 176.117 0.017 0.000 1.194 388 I CA 1.020 62.337 61.300 0.029 0.000 1.473 388 I CB -0.456 37.578 38.000 0.056 0.000 1.096 388 I HN 0.183 nan 8.210 nan 0.000 0.443 389 A N 0.273 123.095 122.820 0.003 0.000 2.030 389 A HA 0.068 4.388 4.320 0.000 0.000 0.215 389 A C 2.197 179.781 177.584 -0.001 0.000 1.164 389 A CA 0.692 52.728 52.037 -0.002 0.000 0.697 389 A CB -0.053 18.938 19.000 -0.015 0.000 0.827 389 A HN 0.254 nan 8.150 nan 0.000 0.457 390 I N -1.137 119.433 120.570 -0.000 0.000 3.172 390 I HA 0.173 4.343 4.170 0.000 0.000 0.278 390 I C 1.833 177.952 176.117 0.003 0.000 1.174 390 I CA 0.990 62.290 61.300 0.000 0.000 1.445 390 I CB -0.110 37.889 38.000 -0.002 0.000 1.175 390 I HN 0.235 nan 8.210 nan 0.000 0.447 391 L N -0.516 120.711 121.223 0.006 0.000 2.537 391 L HA 0.390 4.730 4.340 0.000 0.000 0.224 391 L C 0.820 177.697 176.870 0.011 0.000 1.065 391 L CA 0.500 55.344 54.840 0.008 0.000 0.860 391 L CB 0.350 42.414 42.059 0.008 0.000 1.086 391 L HN 0.315 nan 8.230 nan 0.000 0.482 392 G N -1.223 107.586 108.800 0.015 0.000 2.555 392 G HA2 -0.179 3.781 3.960 0.000 0.000 0.686 392 G HA3 -0.179 3.781 3.960 0.000 0.000 0.686 392 G C 0.112 175.026 174.900 0.024 0.000 1.275 392 G CA -0.400 44.712 45.100 0.019 0.000 0.871 392 G HN -0.220 nan 8.290 nan 0.000 0.603 393 M N 0.260 119.877 119.600 0.028 0.000 2.149 393 M HA -0.057 4.423 4.480 0.000 0.000 0.261 393 M C 2.084 178.399 176.300 0.026 0.000 1.064 393 M CA 2.232 57.552 55.300 0.033 0.000 1.102 393 M CB -1.176 31.444 32.600 0.032 0.000 1.369 393 M HN 0.674 nan 8.290 nan 0.000 0.408 394 D N 0.148 120.560 120.400 0.020 0.000 2.149 394 D HA -0.159 4.481 4.640 0.000 0.000 0.198 394 D C 1.609 177.918 176.300 0.016 0.000 0.990 394 D CA 0.984 54.993 54.000 0.016 0.000 0.839 394 D CB -0.242 40.566 40.800 0.013 0.000 0.948 394 D HN 0.330 nan 8.370 nan 0.000 0.460 395 E N 0.343 120.553 120.200 0.016 0.000 2.515 395 E HA 0.011 4.361 4.350 0.000 0.000 0.201 395 E C 0.736 177.346 176.600 0.017 0.000 1.071 395 E CA -0.063 56.346 56.400 0.015 0.000 0.880 395 E CB -0.089 29.618 29.700 0.013 0.000 0.828 395 E HN 0.389 nan 8.360 nan 0.000 0.540 396 L N 2.391 123.627 121.223 0.021 0.000 2.410 396 L HA 0.012 4.352 4.340 0.000 0.000 0.273 396 L C 0.941 177.823 176.870 0.019 0.000 1.144 396 L CA -0.296 54.558 54.840 0.024 0.000 0.863 396 L CB 0.564 42.642 42.059 0.032 0.000 1.140 396 L HN 0.031 nan 8.230 nan 0.000 0.463 397 S N 1.812 117.522 115.700 0.017 0.000 2.563 397 S HA -0.101 4.369 4.470 0.000 0.000 0.269 397 S C 0.986 175.594 174.600 0.013 0.000 1.364 397 S CA -0.250 57.958 58.200 0.014 0.000 1.010 397 S CB 1.017 64.225 63.200 0.013 0.000 0.877 397 S HN 0.694 nan 8.310 nan 0.000 0.549 398 E N 0.887 121.093 120.200 0.011 0.000 2.051 398 E HA -0.171 4.179 4.350 0.000 0.000 0.192 398 E C 1.983 178.588 176.600 0.008 0.000 0.991 398 E CA 1.980 58.386 56.400 0.009 0.000 0.799 398 E CB -0.634 29.070 29.700 0.008 0.000 0.748 398 E HN 0.890 nan 8.360 nan 0.000 0.449 399 E N -0.151 120.054 