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 2jj1_1_M DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA 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 0.000 174.826 174.700 0.209 0.000 1.109 9 T CA 0.000 62.176 62.100 0.127 0.000 1.349 9 T CB 0.000 68.921 68.868 0.088 0.000 0.612 10 T N 0.901 115.555 114.554 0.167 0.000 2.807 10 T HA 0.682 5.033 4.350 0.001 0.000 0.279 10 T C -0.165 174.478 174.700 -0.095 0.000 0.993 10 T CA 0.160 62.303 62.100 0.071 0.000 0.970 10 T CB 0.974 69.849 68.868 0.012 0.000 0.950 10 T HN 0.890 nan 8.240 nan 0.000 0.441 11 G N 3.261 111.803 108.800 -0.429 0.000 2.537 11 G HA2 0.739 4.699 3.960 0.001 0.000 0.323 11 G HA3 0.739 4.699 3.960 0.001 0.000 0.323 11 G C -1.208 173.392 174.900 -0.500 0.000 1.207 11 G CA -0.988 43.549 45.100 -0.939 0.000 0.976 11 G HN 0.796 nan 8.290 nan 0.000 0.487 12 R N -0.282 119.962 120.500 -0.427 0.000 2.621 12 R HA 0.385 4.726 4.340 0.001 0.000 0.292 12 R C -0.511 175.673 176.300 -0.194 0.000 0.969 12 R CA -0.773 55.187 56.100 -0.233 0.000 0.887 12 R CB 2.517 32.724 30.300 -0.154 0.000 1.180 12 R HN 0.383 nan 8.270 nan 0.000 0.450 13 I N 2.920 123.411 120.570 -0.131 0.000 2.618 13 I HA -0.078 4.092 4.170 0.001 0.000 0.284 13 I C 1.393 177.471 176.117 -0.065 0.000 1.146 13 I CA 0.199 61.448 61.300 -0.085 0.000 1.425 13 I CB 0.986 38.952 38.000 -0.056 0.000 1.383 13 I HN 0.573 nan 8.210 nan 0.000 0.562 14 V N 2.669 122.554 119.914 -0.048 0.000 3.604 14 V HA 0.613 4.734 4.120 0.001 0.000 0.277 14 V C 0.425 176.508 176.094 -0.020 0.000 1.399 14 V CA 0.233 62.513 62.300 -0.033 0.000 1.034 14 V CB 0.191 31.997 31.823 -0.028 0.000 0.824 14 V HN 0.726 nan 8.190 nan 0.000 0.439 15 A N 0.039 122.849 122.820 -0.016 0.000 2.540 15 A HA 0.810 5.130 4.320 0.001 0.000 0.297 15 A C -1.235 176.345 177.584 -0.006 0.000 1.056 15 A CA -0.350 51.682 52.037 -0.008 0.000 0.700 15 A CB 2.067 21.066 19.000 -0.001 0.000 1.280 15 A HN 0.554 nan 8.150 nan 0.000 0.398 16 V N 2.029 121.940 119.914 -0.005 0.000 2.841 16 V HA 0.828 4.949 4.120 0.001 0.000 0.310 16 V C -1.126 174.966 176.094 -0.003 0.000 1.090 16 V CA -0.455 61.843 62.300 -0.003 0.000 0.930 16 V CB 1.816 33.635 31.823 -0.006 0.000 1.014 16 V HN 1.090 nan 8.190 nan 0.000 0.425 17 I N 3.391 123.960 120.570 -0.001 0.000 2.675 17 I HA 0.672 4.843 4.170 0.001 0.000 0.284 17 I C 0.375 176.490 176.117 -0.003 0.000 1.285 17 I CA 1.166 62.465 61.300 -0.003 0.000 1.079 17 I CB 1.187 39.185 38.000 -0.003 0.000 1.318 17 I HN 1.066 nan 8.210 nan 0.000 0.439 18 G N 5.685 114.482 108.800 -0.004 0.000 2.632 18 G HA2 -0.239 3.721 3.960 0.001 0.000 0.322 18 G HA3 -0.239 3.721 3.960 0.001 0.000 0.322 18 G C 1.061 175.960 174.900 -0.003 0.000 1.326 18 G CA 0.876 45.973 45.100 -0.005 0.000 0.986 18 G HN 1.821 nan 8.290 nan 0.000 0.541 19 A N -1.186 121.631 122.820 -0.004 0.000 2.070 19 A HA 0.378 4.699 4.320 0.001 0.000 0.220 19 A C 1.372 178.958 177.584 0.003 0.000 1.159 19 A CA 2.075 54.111 52.037 -0.002 0.000 0.656 19 A CB -0.182 18.814 19.000 -0.007 0.000 0.800 19 A HN 1.371 nan 8.150 nan 0.000 0.453 20 V N 1.114 121.029 119.914 0.002 0.000 2.364 20 V HA 0.372 4.493 4.120 0.001 0.000 0.272 20 V C -0.524 175.576 176.094 0.010 0.000 1.036 20 V CA -0.296 62.008 62.300 0.007 0.000 0.880 20 V CB 1.243 33.069 31.823 0.004 0.000 0.991 20 V HN 0.122 nan 8.190 nan 0.000 0.460 21 V N 4.229 124.153 119.914 0.016 0.000 2.540 21 V HA 0.488 4.608 4.120 0.001 0.000 0.302 21 V C -0.664 175.446 176.094 0.026 0.000 1.035 21 V CA -0.864 61.445 62.300 0.015 0.000 0.873 21 V CB 2.184 34.016 31.823 0.015 0.000 0.992 21 V HN 0.757 nan 8.190 nan 0.000 0.428 22 D N 2.755 123.166 120.400 0.019 0.000 2.177 22 D HA 0.615 5.255 4.640 0.001 0.000 0.247 22 D C -0.625 175.683 176.300 0.014 0.000 1.063 22 D CA 0.024 54.041 54.000 0.029 0.000 0.867 22 D CB 2.057 42.869 40.800 0.021 0.000 1.168 22 D HN 0.293 nan 8.370 nan 0.000 0.445 23 V N 2.219 122.157 119.914 0.040 0.000 2.525 23 V HA 0.303 4.424 4.120 0.001 0.000 0.299 23 V C -0.236 175.846 176.094 -0.020 0.000 1.034 23 V CA -0.989 61.289 62.300 -0.036 0.000 0.863 23 V CB 1.688 33.486 31.823 -0.040 0.000 0.999 23 V HN 0.413 nan 8.190 nan 0.000 0.423 24 Q N 3.604 123.322 119.800 -0.137 0.000 2.278 24 Q HA 0.643 4.984 4.340 0.001 0.000 0.257 24 Q C -1.844 174.025 176.000 -0.218 0.000 0.928 24 Q CA -0.338 55.427 55.803 -0.064 0.000 0.932 24 Q CB 1.159 29.867 28.738 -0.051 0.000 1.221 24 Q HN 0.606 nan 8.270 nan 0.000 0.434 25 F N 2.414 122.340 119.950 -0.040 0.000 2.495 25 F HA 0.283 4.810 4.527 0.001 0.000 0.327 25 F C 0.500 176.276 175.800 -0.039 0.000 1.103 25 F CA -0.788 57.189 58.000 -0.039 0.000 0.949 25 F CB 1.801 40.772 39.000 -0.049 0.000 1.142 25 F HN 0.637 nan 8.300 nan 0.000 0.457 26 D N 0.914 121.390 120.400 0.127 0.000 2.149 26 D HA 0.019 4.660 4.640 0.001 0.000 0.206 26 D C 0.162 176.498 176.300 0.061 0.000 0.967 26 D CA 1.292 55.331 54.000 0.066 0.000 0.848 26 D CB 0.205 41.023 40.800 0.030 0.000 0.998 26 D HN 0.537 nan 8.370 nan 0.000 0.474 27 E N -1.275 118.968 120.200 0.072 0.000 2.320 27 E HA 0.583 4.934 4.350 0.001 0.000 0.264 27 E C -0.226 176.402 176.600 0.047 0.000 0.923 27 E CA -0.777 55.648 56.400 0.042 0.000 0.796 27 E CB 1.892 31.607 29.700 0.026 0.000 1.262 27 E HN 0.062 nan 8.360 nan 0.000 0.428 28 G N 1.202 109.993 108.800 -0.014 0.000 2.487 28 G HA2 -0.204 3.757 3.960 0.001 0.000 0.243 28 G HA3 -0.204 3.757 3.960 0.001 0.000 0.243 28 G C -1.043 173.736 174.900 -0.203 0.000 0.918 28 G CA -0.413 44.644 45.100 -0.070 0.000 1.260 28 G HN 0.183 nan 8.290 nan 0.000 0.408 29 L N 5.301 126.370 121.223 -0.258 0.000 2.265 29 L HA 0.591 4.931 4.340 0.001 0.000 0.288 29 L C -1.257 175.352 176.870 -0.434 0.000 1.058 29 L CA -2.360 52.200 54.840 -0.466 0.000 0.809 29 L CB 0.984 42.805 42.059 -0.397 0.000 1.179 29 L HN 0.373 nan 8.230 nan 0.000 0.429 30 P HA 0.235 nan 4.420 nan 0.000 0.276 30 P C -2.697 174.590 177.300 -0.021 0.000 1.243 30 P CA -1.377 61.541 63.100 -0.302 0.000 0.768 30 P CB 0.199 31.669 31.700 -0.383 0.000 0.856 31 P HA 0.011 nan 4.420 nan 0.000 0.267 31 P C 0.556 177.845 177.300 -0.019 0.000 1.195 31 P CA 0.256 63.381 63.100 0.042 0.000 0.773 31 P CB 0.542 32.231 31.700 -0.018 0.000 0.837 32 I N 2.797 123.268 120.570 -0.165 0.000 2.845 32 I HA -0.163 4.007 4.170 0.001 0.000 0.296 32 I C 1.710 177.744 176.117 -0.138 0.000 1.216 32 I CA 0.787 61.978 61.300 -0.182 0.000 1.438 32 I CB -0.336 37.510 38.000 -0.257 0.000 1.342 32 I HN 0.450 nan 8.210 nan 0.000 0.577 33 L N 1.685 122.826 121.223 -0.136 0.000 3.271 33 L HA -0.236 4.104 4.340 0.001 0.000 0.429 33 L C 0.344 177.182 176.870 -0.053 0.000 0.724 33 L CA 0.103 54.838 54.840 -0.176 0.000 2.742 33 L CB -1.375 40.510 42.059 -0.290 0.000 0.986 33 L HN 0.677 nan 8.230 nan 0.000 0.656 34 N N 1.301 119.983 118.700 -0.029 0.000 2.441 34 N HA 0.418 5.159 4.740 0.001 0.000 0.251 34 N C 0.224 175.751 175.510 0.029 0.000 1.242 34 N CA 1.054 54.105 53.050 0.001 0.000 0.898 34 N CB 0.811 39.288 38.487 -0.017 0.000 1.100 34 N HN 0.324 nan 8.380 nan 0.000 0.443 35 A N 2.768 125.612 122.820 0.040 0.000 2.274 35 A HA 0.551 4.872 4.320 0.001 0.000 0.309 35 A C -0.385 177.232 177.584 0.054 0.000 1.226 35 A CA -0.581 51.487 52.037 0.052 0.000 0.853 35 A CB 0.127 19.158 19.000 0.051 0.000 1.146 35 A HN 0.614 nan 8.150 nan 0.000 0.518 36 L N 2.116 123.382 121.223 0.072 0.000 2.325 36 L HA 0.498 4.838 4.340 0.001 0.000 0.278 36 L C -0.258 176.653 176.870 0.068 0.000 1.023 36 L CA -0.805 54.092 54.840 0.095 0.000 0.811 36 L CB 1.649 43.798 42.059 0.151 0.000 1.249 36 L HN 0.600 nan 8.230 nan 0.000 0.431 37 E N 2.651 122.887 120.200 0.061 0.000 2.113 37 E HA 0.299 4.650 4.350 0.001 0.000 0.273 37 E C -0.795 175.822 176.600 0.029 0.000 0.924 37 E CA -0.587 55.835 56.400 0.037 0.000 0.764 37 E CB 2.414 32.130 29.700 0.026 0.000 1.104 37 E HN 0.194 nan 8.360 nan 0.000 0.406 38 V N 4.099 124.024 119.914 0.019 0.000 2.488 38 V HA 0.021 4.142 4.120 0.001 0.000 0.277 38 V C 0.600 176.694 176.094 -0.000 0.000 1.046 38 V CA -0.477 61.826 62.300 0.005 0.000 0.986 38 V CB 0.807 32.632 31.823 0.002 0.000 0.989 38 V HN 0.468 nan 8.190 nan 0.000 0.475 39 Q N 2.565 122.361 119.800 -0.008 0.000 2.260 39 Q HA 0.489 4.829 4.340 0.001 0.000 0.242 39 Q C 1.126 177.119 176.000 -0.011 0.000 0.932 39 Q CA 0.410 56.208 55.803 -0.009 0.000 0.891 39 Q CB 1.359 30.090 28.738 -0.012 0.000 1.222 39 Q HN 1.144 nan 8.270 nan 0.000 0.453 40 G N 1.518 110.312 108.800 -0.009 0.000 2.132 40 G HA2 -0.189 3.771 3.960 0.001 0.000 0.234 40 G HA3 -0.189 3.771 3.960 0.001 0.000 0.234 40 G C -0.138 174.758 174.900 -0.007 0.000 0.989 40 G CA -0.279 44.815 45.100 -0.009 0.000 0.676 40 G HN 0.332 nan 8.290 nan 0.000 0.522 41 R N -0.230 120.267 120.500 -0.004 0.000 2.637 41 R HA 0.501 4.841 4.340 0.001 0.000 0.291 41 R C 0.922 177.221 176.300 -0.001 0.000 0.963 41 R CA -0.684 55.415 56.100 -0.002 0.000 0.901 41 R CB 1.244 31.544 30.300 -0.000 0.000 1.160 41 R HN 0.334 nan 8.270 nan 0.000 0.457 42 E N 0.480 120.679 120.200 -0.000 0.000 2.107 42 E HA -0.073 4.277 4.350 0.001 0.000 0.191 42 E C 0.099 176.700 176.600 0.002 0.000 0.982 42 E CA 1.271 57.671 56.400 0.000 0.000 0.809 42 E CB 0.336 30.036 29.700 -0.000 0.000 0.756 42 E HN 0.636 nan 8.360 nan 0.000 0.459 43 T N -1.386 113.169 114.554 0.003 0.000 2.863 43 T HA 0.361 4.712 4.350 0.001 0.000 0.285 43 T C -0.265 174.438 174.700 0.006 0.000 1.009 43 T CA -1.017 61.086 62.100 0.004 0.000 0.989 43 T CB 2.114 70.985 68.868 0.004 0.000 1.004 43 T HN -0.049 nan 8.240 nan 0.000 0.455 44 R N 1.574 122.079 120.500 0.008 0.000 2.486 44 R HA 0.177 4.517 4.340 0.001 0.000 0.303 44 R C -0.863 175.444 176.300 0.013 0.000 0.958 44 R CA -0.346 55.761 56.100 0.010 0.000 1.077 44 R CB -0.175 30.133 30.300 0.013 0.000 0.921 44 R HN 0.600 nan 8.270 nan 0.000 0.406 45 L N 6.567 127.798 121.223 0.013 0.000 2.337 45 L HA 0.300 4.640 4.340 0.001 0.000 0.269 45 L C -1.204 175.679 176.870 0.022 0.000 1.018 45 L CA -0.516 54.333 54.840 0.015 0.000 0.876 45 L CB 1.597 43.663 42.059 0.011 0.000 1.236 45 L HN 0.334 nan 8.230 nan 0.000 0.436 46 V N 5.902 125.832 119.914 0.026 0.000 2.583 46 V HA 0.349 4.470 4.120 0.001 0.000 0.287 46 V C 0.237 176.355 176.094 0.040 0.000 1.051 46 V CA -0.340 61.981 62.300 0.035 0.000 1.010 46 V CB 1.264 33.110 31.823 0.037 0.000 0.988 46 V HN 0.565 nan 8.190 nan 0.000 0.478 47 L N 4.222 125.475 121.223 0.050 0.000 2.333 47 L HA 0.559 4.900 4.340 0.001 0.000 0.280 47 L C 0.049 176.958 176.870 0.065 0.000 1.004 47 L CA -0.298 54.575 54.840 0.055 0.000 0.820 47 L CB 1.790 43.885 42.059 0.060 0.000 1.247 47 L HN 0.629 nan 8.230 nan 0.000 0.416 48 E N 2.181 122.417 120.200 0.061 0.000 2.227 48 E HA 0.311 4.662 4.350 0.001 0.000 0.282 48 E C -0.920 175.708 176.600 0.046 0.000 1.015 48 E CA -0.767 55.669 56.400 0.060 0.000 0.823 48 E CB 1.686 31.432 29.700 0.077 0.000 1.081 48 E HN 0.321 nan 8.360 nan 0.000 0.396 49 V N 4.399 124.335 119.914 0.036 0.000 2.485 49 V HA 0.051 4.171 4.120 0.001 0.000 0.287 49 V C 0.888 176.975 176.094 -0.012 0.000 1.022 49 V CA 0.767 63.088 62.300 0.035 0.000 1.067 49 V CB 0.662 32.511 31.823 0.042 0.000 0.967 49 V HN 0.886 nan 8.190 nan 0.000 0.479 50 A N 4.523 127.343 122.820 0.001 0.000 1.938 50 A HA 0.301 4.622 4.320 0.001 0.000 0.207 50 A C 0.732 178.286 177.584 -0.049 0.000 1.292 50 A CA 0.289 52.310 52.037 -0.028 0.000 0.700 50 A CB 0.282 19.278 19.000 -0.007 0.000 0.947 50 A HN 0.767 nan 8.150 nan 0.000 0.476 51 Q N -1.096 118.698 119.800 -0.009 0.000 2.421 51 Q HA 0.433 4.773 4.340 0.001 0.000 0.280 51 Q C -1.673 174.383 176.000 0.093 0.000 1.085 51 Q CA -0.555 55.238 55.803 -0.018 0.000 0.807 51 Q CB 1.800 30.543 28.738 0.008 0.000 1.405 51 Q HN 0.620 nan 8.270 nan 0.000 0.419 52 H N 1.836 120.900 119.070 -0.009 0.000 2.741 52 H HA 0.188 4.745 4.556 0.001 0.000 0.282 52 H C 0.707 176.038 175.328 0.005 0.000 1.122 52 H CA -0.355 55.692 56.048 -0.003 0.000 1.293 52 H CB 0.724 30.478 29.762 -0.014 0.000 1.415 52 H HN 0.453 nan 8.280 nan 0.000 0.472 53 L N 2.836 124.137 121.223 0.130 0.000 2.265 53 L HA -0.057 4.283 4.340 0.001 0.000 0.215 53 L C 1.353 178.258 176.870 0.058 0.000 1.117 53 L CA 0.919 55.802 54.840 0.073 0.000 0.782 53 L CB -0.435 41.658 42.059 0.056 0.000 0.914 53 L HN 0.930 nan 8.230 nan 0.000 0.441 54 G N -0.216 108.619 108.800 0.058 0.000 2.710 54 G HA2 -0.221 3.740 3.960 0.001 0.000 0.668 54 G HA3 -0.221 3.740 3.960 0.001 0.000 0.668 54 G C 0.045 174.954 174.900 0.015 0.000 1.320 54 G CA -0.303 44.815 45.100 0.030 0.000 0.860 54 G HN 0.333 nan 8.290 nan 0.000 0.538 55 E N -1.043 119.161 120.200 0.007 0.000 2.360 55 E HA -0.198 4.152 4.350 0.001 0.000 0.238 55 E C 1.068 177.672 176.600 0.007 0.000 1.186 55 E CA 1.157 57.560 56.400 0.006 0.000 0.719 55 E CB -1.478 28.228 29.700 0.009 0.000 1.236 55 E HN 1.984 nan 8.360 nan 0.000 0.386 56 S N -2.086 113.610 115.700 -0.007 0.000 3.445 56 S HA -0.219 4.251 4.470 0.001 0.000 0.319 56 S C 0.190 174.820 174.600 0.049 0.000 1.209 56 S CA 1.507 59.708 58.200 0.001 0.000 0.934 56 S CB -0.913 62.301 63.200 0.023 0.000 0.999 56 S HN 0.453 nan 8.310 nan 0.000 0.582 57 T N 1.546 116.122 114.554 0.035 0.000 2.855 57 T HA 0.632 4.983 4.350 0.001 0.000 0.281 57 T C 0.169 174.916 174.700 0.079 0.000 1.007 57 T CA -0.279 61.864 62.100 0.072 0.000 1.009 57 T CB 1.838 70.734 68.868 0.046 0.000 0.983 57 T HN 0.526 nan 8.240 nan 0.000 0.455 58 V N 1.375 121.374 119.914 0.142 0.000 2.680 58 V HA 0.747 4.868 4.120 0.001 0.000 0.309 58 V C -0.350 175.827 176.094 0.138 0.000 1.052 58 V CA -1.371 61.029 62.300 0.167 0.000 0.908 58 V CB 1.664 33.611 31.823 0.208 0.000 1.001 58 V HN 0.836 nan 8.190 nan 0.000 0.431 59 R N 2.754 123.323 120.500 0.115 0.000 2.265 59 R HA 0.713 5.053 4.340 0.001 0.000 0.319 59 R C 0.088 176.431 176.300 0.071 0.000 1.006 59 R CA 0.389 56.535 56.100 0.076 0.000 0.880 59 R CB 1.315 31.646 30.300 0.051 0.000 1.077 59 R HN 1.164 nan 8.270 nan 0.000 0.454 60 T N 0.987 115.579 114.554 0.063 0.000 2.910 60 T HA 0.581 4.932 4.350 0.001 0.000 0.287 60 T C -0.091 174.631 174.700 0.037 0.000 1.050 60 T CA -0.851 61.283 62.100 0.057 0.000 1.011 60 T CB 1.165 70.080 68.868 0.077 0.000 1.195 60 T HN 0.430 nan 8.240 nan 0.000 0.540 61 I N 1.119 121.710 120.570 0.035 0.000 2.436 61 I HA 0.592 4.762 4.170 0.001 0.000 0.289 61 I C 0.293 176.428 176.117 0.030 0.000 1.010 61 I CA -1.221 60.094 61.300 0.025 0.000 1.098 61 I CB 1.842 39.855 38.000 0.021 0.000 1.266 61 I HN 0.987 nan 8.210 nan 0.000 0.434 62 A N 7.032 129.865 122.820 0.021 0.000 2.354 62 A HA 0.520 4.841 4.320 0.001 0.000 0.269 62 A C 0.529 178.126 177.584 0.021 0.000 1.109 62 A CA -0.330 51.720 52.037 0.022 0.000 0.800 62 A CB 0.506 19.514 19.000 0.015 0.000 1.045 62 A HN 0.726 nan 8.150 nan 0.000 0.489 63 M N 1.128 120.743 119.600 0.025 0.000 2.419 63 M HA 0.257 4.738 4.480 0.001 0.000 0.252 63 M C -0.328 175.984 176.300 0.019 0.000 1.143 63 M CA 0.308 55.622 55.300 0.025 0.000 0.985 63 M CB -1.070 31.548 32.600 0.031 0.000 1.489 63 M HN 0.788 nan 8.290 nan 0.000 0.484 64 D N -1.178 119.231 120.400 0.016 0.000 2.725 64 D HA 0.410 5.050 4.640 0.001 0.000 0.292 64 D C -0.508 175.797 176.300 0.008 0.000 1.288 64 D CA -0.142 53.866 54.000 0.012 0.000 0.784 64 D CB 0.993 41.800 40.800 0.013 0.000 1.308 64 D HN 0.141 nan 8.370 nan 0.000 0.429 65 G N -0.791 108.012 108.800 0.006 0.000 2.474 65 G HA2 0.340 4.300 3.960 0.001 0.000 0.233 65 G HA3 0.340 4.300 3.960 0.001 0.000 0.233 65 G C 0.749 175.651 174.900 0.003 0.000 1.278 65 G CA 0.777 45.879 45.100 0.004 0.000 0.861 65 G HN 0.446 nan 8.290 nan 0.000 0.567 66 T N -1.760 112.795 114.554 0.001 0.000 3.182 66 T HA 0.204 4.554 4.350 0.001 0.000 0.277 66 T C 0.507 175.207 174.700 -0.002 0.000 1.013 66 T CA -0.140 61.961 62.100 0.000 0.000 0.900 66 T CB 0.210 69.079 68.868 0.000 0.000 1.098 66 T HN 0.632 nan 8.240 nan 0.000 0.543 67 E N 1.588 121.787 120.200 -0.001 0.000 2.384 67 E HA 0.426 4.777 4.350 0.001 0.000 0.266 67 E C 1.116 177.715 176.600 -0.003 0.000 1.012 67 E CA 0.478 56.876 56.400 -0.002 0.000 0.901 67 E CB 0.509 30.208 29.700 -0.002 0.000 0.967 67 E HN 0.442 nan 8.360 nan 0.000 0.435 68 G N 3.064 111.861 108.800 -0.004 0.000 2.349 68 G HA2 -0.248 3.712 3.960 0.001 0.000 0.213 68 G HA3 -0.248 3.712 3.960 0.001 0.000 0.213 68 G C 0.284 175.180 174.900 -0.007 0.000 1.044 68 G CA -0.079 45.018 45.100 -0.005 0.000 0.633 68 G HN 0.495 nan 8.290 nan 0.000 0.506 69 L N 1.806 123.024 121.223 -0.008 0.000 2.499 69 L HA 0.430 4.771 4.340 0.001 0.000 0.273 69 L C 0.577 177.440 176.870 -0.013 0.000 1.195 69 L CA -0.100 54.734 54.840 -0.011 0.000 0.882 69 L CB 0.959 43.012 42.059 -0.010 0.000 1.133 69 L HN 0.090 nan 8.230 nan 0.000 0.483 70 V N 3.662 123.566 119.914 -0.017 0.000 2.667 70 V HA 0.383 4.503 4.120 0.001 0.000 0.308 70 V C 0.299 176.378 176.094 -0.024 0.000 1.048 70 V CA -0.991 61.298 62.300 -0.018 0.000 0.928 70 V CB 1.863 33.675 31.823 -0.018 0.000 1.004 70 V HN 0.683 nan 8.190 nan 0.000 0.444 71 R N 1.835 122.321 120.500 -0.023 0.000 2.640 71 R HA 0.388 4.729 4.340 0.001 0.000 0.270 71 R C 1.379 177.659 176.300 -0.034 0.000 1.024 71 R CA 1.167 57.250 56.100 -0.029 0.000 1.085 71 R CB 0.023 30.308 30.300 -0.024 0.000 0.963 71 R HN 1.189 nan 8.270 nan 0.000 0.426 72 G N 1.174 109.947 108.800 -0.045 0.000 2.284 72 G HA2 -0.351 3.610 3.960 0.001 0.000 0.230 72 G HA3 -0.351 3.610 3.960 0.001 0.000 0.230 72 G C 0.229 175.095 174.900 -0.057 0.000 1.021 72 G CA 0.153 45.223 45.100 -0.049 0.000 0.619 72 G HN 0.607 nan 8.290 nan 0.000 0.510 73 Q N 1.605 121.374 119.800 -0.050 0.000 2.349 73 Q HA 0.345 4.686 4.340 0.001 0.000 0.287 73 Q C 0.246 176.204 176.000 -0.070 0.000 1.044 73 Q CA 0.296 56.069 55.803 -0.049 0.000 0.918 73 Q CB 0.379 29.095 28.738 -0.037 0.000 1.242 73 Q HN 0.332 nan 8.270 nan 0.000 0.405 74 K N 2.126 122.488 120.400 -0.064 0.000 2.144 74 K HA 0.423 4.743 4.320 0.001 0.000 0.270 74 K C -0.923 175.630 176.600 -0.079 0.000 1.005 74 K CA -0.454 55.783 56.287 -0.083 0.000 0.932 74 K CB 1.490 33.955 32.500 -0.060 0.000 1.021 74 K HN 0.400 nan 8.250 nan 0.000 0.462 75 V N 2.996 122.842 119.914 -0.113 0.000 2.760 75 V HA 0.417 4.537 4.120 0.001 0.000 0.309 75 V C -0.451 175.642 176.094 -0.002 0.000 1.077 75 V CA -0.985 61.278 62.300 -0.062 0.000 0.910 75 V CB 1.996 33.774 31.823 -0.076 0.000 1.008 75 V HN 0.550 nan 8.190 nan 0.000 0.424 76 L N 2.520 123.782 121.223 0.064 0.000 2.329 76 L HA 0.556 4.897 4.340 0.001 0.000 0.279 76 L C -0.290 176.672 176.870 0.153 0.000 1.014 76 L CA -0.603 54.304 54.840 0.111 0.000 0.814 76 L CB 1.791 43.885 42.059 0.058 0.000 1.257 76 L HN 0.603 nan 8.230 nan 0.000 0.424 77 D N 0.912 121.425 120.400 0.188 0.000 2.425 77 D HA -0.008 4.632 4.640 0.001 0.000 0.247 77 D C 1.072 177.400 176.300 0.047 0.000 1.147 77 D CA 0.129 54.188 54.000 0.099 0.000 0.879 77 D CB 1.450 42.263 40.800 0.021 0.000 1.179 77 D HN 0.566 nan 8.370 nan 0.000 0.456 78 S N 2.488 118.206 115.700 0.030 0.000 2.496 78 S HA 0.138 4.609 4.470 0.001 0.000 0.224 78 S C 1.702 176.298 174.600 -0.007 0.000 0.996 78 S CA 0.683 58.888 58.200 0.008 0.000 0.927 78 S CB -0.036 63.167 63.200 0.005 0.000 0.774 78 S HN 0.885 nan 8.310 nan 0.000 0.524 79 G N 0.554 109.348 108.800 -0.009 0.000 2.225 79 G HA2 -0.039 3.921 3.960 0.001 0.000 0.254 79 G HA3 -0.039 3.921 3.960 0.001 0.000 0.254 79 G C 0.203 175.094 174.900 -0.015 0.000 0.988 79 G CA -0.016 45.073 45.100 -0.018 0.000 0.625 79 G HN 1.498 nan 8.290 nan 0.000 0.527 80 A N -0.372 122.443 122.820 -0.008 0.000 2.530 80 A HA 0.945 5.266 4.320 0.001 0.000 0.288 80 A C -2.921 174.676 177.584 0.020 0.000 1.172 80 A CA -1.094 50.945 52.037 0.003 0.000 0.733 80 A CB 1.300 20.300 19.000 0.001 0.000 1.320 80 A HN 0.084 nan 8.150 nan 0.000 0.419 81 P HA 0.260 nan 4.420 nan 0.000 0.271 81 P C -0.318 177.031 177.300 0.081 0.000 1.233 81 P CA -0.121 63.032 63.100 0.087 0.000 0.789 81 P CB 0.135 31.928 31.700 0.154 0.000 0.951 82 I N 1.130 121.758 120.570 0.096 0.000 3.114 82 I HA -0.195 3.976 4.170 0.001 0.000 0.320 82 I C 1.182 177.335 176.117 0.059 0.000 1.230 82 I CA 1.200 62.539 61.300 0.066 0.000 1.440 82 I CB -0.337 37.699 38.000 0.059 0.000 1.334 82 I HN 0.179 nan 8.210 nan 0.000 0.532 83 R N 7.069 127.605 120.500 0.061 0.000 2.589 83 R HA 0.770 5.110 4.340 0.001 0.000 0.293 83 R C -0.703 175.707 176.300 0.184 0.000 0.963 83 R CA -0.890 55.272 56.100 0.104 0.000 0.905 83 R CB 2.160 32.501 30.300 0.069 0.000 1.144 83 R HN 0.613 nan 8.270 nan 0.000 0.459 84 I N -1.150 119.548 120.570 0.213 0.000 2.647 84 I HA 0.561 4.731 4.170 0.001 0.000 0.295 84 I C -2.714 173.393 176.117 -0.018 0.000 1.078 84 I CA -3.162 58.224 61.300 0.143 0.000 1.048 84 I CB 2.331 40.341 38.000 0.018 0.000 1.239 84 I HN 0.324 nan 8.210 nan 0.000 0.421 85 P HA 0.116 nan 4.420 nan 0.000 0.264 85 P C -0.720 176.291 177.300 -0.483 0.000 1.183 85 P CA 0.024 62.715 63.100 -0.682 0.000 0.763 85 P CB 0.546 31.979 31.700 -0.444 0.000 0.807 86 V N 0.129 119.672 119.914 -0.618 0.000 3.078 86 V HA 1.008 5.129 4.120 0.001 0.000 0.311 86 V C 0.137 175.599 176.094 -1.053 0.000 1.138 86 V CA -0.175 61.695 62.300 -0.716 0.000 1.007 86 V CB 1.508 32.978 31.823 -0.588 0.000 1.045 86 V HN 0.951 nan 8.190 nan 0.000 0.432 87 G N 2.615 110.522 108.800 -1.488 0.000 2.362 87 G HA2 0.088 4.048 3.960 0.001 0.000 0.517 87 G HA3 0.088 4.048 3.960 0.001 0.000 0.517 87 G C -2.728 171.914 174.900 -0.431 0.000 1.256 87 G CA -0.002 44.342 45.100 -1.261 0.000 1.027 87 G HN 0.663 nan 8.290 nan 0.000 0.491 88 P HA 0.067 nan 4.420 nan 0.000 0.221 88 P C 1.374 178.641 177.300 -0.056 0.000 1.150 88 P CA 1.685 64.781 63.100 -0.005 0.000 0.800 88 P CB 0.034 31.744 31.700 0.017 0.000 0.787 89 E N -0.440 119.701 120.200 -0.098 0.000 2.494 89 E HA -0.028 4.322 4.350 0.001 0.000 0.193 89 E C 0.930 177.485 176.600 -0.075 0.000 1.074 89 E CA 0.985 57.337 56.400 -0.079 0.000 0.867 89 E CB -1.087 28.563 29.700 -0.083 0.000 0.924 89 E HN 0.332 nan 8.360 nan 0.000 0.502 90 T N -0.617 113.893 114.554 -0.074 0.000 2.985 90 T HA 0.053 4.403 4.350 0.001 0.000 0.266 90 T C 1.216 175.929 174.700 0.022 0.000 1.076 90 T CA -0.111 61.967 62.100 -0.035 0.000 1.135 90 T CB -0.355 68.488 68.868 -0.042 0.000 0.890 90 T HN 0.036 nan 8.240 nan 0.000 0.480 91 L N 2.226 123.457 121.223 0.014 0.000 2.559 91 L HA 0.382 4.723 4.340 0.001 0.000 0.274 91 L C 1.702 178.580 176.870 0.012 0.000 1.205 91 L CA 1.009 55.838 54.840 -0.018 0.000 0.907 91 L CB -0.072 41.913 42.059 -0.124 0.000 1.153 91 L HN 0.580 nan 8.230 nan 0.000 0.490 92 G N 1.842 110.670 108.800 0.047 0.000 2.179 92 G HA2 -0.225 3.735 3.960 0.001 0.000 0.260 92 G HA3 -0.225 3.735 3.960 0.001 0.000 0.260 92 G C 0.322 175.300 174.900 0.131 0.000 0.977 92 G CA -0.333 44.815 45.100 0.080 0.000 0.641 92 G HN 0.448 nan 8.290 nan 0.000 0.533 93 R N -0.121 120.435 120.500 0.093 0.000 2.604 93 R HA 0.728 5.069 4.340 0.001 0.000 0.287 93 R C 0.217 176.553 176.300 0.061 0.000 0.970 93 R CA -1.057 55.085 56.100 0.070 0.000 0.946 93 R CB 0.922 31.238 30.300 0.026 0.000 1.127 93 R HN 0.307 nan 8.270 nan 0.000 0.473 94 I N 3.892 124.460 120.570 -0.002 0.000 2.339 94 I HA 0.381 4.551 4.170 0.001 0.000 0.290 94 I C 0.628 176.746 176.117 0.001 0.000 0.994 94 I CA -0.511 60.786 61.300 -0.006 0.000 1.191 94 I CB 1.086 38.995 38.000 -0.153 0.000 1.343 94 I HN 0.357 nan 8.210 nan 0.000 0.458 95 M N 4.256 123.879 119.600 0.038 0.000 2.724 95 M HA 0.616 5.096 4.480 0.001 0.000 0.310 95 M C -0.791 175.537 176.300 0.047 0.000 1.217 95 M CA -0.825 54.490 55.300 0.025 0.000 0.894 95 M CB 1.776 34.382 32.600 0.010 0.000 1.719 95 M HN 0.486 nan 8.290 nan 0.000 0.479 96 N N 0.660 119.381 118.700 0.035 0.000 2.566 96 N HA 0.359 5.099 4.740 0.001 0.000 0.299 96 N C 0.865 176.394 175.510 0.030 0.000 1.277 96 N CA -0.581 52.495 53.050 0.043 0.000 0.965 96 N CB -0.326 38.182 38.487 0.035 0.000 1.142 96 N HN 0.649 nan 8.380 nan 0.000 0.596 97 V N -1.062 