120.200 0.008 0.000 2.070 399 E HA -0.243 4.107 4.350 0.000 0.000 0.197 399 E C 1.460 178.065 176.600 0.008 0.000 1.004 399 E CA 1.722 58.126 56.400 0.007 0.000 0.805 399 E CB -0.125 29.579 29.700 0.007 0.000 0.744 399 E HN 0.220 nan 8.360 nan 0.000 0.451 400 D N 0.153 120.561 120.400 0.013 0.000 2.117 400 D HA -0.114 4.526 4.640 0.000 0.000 0.198 400 D C 1.854 178.164 176.300 0.017 0.000 0.982 400 D CA 0.736 54.749 54.000 0.021 0.000 0.828 400 D CB -0.060 40.758 40.800 0.030 0.000 0.967 400 D HN 0.142 nan 8.370 nan 0.000 0.464 401 K N 0.350 120.758 120.400 0.013 0.000 2.034 401 K HA -0.201 4.119 4.320 0.000 0.000 0.214 401 K C 2.212 178.806 176.600 -0.011 0.000 1.051 401 K CA 0.755 57.045 56.287 0.006 0.000 0.931 401 K CB -0.603 31.902 32.500 0.007 0.000 0.715 401 K HN 0.120 nan 8.250 nan 0.000 0.446 402 L N 1.374 122.592 121.223 -0.008 0.000 2.043 402 L HA -0.238 4.102 4.340 0.000 0.000 0.212 402 L C 2.427 179.278 176.870 -0.032 0.000 1.075 402 L CA 2.342 57.173 54.840 -0.015 0.000 0.752 402 L CB -0.783 41.271 42.059 -0.008 0.000 0.891 402 L HN 0.362 nan 8.230 nan 0.000 0.432 403 T N -4.168 110.371 114.554 -0.025 0.000 2.821 403 T HA -0.125 4.225 4.350 0.000 0.000 0.267 403 T C 1.876 176.523 174.700 -0.089 0.000 1.046 403 T CA 1.180 63.261 62.100 -0.032 0.000 1.139 403 T CB -0.997 67.872 68.868 0.002 0.000 0.871 403 T HN 0.172 nan 8.240 nan 0.000 0.454 404 V N 2.988 122.838 119.914 -0.108 0.000 2.233 404 V HA -0.210 3.910 4.120 0.000 0.000 0.247 404 V C 3.149 179.027 176.094 -0.360 0.000 1.050 404 V CA 2.366 64.478 62.300 -0.313 0.000 1.010 404 V CB -1.075 30.653 31.823 -0.158 0.000 0.637 404 V HN 0.778 nan 8.190 nan 0.000 0.444 405 S N -0.239 115.355 115.700 -0.177 0.000 2.440 405 S HA -0.257 4.213 4.470 0.000 0.000 0.238 405 S C 1.981 176.522 174.600 -0.098 0.000 1.010 405 S CA 1.814 59.943 58.200 -0.118 0.000 0.972 405 S CB -0.407 62.764 63.200 -0.048 0.000 0.774 405 S HN 0.603 nan 8.310 nan 0.000 0.501 406 R N 0.692 121.124 120.500 -0.113 0.000 2.123 406 R HA 0.342 4.682 4.340 0.000 0.000 0.209 406 R C 2.555 178.788 176.300 -0.112 0.000 1.078 406 R CA 0.754 56.801 56.100 -0.089 0.000 1.028 406 R CB -0.593 29.665 30.300 -0.070 0.000 0.939 406 R HN 0.425 nan 8.270 nan 0.000 0.463 407 A N 1.613 124.339 122.820 -0.157 0.000 1.917 407 A HA -0.228 4.092 4.320 0.000 0.000 0.219 407 A C 2.082 179.587 177.584 -0.131 0.000 1.182 407 A CA 1.564 53.518 52.037 -0.139 0.000 0.633 407 A CB -0.474 18.395 19.000 -0.218 0.000 0.819 407 A HN 0.330 nan 8.150 nan 0.000 0.448 408 R N -0.305 120.049 120.500 -0.244 0.000 2.073 408 R HA -0.107 4.233 4.340 0.000 0.000 0.234 408 R C 2.189 178.505 176.300 0.026 0.000 1.134 408 R CA 1.530 57.560 56.100 -0.115 0.000 0.952 408 R CB -0.378 29.835 30.300 -0.146 0.000 0.850 408 R HN 0.497 nan 8.270 nan 0.000 0.433 409 K N 0.570 120.982 120.400 0.021 0.000 2.160 409 K HA -0.152 4.168 4.320 0.000 0.000 0.206 409 K C 2.098 178.686 176.600 -0.020 0.000 1.047 409 K CA 1.316 57.646 56.287 0.072 0.000 0.930 