118.869 119.914 0.029 0.000 2.277 97 V HA -0.280 3.840 4.120 0.001 0.000 0.253 97 V C 1.853 177.956 176.094 0.015 0.000 1.067 97 V CA 2.416 64.726 62.300 0.017 0.000 1.047 97 V CB -1.421 30.414 31.823 0.021 0.000 0.649 97 V HN 0.774 nan 8.190 nan 0.000 0.447 98 I N -1.846 118.739 120.570 0.024 0.000 3.861 98 I HA 0.661 4.832 4.170 0.001 0.000 0.329 98 I C 1.444 177.587 176.117 0.043 0.000 1.321 98 I CA 0.582 61.901 61.300 0.032 0.000 1.126 98 I CB -0.087 37.933 38.000 0.034 0.000 1.018 98 I HN 0.424 nan 8.210 nan 0.000 0.407 99 G N 1.200 110.020 108.800 0.033 0.000 2.176 99 G HA2 -0.270 3.690 3.960 0.001 0.000 0.253 99 G HA3 -0.270 3.690 3.960 0.001 0.000 0.253 99 G C -0.031 174.891 174.900 0.037 0.000 0.979 99 G CA -0.001 45.120 45.100 0.034 0.000 0.641 99 G HN 0.615 nan 8.290 nan 0.000 0.530 100 E N 2.305 122.526 120.200 0.035 0.000 2.376 100 E HA 0.301 4.651 4.350 0.001 0.000 0.266 100 E C -1.882 174.726 176.600 0.014 0.000 1.009 100 E CA -1.271 55.146 56.400 0.028 0.000 0.902 100 E CB 0.874 30.588 29.700 0.023 0.000 0.972 100 E HN 0.243 nan 8.360 nan 0.000 0.439 101 P HA -0.052 nan 4.420 nan 0.000 0.268 101 P C 0.030 177.321 177.300 -0.015 0.000 1.204 101 P CA 0.680 63.778 63.100 -0.005 0.000 0.768 101 P CB 0.306 32.005 31.700 -0.002 0.000 0.842 102 I N -0.777 119.771 120.570 -0.036 0.000 3.817 102 I HA 0.251 4.421 4.170 0.001 0.000 0.325 102 I C 0.116 176.167 176.117 -0.111 0.000 1.550 102 I CA -0.326 60.939 61.300 -0.058 0.000 1.100 102 I CB 0.122 38.092 38.000 -0.049 0.000 1.216 102 I HN 0.025 nan 8.210 nan 0.000 0.481 103 D N 0.284 120.621 120.400 -0.106 0.000 2.398 103 D HA 0.034 4.674 4.640 0.001 0.000 0.210 103 D C 0.384 176.655 176.300 -0.048 0.000 1.094 103 D CA -0.164 53.753 54.000 -0.138 0.000 0.839 103 D CB -0.099 40.595 40.800 -0.177 0.000 0.963 103 D HN 0.444 nan 8.370 nan 0.000 0.506 104 E N 0.014 120.197 120.200 -0.029 0.000 2.360 104 E HA -0.249 4.102 4.350 0.001 0.000 0.238 104 E C 0.041 176.649 176.600 0.013 0.000 1.186 104 E CA 0.264 56.661 56.400 -0.004 0.000 0.719 104 E CB -1.025 28.675 29.700 0.000 0.000 1.236 104 E HN 0.449 nan 8.360 nan 0.000 0.386 105 R N -0.246 120.263 120.500 0.014 0.000 2.543 105 R HA 0.331 4.672 4.340 0.001 0.000 0.323 105 R C 0.901 177.211 176.300 0.017 0.000 1.002 105 R CA 0.190 56.305 56.100 0.024 0.000 1.106 105 R CB 1.299 31.622 30.300 0.039 0.000 1.280 105 R HN 0.314 nan 8.270 nan 0.000 0.549 106 G N 1.996 110.803 108.800 0.012 0.000 2.548 106 G HA2 -0.200 3.760 3.960 0.001 0.000 0.208 106 G HA3 -0.200 3.760 3.960 0.001 0.000 0.208 106 G C -2.639 172.268 174.900 0.012 0.000 1.308 106 G CA -1.218 43.889 45.100 0.012 0.000 0.924 106 G HN 0.034 nan 8.290 nan 0.000 0.540 107 P HA 0.530 nan 4.420 nan 0.000 0.272 107 P C -0.161 177.145 177.300 0.011 0.000 1.230 107 P CA -0.218 62.894 63.100 0.020 0.000 0.788 107 P CB 0.422 32.138 31.700 0.026 0.000 0.949 108 I N 2.101 122.675 120.570 0.007 0.000 2.330 108 I HA 0.184 4.355 4.170 0.001 0.000 0.286 108 I C 0.680 176.777 176.117 -0.033 0.000 1.025 108 I CA -0.403 60.881 61.300 -0.026 0.000 1.197 108 I CB 0.451 38.418 38.000 -0.055 0.000 1.358 108 I HN 0.152 nan 8.210 nan 0.000 0.467 109 K N 5.004 125.384 120.400 -0.032 0.000 2.291 109 K HA 0.346 4.666 4.320 0.001 0.000 0.242 109 K C -0.174 176.385 176.600 -0.068 0.000 1.098 109 K CA -0.545 55.732 56.287 -0.018 0.000 1.036 109 K CB -0.147 32.358 32.500 0.009 0.000 1.655 109 K HN 0.541 nan 8.250 nan 0.000 0.432 110 T N -0.738 113.721 114.554 -0.158 0.000 2.899 110 T HA 0.222 4.573 4.350 0.001 0.000 0.284 110 T C 0.932 175.562 174.700 -0.117 0.000 1.004 110 T CA -0.868 61.096 62.100 -0.226 0.000 1.043 110 T CB 1.825 70.410 68.868 -0.471 0.000 1.013 110 T HN 0.365 nan 8.240 nan 0.000 0.518 111 K N 0.459 120.806 120.400 -0.089 0.000 2.031 111 K HA 0.009 4.330 4.320 0.001 0.000 0.205 111 K C 0.683 177.300 176.600 0.028 0.000 1.049 111 K CA 0.962 57.249 56.287 -0.000 0.000 0.939 111 K CB -0.054 32.450 32.500 0.006 0.000 0.717 111 K HN 0.551 nan 8.250 nan 0.000 0.438 112 Q N -0.351 119.395 119.800 -0.091 0.000 2.227 112 Q HA 0.416 4.757 4.340 0.001 0.000 0.245 112 Q C -0.971 174.905 176.000 -0.207 0.000 0.926 112 Q CA -0.207 55.569 55.803 -0.046 0.000 0.895 112 Q CB 0.968 29.680 28.738 -0.043 0.000 1.230 112 Q HN -0.036 nan 8.270 nan 0.000 0.450 113 F N -0.031 119.887 119.950 -0.053 0.000 2.588 113 F HA 0.808 5.335 4.527 0.001 0.000 0.314 113 F C -0.366 175.414 175.800 -0.035 0.000 1.069 113 F CA -0.865 57.099 58.000 -0.060 0.000 0.931 113 F CB 1.942 40.918 39.000 -0.040 0.000 1.260 113 F HN 0.572 nan 8.300 nan 0.000 0.465 114 A N 1.015 123.907 122.820 0.119 0.000 2.423 114 A HA 0.894 5.214 4.320 0.001 0.000 0.304 114 A C -1.229 176.401 177.584 0.078 0.000 1.104 114 A CA -0.713 51.372 52.037 0.080 0.000 0.757 114 A CB 1.122 20.141 19.000 0.032 0.000 1.313 114 A HN 0.989 nan 8.150 nan 0.000 0.423 115 A N 0.775 123.630 122.820 0.059 0.000 2.363 115 A HA 0.487 4.807 4.320 0.001 0.000 0.270 115 A C 1.118 178.703 177.584 0.001 0.000 1.121 115 A CA 0.048 52.114 52.037 0.049 0.000 0.800 115 A CB -0.283 18.758 19.000 0.068 0.000 1.052 115 A HN 1.633 nan 8.150 nan 0.000 0.493 116 I N -0.391 120.148 120.570 -0.052 0.000 2.756 116 I HA -0.033 4.138 4.170 0.001 0.000 0.262 116 I C -0.046 175.888 176.117 -0.305 0.000 1.225 116 I CA 0.764 61.955 61.300 -0.183 0.000 1.472 116 I CB -0.345 37.513 38.000 -0.236 0.000 1.094 116 I HN 0.494 nan 8.210 nan 0.000 0.454 117 H N 2.439 121.514 119.070 0.007 0.000 2.541 117 H HA 0.767 5.323 4.556 0.001 0.000 0.316 117 H C -0.425 174.903 175.328 -0.001 0.000 1.043 117 H CA -0.229 55.821 56.048 0.002 0.000 1.232 117 H CB 1.487 31.251 29.762 0.005 0.000 1.406 117 H HN 0.398 nan 8.280 nan 0.000 0.469 118 A N 3.344 126.219 122.820 0.092 0.000 2.527 118 A HA 0.423 4.744 4.320 0.001 0.000 0.293 118 A C -0.279 177.332 177.584 0.044 0.000 1.117 118 A CA -0.901 51.168 52.037 0.054 0.000 0.723 118 A CB 1.826 20.838 19.000 0.021 0.000 1.313 118 A HN 0.660 nan 8.150 nan 0.000 0.411 119 E N 0.460 120.678 120.200 0.029 0.000 2.349 119 E HA 0.471 4.822 4.350 0.001 0.000 0.265 119 E C 0.156 176.763 176.600 0.012 0.000 1.064 119 E CA -0.292 56.121 56.400 0.022 0.000 0.886 119 E CB 1.378 31.090 29.700 0.019 0.000 1.036 119 E HN 0.763 nan 8.360 nan 0.000 0.413 120 A N 3.402 126.228 122.820 0.010 0.000 2.371 120 A HA 0.304 4.625 4.320 0.001 0.000 0.257 120 A C -2.119 175.469 177.584 0.007 0.000 1.089 120 A CA -1.223 50.815 52.037 0.002 0.000 0.794 120 A CB -0.352 18.650 19.000 0.003 0.000 1.029 120 A HN 0.333 nan 8.150 nan 0.000 0.488 121 P HA 0.005 nan 4.420 nan 0.000 0.264 121 P C -0.003 177.307 177.300 0.016 0.000 1.173 121 P CA 0.373 63.471 63.100 -0.003 0.000 0.761 121 P CB 0.389 32.077 31.700 -0.020 0.000 0.794 122 E N 1.497 121.711 120.200 0.023 0.000 2.391 122 E HA 0.003 4.353 4.350 0.001 0.000 0.255 122 E C 0.903 177.551 176.600 0.081 0.000 1.187 122 E CA -0.254 56.183 56.400 0.063 0.000 0.941 122 E CB 0.092 29.829 29.700 0.062 0.000 1.010 122 E HN 0.407 nan 8.360 nan 0.000 0.458 123 F N 1.750 121.700 119.950 0.000 0.000 2.126 123 F HA -0.243 4.285 4.527 0.000 0.000 0.299 123 F C 1.895 177.695 175.800 -0.001 0.000 1.096 123 F CA 1.879 59.879 58.000 0.001 0.000 1.255 123 F CB -0.166 38.835 39.000 0.002 0.000 0.997 123 F HN 0.263 nan 8.300 nan 0.000 0.479 124 V N -2.023 117.907 119.914 0.026 0.000 2.913 124 V HA -0.163 3.957 4.120 0.001 0.000 0.260 124 V C 1.552 177.569 176.094 -0.129 0.000 1.098 124 V CA 1.922 64.183 62.300 -0.065 0.000 1.121 124 V CB -1.016 30.834 31.823 0.046 0.000 0.714 124 V HN 0.453 nan 8.190 nan 0.000 0.487 125 E N 0.048 120.182 120.200 -0.110 0.000 2.478 125 E HA 0.149 4.499 4.350 0.001 0.000 0.194 125 E C 0.648 177.169 176.600 -0.131 0.000 1.045 125 E CA -0.170 56.174 56.400 -0.094 0.000 0.868 125 E CB -0.006 29.663 29.700 -0.052 0.000 0.885 125 E HN 0.483 nan 8.360 nan 0.000 0.505 126 M N 0.817 120.285 119.600 -0.220 0.000 2.245 126 M HA 0.080 4.560 4.480 0.001 0.000 0.330 126 M C 0.440 176.635 176.300 -0.175 0.000 1.098 126 M CA 0.271 55.443 55.300 -0.215 0.000 1.172 126 M CB 0.964 33.370 32.600 -0.323 0.000 1.467 126 M HN -0.165 nan 8.290 nan 0.000 0.454 127 S N 0.813 116.441 115.700 -0.121 0.000 2.501 127 S HA 0.569 5.039 4.470 0.001 0.000 0.301 127 S C 0.538 175.091 174.600 -0.077 0.000 1.096 127 S CA -0.890 57.257 58.200 -0.088 0.000 1.063 127 S CB 1.024 64.188 63.200 -0.061 0.000 1.042 127 S HN 0.536 nan 8.310 nan 0.000 0.494 128 V N 0.923 120.799 119.914 -0.063 0.000 3.621 128 V HA 0.451 4.571 4.120 0.001 0.000 0.285 128 V C 0.346 176.424 176.094 -0.027 0.000 1.346 128 V CA -0.205 62.067 62.300 -0.046 0.000 1.104 128 V CB -0.513 31.285 31.823 -0.042 0.000 0.913 128 V HN 0.713 nan 8.190 nan 0.000 0.432 129 E N 1.967 122.151 120.200 -0.026 0.000 2.316 129 E HA 0.392 4.742 4.350 0.001 0.000 0.275 129 E C -0.667 175.928 176.600 -0.009 0.000 1.029 129 E CA 0.255 56.645 56.400 -0.015 0.000 0.871 129 E CB 1.356 31.047 29.700 -0.014 0.000 1.022 129 E HN 0.599 nan 8.360 nan 0.000 0.418 130 Q N 2.068 121.867 119.800 -0.002 0.000 2.303 130 Q HA 0.297 4.637 4.340 0.001 0.000 0.267 130 Q C -1.020 174.986 176.000 0.010 0.000 1.011 130 Q CA -0.255 55.551 55.803 0.005 0.000 0.740 130 Q CB 1.881 30.622 28.738 0.005 0.000 1.250 130 Q HN 0.430 nan 8.270 nan 0.000 0.458 131 E N 3.346 123.556 120.200 0.017 0.000 2.263 131 E HA 0.339 4.690 4.350 0.001 0.000 0.268 131 E C -1.168 175.453 176.600 0.036 0.000 0.884 131 E CA -0.641 55.773 56.400 0.023 0.000 0.766 131 E CB 1.734 31.446 29.700 0.021 0.000 1.196 131 E HN 0.614 nan 8.360 nan 0.000 0.416 132 I N 4.458 125.053 120.570 0.042 0.000 2.752 132 I HA 0.008 4.178 4.170 0.001 0.000 0.287 132 I C -0.784 175.371 176.117 0.064 0.000 1.188 132 I CA -0.011 61.323 61.300 0.057 0.000 1.427 132 I CB 0.424 38.462 38.000 0.063 0.000 1.365 132 I HN 0.509 nan 8.210 nan 0.000 0.585 133 L N 8.854 130.126 121.223 0.082 0.000 2.301 133 L HA 0.360 4.701 4.340 0.001 0.000 0.278 133 L C -0.701 176.212 176.870 0.071 0.000 1.022 133 L CA -0.383 54.508 54.840 0.086 0.000 0.854 133 L CB 1.179 43.305 42.059 0.112 0.000 1.226 133 L HN 0.314 nan 8.230 nan 0.000 0.429 134 V N 4.359 124.305 119.914 0.053 0.000 2.485 134 V HA 0.093 4.213 4.120 0.001 0.000 0.287 134 V C 1.537 177.645 176.094 0.023 0.000 1.022 134 V CA 0.798 63.117 62.300 0.032 0.000 1.067 134 V CB 0.569 32.415 31.823 0.037 0.000 0.967 134 V HN 0.940 nan 8.190 nan 0.000 0.479 135 T N 0.562 115.106 114.554 -0.017 0.000 3.044 135 T HA 0.260 4.610 4.350 0.001 0.000 0.250 135 T C 1.526 176.214 174.700 -0.020 0.000 1.081 135 T CA 0.788 62.881 62.100 -0.013 0.000 1.040 135 T CB 0.413 69.247 68.868 -0.056 0.000 0.962 135 T HN 1.421 nan 8.240 nan 0.000 0.506 136 G N 1.647 110.439 108.800 -0.014 0.000 2.205 136 G HA2 -0.223 3.737 3.960 0.001 0.000 0.261 136 G HA3 -0.223 3.737 3.960 0.001 0.000 0.261 136 G C 0.043 174.951 174.900 0.013 0.000 0.980 136 G CA 0.178 45.278 45.100 -0.000 0.000 0.632 136 G HN 0.675 nan 8.290 nan 0.000 0.533 137 I N 1.245 121.816 120.570 0.002 0.000 2.352 137 I HA 0.241 4.412 4.170 0.001 0.000 0.290 137 I C 1.663 177.797 176.117 0.029 0.000 1.036 137 I CA -0.559 60.782 61.300 0.069 0.000 1.336 137 I CB 1.225 39.283 38.000 0.097 0.000 1.407 137 I HN 0.003 nan 8.210 nan 0.000 0.497 138 K N 3.912 124.333 120.400 0.035 0.000 2.001 138 K HA -0.181 4.140 4.320 0.001 0.000 0.214 138 K C 1.811 178.410 176.600 -0.003 0.000 1.050 138 K CA 1.729 58.029 56.287 0.020 0.000 0.934 138 K CB -0.223 32.265 32.500 -0.020 0.000 0.718 138 K HN 0.595 nan 8.250 nan 0.000 0.443 139 V N 0.692 120.601 119.914 -0.008 0.000 2.252 139 V HA -0.254 3.866 4.120 0.001 0.000 0.249 139 V C 2.348 178.403 176.094 -0.065 0.000 1.056 139 V CA 1.802 64.071 62.300 -0.051 0.000 1.022 139 V CB -0.886 30.933 31.823 -0.005 0.000 0.641 139 V HN 0.079 nan 8.190 nan 0.000 0.445 140 V N 0.597 120.470 119.914 -0.067 0.000 2.237 140 V HA -0.264 3.857 4.120 0.001 0.000 0.245 140 V C 2.469 178.464 