409 K CB -0.182 32.288 32.500 -0.049 0.000 0.720 409 K HN 0.269 nan 8.250 nan 0.000 0.450 410 I N 0.668 121.225 120.570 -0.022 0.000 2.277 410 I HA -0.239 3.931 4.170 0.000 0.000 0.243 410 I C 2.675 178.911 176.117 0.198 0.000 1.094 410 I CA 0.955 62.295 61.300 0.068 0.000 1.393 410 I CB -0.279 37.778 38.000 0.094 0.000 1.078 410 I HN 0.206 nan 8.210 nan 0.000 0.417 411 Q N 0.961 120.857 119.800 0.160 0.000 2.248 411 Q HA -0.220 4.120 4.340 0.000 0.000 0.208 411 Q C 2.129 178.258 176.000 0.214 0.000 0.984 411 Q CA 1.688 57.603 55.803 0.186 0.000 0.875 411 Q CB 0.103 28.948 28.738 0.179 0.000 0.910 411 Q HN 0.369 nan 8.270 nan 0.000 0.433 412 R N -1.752 118.889 120.500 0.235 0.000 2.237 412 R HA 0.070 4.411 4.340 0.000 0.000 0.195 412 R C 1.591 178.044 176.300 0.255 0.000 0.956 412 R CA 0.332 56.605 56.100 0.289 0.000 1.029 412 R CB 0.062 30.557 30.300 0.325 0.000 0.972 412 R HN 0.214 nan 8.270 nan 0.000 0.493 413 F N 0.984 120.987 119.950 0.088 0.000 2.259 413 F HA -0.042 4.485 4.527 0.000 0.000 0.298 413 F C 1.484 177.337 175.800 0.088 0.000 1.088 413 F CA 1.098 59.088 58.000 -0.016 0.000 1.358 413 F CB 0.159 38.947 39.000 -0.354 0.000 1.040 413 F HN -0.088 nan 8.300 nan 0.000 0.505 414 L N 0.104 121.585 121.223 0.430 0.000 2.450 414 L HA -0.141 4.199 4.340 0.000 0.000 0.224 414 L C 1.324 178.322 176.870 0.213 0.000 1.149 414 L CA 0.444 55.524 54.840 0.400 0.000 0.816 414 L CB -0.981 41.263 42.059 0.310 0.000 0.932 414 L HN 0.164 nan 8.230 nan 0.000 0.449 415 S N -0.654 115.110 115.700 0.107 0.000 2.617 415 S HA 0.430 4.900 4.470 0.000 0.000 0.269 415 S C -0.338 174.217 174.600 -0.075 0.000 1.292 415 S CA -0.599 57.600 58.200 -0.001 0.000 1.010 415 S CB 2.025 65.188 63.200 -0.061 0.000 0.944 415 S HN 0.246 nan 8.310 nan 0.000 0.536 416 Q N 0.473 120.227 119.800 -0.076 0.000 2.364 416 Q HA 0.340 4.680 4.340 0.000 0.000 0.257 416 Q C -3.152 172.866 176.000 0.030 0.000 0.956 416 Q CA -1.656 54.148 55.803 0.001 0.000 0.924 416 Q CB 2.071 30.929 28.738 0.199 0.000 1.413 416 Q HN 0.421 nan 8.270 nan 0.000 0.418 417 P HA 0.070 nan 4.420 nan 0.000 0.269 417 P C -1.065 176.416 177.300 0.302 0.000 1.252 417 P CA 0.637 63.799 63.100 0.104 0.000 0.780 417 P CB -0.040 31.706 31.700 0.076 0.000 0.829 418 F N 1.862 121.838 119.950 0.043 0.000 2.429 418 F HA 0.070 4.597 4.527 0.000 0.000 0.348 418 F C 2.136 177.964 175.800 0.048 0.000 1.109 418 F CA -0.546 57.483 58.000 0.049 0.000 1.232 418 F CB 1.222 40.259 39.000 0.061 0.000 1.157 418 F HN 0.346 nan 8.300 nan 0.000 0.564 419 Q N 1.819 121.737 119.800 0.196 0.000 2.224 419 Q HA -0.107 4.233 4.340 0.000 0.000 0.203 419 Q C 1.297 177.365 176.000 0.114 0.000 0.970 419 Q CA 1.263 57.131 55.803 0.109 0.000 0.865 419 Q CB -0.054 28.710 28.738 0.044 0.000 0.922 419 Q HN 0.594 nan 8.270 nan 0.000 0.445 420 V N 0.014 120.020 119.914 0.154 0.000 3.380 420 V HA 0.177 4.297 4.120 0.000 0.000 0.268 420 V C 0.651 176.870 176.094 0.207 0.000 1.168 420 V CA 1.082 63.469 62.300 0.144 0.000 1.156 420 V