176.094 -0.165 0.000 1.046 140 V CA 2.483 64.679 62.300 -0.173 0.000 1.007 140 V CB -0.822 30.783 31.823 -0.363 0.000 0.638 140 V HN 0.526 nan 8.190 nan 0.000 0.445 141 D N -0.461 119.867 120.400 -0.120 0.000 2.149 141 D HA -0.161 4.479 4.640 0.001 0.000 0.198 141 D C 1.821 178.168 176.300 0.079 0.000 0.990 141 D CA 1.354 55.332 54.000 -0.037 0.000 0.839 141 D CB -0.128 40.658 40.800 -0.023 0.000 0.948 141 D HN 0.377 nan 8.370 nan 0.000 0.460 142 L N -0.269 120.970 121.223 0.027 0.000 2.116 142 L HA 0.050 4.391 4.340 0.001 0.000 0.200 142 L C 2.087 179.027 176.870 0.117 0.000 1.084 142 L CA 1.096 55.981 54.840 0.074 0.000 0.766 142 L CB -0.290 41.688 42.059 -0.135 0.000 0.930 142 L HN -0.065 nan 8.230 nan 0.000 0.453 143 L N -0.456 120.747 121.223 -0.034 0.000 2.209 143 L HA 0.227 4.567 4.340 0.001 0.000 0.207 143 L C 0.912 177.764 176.870 -0.029 0.000 1.094 143 L CA 0.652 55.457 54.840 -0.057 0.000 0.790 143 L CB -0.435 41.565 42.059 -0.098 0.000 0.932 143 L HN 0.332 nan 8.230 nan 0.000 0.447 144 A N 0.111 122.923 122.820 -0.013 0.000 3.453 144 A HA 0.431 4.752 4.320 0.001 0.000 0.262 144 A C -2.613 174.977 177.584 0.010 0.000 1.026 144 A CA -0.867 51.181 52.037 0.018 0.000 0.938 144 A CB -0.221 18.813 19.000 0.057 0.000 1.246 144 A HN -0.122 nan 8.150 nan 0.000 0.546 145 P HA 0.128 nan 4.420 nan 0.000 0.269 145 P C -0.421 176.928 177.300 0.080 0.000 1.215 145 P CA 0.435 63.505 63.100 -0.049 0.000 0.780 145 P CB 0.475 32.184 31.700 0.016 0.000 0.898 146 Y N 0.159 120.482 120.300 0.038 0.000 2.289 146 Y HA 0.492 5.042 4.550 0.001 0.000 0.332 146 Y C 1.020 176.928 175.900 0.013 0.000 1.324 146 Y CA -1.204 56.908 58.100 0.021 0.000 1.478 146 Y CB 0.739 39.206 38.460 0.011 0.000 1.378 146 Y HN 0.389 nan 8.280 nan 0.000 0.558 147 A N 0.906 123.831 122.820 0.176 0.000 2.455 147 A HA 0.398 4.719 4.320 0.001 0.000 0.300 147 A C -1.300 176.310 177.584 0.044 0.000 1.040 147 A CA -1.177 50.911 52.037 0.085 0.000 0.697 147 A CB 0.955 19.990 19.000 0.058 0.000 1.265 147 A HN 0.698 nan 8.150 nan 0.000 0.407 148 K N 1.222 121.642 120.400 0.034 0.000 2.430 148 K HA 0.329 4.650 4.320 0.001 0.000 0.280 148 K C 1.056 177.651 176.600 -0.008 0.000 1.063 148 K CA 1.090 57.384 56.287 0.013 0.000 1.071 148 K CB 0.167 32.682 32.500 0.024 0.000 0.899 148 K HN 1.750 nan 8.250 nan 0.000 0.473 149 G N 2.195 110.974 108.800 -0.034 0.000 2.143 149 G HA2 -0.238 3.722 3.960 0.001 0.000 0.248 149 G HA3 -0.238 3.722 3.960 0.001 0.000 0.248 149 G C 0.405 175.273 174.900 -0.053 0.000 0.991 149 G CA -0.092 44.981 45.100 -0.046 0.000 0.689 149 G HN 0.867 nan 8.290 nan 0.000 0.522 150 G N -0.845 107.921 108.800 -0.057 0.000 2.531 150 G HA2 0.637 4.597 3.960 0.001 0.000 0.313 150 G HA3 0.637 4.597 3.960 0.001 0.000 0.313 150 G C -0.274 174.569 174.900 -0.096 0.000 1.238 150 G CA -0.821 44.248 45.100 -0.052 0.000 0.994 150 G HN 0.344 nan 8.290 nan 0.000 0.493 151 K N -0.032 120.319 120.400 -0.080 0.000 2.235 151 K HA 0.474 4.795 4.320 0.001 0.000 0.266 151 K C -0.911 175.608 176.600 -0.135 0.000 0.980 151 K CA -0.240 55.978 56.287 -0.115 0.000 0.849 151 K CB 2.035 34.491 32.500 -0.073 0.000 1.098 151 K HN 0.248 nan 8.250 nan 0.000 0.445 152 I N 1.212 121.635 120.570 -0.245 0.000 2.493 152 I HA 0.418 4.589 4.170 0.001 0.000 0.298 152 I C 0.241 176.198 176.117 -0.265 0.000 0.998 152 I CA -0.557 60.531 61.300 -0.354 0.000 1.137 152 I CB 2.196 39.749 38.000 -0.746 0.000 1.310 152 I HN 0.645 nan 8.210 nan 0.000 0.445 153 G N 6.209 114.905 108.800 -0.173 0.000 2.643 153 G HA2 0.682 4.643 3.960 0.001 0.000 0.305 153 G HA3 0.682 4.643 3.960 0.001 0.000 0.305 153 G C -1.166 173.640 174.900 -0.157 0.000 1.387 153 G CA -0.516 44.452 45.100 -0.220 0.000 0.982 153 G HN 0.431 nan 8.290 nan 0.000 0.501 154 L N 2.321 123.402 121.223 -0.238 0.000 2.283 154 L HA 0.428 4.769 4.340 0.001 0.000 0.281 154 L C -0.780 175.991 176.870 -0.166 0.000 1.033 154 L CA -0.602 54.192 54.840 -0.077 0.000 0.848 154 L CB 0.666 42.722 42.059 -0.005 0.000 1.226 154 L HN 0.329 nan 8.230 nan 0.000 0.429 155 F N 1.479 121.413 119.950 -0.026 0.000 2.396 155 F HA 0.700 5.227 4.527 0.001 0.000 0.343 155 F C 1.014 176.791 175.800 -0.039 0.000 1.104 155 F CA -0.250 57.714 58.000 -0.061 0.000 1.161 155 F CB 1.818 40.771 39.000 -0.078 0.000 1.146 155 F HN 0.436 nan 8.300 nan 0.000 0.522 156 G N 1.260 110.101 108.800 0.068 0.000 2.658 156 G HA2 0.466 4.427 3.960 0.001 0.000 0.301 156 G HA3 0.466 4.427 3.960 0.001 0.000 0.301 156 G C -0.608 174.164 174.900 -0.212 0.000 1.481 156 G CA -0.443 44.646 45.100 -0.017 0.000 0.931 156 G HN 0.924 nan 8.290 nan 0.000 0.573 157 G N -0.122 108.542 108.800 -0.225 0.000 2.683 157 G HA2 0.623 4.584 3.960 0.001 0.000 0.260 157 G HA3 0.623 4.584 3.960 0.001 0.000 0.260 157 G C 0.914 175.606 174.900 -0.348 0.000 1.238 157 G CA 0.398 45.260 45.100 -0.397 0.000 0.934 157 G HN 1.818 nan 8.290 nan 0.000 0.534 158 A N -1.012 121.622 122.820 -0.311 0.000 2.553 158 A HA 0.491 4.811 4.320 0.001 0.000 0.258 158 A C 1.617 179.213 177.584 0.020 0.000 1.069 158 A CA 1.234 53.262 52.037 -0.014 0.000 0.767 158 A CB -0.860 18.208 19.000 0.113 0.000 0.997 158 A HN 2.601 nan 8.150 nan 0.000 0.512 159 G N 0.818 109.652 108.800 0.057 0.000 2.143 159 G HA2 -0.182 3.779 3.960 0.001 0.000 0.249 159 G HA3 -0.182 3.779 3.960 0.001 0.000 0.249 159 G C 0.781 175.711 174.900 0.050 0.000 0.981 159 G CA 0.738 45.868 45.100 0.049 0.000 0.665 159 G HN 2.219 nan 8.290 nan 0.000 0.528 160 V N -2.813 117.131 119.914 0.050 0.000 3.608 160 V HA 0.639 4.760 4.120 0.001 0.000 0.269 160 V C 1.583 177.764 176.094 0.144 0.000 1.245 160 V CA 1.345 63.697 62.300 0.087 0.000 1.138 160 V CB 0.232 32.077 31.823 0.037 0.000 0.841 160 V HN 2.170 nan 8.190 nan 0.000 0.451 161 G N 0.273 109.140 108.800 0.112 0.000 2.148 161 G HA2 -0.155 3.806 3.960 0.001 0.000 0.120 161 G HA3 -0.155 3.806 3.960 0.001 0.000 0.120 161 G C 0.502 175.484 174.900 0.138 0.000 1.034 161 G CA 0.183 45.361 45.100 0.132 0.000 0.710 161 G HN 0.402 nan 8.290 nan 0.000 0.495 162 K N -0.300 120.167 120.400 0.112 0.000 2.001 162 K HA -0.034 4.286 4.320 0.001 0.000 0.208 162 K C 2.447 179.123 176.600 0.127 0.000 1.048 162 K CA 1.870 58.224 56.287 0.113 0.000 0.932 162 K CB -0.159 32.398 32.500 0.095 0.000 0.715 162 K HN 0.287 nan 8.250 nan 0.000 0.437 163 T N 0.982 115.612 114.554 0.126 0.000 2.942 163 T HA -0.039 4.312 4.350 0.001 0.000 0.265 163 T C 2.014 176.791 174.700 0.129 0.000 1.062 163 T CA 0.538 62.722 62.100 0.140 0.000 1.139 163 T CB -0.003 68.951 68.868 0.143 0.000 0.883 163 T HN -0.083 nan 8.240 nan 0.000 0.468 164 V N 1.952 121.938 119.914 0.121 0.000 2.332 164 V HA -0.138 3.982 4.120 0.001 0.000 0.248 164 V C 2.393 178.592 176.094 0.176 0.000 1.055 164 V CA 1.430 63.817 62.300 0.145 0.000 1.038 164 V CB -0.609 31.293 31.823 0.132 0.000 0.651 164 V HN 0.355 nan 8.190 nan 0.000 0.450 165 L N -0.197 121.148 121.223 0.204 0.000 2.017 165 L HA -0.137 4.204 4.340 0.001 0.000 0.208 165 L C 2.127 179.060 176.870 0.105 0.000 1.073 165 L CA 1.890 56.847 54.840 0.194 0.000 0.745 165 L CB -0.586 41.617 42.059 0.241 0.000 0.894 165 L HN 0.253 nan 8.230 nan 0.000 0.432 166 I N -1.301 119.347 120.570 0.130 0.000 2.252 166 I HA -0.291 3.879 4.170 0.001 0.000 0.245 166 I C 2.182 178.333 176.117 0.057 0.000 1.102 166 I CA 0.995 62.381 61.300 0.144 0.000 1.385 166 I CB 0.019 38.138 38.000 0.199 0.000 1.064 166 I HN 0.309 nan 8.210 nan 0.000 0.414 167 M N -0.189 119.437 119.600 0.044 0.000 2.117 167 M HA -0.225 4.255 4.480 0.001 0.000 0.262 167 M C 2.173 178.432 176.300 -0.069 0.000 1.065 167 M CA 1.617 56.903 55.300 -0.023 0.000 1.114 167 M CB -1.463 31.144 32.600 0.012 0.000 1.361 167 M HN 0.169 nan 8.290 nan 0.000 0.408 168 E N 0.719 120.868 120.200 -0.086 0.000 2.110 168 E HA -0.122 4.228 4.350 0.001 0.000 0.193 168 E C 2.035 178.523 176.600 -0.186 0.000 0.988 168 E CA 1.213 57.478 56.400 -0.224 0.000 0.804 168 E CB -0.328 29.010 29.700 -0.604 0.000 0.745 168 E HN 0.497 nan 8.360 nan 0.000 0.458 169 L N -0.131 121.038 121.223 -0.089 0.000 2.056 169 L HA -0.112 4.228 4.340 0.001 0.000 0.207 169 L C 2.434 179.319 176.870 0.024 0.000 1.078 169 L CA 0.929 55.785 54.840 0.027 0.000 0.749 169 L CB -0.338 41.836 42.059 0.193 0.000 0.901 169 L HN 0.207 nan 8.230 nan 0.000 0.433 170 I N -0.093 120.405 120.570 -0.121 0.000 2.163 170 I HA -0.347 3.823 4.170 0.001 0.000 0.243 170 I C 2.242 178.292 176.117 -0.111 0.000 1.085 170 I CA 1.579 62.718 61.300 -0.269 0.000 1.347 170 I CB -0.392 37.321 38.000 -0.478 0.000 1.044 170 I HN 0.327 nan 8.210 nan 0.000 0.408 171 N N 1.017 119.660 118.700 -0.096 0.000 2.043 171 N HA -0.192 4.549 4.740 0.001 0.000 0.193 171 N C 1.487 176.978 175.510 -0.033 0.000 1.037 171 N CA 1.674 54.688 53.050 -0.060 0.000 0.851 171 N CB -0.070 38.379 38.487 -0.063 0.000 1.027 171 N HN 0.220 nan 8.380 nan 0.000 0.422 172 N N -0.997 117.679 118.700 -0.040 0.000 2.457 172 N HA -0.005 4.736 4.740 0.001 0.000 0.180 172 N C 0.928 176.452 175.510 0.024 0.000 1.050 172 N CA 0.398 53.436 53.050 -0.019 0.000 0.906 172 N CB 0.355 38.810 38.487 -0.054 0.000 0.968 172 N HN 0.144 nan 8.380 nan 0.000 0.445 173 V N -0.572 119.373 119.914 0.051 0.000 3.058 173 V HA 0.268 4.389 4.120 0.001 0.000 0.233 173 V C 1.931 178.081 176.094 0.093 0.000 1.255 173 V CA 0.833 63.184 62.300 0.083 0.000 1.267 173 V CB -0.284 31.611 31.823 0.121 0.000 1.049 173 V HN 0.151 nan 8.190 nan 0.000 0.486 174 A N 0.462 123.344 122.820 0.104 0.000 1.835 174 A HA -0.231 4.089 4.320 0.001 0.000 0.215 174 A C 2.105 179.767 177.584 0.131 0.000 1.199 174 A CA 2.296 54.406 52.037 0.120 0.000 0.615 174 A CB -0.616 18.436 19.000 0.087 0.000 0.838 174 A HN 0.452 nan 8.150 nan 0.000 0.444 175 K N -0.476 119.965 120.400 0.069 0.000 2.066 175 K HA -0.226 4.095 4.320 0.001 0.000 0.221 175 K C 1.252 177.892 176.600 0.067 0.000 1.056 175 K CA 1.621 57.940 56.287 0.053 0.000 0.950 175 K CB -0.436 32.078 32.500 0.023 0.000 0.726 175 K HN 0.454 nan 8.250 nan 0.000 0.456 176 A N 1.612 124.477 122.820 0.074 0.000 3.135 176 A HA 0.022 4.342 4.320 0.001 0.000 0.253 176 A C -0.625 177.035 177.584 0.126 0.000 1.638 176 A CA -0.116 51.963 52.037 0.070 0.000 1.295 176 A CB -0.501 18.529 19.000 0.051 0.000 1.106 176 A HN 0.409 nan 8.150 nan 0.000 0.648 177 H N -0.126 118.945 119.070 0.002 0.000 3.277 177 H HA 0.281 4.837 4.556 0.001 0.000 0.329 177 H C -0.183 175.122 175.328 -0.038 0.000 1.034 177 H CA 0.102 56.145 56.048 -0.008 0.000 1.530 177 H CB 0.906 30.678 29.762 0.017 0.000 1.837 177 H HN 0.282 nan 8.280 nan 0.000 0.493 178 G N 3.174 111.710 108.800 -0.440 0.000 3.213 178 G HA2 0.440 4.400 3.960 0.001 0.000 0.263 178 G HA3 0.440 4.400 3.960 0.001 0.000 0.263 178 G C 0.310 174.833 174.900 -0.628 0.000 0.829 178 G CA 0.407 45.261 45.100 -0.411 0.000 1.983 178 G HN 0.724 nan 8.290 nan 0.000 0.616 179 G N -0.364 107.958 108.800 -0.796 0.000 2.911 179 G HA2 0.599 4.559 3.960 0.001 0.000 0.299 179 G HA3 0.599 4.559 3.960 0.001 0.000 0.299 179 G C -1.457 173.189 174.900 -0.422 0.000 1.283 179 G CA -0.977 43.730 45.100 -0.655 0.000 0.805 179 G HN 0.218 nan 8.290 nan 0.000 0.548 180 Y N -0.337 119.933 120.300 -0.048 0.000 2.534 180 Y HA 0.666 5.216 4.550 0.001 0.000 0.329 180 Y C 0.491 176.387 175.900 -0.006 0.000 1.154 180 Y CA -0.689 57.320 58.100 -0.151 0.000 1.192 180 Y CB 2.566 40.677 38.460 -0.583 0.000 1.275 180 Y HN 0.432 nan 8.280 nan 0.000 0.491 181 S N 0.674 116.475 115.700 0.169 0.000 2.548 181 S HA 0.687 5.157 4.470 0.001 0.000 0.286 181 S C -1.354 173.350 174.600 0.174 0.000 1.098 181 S CA -0.893 57.423 58.200 0.194 0.000 0.930 181 S CB 1.984 65.351 63.200 0.279 0.000 1.070 181 S HN 0.323 nan 8.310 nan 0.000 0.480 182 V N 2.390 122.423 119.914 0.198 0.000 2.487 182 V HA 0.509 4.630 4.120 0.001 0.000 0.298 182 V C -1.211 175.025 176.094 0.236 0.000 1.028 182 V CA -0.649 61.765 62.300 0.190 0.000 0.860 182 V CB 1.231 33.142 31.823 0.147 0.000 0.991 182 V HN 0.887 nan 8.190 nan 0.000 0.427 183 