CB 0.178 32.080 31.823 0.131 0.000 0.785 420 V HN 0.459 nan 8.190 nan 0.000 0.487 421 A N -1.000 121.972 122.820 0.255 0.000 3.308 421 A HA 0.433 4.753 4.320 0.000 0.000 0.275 421 A C 0.914 178.631 177.584 0.222 0.000 0.950 421 A CA -0.349 51.896 52.037 0.347 0.000 0.987 421 A CB 0.184 19.380 19.000 0.326 0.000 1.146 421 A HN 0.417 nan 8.150 nan 0.000 0.488 422 E N -0.316 119.931 120.200 0.078 0.000 2.072 422 E HA -0.118 4.232 4.350 0.000 0.000 0.190 422 E C 1.947 178.474 176.600 -0.122 0.000 0.982 422 E CA 1.414 57.816 56.400 0.003 0.000 0.803 422 E CB -0.147 29.547 29.700 -0.009 0.000 0.755 422 E HN 0.576 nan 8.360 nan 0.000 0.453 423 V N 0.504 120.236 119.914 -0.303 0.000 2.311 423 V HA -0.333 3.787 4.120 0.000 0.000 0.256 423 V C 1.946 177.738 176.094 -0.504 0.000 1.077 423 V CA 2.015 63.985 62.300 -0.550 0.000 1.067 423 V CB -1.055 30.152 31.823 -1.026 0.000 0.659 423 V HN 0.199 nan 8.190 nan 0.000 0.451 424 F N 1.125 121.029 119.950 -0.077 0.000 2.530 424 F HA 0.058 4.585 4.527 0.000 0.000 0.292 424 F C 2.629 178.362 175.800 -0.111 0.000 1.109 424 F CA 1.047 58.984 58.000 -0.105 0.000 1.450 424 F CB -1.014 37.889 39.000 -0.161 0.000 1.114 424 F HN 0.214 nan 8.300 nan 0.000 0.560 425 T N -3.110 111.478 114.554 0.057 0.000 2.976 425 T HA 0.389 4.739 4.350 0.000 0.000 0.257 425 T C 2.112 176.698 174.700 -0.190 0.000 1.051 425 T CA 0.883 62.975 62.100 -0.013 0.000 1.141 425 T CB -0.303 68.603 68.868 0.064 0.000 0.881 425 T HN 0.424 nan 8.240 nan 0.000 0.461 426 G N 1.360 110.064 108.800 -0.161 0.000 2.383 426 G HA2 -0.256 3.704 3.960 0.000 0.000 0.229 426 G HA3 -0.256 3.704 3.960 0.000 0.000 0.229 426 G C 0.082 174.881 174.900 -0.169 0.000 1.089 426 G CA 0.131 45.103 45.100 -0.213 0.000 0.640 426 G HN 0.797 nan 8.290 nan 0.000 0.510 427 H N 0.558 119.621 119.070 -0.012 0.000 2.707 427 H HA 0.561 5.117 4.556 0.000 0.000 0.359 427 H C 0.744 176.070 175.328 -0.004 0.000 1.113 427 H CA -0.519 55.520 56.048 -0.014 0.000 1.422 427 H CB 0.886 30.631 29.762 -0.027 0.000 1.443 427 H HN 0.314 nan 8.280 nan 0.000 0.591 428 L N 1.426 122.729 121.223 0.133 0.000 2.418 428 L HA 0.208 4.548 4.340 0.000 0.000 0.265 428 L C 1.295 178.211 176.870 0.076 0.000 1.143 428 L CA -0.101 54.785 54.840 0.076 0.000 0.809 428 L CB 0.708 42.794 42.059 0.045 0.000 1.124 428 L HN 0.785 nan 8.230 nan 0.000 0.456 429 G N 1.743 110.586 108.800 0.071 0.000 2.474 429 G HA2 0.180 4.140 3.960 0.000 0.000 0.233 429 G HA3 0.180 4.140 3.960 0.000 0.000 0.233 429 G C -0.355 174.576 174.900 0.052 0.000 1.278 429 G CA -0.367 44.781 45.100 0.080 0.000 0.861 429 G HN 0.364 nan 8.290 nan 0.000 0.567 430 K N 0.724 121.162 120.400 0.063 0.000 2.328 430 K HA 0.531 4.851 4.320 0.000 0.000 0.246 430 K C -0.846 175.771 176.600 0.028 0.000 0.955 430 K CA -0.803 55.505 56.287 0.034 0.000 0.817 430 K CB 2.591 35.102 32.500 0.019 0.000 1.208 430 K HN 0.307 nan 8.250 nan 0.000 0.432 431 L N 2.395 123.629 121.223 0.018 0.000 2.457 431 L HA 0.333 4.673 4.340 0.000 0.000 0.266 431 