F N 4.087 124.090 119.950 0.088 0.000 2.361 183 F HA 0.741 5.268 4.527 0.001 0.000 0.364 183 F C 0.452 176.161 175.800 -0.152 0.000 1.117 183 F CA -0.536 57.483 58.000 0.031 0.000 1.071 183 F CB 0.946 39.955 39.000 0.015 0.000 1.188 183 F HN 0.579 nan 8.300 nan 0.000 0.464 184 A N 5.140 127.730 122.820 -0.384 0.000 2.341 184 A HA 0.546 4.866 4.320 0.001 0.000 0.326 184 A C 0.349 177.656 177.584 -0.461 0.000 1.402 184 A CA -0.323 51.505 52.037 -0.348 0.000 0.957 184 A CB -0.200 18.648 19.000 -0.252 0.000 1.151 184 A HN 0.971 nan 8.150 nan 0.000 0.533 185 G N 1.531 110.027 108.800 -0.508 0.000 2.367 185 G HA2 0.459 4.419 3.960 0.001 0.000 0.280 185 G HA3 0.459 4.419 3.960 0.001 0.000 0.280 185 G C -0.345 174.513 174.900 -0.069 0.000 1.175 185 G CA 0.002 44.960 45.100 -0.236 0.000 1.001 185 G HN 0.721 nan 8.290 nan 0.000 0.437 186 V N 2.996 122.901 119.914 -0.014 0.000 2.350 186 V HA 0.593 4.713 4.120 0.001 0.000 0.285 186 V C 1.246 177.375 176.094 0.059 0.000 1.014 186 V CA 0.249 62.555 62.300 0.010 0.000 0.831 186 V CB 0.754 32.562 31.823 -0.025 0.000 1.000 186 V HN 1.305 nan 8.190 nan 0.000 0.433 187 G N 3.274 112.114 108.800 0.068 0.000 2.200 187 G HA2 -0.233 3.728 3.960 0.001 0.000 0.268 187 G HA3 -0.233 3.728 3.960 0.001 0.000 0.268 187 G C 0.404 175.349 174.900 0.076 0.000 0.986 187 G CA 0.820 45.954 45.100 0.057 0.000 0.677 187 G HN 0.607 nan 8.290 nan 0.000 0.532 188 E N -0.225 120.046 120.200 0.118 0.000 4.034 188 E HA 0.426 4.776 4.350 0.001 0.000 0.297 188 E C 1.067 177.746 176.600 0.131 0.000 1.372 188 E CA -0.638 55.841 56.400 0.133 0.000 1.555 188 E CB 0.281 30.087 29.700 0.177 0.000 1.488 188 E HN 0.430 nan 8.360 nan 0.000 0.782 189 R N -0.021 120.559 120.500 0.133 0.000 2.357 189 R HA 0.225 4.565 4.340 0.001 0.000 0.296 189 R C 1.285 177.629 176.300 0.072 0.000 1.052 189 R CA -0.040 56.114 56.100 0.090 0.000 0.988 189 R CB 0.553 30.900 30.300 0.078 0.000 1.025 189 R HN 0.364 nan 8.270 nan 0.000 0.469 190 T N 2.275 116.847 114.554 0.030 0.000 2.821 190 T HA -0.136 4.214 4.350 0.001 0.000 0.267 190 T C 1.597 176.259 174.700 -0.063 0.000 1.046 190 T CA 1.537 63.618 62.100 -0.032 0.000 1.139 190 T CB -0.067 68.781 68.868 -0.033 0.000 0.871 190 T HN 0.552 nan 8.240 nan 0.000 0.454 191 R N 1.727 122.217 120.500 -0.017 0.000 2.280 191 R HA 0.139 4.479 4.340 0.001 0.000 0.207 191 R C 1.753 178.048 176.300 -0.008 0.000 1.043 191 R CA 1.153 57.246 56.100 -0.010 0.000 1.006 191 R CB -0.468 29.841 30.300 0.015 0.000 0.885 191 R HN 0.355 nan 8.270 nan 0.000 0.467 192 E N 0.475 120.678 120.200 0.005 0.000 2.072 192 E HA -0.012 4.338 4.350 0.001 0.000 0.190 192 E C 2.037 178.609 176.600 -0.047 0.000 0.982 192 E CA 1.002 57.414 56.400 0.021 0.000 0.803 192 E CB -0.247 29.509 29.700 0.093 0.000 0.755 192 E HN 0.588 nan 8.360 nan 0.000 0.453 193 G N 1.435 110.145 108.800 -0.150 0.000 2.514 193 G HA2 -0.401 3.559 3.960 0.001 0.000 0.217 193 G HA3 -0.401 3.559 3.960 0.001 0.000 0.217 193 G C 1.401 176.100 174.900 -0.336 0.000 1.198 193 G CA 1.324 46.110 45.100 -0.523 0.000 0.780 193 G HN 0.232 nan 8.290 nan 0.000 0.565 194 N N 0.569 119.138 118.700 -0.218 0.000 2.094 194 N HA -0.131 4.609 4.740 0.001 0.000 0.191 194 N C 1.726 177.243 175.510 0.011 0.000 1.023 194 N CA 1.808 54.805 53.050 -0.089 0.000 0.857 194 N CB -0.128 38.360 38.487 0.001 0.000 1.013 194 N HN 0.217 nan 8.380 nan 0.000 0.426 195 D N -0.110 120.292 120.400 0.002 0.000 2.097 195 D HA -0.135 4.506 4.640 0.001 0.000 0.195 195 D C 1.873 178.165 176.300 -0.013 0.000 0.989 195 D CA 0.595 54.611 54.000 0.027 0.000 0.827 195 D CB -0.469 40.343 40.800 0.019 0.000 0.966 195 D HN 0.248 nan 8.370 nan 0.000 0.456 196 L N 0.149 121.326 121.223 -0.075 0.000 2.056 196 L HA -0.157 4.184 4.340 0.001 0.000 0.207 196 L C 2.151 178.978 176.870 -0.071 0.000 1.078 196 L CA 1.489 56.255 54.840 -0.124 0.000 0.749 196 L CB -1.058 40.843 42.059 -0.263 0.000 0.901 196 L HN 0.014 nan 8.230 nan 0.000 0.433 197 Y N 0.002 120.164 120.300 -0.231 0.000 2.145 197 Y HA -0.263 4.287 4.550 0.001 0.000 0.286 197 Y C 2.616 178.370 175.900 -0.243 0.000 1.145 197 Y CA 2.335 60.273 58.100 -0.271 0.000 1.148 197 Y CB -0.498 37.717 38.460 -0.409 0.000 0.981 197 Y HN 0.472 nan 8.280 nan 0.000 0.507 198 H N -1.374 117.641 119.070 -0.091 0.000 2.436 198 H HA -0.048 4.508 4.556 0.001 0.000 0.294 198 H C 2.037 177.285 175.328 -0.134 0.000 1.048 198 H CA 0.955 56.904 56.048 -0.166 0.000 1.353 198 H CB 0.066 29.783 29.762 -0.074 0.000 1.414 198 H HN 0.317 nan 8.280 nan 0.000 0.536 199 E N 1.443 121.648 120.200 0.007 0.000 2.070 199 E HA -0.212 4.139 4.350 0.001 0.000 0.197 199 E C 1.955 178.519 176.600 -0.059 0.000 1.004 199 E CA 1.692 58.076 56.400 -0.026 0.000 0.805 199 E CB -0.261 29.416 29.700 -0.039 0.000 0.744 199 E HN 0.452 nan 8.360 nan 0.000 0.451 200 M N -0.397 119.148 119.600 -0.092 0.000 2.229 200 M HA -0.047 4.433 4.480 0.001 0.000 0.264 200 M C 2.352 178.582 176.300 -0.116 0.000 1.063 200 M CA 1.187 56.429 55.300 -0.097 0.000 1.114 200 M CB -0.263 32.282 32.600 -0.091 0.000 1.387 200 M HN 0.160 nan 8.290 nan 0.000 0.420 201 I N -0.205 120.259 120.570 -0.176 0.000 2.252 201 I HA -0.235 3.936 4.170 0.001 0.000 0.245 201 I C 2.629 178.695 176.117 -0.085 0.000 1.102 201 I CA 1.040 62.242 61.300 -0.164 0.000 1.385 201 I CB -0.391 37.471 38.000 -0.230 0.000 1.064 201 I HN 0.275 nan 8.210 nan 0.000 0.414 202 E N 0.730 120.893 120.200 -0.061 0.000 2.077 202 E HA -0.204 4.147 4.350 0.001 0.000 0.193 202 E C 2.268 178.844 176.600 -0.039 0.000 0.989 202 E CA 1.846 58.221 56.400 -0.042 0.000 0.800 202 E CB -0.026 29.655 29.700 -0.031 0.000 0.746 202 E HN 0.497 nan 8.360 nan 0.000 0.452 203 S N -1.396 114.278 115.700 -0.042 0.000 2.558 203 S HA 0.137 4.607 4.470 0.001 0.000 0.217 203 S C 1.510 176.091 174.600 -0.031 0.000 0.975 203 S CA 0.824 59.004 58.200 -0.033 0.000 0.912 203 S CB 0.380 63.560 63.200 -0.033 0.000 0.776 203 S HN 0.301 nan 8.310 nan 0.000 0.526 204 G N 1.076 109.852 108.800 -0.040 0.000 2.153 204 G HA2 -0.333 3.627 3.960 0.001 0.000 0.252 204 G HA3 -0.333 3.627 3.960 0.001 0.000 0.252 204 G C 0.797 175.683 174.900 -0.023 0.000 0.994 204 G CA 0.714 45.794 45.100 -0.034 0.000 0.698 204 G HN 1.443 nan 8.290 nan 0.000 0.521 205 V N -2.350 117.549 119.914 -0.024 0.000 2.719 205 V HA 0.445 4.566 4.120 0.001 0.000 0.252 205 V C 1.345 177.436 176.094 -0.005 0.000 1.065 205 V CA 1.259 63.555 62.300 -0.006 0.000 1.086 205 V CB -0.057 31.765 31.823 -0.001 0.000 0.700 205 V HN 0.441 nan 8.190 nan 0.000 0.467 206 I N 2.232 122.781 120.570 -0.036 0.000 2.377 206 I HA 0.450 4.620 4.170 0.001 0.000 0.293 206 I C -0.444 175.639 176.117 -0.057 0.000 0.987 206 I CA -0.213 61.061 61.300 -0.044 0.000 1.185 206 I CB 1.471 39.419 38.000 -0.086 0.000 1.341 206 I HN 0.191 nan 8.210 nan 0.000 0.455 207 N N 6.506 125.187 118.700 -0.032 0.000 2.354 207 N HA 0.371 5.112 4.740 0.001 0.000 0.287 207 N C -0.046 175.452 175.510 -0.020 0.000 1.016 207 N CA -0.456 52.577 53.050 -0.029 0.000 0.871 207 N CB 2.166 40.645 38.487 -0.013 0.000 1.299 207 N HN 0.569 nan 8.380 nan 0.000 0.482 208 L N 2.641 123.850 121.223 -0.025 0.000 2.592 208 L HA 0.167 4.507 4.340 0.001 0.000 0.227 208 L C 1.368 178.241 176.870 0.004 0.000 1.127 208 L CA 0.431 55.268 54.840 -0.005 0.000 0.884 208 L CB 0.103 42.157 42.059 -0.008 0.000 1.065 208 L HN 0.417 nan 8.230 nan 0.000 0.457 209 K N -1.924 118.476 120.400 0.000 0.000 2.511 209 K HA 0.249 4.570 4.320 0.001 0.000 0.209 209 K C -0.060 176.543 176.600 0.004 0.000 1.301 209 K CA -0.178 56.111 56.287 0.003 0.000 0.967 209 K CB 0.975 33.475 32.500 0.001 0.000 1.109 209 K HN 0.032 nan 8.250 nan 0.000 0.561 210 D N 0.964 121.366 120.400 0.004 0.000 2.478 210 D HA 0.322 4.962 4.640 0.001 0.000 0.269 210 D C 0.254 176.560 176.300 0.010 0.000 1.232 210 D CA -0.166 53.838 54.000 0.007 0.000 1.059 210 D CB 1.253 42.056 40.800 0.006 0.000 1.104 210 D HN 0.065 nan 8.370 nan 0.000 0.566 211 A N -0.613 122.215 122.820 0.014 0.000 2.465 211 A HA 0.092 4.413 4.320 0.001 0.000 0.255 211 A C 1.140 178.739 177.584 0.026 0.000 1.274 211 A CA 0.098 52.146 52.037 0.017 0.000 0.920 211 A CB -0.417 18.595 19.000 0.021 0.000 1.033 211 A HN 0.464 nan 8.150 nan 0.000 0.516 212 T N -2.307 112.261 114.554 0.024 0.000 3.188 212 T HA 0.177 4.527 4.350 0.001 0.000 0.250 212 T C 0.640 175.363 174.700 0.039 0.000 1.077 212 T CA 0.232 62.353 62.100 0.035 0.000 0.967 212 T CB -0.439 68.442 68.868 0.023 0.000 1.006 212 T HN 0.122 nan 8.240 nan 0.000 0.552 213 S N 1.810 117.527 115.700 0.028 0.000 2.568 213 S HA 0.223 4.693 4.470 0.001 0.000 0.282 213 S C 1.018 175.651 174.600 0.055 0.000 1.338 213 S CA -0.471 57.745 58.200 0.027 0.000 1.045 213 S CB 0.718 63.926 63.200 0.013 0.000 0.873 213 S HN 0.310 nan 8.310 nan 0.000 0.516 214 K N 0.703 121.146 120.400 0.071 0.000 2.440 214 K HA 0.257 4.577 4.320 0.001 0.000 0.207 214 K C -0.613 176.058 176.600 0.118 0.000 1.112 214 K CA 0.275 56.648 56.287 0.143 0.000 1.036 214 K CB 0.907 33.478 32.500 0.118 0.000 0.935 214 K HN 0.405 nan 8.250 nan 0.000 0.564 215 V N 1.040 120.995 119.914 0.068 0.000 2.735 215 V HA 0.625 4.745 4.120 0.001 0.000 0.310 215 V C -0.723 175.415 176.094 0.074 0.000 1.061 215 V CA -1.367 60.984 62.300 0.085 0.000 0.913 215 V CB 1.811 33.696 31.823 0.104 0.000 1.005 215 V HN 0.101 nan 8.190 nan 0.000 0.428 216 A N 5.105 127.984 122.820 0.098 0.000 2.303 216 A HA 0.889 5.210 4.320 0.001 0.000 0.320 216 A C -0.836 176.837 177.584 0.150 0.000 1.192 216 A CA -0.509 51.599 52.037 0.119 0.000 0.821 216 A CB 0.666 19.757 19.000 0.152 0.000 1.188 216 A HN 0.813 nan 8.150 nan 0.000 0.492 217 L N 2.804 124.120 121.223 0.156 0.000 2.295 217 L HA 0.633 4.974 4.340 0.001 0.000 0.285 217 L C -0.723 176.232 176.870 0.141 0.000 1.035 217 L CA -0.889 54.066 54.840 0.192 0.000 0.806 217 L CB 1.595 43.844 42.059 0.316 0.000 1.214 217 L HN 0.387 nan 8.230 nan 0.000 0.426 218 V N 3.071 123.013 119.914 0.047 0.000 2.540 218 V HA 0.475 4.596 4.120 0.001 0.000 0.302 218 V C -1.125 174.904 176.094 -0.108 0.000 1.035 218 V CA -0.645 61.661 62.300 0.010 0.000 0.873 218 V CB 1.678 33.485 31.823 -0.028 0.000 0.992 218 V HN 0.466 nan 8.190 nan 0.000 0.428 219 Y N 1.538 121.864 120.300 0.044 0.000 2.421 219 Y HA 0.703 5.254 4.550 0.001 0.000 0.339 219 Y C 0.465 176.380 175.900 0.026 0.000 0.996 219 Y CA -0.591 57.539 58.100 0.049 0.000 1.046 219 Y CB 2.804 41.279 38.460 0.026 0.000 1.226 219 Y HN 0.719 nan 8.280 nan 0.000 0.445 220 G N 4.014 112.917 108.800 0.171 0.000 3.598 220 G HA2 0.302 4.262 3.960 0.001 0.000 0.320 220 G HA3 0.302 4.262 3.960 0.001 0.000 0.320 220 G C -0.928 174.041 174.900 0.115 0.000 1.560 220 G CA -0.531 44.637 45.100 0.112 0.000 0.904 220 G HN 0.314 nan 8.290 nan 0.000 0.489 221 Q N 0.934 120.817 119.800 0.140 0.000 2.272 221 Q HA 0.236 4.577 4.340 0.001 0.000 0.192 221 Q C 1.893 177.935 176.000 0.070 0.000 1.059 221 Q CA -0.659 55.220 55.803 0.126 0.000 1.084 221 Q CB 0.682 29.502 28.738 0.135 0.000 1.139 221 Q HN 0.719 nan 8.270 nan 0.000 0.593 222 M N -0.921 118.715 119.600 0.060 0.000 2.747 222 M HA 0.038 4.519 4.480 0.001 0.000 0.221 222 M C 0.349 176.664 176.300 0.025 0.000 1.107 222 M CA 1.056 56.377 55.300 0.035 0.000 1.031 222 M CB -0.739 31.880 32.600 0.031 0.000 1.727 222 M HN 0.520 nan 8.290 nan 0.000 0.517 223 N N -0.961 117.755 118.700 0.026 0.000 2.325 223 N HA 0.097 4.837 4.740 0.001 0.000 0.182 223 N C -0.249 175.270 175.510 0.015 0.000 1.088 223 N CA -0.398 52.663 53.050 0.017 0.000 0.879 223 N CB 0.208 38.703 38.487 0.014 0.000 0.983 223 N HN 0.258 nan 8.380 nan 0.000 0.471 224 E N 2.054 122.266 120.200 0.020 0.000 2.343 224 E HA 0.271 4.622 4.350 0.001 0.000 0.269 224 E C -2.140 174.465 176.600 0.009 0.000 1.047 224 E CA -1.987 54.424 56.400 0.017 0.000 0.874 224 E CB 0.758 30.474 29.700 0.027 0.000 1.033 224 E HN 0.201 nan 8.360 nan 0.000 0.409 225 P HA 0.123 nan 4.420 nan 0.000 0.274 225 P C -1.948 175.347 177.300 -0.008 0.000 1.256 