L C -1.107 175.781 176.870 0.030 0.000 0.979 431 L CA -0.885 53.963 54.840 0.014 0.000 0.857 431 L CB 1.854 43.915 42.059 0.003 0.000 1.213 431 L HN 0.208 nan 8.230 nan 0.000 0.418 432 V N 5.862 125.806 119.914 0.050 0.000 2.407 432 V HA 0.395 4.515 4.120 0.000 0.000 0.278 432 V C -2.033 174.099 176.094 0.064 0.000 1.037 432 V CA -1.526 60.815 62.300 0.068 0.000 0.900 432 V CB 1.716 33.605 31.823 0.110 0.000 0.983 432 V HN 0.586 nan 8.190 nan 0.000 0.459 433 P HA 0.258 nan 4.420 nan 0.000 0.277 433 P C 0.961 178.281 177.300 0.033 0.000 1.240 433 P CA -0.477 62.646 63.100 0.038 0.000 0.798 433 P CB 0.982 32.701 31.700 0.032 0.000 0.979 434 L N 1.795 123.024 121.223 0.011 0.000 2.081 434 L HA -0.237 4.104 4.340 0.000 0.000 0.212 434 L C 1.755 178.593 176.870 -0.053 0.000 1.080 434 L CA 1.763 56.583 54.840 -0.034 0.000 0.754 434 L CB -0.196 41.832 42.059 -0.053 0.000 0.893 434 L HN 0.335 nan 8.230 nan 0.000 0.433 435 K N -0.393 119.994 120.400 -0.021 0.000 2.365 435 K HA -0.108 4.212 4.320 0.000 0.000 0.199 435 K C 1.546 178.153 176.600 0.011 0.000 1.045 435 K CA 0.957 57.234 56.287 -0.017 0.000 0.962 435 K CB 0.061 32.560 32.500 -0.001 0.000 0.759 435 K HN 0.568 nan 8.250 nan 0.000 0.469 436 E N 0.028 120.250 120.200 0.037 0.000 2.307 436 E HA 0.007 4.357 4.350 0.000 0.000 0.195 436 E C 1.491 178.161 176.600 0.116 0.000 0.975 436 E CA 0.391 56.833 56.400 0.070 0.000 0.878 436 E CB 0.286 30.032 29.700 0.077 0.000 0.845 436 E HN 0.126 nan 8.360 nan 0.000 0.488 437 T N 1.952 116.586 114.554 0.133 0.000 2.777 437 T HA -0.089 4.261 4.350 0.000 0.000 0.266 437 T C 1.904 176.753 174.700 0.250 0.000 1.040 437 T CA 0.718 62.969 62.100 0.252 0.000 1.141 437 T CB 0.002 68.982 68.868 0.187 0.000 0.868 437 T HN 0.090 nan 8.240 nan 0.000 0.444 438 I N 1.167 121.775 120.570 0.063 0.000 2.179 438 I HA -0.138 4.032 4.170 0.000 0.000 0.242 438 I C 2.520 178.681 176.117 0.073 0.000 1.088 438 I CA 1.394 62.706 61.300 0.020 0.000 1.357 438 I CB -0.840 37.113 38.000 -0.079 0.000 1.051 438 I HN 0.265 nan 8.210 nan 0.000 0.409 439 K N 1.153 121.580 120.400 0.045 0.000 2.001 439 K HA -0.198 4.122 4.320 0.000 0.000 0.214 439 K C 2.174 178.770 176.600 -0.007 0.000 1.050 439 K CA 2.079 58.382 56.287 0.027 0.000 0.934 439 K CB -0.598 31.925 32.500 0.037 0.000 0.718 439 K HN 0.346 nan 8.250 nan 0.000 0.443 440 G N 0.399 109.161 108.800 -0.062 0.000 2.599 440 G HA2 -0.285 3.675 3.960 0.000 0.000 0.219 440 G HA3 -0.285 3.675 3.960 0.000 0.000 0.219 440 G C 1.307 175.896 174.900 -0.519 0.000 1.193 440 G CA 1.461 46.343 45.100 -0.362 0.000 0.778 440 G HN 0.319 nan 8.290 nan 0.000 0.589 441 F N 0.859 120.551 119.950 -0.430 0.000 2.113 441 F HA -0.013 4.514 4.527 0.000 0.000 0.297 441 F C 2.875 178.551 175.800 -0.207 0.000 1.103 441 F CA 1.458 59.242 58.000 -0.361 0.000 1.248 441 F CB -0.874 37.961 39.000 -0.275 0.000 0.999 441 F HN 0.230 nan 8.300 nan 0.000 0.475 442 Q N 0.816 120.648 119.800 0.053 0.000 2.156 442 Q HA -0.305 4.035 4.340 0.000 0.000 0.211 442 Q C 1.945 177.923 176.000 -0.037 0.000 0.995 442 Q CA 2.559 58.366 55.803 0.007 0.000 0.877 442 Q CB -0.336 28.404 28.738 0.005 0.000 0.920 442 Q HN 0.558 nan 8.270 nan 0.000 0.416 443 Q N -0.334 119.430 119.800 -0.059 0.000 2.020 443 Q HA -0.066 4.274 4.340 0.000 0.000 0.198 443 Q C 2.327 178.260 176.000 -0.111 0.000 0.974 443 Q CA 1.429 57.177 55.803 -0.092 0.000 0.829 443 Q CB -0.159 28.564 28.738 -0.026 0.000 0.894 443 Q HN 0.466 nan 8.270 nan 0.000 0.433 444 I N 0.978 121.484 120.570 -0.107 0.000 2.194 444 I HA -0.311 3.859 4.170 0.000 0.000 0.246 444 I C 2.150 178.195 176.117 -0.121 0.000 1.093 444 I CA 1.238 62.448 61.300 -0.150 0.000 1.355 444 I CB -0.160 37.599 38.000 -0.403 0.000 1.046 444 I HN 0.198 nan 8.210 nan 0.000 0.413 445 L N 0.076 121.246 121.223 -0.089 0.000 2.291 445 L HA -0.096 4.244 4.340 0.000 0.000 0.214 445 L C 2.555 179.389 176.870 -0.061 0.000 1.120 445 L CA 0.792 55.598 54.840 -0.057 0.000 0.799 445 L CB -0.412 41.630 42.059 -0.027 0.000 0.925 445 L HN 0.205 nan 8.230 nan 0.000 0.446 446 A N -0.659 122.113 122.820 -0.080 0.000 2.119 446 A HA 0.184 4.504 4.320 0.000 0.000 0.216 446 A C 1.871 179.398 177.584 -0.094 0.000 1.152 446 A CA 0.917 52.904 52.037 -0.084 0.000 0.708 446 A CB -0.429 18.510 19.000 -0.103 0.000 0.805 446 A HN 0.488 nan 8.150 nan 0.000 0.460 447 G N -0.795 107.940 108.800 -0.109 0.000 2.157 447 G HA2 -0.283 3.677 3.960 0.000 0.000 0.248 447 G HA3 -0.283 3.677 3.960 0.000 0.000 0.248 447 G C 0.493 175.293 174.900 -0.166 0.000 0.979 447 G CA 0.606 45.645 45.100 -0.101 0.000 0.650 447 G HN 0.571 nan 8.290 nan 0.000 0.529 448 E N -1.075 118.955 120.200 -0.284 0.000 2.396 448 E HA -0.065 4.285 4.350 0.000 0.000 0.200 448 E C 1.148 177.333 176.600 -0.691 0.000 1.023 448 E CA 1.056 57.168 56.400 -0.479 0.000 0.857 448 E CB -0.099 29.195 29.700 -0.678 0.000 0.775 448 E HN 0.840 nan 8.360 nan 0.000 0.525 449 Y N -1.318 118.853 120.300 -0.214 0.000 2.626 449 Y HA 0.079 4.629 4.550 0.000 0.000 0.248 449 Y C 1.068 176.777 175.900 -0.318 0.000 1.147 449 Y CA -0.741 57.164 58.100 -0.326 0.000 1.219 449 Y CB 0.791 39.242 38.460 -0.014 0.000 1.279 449 Y HN -0.098 nan 8.280 nan 0.000 0.541 450 D N 0.536 120.861 120.400 -0.125 0.000 2.203 450 D HA -0.237 4.403 4.640 0.000 0.000 0.199 450 D C 1.921 178.221 176.300 -0.001 0.000 0.997 450 D CA 1.875 55.853 54.000 -0.036 0.000 0.863 450 D CB -0.263 40.528 40.800 -0.015 0.000 0.928 450 D HN 0.644 nan 8.370 nan 0.000 0.458 451 H N -0.608 118.533 119.070 0.119 0.000 2.462 451 H HA 0.052 4.608 4.556 0.000 0.000 0.292 451 H C 1.400 176.786 175.328 0.097 0.000 1.049 451 H CA 0.052 56.154 56.048 0.090 0.000 1.334 451 H CB -0.265 29.540 29.762 0.072 0.000 1.404 451 H HN 0.141 nan 8.280 nan 0.000 0.544 452 L N 2.011 123.288 121.223 0.090 0.000 2.468 452 L HA 0.155 4.495 4.340 0.000 0.000 0.253 452 L C -1.969 174.928 176.870 0.045 0.000 1.237 452 L CA -1.522 53.379 54.840 0.102 0.000 0.823 452 L CB 0.031 42.122 42.059 0.054 0.000 1.124 452 L HN 0.208 nan 