225 P CA -1.206 61.893 63.100 -0.002 0.000 0.795 225 P CB 0.022 31.722 31.700 -0.000 0.000 1.038 226 P HA -0.206 nan 4.420 nan 0.000 0.215 226 P C 1.652 178.933 177.300 -0.032 0.000 1.157 226 P CA 2.108 65.187 63.100 -0.035 0.000 0.874 226 P CB -0.777 30.898 31.700 -0.043 0.000 0.790 227 G N 0.635 109.425 108.800 -0.017 0.000 2.513 227 G HA2 -0.311 3.649 3.960 0.001 0.000 0.219 227 G HA3 -0.311 3.649 3.960 0.001 0.000 0.219 227 G C 1.865 176.770 174.900 0.009 0.000 1.160 227 G CA 1.603 46.700 45.100 -0.004 0.000 0.767 227 G HN 0.404 nan 8.290 nan 0.000 0.571 228 A N 0.612 123.439 122.820 0.011 0.000 1.858 228 A HA -0.030 4.290 4.320 0.001 0.000 0.216 228 A C 2.447 180.045 177.584 0.023 0.000 1.190 228 A CA 1.798 53.848 52.037 0.020 0.000 0.617 228 A CB -0.482 18.531 19.000 0.022 0.000 0.827 228 A HN 0.355 nan 8.150 nan 0.000 0.443 229 R N -0.689 119.819 120.500 0.013 0.000 2.105 229 R HA -0.103 4.237 4.340 0.001 0.000 0.239 229 R C 2.304 178.621 176.300 0.027 0.000 1.135 229 R CA 1.168 57.276 56.100 0.014 0.000 0.967 229 R CB -0.420 29.873 30.300 -0.011 0.000 0.861 229 R HN 0.523 nan 8.270 nan 0.000 0.442 230 A N 0.491 123.306 122.820 -0.007 0.000 2.121 230 A HA -0.073 4.247 4.320 0.001 0.000 0.218 230 A C 1.767 179.431 177.584 0.134 0.000 1.154 230 A CA 1.000 53.019 52.037 -0.030 0.000 0.679 230 A CB 0.017 18.948 19.000 -0.114 0.000 0.795 230 A HN 0.106 nan 8.150 nan 0.000 0.458 231 R N -1.144 119.414 120.500 0.097 0.000 2.342 231 R HA 0.074 4.415 4.340 0.001 0.000 0.204 231 R C 1.887 178.208 176.300 0.035 0.000 0.882 231 R CA 1.193 57.342 56.100 0.081 0.000 1.041 231 R CB -0.703 29.625 30.300 0.047 0.000 1.188 231 R HN 0.444 nan 8.270 nan 0.000 0.598 232 V N 0.615 120.548 119.914 0.032 0.000 2.380 232 V HA -0.208 3.912 4.120 0.001 0.000 0.251 232 V C 2.506 178.576 176.094 -0.039 0.000 1.063 232 V CA 2.028 64.328 62.300 -0.001 0.000 1.055 232 V CB -1.350 30.478 31.823 0.008 0.000 0.657 232 V HN 0.173 nan 8.190 nan 0.000 0.455 233 A N 0.475 123.273 122.820 -0.037 0.000 1.978 233 A HA -0.090 4.231 4.320 0.001 0.000 0.220 233 A C 2.272 179.767 177.584 -0.149 0.000 1.170 233 A CA 2.049 54.011 52.037 -0.125 0.000 0.636 233 A CB -0.546 18.331 19.000 -0.205 0.000 0.810 233 A HN 0.550 nan 8.150 nan 0.000 0.448 234 L N -0.871 120.281 121.223 -0.119 0.000 2.056 234 L HA -0.152 4.189 4.340 0.001 0.000 0.207 234 L C 2.816 179.610 176.870 -0.127 0.000 1.078 234 L CA 1.871 56.622 54.840 -0.147 0.000 0.749 234 L CB -1.259 40.687 42.059 -0.189 0.000 0.901 234 L HN 0.382 nan 8.230 nan 0.000 0.433 235 T N -0.085 114.411 114.554 -0.097 0.000 2.622 235 T HA -0.163 4.188 4.350 0.001 0.000 0.266 235 T C 1.853 176.513 174.700 -0.065 0.000 1.047 235 T CA 1.518 63.575 62.100 -0.072 0.000 1.159 235 T CB -0.792 68.049 68.868 -0.044 0.000 0.863 235 T HN 0.533 nan 8.240 nan 0.000 0.422 236 G N 1.191 109.949 108.800 -0.069 0.000 2.469 236 G HA2 -0.196 3.765 3.960 0.001 0.000 0.219 236 G HA3 -0.196 3.765 3.960 0.001 0.000 0.219 236 G C 1.554 176.418 174.900 -0.059 0.000 1.150 236 G CA 0.836 45.899 45.100 -0.063 0.000 0.763 236 G HN 0.458 nan 8.290 nan 0.000 0.561 237 L N 0.359 121.526 121.223 -0.094 0.000 1.989 237 L HA -0.118 4.222 4.340 0.001 0.000 0.211 237 L C 3.112 179.947 176.870 -0.059 0.000 1.071 237 L CA 2.202 56.985 54.840 -0.095 0.000 0.749 237 L CB -0.593 41.384 42.059 -0.137 0.000 0.890 237 L HN 0.245 nan 8.230 nan 0.000 0.431 238 T N -0.712 113.802 114.554 -0.067 0.000 2.665 238 T HA -0.233 4.118 4.350 0.001 0.000 0.268 238 T C 1.889 176.565 174.700 -0.040 0.000 1.035 238 T CA 1.727 63.795 62.100 -0.053 0.000 1.151 238 T CB -0.512 68.316 68.868 -0.066 0.000 0.862 238 T HN 0.205 nan 8.240 nan 0.000 0.438 239 V N 1.630 121.519 119.914 -0.043 0.000 2.324 239 V HA -0.251 3.870 4.120 0.001 0.000 0.250 239 V C 2.817 178.946 176.094 0.059 0.000 1.060 239 V CA 1.888 64.162 62.300 -0.042 0.000 1.042 239 V CB -1.126 30.712 31.823 0.025 0.000 0.650 239 V HN 0.589 nan 8.190 nan 0.000 0.450 240 A N -1.021 121.865 122.820 0.110 0.000 1.968 240 A HA -0.171 4.150 4.320 0.001 0.000 0.217 240 A C 2.152 179.817 177.584 0.136 0.000 1.169 240 A CA 1.452 53.603 52.037 0.191 0.000 0.638 240 A CB -0.348 18.704 19.000 0.087 0.000 0.812 240 A HN 0.626 nan 8.150 nan 0.000 0.446 241 E N -1.369 118.859 120.200 0.047 0.000 2.031 241 E HA -0.213 4.138 4.350 0.001 0.000 0.193 241 E C 1.795 178.398 176.600 0.005 0.000 0.994 241 E CA 1.409 57.819 56.400 0.016 0.000 0.800 241 E CB -0.372 29.321 29.700 -0.011 0.000 0.752 241 E HN 0.750 nan 8.360 nan 0.000 0.447 242 Y N 0.777 120.985 120.300 -0.153 0.000 2.030 242 Y HA -0.348 4.202 4.550 0.001 0.000 0.272 242 Y C 1.959 177.756 175.900 -0.172 0.000 1.185 242 Y CA 2.083 60.035 58.100 -0.246 0.000 1.120 242 Y CB -0.553 37.622 38.460 -0.475 0.000 0.955 242 Y HN -0.002 nan 8.280 nan 0.000 0.495 243 F N -0.124 119.951 119.950 0.208 0.000 2.171 243 F HA -0.197 4.330 4.527 0.001 0.000 0.300 243 F C 2.778 178.601 175.800 0.038 0.000 1.090 243 F CA 1.545 59.646 58.000 0.169 0.000 1.293 243 F CB -0.425 38.735 39.000 0.267 0.000 1.013 243 F HN 0.011 nan 8.300 nan 0.000 0.486 244 R N 0.563 121.168 120.500 0.175 0.000 2.075 244 R HA -0.136 4.205 4.340 0.001 0.000 0.232 244 R C 1.448 177.745 176.300 -0.005 0.000 1.126 244 R CA 1.998 58.144 56.100 0.077 0.000 0.963 244 R CB -0.281 30.047 30.300 0.047 0.000 0.858 244 R HN 0.162 nan 8.270 nan 0.000 0.435 245 D N 0.662 121.019 120.400 -0.072 0.000 2.178 245 D HA -0.078 4.562 4.640 0.001 0.000 0.217 245 D C 1.186 177.376 176.300 -0.184 0.000 0.992 245 D CA 0.891 54.819 54.000 -0.118 0.000 0.895 245 D CB -0.361 40.361 40.800 -0.129 0.000 1.031 245 D HN 0.165 nan 8.370 nan 0.000 0.453 246 Q N 0.553 120.121 119.800 -0.385 0.000 2.319 246 Q HA 0.041 4.381 4.340 0.001 0.000 0.217 246 Q C 0.222 176.044 176.000 -0.298 0.000 0.924 246 Q CA 0.588 56.106 55.803 -0.474 0.000 0.964 246 Q CB 0.586 28.727 28.738 -0.996 0.000 1.025 246 Q HN 0.378 nan 8.270 nan 0.000 0.465 247 E N -1.131 118.995 120.200 -0.123 0.000 2.521 247 E HA 0.162 4.513 4.350 0.001 0.000 0.199 247 E C 0.673 177.279 176.600 0.010 0.000 1.006 247 E CA 0.682 57.089 56.400 0.012 0.000 1.630 247 E CB 0.275 30.072 29.700 0.161 0.000 2.725 247 E HN 0.294 nan 8.360 nan 0.000 1.103 248 G N 1.450 110.246 108.800 -0.007 0.000 2.143 248 G HA2 -0.304 3.657 3.960 0.001 0.000 0.248 248 G HA3 -0.304 3.657 3.960 0.001 0.000 0.248 248 G C 0.246 175.152 174.900 0.009 0.000 0.991 248 G CA 0.838 45.934 45.100 -0.006 0.000 0.689 248 G HN 0.199 nan 8.290 nan 0.000 0.522 249 Q N 0.112 119.935 119.800 0.037 0.000 2.171 249 Q HA 0.542 4.883 4.340 0.001 0.000 0.217 249 Q C -0.245 175.775 176.000 0.032 0.000 0.995 249 Q CA -0.652 55.164 55.803 0.021 0.000 0.979 249 Q CB 0.486 29.237 28.738 0.022 0.000 1.152 249 Q HN 0.186 nan 8.270 nan 0.000 0.525 250 D N 0.301 120.710 120.400 0.014 0.000 2.411 250 D HA 0.254 4.894 4.640 0.001 0.000 0.225 250 D C -1.065 175.350 176.300 0.190 0.000 1.156 250 D CA 0.018 54.079 54.000 0.101 0.000 0.874 250 D CB 0.410 41.286 40.800 0.127 0.000 1.034 250 D HN 0.080 nan 8.370 nan 0.000 0.502 251 V N 3.497 123.490 119.914 0.131 0.000 2.483 251 V HA 0.415 4.536 4.120 0.001 0.000 0.295 251 V C 0.347 176.439 176.094 -0.003 0.000 1.035 251 V CA -0.848 61.524 62.300 0.119 0.000 0.896 251 V CB 1.670 33.580 31.823 0.145 0.000 0.986 251 V HN 0.288 nan 8.190 nan 0.000 0.447 252 L N 5.187 126.383 121.223 -0.044 0.000 2.317 252 L HA 0.642 4.982 4.340 0.001 0.000 0.281 252 L C -0.761 176.000 176.870 -0.181 0.000 1.024 252 L CA -0.604 54.107 54.840 -0.215 0.000 0.810 252 L CB 1.606 43.529 42.059 -0.227 0.000 1.240 252 L HN 0.447 nan 8.230 nan 0.000 0.427 253 L N 3.546 124.537 121.223 -0.387 0.000 2.349 253 L HA 0.589 4.929 4.340 0.001 0.000 0.278 253 L C -1.375 175.152 176.870 -0.571 0.000 0.996 253 L CA 0.090 54.746 54.840 -0.305 0.000 0.825 253 L CB 1.181 43.118 42.059 -0.203 0.000 1.243 253 L HN 0.219 nan 8.230 nan 0.000 0.412 254 F N 6.073 125.890 119.950 -0.221 0.000 2.426 254 F HA 0.593 5.120 4.527 0.001 0.000 0.348 254 F C -0.029 175.359 175.800 -0.685 0.000 1.124 254 F CA -0.514 57.267 58.000 -0.365 0.000 1.008 254 F CB 1.222 40.082 39.000 -0.234 0.000 1.139 254 F HN 0.226 nan 8.300 nan 0.000 0.452 255 I N 2.785 123.105 120.570 -0.417 0.000 2.404 255 I HA 0.361 4.531 4.170 0.001 0.000 0.293 255 I C -1.101 174.789 176.117 -0.377 0.000 0.992 255 I CA -0.493 60.523 61.300 -0.474 0.000 1.149 255 I CB 1.878 39.691 38.000 -0.311 0.000 1.315 255 I HN 0.440 nan 8.210 nan 0.000 0.446 256 D N 6.047 126.216 120.400 -0.385 0.000 2.386 256 D HA 0.265 4.905 4.640 0.001 0.000 0.247 256 D C -1.388 174.916 176.300 0.007 0.000 1.336 256 D CA -0.335 53.614 54.000 -0.085 0.000 0.976 256 D CB 1.007 41.864 40.800 0.095 0.000 1.257 256 D HN 0.445 nan 8.370 nan 0.000 0.570 257 N N 4.284 123.000 118.700 0.028 0.000 2.310 257 N HA 0.177 4.918 4.740 0.001 0.000 0.292 257 N C 0.256 175.792 175.510 0.043 0.000 1.049 257 N CA -0.505 52.573 53.050 0.046 0.000 0.849 257 N CB 1.746 40.316 38.487 0.139 0.000 1.532 257 N HN 0.317 nan 8.380 nan 0.000 0.479 258 I N 3.816 124.387 120.570 0.001 0.000 2.546 258 I HA -0.046 4.125 4.170 0.001 0.000 0.255 258 I C 1.780 177.964 176.117 0.113 0.000 1.163 258 I CA 0.743 62.037 61.300 -0.010 0.000 1.457 258 I CB -0.570 37.356 38.000 -0.123 0.000 1.092 258 I HN 0.640 nan 8.210 nan 0.000 0.434 259 F N 1.695 121.662 119.950 0.029 0.000 2.154 259 F HA -0.254 4.273 4.527 0.001 0.000 0.301 259 F C 2.300 178.161 175.800 0.100 0.000 1.087 259 F CA 1.584 59.635 58.000 0.085 0.000 1.274 259 F CB -0.404 38.674 39.000 0.129 0.000 1.009 259 F HN -0.017 nan 8.300 nan 0.000 0.485 260 R N 0.012 120.476 120.500 -0.059 0.000 2.200 260 R HA -0.209 4.132 4.340 0.001 0.000 0.234 260 R C 2.184 178.389 176.300 -0.158 0.000 1.127 260 R CA 1.463 57.456 56.100 -0.179 0.000 0.989 260 R CB -1.649 28.652 30.300 0.001 0.000 0.869 260 R HN 0.537 nan 8.270 nan 0.000 0.459 261 F N 1.487 121.313 119.950 -0.206 0.000 2.146 261 F HA -0.143 4.385 4.527 0.001 0.000 0.298 261 F C 1.923 177.618 175.800 -0.175 0.000 1.096 261 F CA 1.551 59.458 58.000 -0.156 0.000 1.275 261 F CB -0.274 38.654 39.000 -0.121 0.000 1.008 261 F HN -0.156 nan 8.300 nan 0.000 0.480 262 T N 0.221 114.586 114.554 -0.315 0.000 2.812 262 T HA -0.188 4.163 4.350 0.001 0.000 0.264 262 T C 1.862 176.361 174.700 -0.335 0.000 1.042 262 T CA 1.351 63.216 62.100 -0.391 0.000 1.140 262 T CB -0.407 68.359 68.868 -0.169 0.000 0.870 262 T HN 0.429 nan 8.240 nan 0.000 0.445 263 Q N 0.983 120.477 119.800 -0.510 0.000 2.045 263 Q HA -0.182 4.158 4.340 0.001 0.000 0.206 263 Q C 2.503 178.361 176.000 -0.236 0.000 0.991 263 Q CA 1.810 57.381 55.803 -0.387 0.000 0.851 263 Q CB -0.383 27.950 28.738 -0.675 0.000 0.911 263 Q HN 0.516 nan 8.270 nan 0.000 0.418 264 A N 0.624 123.288 122.820 -0.260 0.000 1.873 264 A HA -0.204 4.117 4.320 0.001 0.000 0.218 264 A C 2.317 179.780 177.584 -0.202 0.000 1.193 264 A CA 2.015 53.938 52.037 -0.190 0.000 0.629 264 A CB -1.759 17.142 19.000 -0.166 0.000 0.826 264 A HN 0.657 nan 8.150 nan 0.000 0.447 265 G N -0.764 107.846 108.800 -0.318 0.000 2.574 265 G HA2 -0.357 3.603 3.960 0.001 0.000 0.220 265 G HA3 -0.357 3.603 3.960 0.001 0.000 0.220 265 G C 1.925 176.742 174.900 -0.139 0.000 1.173 265 G CA 1.946 46.871 45.100 -0.290 0.000 0.772 265 G HN 0.628 nan 8.290 nan 0.000 0.585 266 S N 0.515 116.168 115.700 -0.078 0.000 2.378 266 S HA -0.232 4.238 4.470 0.001 0.000 0.229 266 S C 2.279 176.849 174.600 -0.050 0.000 1.052 266 S CA 2.237 60.432 58.200 -0.009 0.000 1.084 266 S CB -0.427 62.786 63.200 0.022 0.000 0.950 266 S HN 0.640 nan 8.310 nan 0.000 0.440 267 E N -0.134 120.025 120.200 -0.069 0.000 2.204 267 E HA -0.101 4.249 4.350 0.001 0.000 0.195 267 E C 2.052 178.625 176.600 -0.046 0.000 0.990 267 E CA 1.432 57.797 56.400 -0.057 0.000 0.821 267 E CB -0.169 29.496 29.700 -0.059 0.000 0.750 267 E HN 0.653 nan 8.360 nan 0.000 0.477 268 V N -1.850 118.033 119.914 -0.051 0.000 