8.230 nan 0.000 0.504 453 P HA 0.290 nan 4.420 nan 0.000 0.307 453 P C -0.320 176.912 177.300 -0.114 0.000 1.412 453 P CA -0.741 62.323 63.100 -0.060 0.000 0.985 453 P CB 1.574 33.233 31.700 -0.067 0.000 1.098 454 E N 1.808 122.017 120.200 0.014 0.000 2.132 454 E HA -0.335 4.015 4.350 0.000 0.000 0.218 454 E C 1.625 178.241 176.600 0.027 0.000 1.058 454 E CA 1.887 58.339 56.400 0.088 0.000 0.882 454 E CB -0.224 29.514 29.700 0.064 0.000 0.774 454 E HN 0.616 nan 8.360 nan 0.000 0.467 455 Q N 0.436 120.222 119.800 -0.023 0.000 2.443 455 Q HA -0.090 4.250 4.340 0.000 0.000 0.213 455 Q C 1.923 177.891 176.000 -0.054 0.000 0.982 455 Q CA 1.336 57.139 55.803 -0.001 0.000 0.894 455 Q CB -0.197 28.533 28.738 -0.013 0.000 0.947 455 Q HN 0.266 nan 8.270 nan 0.000 0.480 456 A N 0.730 123.392 122.820 -0.263 0.000 1.969 456 A HA -0.038 4.282 4.320 0.000 0.000 0.218 456 A C 1.560 178.871 177.584 -0.455 0.000 1.169 456 A CA 0.908 52.672 52.037 -0.455 0.000 0.635 456 A CB -0.678 17.874 19.000 -0.747 0.000 0.810 456 A HN 0.396 nan 8.150 nan 0.000 0.445 457 F N -2.763 117.177 119.950 -0.016 0.000 2.754 457 F HA 0.164 4.691 4.527 0.000 0.000 0.297 457 F C 0.817 176.571 175.800 -0.076 0.000 1.122 457 F CA -0.394 57.573 58.000 -0.055 0.000 1.400 457 F CB -0.123 38.918 39.000 0.069 0.000 1.117 457 F HN 0.261 nan 8.300 nan 0.000 0.587 458 Y N 2.510 122.824 120.300 0.024 0.000 2.496 458 Y HA 0.173 4.723 4.550 0.000 0.000 0.334 458 Y C 0.698 176.564 175.900 -0.057 0.000 1.080 458 Y CA -1.149 56.954 58.100 0.004 0.000 1.355 458 Y CB 0.025 38.500 38.460 0.026 0.000 1.193 458 Y HN 0.092 nan 8.280 nan 0.000 0.523 459 M N 6.120 125.324 119.600 -0.659 0.000 2.399 459 M HA -0.192 4.288 4.480 0.000 0.000 0.191 459 M C -0.974 175.067 176.300 -0.432 0.000 0.732 459 M CA 0.966 55.894 55.300 -0.619 0.000 0.512 459 M CB -2.380 29.703 32.600 -0.860 0.000 1.191 459 M HN 0.486 nan 8.290 nan 0.000 0.894 460 V N -2.936 116.748 119.914 -0.383 0.000 4.781 460 V HA 1.108 5.228 4.120 0.000 0.000 0.288 460 V C 0.770 176.680 176.094 -0.306 0.000 1.442 460 V CA 0.239 62.332 62.300 -0.345 0.000 0.846 460 V CB 1.146 32.761 31.823 -0.346 0.000 1.330 460 V HN 0.474 nan 8.190 nan 0.000 0.450 461 G N -1.191 107.442 108.800 -0.279 0.000 3.009 461 G HA2 0.480 4.440 3.960 0.000 0.000 0.183 461 G HA3 0.480 4.440 3.960 0.000 0.000 0.183 461 G C -2.902 171.907 174.900 -0.151 0.000 1.613 461 G CA -0.484 44.506 45.100 -0.184 0.000 0.910 461 G HN 0.605 nan 8.290 nan 0.000 0.785 462 P HA 0.126 nan 4.420 nan 0.000 0.264 462 P C 0.908 178.271 177.300 0.105 0.000 1.183 462 P CA -0.232 62.909 63.100 0.068 0.000 0.763 462 P CB 0.912 32.636 31.700 0.041 0.000 0.807 463 I N 3.372 124.108 120.570 0.277 0.000 2.367 463 I HA -0.312 3.858 4.170 0.000 0.000 0.256 463 I C 1.470 177.670 176.117 0.137 0.000 1.132 463 I CA 2.012 63.512 61.300 0.334 0.000 1.397 463 I CB -0.360 37.750 38.000 0.183 0.000 1.074 463 I HN 0.324 nan 8.210 nan 0.000 0.435 464 E N 0.637 120.885 120.200 0.080 0.000 2.072 464 E