3.471 268 V HA 0.069 4.190 4.120 0.001 0.000 0.258 268 V C 2.000 178.076 176.094 -0.030 0.000 1.192 268 V CA 1.220 63.497 62.300 -0.038 0.000 1.116 268 V CB 0.706 32.504 31.823 -0.041 0.000 0.792 268 V HN 0.095 nan 8.190 nan 0.000 0.459 269 S N 0.569 116.249 115.700 -0.033 0.000 2.423 269 S HA 0.014 4.484 4.470 0.001 0.000 0.231 269 S C 2.115 176.707 174.600 -0.013 0.000 1.014 269 S CA 1.593 59.781 58.200 -0.021 0.000 0.965 269 S CB -0.332 62.859 63.200 -0.014 0.000 0.785 269 S HN 0.988 nan 8.310 nan 0.000 0.495 270 A N 1.761 124.571 122.820 -0.017 0.000 1.855 270 A HA 0.069 4.389 4.320 0.001 0.000 0.215 270 A C 2.141 179.719 177.584 -0.010 0.000 1.191 270 A CA 1.400 53.428 52.037 -0.013 0.000 0.613 270 A CB -0.891 18.098 19.000 -0.019 0.000 0.829 270 A HN 0.559 nan 8.150 nan 0.000 0.442 271 L N -0.516 120.700 121.223 -0.012 0.000 2.079 271 L HA -0.166 4.174 4.340 0.001 0.000 0.210 271 L C 2.374 179.242 176.870 -0.004 0.000 1.081 271 L CA 0.913 55.749 54.840 -0.008 0.000 0.752 271 L CB -0.634 41.419 42.059 -0.009 0.000 0.896 271 L HN 0.345 nan 8.230 nan 0.000 0.433 272 L N 0.211 121.431 121.223 -0.005 0.000 2.450 272 L HA -0.079 4.262 4.340 0.001 0.000 0.224 272 L C 1.334 178.205 176.870 0.001 0.000 1.149 272 L CA 0.732 55.571 54.840 -0.002 0.000 0.816 272 L CB -0.845 41.210 42.059 -0.006 0.000 0.932 272 L HN 0.580 nan 8.230 nan 0.000 0.449 273 G N 0.710 109.510 108.800 0.000 0.000 2.256 273 G HA2 -0.291 3.669 3.960 0.001 0.000 0.272 273 G HA3 -0.291 3.669 3.960 0.001 0.000 0.272 273 G C 0.055 174.957 174.900 0.003 0.000 1.076 273 G CA -0.078 45.023 45.100 0.002 0.000 0.882 273 G HN 0.283 nan 8.290 nan 0.000 0.497 274 R N -0.957 119.544 120.500 0.003 0.000 2.500 274 R HA 0.642 4.982 4.340 0.001 0.000 0.275 274 R C 1.149 177.454 176.300 0.008 0.000 1.051 274 R CA -0.675 55.428 56.100 0.006 0.000 1.088 274 R CB 0.632 30.936 30.300 0.006 0.000 1.063 274 R HN 0.323 nan 8.270 nan 0.000 0.511 275 I N 5.204 125.781 120.570 0.011 0.000 2.517 275 I HA 0.111 4.282 4.170 0.001 0.000 0.285 275 I C -1.595 174.534 176.117 0.019 0.000 1.106 275 I CA -1.480 59.828 61.300 0.013 0.000 1.402 275 I CB 0.579 38.587 38.000 0.013 0.000 1.399 275 I HN 0.364 nan 8.210 nan 0.000 0.535 276 P HA 0.088 nan 4.420 nan 0.000 0.274 276 P C -0.278 177.047 177.300 0.041 0.000 1.231 276 P CA -0.271 62.846 63.100 0.029 0.000 0.790 276 P CB 1.446 33.156 31.700 0.017 0.000 0.951 277 S N 1.328 117.067 115.700 0.066 0.000 2.414 277 S HA 0.549 5.020 4.470 0.001 0.000 0.267 277 S C 0.193 174.849 174.600 0.093 0.000 1.165 277 S CA -0.236 58.010 58.200 0.077 0.000 1.028 277 S CB -0.244 63.010 63.200 0.091 0.000 1.154 277 S HN 0.613 nan 8.310 nan 0.000 0.472 278 A N 0.267 123.156 122.820 0.115 0.000 2.511 278 A HA 0.431 4.751 4.320 0.001 0.000 0.242 278 A C 0.949 178.637 177.584 0.175 0.000 1.069 278 A CA 0.312 52.424 52.037 0.125 0.000 0.763 278 A CB -0.824 18.250 19.000 0.124 0.000 1.001 278 A HN 1.641 nan 8.150 nan 0.000 0.498 279 V N 1.311 121.290 119.914 0.109 0.000 4.112 279 V HA -0.314 3.807 4.120 0.001 0.000 0.233 279 V C 1.795 177.852 176.094 -0.062 0.000 0.458 279 V CA 1.586 63.924 62.300 0.063 0.000 0.909 279 V CB -2.535 29.377 31.823 0.148 0.000 0.963 279 V HN 2.913 nan 8.190 nan 0.000 1.260 280 G N -2.549 106.235 108.800 -0.027 0.000 2.205 280 G HA2 -0.360 3.600 3.960 0.001 0.000 0.261 280 G HA3 -0.360 3.600 3.960 0.001 0.000 0.261 280 G C 0.028 174.887 174.900 -0.068 0.000 0.980 280 G CA 0.432 45.486 45.100 -0.077 0.000 0.632 280 G HN 0.855 nan 8.290 nan 0.000 0.533 281 Y N 1.805 122.120 120.300 0.025 0.000 2.279 281 Y HA 0.349 4.900 4.550 0.001 0.000 0.350 281 Y C 1.499 177.399 175.900 -0.000 0.000 1.288 281 Y CA 0.183 58.291 58.100 0.014 0.000 1.547 281 Y CB 0.335 38.815 38.460 0.033 0.000 1.381 281 Y HN 0.362 nan 8.280 nan 0.000 0.630 282 Q N 3.162 123.091 119.800 0.214 0.000 2.313 282 Q HA 0.095 4.436 4.340 0.001 0.000 0.266 282 Q C -2.394 173.652 176.000 0.077 0.000 0.989 282 Q CA -1.911 53.945 55.803 0.089 0.000 0.890 282 Q CB 1.002 29.760 28.738 0.034 0.000 1.200 282 Q HN 0.397 nan 8.270 nan 0.000 0.396 283 P HA -0.089 nan 4.420 nan 0.000 0.234 283 P C 0.766 178.086 177.300 0.033 0.000 1.167 283 P CA 1.080 64.208 63.100 0.046 0.000 0.763 283 P CB -0.020 31.701 31.700 0.035 0.000 0.835 284 T N -3.970 110.599 114.554 0.024 0.000 3.188 284 T HA 0.116 4.466 4.350 0.001 0.000 0.250 284 T C 1.587 176.300 174.700 0.022 0.000 1.077 284 T CA -0.309 61.803 62.100 0.020 0.000 0.967 284 T CB -0.946 67.927 68.868 0.009 0.000 1.006 284 T HN -0.042 nan 8.240 nan 0.000 0.552 285 L N 1.114 122.347 121.223 0.016 0.000 1.997 285 L HA -0.146 4.194 4.340 0.001 0.000 0.216 285 L C 2.786 179.682 176.870 0.043 0.000 1.074 285 L CA 2.185 57.023 54.840 -0.004 0.000 0.763 285 L CB -0.700 41.328 42.059 -0.053 0.000 0.890 285 L HN 0.400 nan 8.230 nan 0.000 0.434 286 A N -1.037 121.816 122.820 0.055 0.000 1.872 286 A HA -0.172 4.149 4.320 0.001 0.000 0.214 286 A C 2.336 179.990 177.584 0.116 0.000 1.187 286 A CA 1.978 54.071 52.037 0.094 0.000 0.614 286 A CB -1.136 17.908 19.000 0.072 0.000 0.826 286 A HN 0.630 nan 8.150 nan 0.000 0.442 287 T N -2.127 112.478 114.554 0.084 0.000 2.812 287 T HA -0.116 4.234 4.350 0.001 0.000 0.264 287 T C 1.384 176.141 174.700 0.094 0.000 1.042 287 T CA 1.366 63.514 62.100 0.081 0.000 1.140 287 T CB -0.511 68.390 68.868 0.054 0.000 0.870 287 T HN 0.299 nan 8.240 nan 0.000 0.445 288 D N 1.209 121.670 120.400 0.102 0.000 2.127 288 D HA -0.135 4.505 4.640 0.001 0.000 0.190 288 D C 1.990 178.448 176.300 0.263 0.000 1.000 288 D CA 1.454 55.552 54.000 0.163 0.000 0.839 288 D CB -0.508 40.349 40.800 0.095 0.000 0.955 288 D HN 0.366 nan 8.370 nan 0.000 0.446 289 M N 0.289 120.043 119.600 0.258 0.000 2.117 289 M HA -0.109 4.372 4.480 0.001 0.000 0.262 289 M C 2.084 178.350 176.300 -0.057 0.000 1.065 289 M CA 2.122 57.533 55.300 0.186 0.000 1.114 289 M CB -0.339 32.379 32.600 0.197 0.000 1.361 289 M HN 0.067 nan 8.290 nan 0.000 0.408 290 G N -0.321 108.512 108.800 0.055 0.000 2.446 290 G HA2 -0.288 3.673 3.960 0.001 0.000 0.217 290 G HA3 -0.288 3.673 3.960 0.001 0.000 0.217 290 G C 1.433 176.317 174.900 -0.026 0.000 1.168 290 G CA 1.689 46.818 45.100 0.049 0.000 0.771 290 G HN 0.614 nan 8.290 nan 0.000 0.551 291 T N -1.595 112.966 114.554 0.012 0.000 2.867 291 T HA -0.039 4.311 4.350 0.001 0.000 0.268 291 T C 2.241 176.914 174.700 -0.046 0.000 1.057 291 T CA 1.481 63.585 62.100 0.007 0.000 1.136 291 T CB -0.165 68.731 68.868 0.046 0.000 0.874 291 T HN 0.118 nan 8.240 nan 0.000 0.466 292 M N 0.844 120.385 119.600 -0.098 0.000 2.064 292 M HA -0.047 4.433 4.480 0.001 0.000 0.260 292 M C 2.377 178.500 176.300 -0.296 0.000 1.073 292 M CA 1.628 56.784 55.300 -0.240 0.000 1.124 292 M CB -0.790 31.510 32.600 -0.499 0.000 1.326 292 M HN 0.220 nan 8.290 nan 0.000 0.410 293 Q N 0.346 119.918 119.800 -0.381 0.000 2.124 293 Q HA -0.156 4.184 4.340 0.001 0.000 0.202 293 Q C 1.731 177.586 176.000 -0.241 0.000 0.977 293 Q CA 1.234 56.789 55.803 -0.414 0.000 0.850 293 Q CB -0.500 27.769 28.738 -0.781 0.000 0.901 293 Q HN 0.566 nan 8.270 nan 0.000 0.429 294 E N 0.510 120.614 120.200 -0.160 0.000 2.401 294 E HA -0.143 4.208 4.350 0.001 0.000 0.199 294 E C 1.740 178.302 176.600 -0.062 0.000 1.023 294 E CA 0.533 56.898 56.400 -0.058 0.000 0.859 294 E CB -0.063 29.636 29.700 -0.001 0.000 0.780 294 E HN 0.316 nan 8.360 nan 0.000 0.523 295 R N 0.017 120.461 120.500 -0.093 0.000 2.240 295 R HA 0.144 4.484 4.340 0.001 0.000 0.203 295 R C 0.939 177.183 176.300 -0.093 0.000 1.011 295 R CA 0.215 56.266 56.100 -0.081 0.000 1.007 295 R CB 0.222 30.470 30.300 -0.086 0.000 0.911 295 R HN 0.065 nan 8.270 nan 0.000 0.468 296 I N 1.534 122.030 120.570 -0.122 0.000 2.224 296 I HA 0.075 4.245 4.170 0.001 0.000 0.293 296 I C -0.122 175.933 176.117 -0.103 0.000 1.155 296 I CA 0.118 61.341 61.300 -0.129 0.000 1.297 296 I CB 0.751 38.645 38.000 -0.177 0.000 1.487 296 I HN -0.102 nan 8.210 nan 0.000 0.564 297 T N 2.490 116.997 114.554 -0.079 0.000 2.889 297 T HA 0.266 4.617 4.350 0.001 0.000 0.315 297 T C -0.292 174.376 174.700 -0.054 0.000 1.291 297 T CA -0.316 61.747 62.100 -0.063 0.000 1.028 297 T CB 1.657 70.496 68.868 -0.049 0.000 1.235 297 T HN 0.237 nan 8.240 nan 0.000 0.491 298 T N 3.697 118.220 114.554 -0.051 0.000 2.901 298 T HA 0.522 4.873 4.350 0.001 0.000 0.301 298 T C 0.435 175.107 174.700 -0.047 0.000 1.012 298 T CA -0.077 61.997 62.100 -0.044 0.000 1.135 298 T CB 0.439 69.282 68.868 -0.041 0.000 0.936 298 T HN 0.835 nan 8.240 nan 0.000 0.539 299 T N 0.320 114.848 114.554 -0.043 0.000 2.926 299 T HA 0.465 4.815 4.350 0.001 0.000 0.289 299 T C 1.078 175.749 174.700 -0.047 0.000 1.054 299 T CA -1.174 60.896 62.100 -0.050 0.000 1.015 299 T CB 1.501 70.342 68.868 -0.045 0.000 1.167 299 T HN 0.401 nan 8.240 nan 0.000 0.526 300 K N -0.005 120.362 120.400 -0.055 0.000 2.286 300 K HA -0.111 4.210 4.320 0.001 0.000 0.203 300 K C 1.968 178.547 176.600 -0.036 0.000 1.045 300 K CA 1.226 57.485 56.287 -0.047 0.000 0.935 300 K CB -0.107 32.363 32.500 -0.050 0.000 0.737 300 K HN 0.516 nan 8.250 nan 0.000 0.460 301 K N -0.123 120.256 120.400 -0.035 0.000 2.418 301 K HA 0.003 4.324 4.320 0.001 0.000 0.195 301 K C 0.102 176.687 176.600 -0.025 0.000 1.035 301 K CA 0.424 56.692 56.287 -0.031 0.000 1.003 301 K CB 0.521 33.000 32.500 -0.036 0.000 0.793 301 K HN 0.245 nan 8.250 nan 0.000 0.494 302 G N -0.643 108.145 108.800 -0.021 0.000 2.384 302 G HA2 0.059 4.019 3.960 0.001 0.000 0.300 302 G HA3 0.059 4.019 3.960 0.001 0.000 0.300 302 G C -1.715 173.180 174.900 -0.009 0.000 1.582 302 G CA -0.763 44.331 45.100 -0.009 0.000 0.875 302 G HN -0.055 nan 8.290 nan 0.000 0.628 303 S N -0.068 115.632 115.700 0.000 0.000 2.480 303 S HA 0.768 5.239 4.470 0.001 0.000 0.286 303 S C 0.009 174.606 174.600 -0.004 0.000 1.180 303 S CA -0.659 57.537 58.200 -0.006 0.000 1.075 303 S CB 0.416 63.615 63.200 -0.000 0.000 0.996 303 S HN 0.545 nan 8.310 nan 0.000 0.487 304 I N 4.039 124.590 120.570 -0.032 0.000 2.389 304 I HA 0.248 4.418 4.170 0.001 0.000 0.288 304 I C -0.260 175.794 176.117 -0.105 0.000 0.999 304 I CA -0.508 60.758 61.300 -0.058 0.000 1.129 304 I CB 2.218 40.180 38.000 -0.063 0.000 1.288 304 I HN 0.530 nan 8.210 nan 0.000 0.444 305 T N 4.318 118.781 114.554 -0.151 0.000 2.811 305 T HA 0.213 4.563 4.350 0.001 0.000 0.309 305 T C 0.188 174.692 174.700 -0.327 0.000 1.005 305 T CA -0.546 61.430 62.100 -0.208 0.000 0.955 305 T CB 0.232 68.977 68.868 -0.205 0.000 0.970 305 T HN 0.658 nan 8.240 nan 0.000 0.496 306 S N 2.337 117.858 115.700 -0.300 0.000 2.480 306 S HA 0.630 5.101 4.470 0.001 0.000 0.286 306 S C -0.277 174.076 174.600 -0.412 0.000 1.180 306 S CA -0.764 57.218 58.200 -0.364 0.000 1.075 306 S CB 1.118 64.160 63.200 -0.264 0.000 0.996 306 S HN 0.343 nan 8.310 nan 0.000 0.487 307 V N 4.227 123.834 119.914 -0.512 0.000 2.349 307 V HA 0.378 4.499 4.120 0.001 0.000 0.284 307 V C -0.571 175.355 176.094 -0.280 0.000 1.014 307 V CA -0.557 61.505 62.300 -0.397 0.000 0.826 307 V CB 0.913 32.528 31.823 -0.346 0.000 1.009 307 V HN 0.967 nan 8.190 nan 0.000 0.431 308 Q N 3.365 123.013 119.800 -0.254 0.000 2.322 308 Q HA 0.765 5.105 4.340 0.001 0.000 0.265 308 Q C -0.086 175.793 176.000 -0.202 0.000 0.985 308 Q CA -0.564 55.103 55.803 -0.227 0.000 0.849 308 Q CB 2.496 31.088 28.738 -0.244 0.000 1.274 308 Q HN 0.801 nan 8.270 nan 0.000 0.449 309 A N 3.671 126.409 122.820 -0.137 0.000 2.409 309 A HA 0.467 4.788 4.320 0.001 0.000 0.262 309 A C -0.381 177.128 177.584 -0.126 0.000 1.113 309 A CA -0.216 51.761 52.037 -0.100 0.000 0.790 309 A CB -0.028 18.973 19.000 0.001 0.000 1.046 309 A HN 0.755 nan 8.150 nan 0.000 0.496 310 I N 2.803 123.238 120.570 -0.225 0.000 2.411 310 I HA 0.188 4.359 4.170 0.001 0.000 0.284 310 I C -0.612 175.436 176.117 -0.115 0.000 1.012 310 I CA -0.341 60.805 61.300 -0.257 0.000 1.119 310 I CB 1.214 38.748 38.000 -0.777 0.000 1.261 310 I HN 0.742 nan 8.210 nan 0.000 0.448 311 