HA -0.158 4.192 4.350 0.000 0.000 0.190 464 E C 2.046 178.640 176.600 -0.010 0.000 0.982 464 E CA 1.350 57.774 56.400 0.039 0.000 0.803 464 E CB -0.299 29.428 29.700 0.046 0.000 0.755 464 E HN 0.596 nan 8.360 nan 0.000 0.453 465 E N 0.431 120.611 120.200 -0.034 0.000 2.273 465 E HA -0.237 4.113 4.350 0.000 0.000 0.198 465 E C 1.824 178.358 176.600 -0.110 0.000 1.002 465 E CA 0.889 57.243 56.400 -0.077 0.000 0.828 465 E CB -0.175 29.460 29.700 -0.107 0.000 0.747 465 E HN 0.273 nan 8.360 nan 0.000 0.491 466 A N 0.742 123.503 122.820 -0.099 0.000 1.929 466 A HA -0.083 4.237 4.320 0.000 0.000 0.216 466 A C 2.454 179.913 177.584 -0.208 0.000 1.176 466 A CA 0.841 52.788 52.037 -0.150 0.000 0.628 466 A CB -0.260 18.781 19.000 0.068 0.000 0.816 466 A HN 0.127 nan 8.150 nan 0.000 0.444 467 V N -0.053 119.785 119.914 -0.127 0.000 2.453 467 V HA -0.153 3.967 4.120 0.000 0.000 0.247 467 V C 2.976 179.038 176.094 -0.054 0.000 1.048 467 V CA 1.525 63.776 62.300 -0.081 0.000 1.049 467 V CB -1.412 30.420 31.823 0.016 0.000 0.672 467 V HN 0.576 nan 8.190 nan 0.000 0.457 468 A N 0.286 123.076 122.820 -0.049 0.000 1.849 468 A HA -0.318 4.002 4.320 0.000 0.000 0.217 468 A C 2.348 179.892 177.584 -0.066 0.000 1.202 468 A CA 2.441 54.451 52.037 -0.045 0.000 0.629 468 A CB -0.678 18.296 19.000 -0.043 0.000 0.834 468 A HN 0.443 nan 8.150 nan 0.000 0.447 469 K N -0.442 119.898 120.400 -0.100 0.000 2.218 469 K HA -0.124 4.196 4.320 0.000 0.000 0.205 469 K C 1.884 178.413 176.600 -0.119 0.000 1.046 469 K CA 1.176 57.397 56.287 -0.111 0.000 0.933 469 K CB -0.266 32.145 32.500 -0.148 0.000 0.728 469 K HN 0.446 nan 8.250 nan 0.000 0.454 470 A N 0.659 123.393 122.820 -0.143 0.000 2.123 470 A HA -0.072 4.248 4.320 0.000 0.000 0.214 470 A C 1.376 178.924 177.584 -0.061 0.000 1.152 470 A CA 1.008 52.966 52.037 -0.132 0.000 0.728 470 A CB 0.005 18.905 19.000 -0.166 0.000 0.814 470 A HN 0.253 nan 8.150 nan 0.000 0.464 471 D N -0.248 120.124 120.400 -0.046 0.000 2.146 471 D HA -0.062 4.578 4.640 0.000 0.000 0.209 471 D C 1.765 178.051 176.300 -0.023 0.000 0.973 471 D CA 0.878 54.864 54.000 -0.023 0.000 0.860 471 D CB -0.264 40.528 40.800 -0.013 0.000 1.015 471 D HN 0.285 nan 8.370 nan 0.000 0.465 472 K N 0.694 121.078 120.400 -0.027 0.000 2.281 472 K HA -0.060 4.260 4.320 0.000 0.000 0.203 472 K C 1.088 177.677 176.600 -0.019 0.000 1.046 472 K CA 0.377 56.653 56.287 -0.020 0.000 0.938 472 K CB -0.061 32.427 32.500 -0.019 0.000 0.737 472 K HN 0.168 nan 8.250 nan 0.000 0.458 473 L N 1.113 122.319 121.223 -0.029 0.000 2.939 473 L HA 0.138 4.478 4.340 0.000 0.000 0.239 473 L C 0.215 177.073 176.870 -0.020 0.000 1.325 473 L CA -0.449 54.376 54.840 -0.025 0.000 1.170 473 L CB -0.127 41.908 42.059 -0.039 0.000 1.538 473 L HN 0.104 nan 8.230 nan 0.000 0.452 474 A N 0.000 122.812 122.820 -0.014 0.000 2.254 474 A HA 0.000 4.320 4.320 0.000 0.000 0.244 474 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 474 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486