Y N 6.830 127.063 120.300 -0.112 0.000 2.319 311 Y HA 0.485 5.035 4.550 0.001 0.000 0.328 311 Y C -0.333 175.301 175.900 -0.443 0.000 1.133 311 Y CA -0.349 57.602 58.100 -0.248 0.000 1.265 311 Y CB 1.045 39.345 38.460 -0.267 0.000 1.218 311 Y HN 0.260 nan 8.280 nan 0.000 0.508 312 V N 8.660 128.199 119.914 -0.626 0.000 2.311 312 V HA 0.300 4.421 4.120 0.001 0.000 0.275 312 V C -2.272 173.550 176.094 -0.452 0.000 1.022 312 V CA -2.109 59.967 62.300 -0.375 0.000 0.830 312 V CB 0.705 32.417 31.823 -0.186 0.000 1.012 312 V HN 0.694 nan 8.190 nan 0.000 0.452 313 P HA 0.238 nan 4.420 nan 0.000 0.271 313 P C 0.604 177.915 177.300 0.018 0.000 1.216 313 P CA 0.397 63.528 63.100 0.050 0.000 0.776 313 P CB 0.959 32.763 31.700 0.173 0.000 0.881 314 A N 2.905 125.748 122.820 0.039 0.000 2.790 314 A HA -0.272 4.048 4.320 0.001 0.000 0.277 314 A C 0.798 178.374 177.584 -0.013 0.000 1.435 314 A CA 1.421 53.473 52.037 0.025 0.000 0.877 314 A CB -2.708 16.322 19.000 0.051 0.000 1.007 314 A HN 0.599 nan 8.150 nan 0.000 0.613 315 D N -2.025 118.333 120.400 -0.070 0.000 3.012 315 D HA -0.171 4.469 4.640 0.001 0.000 0.222 315 D C -0.275 176.011 176.300 -0.023 0.000 1.167 315 D CA 2.117 56.076 54.000 -0.069 0.000 0.854 315 D CB -1.062 39.709 40.800 -0.048 0.000 1.107 315 D HN 0.956 nan 8.370 nan 0.000 0.421 316 D N 0.086 120.487 120.400 0.002 0.000 2.428 316 D HA 0.244 4.885 4.640 0.001 0.000 0.221 316 D C 1.270 177.610 176.300 0.067 0.000 1.123 316 D CA -0.386 53.636 54.000 0.037 0.000 0.869 316 D CB 0.357 41.192 40.800 0.058 0.000 1.032 316 D HN 0.124 nan 8.370 nan 0.000 0.506 317 L N 2.646 123.910 121.223 0.068 0.000 2.551 317 L HA -0.017 4.323 4.340 0.001 0.000 0.228 317 L C 2.128 179.081 176.870 0.139 0.000 1.153 317 L CA 1.020 55.937 54.840 0.127 0.000 0.851 317 L CB -0.344 41.775 42.059 0.100 0.000 0.959 317 L HN 0.500 nan 8.230 nan 0.000 0.451 318 T N -5.005 109.602 114.554 0.089 0.000 3.107 318 T HA -0.025 4.325 4.350 0.001 0.000 0.249 318 T C 0.531 175.301 174.700 0.117 0.000 1.096 318 T CA -0.403 61.746 62.100 0.082 0.000 1.012 318 T CB -0.341 68.553 68.868 0.043 0.000 0.977 318 T HN 0.168 nan 8.240 nan 0.000 0.527 319 D N 2.428 122.916 120.400 0.147 0.000 2.455 319 D HA 0.165 4.806 4.640 0.001 0.000 0.241 319 D C -1.316 175.084 176.300 0.167 0.000 1.138 319 D CA -1.782 52.336 54.000 0.197 0.000 0.877 319 D CB 1.221 42.166 40.800 0.240 0.000 1.187 319 D HN -0.051 nan 8.370 nan 0.000 0.451 320 P HA -0.273 nan 4.420 nan 0.000 0.218 320 P C 0.729 177.980 177.300 -0.082 0.000 1.154 320 P CA 1.909 64.994 63.100 -0.025 0.000 0.872 320 P CB 0.011 31.616 31.700 -0.158 0.000 0.790 321 A N 0.199 122.936 122.820 -0.138 0.000 1.834 321 A HA -0.141 4.180 4.320 0.001 0.000 0.216 321 A C -0.001 177.683 177.584 0.167 0.000 1.203 321 A CA 2.577 54.624 52.037 0.016 0.000 0.621 321 A CB -2.277 16.915 19.000 0.320 0.000 0.841 321 A HN 0.216 nan 8.150 nan 0.000 0.446 322 P HA -0.100 nan 4.420 nan 0.000 0.217 322 P C 1.592 179.067 177.300 0.291 0.000 1.150 322 P CA 1.947 65.205 63.100 0.263 0.000 0.832 322 P CB -0.236 31.645 31.700 0.302 0.000 0.787 323 A N 0.030 123.027 122.820 0.296 0.000 1.908 323 A HA -0.177 4.144 4.320 0.001 0.000 0.218 323 A C 2.321 180.095 177.584 0.317 0.000 1.181 323 A CA 2.615 54.862 52.037 0.349 0.000 0.627 323 A CB -1.934 17.179 19.000 0.189 0.000 0.818 323 A HN 0.212 nan 8.150 nan 0.000 0.445 324 T N -0.532 114.141 114.554 0.197 0.000 2.942 324 T HA -0.061 4.289 4.350 0.001 0.000 0.265 324 T C 1.953 176.764 174.700 0.184 0.000 1.062 324 T CA 1.617 63.806 62.100 0.150 0.000 1.139 324 T CB -0.414 68.520 68.868 0.110 0.000 0.883 324 T HN 0.572 nan 8.240 nan 0.000 0.468 325 T N 1.964 116.647 114.554 0.215 0.000 2.720 325 T HA -0.066 4.284 4.350 0.001 0.000 0.268 325 T C 1.540 176.370 174.700 0.217 0.000 1.037 325 T CA 1.048 63.276 62.100 0.214 0.000 1.144 325 T CB -0.658 68.254 68.868 0.074 0.000 0.864 325 T HN 0.348 nan 8.240 nan 0.000 0.444 326 F N 1.819 121.936 119.950 0.279 0.000 2.141 326 F HA -0.210 4.318 4.527 0.001 0.000 0.300 326 F C 2.609 178.447 175.800 0.064 0.000 1.079 326 F CA 1.104 59.215 58.000 0.186 0.000 1.264 326 F CB -0.502 38.507 39.000 0.016 0.000 1.011 326 F HN 0.163 nan 8.300 nan 0.000 0.487 327 A N -1.792 121.099 122.820 0.119 0.000 2.209 327 A HA -0.106 4.214 4.320 0.001 0.000 0.212 327 A C 1.434 178.930 177.584 -0.146 0.000 1.158 327 A CA 0.890 52.892 52.037 -0.058 0.000 0.742 327 A CB -0.788 18.109 19.000 -0.172 0.000 0.790 327 A HN 0.433 nan 8.150 nan 0.000 0.472 328 H N -0.958 118.166 119.070 0.090 0.000 2.551 328 H HA 0.356 4.913 4.556 0.001 0.000 0.271 328 H C -0.087 175.252 175.328 0.019 0.000 0.984 328 H CA 0.186 56.255 56.048 0.035 0.000 1.164 328 H CB 0.067 29.828 29.762 -0.002 0.000 1.437 328 H HN 0.349 nan 8.280 nan 0.000 0.550 329 L N 0.014 121.320 121.223 0.137 0.000 2.322 329 L HA 0.253 4.593 4.340 0.001 0.000 0.269 329 L C 0.832 177.750 176.870 0.080 0.000 1.012 329 L CA -0.605 54.292 54.840 0.095 0.000 0.815 329 L CB 1.820 43.955 42.059 0.127 0.000 1.295 329 L HN -0.131 nan 8.230 nan 0.000 0.438 330 D N 0.526 120.956 120.400 0.050 0.000 2.388 330 D HA 0.240 4.881 4.640 0.001 0.000 0.208 330 D C 0.108 176.459 176.300 0.085 0.000 1.035 330 D CA 0.497 54.529 54.000 0.054 0.000 0.875 330 D CB 1.247 42.064 40.800 0.029 0.000 0.984 330 D HN 0.494 nan 8.370 nan 0.000 0.508 331 A N 0.752 123.630 122.820 0.097 0.000 2.488 331 A HA 0.545 4.865 4.320 0.001 0.000 0.298 331 A C -0.214 177.483 177.584 0.187 0.000 1.044 331 A CA -0.622 51.517 52.037 0.169 0.000 0.693 331 A CB 1.494 20.670 19.000 0.292 0.000 1.272 331 A HN -0.022 nan 8.150 nan 0.000 0.402 332 T N -0.947 113.754 114.554 0.245 0.000 2.945 332 T HA 0.800 5.150 4.350 0.001 0.000 0.286 332 T C -0.347 174.541 174.700 0.314 0.000 1.025 332 T CA -0.532 61.757 62.100 0.315 0.000 1.039 332 T CB 1.627 70.715 68.868 0.366 0.000 1.068 332 T HN 0.596 nan 8.240 nan 0.000 0.497 333 T N 1.991 116.751 114.554 0.344 0.000 3.008 333 T HA 0.439 4.790 4.350 0.001 0.000 0.328 333 T C -0.657 174.225 174.700 0.303 0.000 1.020 333 T CA -0.562 61.714 62.100 0.293 0.000 1.043 333 T CB 0.820 69.882 68.868 0.323 0.000 1.010 333 T HN 0.625 nan 8.240 nan 0.000 0.466 334 V N 5.473 125.525 119.914 0.231 0.000 2.333 334 V HA 0.400 4.520 4.120 0.001 0.000 0.274 334 V C 0.239 176.415 176.094 0.136 0.000 1.028 334 V CA -0.718 61.704 62.300 0.203 0.000 0.851 334 V CB 0.657 32.537 31.823 0.094 0.000 1.000 334 V HN 0.732 nan 8.190 nan 0.000 0.456 335 L N 3.669 124.976 121.223 0.141 0.000 2.421 335 L HA 0.603 4.944 4.340 0.001 0.000 0.263 335 L C 0.466 177.364 176.870 0.046 0.000 1.122 335 L CA 0.033 54.926 54.840 0.089 0.000 0.804 335 L CB 1.603 43.720 42.059 0.098 0.000 1.150 335 L HN 0.664 nan 8.230 nan 0.000 0.457 336 S N 1.231 116.938 115.700 0.012 0.000 2.707 336 S HA 0.295 4.765 4.470 0.001 0.000 0.303 336 S C 0.612 175.192 174.600 -0.033 0.000 1.132 336 S CA -0.818 57.374 58.200 -0.013 0.000 1.046 336 S CB 1.529 64.717 63.200 -0.021 0.000 1.004 336 S HN 0.720 nan 8.310 nan 0.000 0.483 337 R N 3.716 124.198 120.500 -0.030 0.000 2.096 337 R HA -0.135 4.206 4.340 0.001 0.000 0.240 337 R C 2.196 178.470 176.300 -0.044 0.000 1.139 337 R CA 2.133 58.215 56.100 -0.031 0.000 0.952 337 R CB -0.845 29.439 30.300 -0.025 0.000 0.854 337 R HN 0.827 nan 8.270 nan 0.000 0.436 338 A N 1.227 124.021 122.820 -0.042 0.000 1.903 338 A HA -0.216 4.105 4.320 0.001 0.000 0.219 338 A C 2.200 179.745 177.584 -0.066 0.000 1.191 338 A CA 1.903 53.913 52.037 -0.046 0.000 0.638 338 A CB -0.642 18.333 19.000 -0.042 0.000 0.823 338 A HN 0.427 nan 8.150 nan 0.000 0.451 339 I N -0.734 119.789 120.570 -0.078 0.000 2.286 339 I HA -0.225 3.945 4.170 0.001 0.000 0.245 339 I C 2.973 178.968 176.117 -0.202 0.000 1.104 339 I CA 0.982 62.219 61.300 -0.105 0.000 1.397 339 I CB -0.515 37.436 38.000 -0.082 0.000 1.072 339 I HN 0.386 nan 8.210 nan 0.000 0.417 340 A N 0.594 123.269 122.820 -0.242 0.000 1.933 340 A HA -0.213 4.107 4.320 0.001 0.000 0.218 340 A C 2.137 179.545 177.584 -0.293 0.000 1.175 340 A CA 1.555 53.323 52.037 -0.449 0.000 0.628 340 A CB -0.541 18.337 19.000 -0.202 0.000 0.814 340 A HN 0.442 nan 8.150 nan 0.000 0.444 341 E N -0.556 119.571 120.200 -0.121 0.000 2.347 341 E HA 0.009 4.359 4.350 0.001 0.000 0.196 341 E C 1.350 177.918 176.600 -0.052 0.000 1.008 341 E CA 0.314 56.686 56.400 -0.046 0.000 0.852 341 E CB -0.121 29.566 29.700 -0.023 0.000 0.783 341 E HN 0.607 nan 8.360 nan 0.000 0.505 342 L N -0.677 120.492 121.223 -0.091 0.000 2.558 342 L HA 0.111 4.452 4.340 0.001 0.000 0.225 342 L C 1.452 178.268 176.870 -0.089 0.000 1.128 342 L CA 0.455 55.248 54.840 -0.078 0.000 0.868 342 L CB 0.256 42.274 42.059 -0.068 0.000 1.006 342 L HN 0.301 nan 8.230 nan 0.000 0.454 343 G N 0.040 108.778 108.800 -0.103 0.000 2.194 343 G HA2 -0.221 3.739 3.960 0.001 0.000 0.236 343 G HA3 -0.221 3.739 3.960 0.001 0.000 0.236 343 G C 0.313 175.274 174.900 0.100 0.000 0.987 343 G CA -0.427 44.696 45.100 0.040 0.000 0.635 343 G HN 0.109 nan 8.290 nan 0.000 0.520 344 I N 1.635 122.149 120.570 -0.093 0.000 2.494 344 I HA 0.384 4.554 4.170 0.001 0.000 0.289 344 I C 0.032 175.952 176.117 -0.328 0.000 1.106 344 I CA -0.278 60.997 61.300 -0.043 0.000 1.369 344 I CB -1.127 36.852 38.000 -0.036 0.000 1.410 344 I HN 0.116 nan 8.210 nan 0.000 0.523 345 Y N 7.082 127.375 120.300 -0.011 0.000 2.462 345 Y HA 0.422 4.972 4.550 0.001 0.000 0.346 345 Y C -2.083 173.643 175.900 -0.289 0.000 0.976 345 Y CA -2.483 55.539 58.100 -0.130 0.000 1.044 345 Y CB 2.137 40.504 38.460 -0.154 0.000 1.230 345 Y HN 0.419 nan 8.280 nan 0.000 0.455 346 P HA 0.063 nan 4.420 nan 0.000 0.271 346 P C -0.445 176.880 177.300 0.042 0.000 1.218 346 P CA -0.120 63.006 63.100 0.043 0.000 0.780 346 P CB 1.062 32.855 31.700 0.156 0.000 0.901 347 A N 3.512 126.361 122.820 0.047 0.000 3.019 347 A HA 0.223 4.543 4.320 0.001 0.000 0.262 347 A C 0.492 178.076 177.584 0.001 0.000 1.509 347 A CA -0.363 51.633 52.037 -0.069 0.000 1.159 347 A CB -1.140 17.773 19.000 -0.145 0.000 1.042 347 A HN 0.371 nan 8.150 nan 0.000 0.641 348 V N 1.220 121.154 119.914 0.034 0.000 2.585 348 V HA 0.005 4.125 4.120 0.001 0.000 0.296 348 V C 0.515 176.623 176.094 0.023 0.000 1.035 348 V CA -0.323 62.008 62.300 0.051 0.000 1.084 348 V CB 0.804 32.666 31.823 0.064 0.000 0.953 348 V HN 0.599 nan 8.190 nan 0.000 0.483 349 D N 7.080 127.496 120.400 0.027 0.000 2.325 349 D HA 0.191 4.831 4.640 0.001 0.000 0.251 349 D C -1.649 174.654 176.300 0.004 0.000 1.196 349 D CA -1.908 52.096 54.000 0.007 0.000 0.866 349 D CB 2.011 42.813 40.800 0.002 0.000 1.101 349 D HN 0.253 nan 8.370 nan 0.000 0.476 350 P HA 0.034 nan 4.420 nan 0.000 0.225 350 P C 0.936 178.216 177.300 -0.032 0.000 1.156 350 P CA 0.609 63.693 63.100 -0.027 0.000 0.787 350 P CB 0.311 31.988 31.700 -0.038 0.000 0.802 351 L N -1.193 120.012 121.223 -0.030 0.000 2.818 351 L HA 0.272 4.613 4.340 0.001 0.000 0.243 351 L C 0.933 177.775 176.870 -0.046 0.000 1.185 351 L CA 0.374 55.190 54.840 -0.040 0.000 0.988 351 L CB 0.010 42.044 42.059 -0.042 0.000 1.292 351 L HN -0.141 nan 8.230 nan 0.000 0.519 352 D N -1.422 118.957 120.400 -0.035 0.000 2.497 352 D HA 0.086 4.726 4.640 0.001 0.000 0.256 352 D C 0.089 176.382 176.300 -0.012 0.000 1.273 352 D CA 0.235 54.207 54.000 -0.047 0.000 0.812 352 D CB 0.874 41.644 40.800 -0.050 0.000 1.190 352 D HN -0.085 nan 8.370 nan 0.000 0.524 353 S N 0.154 115.865 115.700 0.019 0.000 2.462 353 S HA 0.644 5.114 4.470 0.001 0.000 0.294 353 S C 0.126 174.755 174.600 0.048 0.000 1.144 353 S CA -0.518 57.722 58.200 0.067 0.000 1.088 353 S CB 1.706 64.957 63.200 0.085 0.000 1.009 353 S HN 0.290 nan 8.310 nan 0.000 0.484 354 T N -0.761 113.838 114.554 0.076 0.000 2.864 354 T HA 0.828 5.179 4.350 0.001 0.000 0.289 354 T C -0.651 174.103 174.700 0.090 0.000 1.082 354 T CA -0.904 61.229 62.100 0.055 0.000 1.009 354 T CB 1.851 70.737 68.868 0.029 0.000 1.234 354 T HN 0.462 nan 8.240 nan 0.000 0.526 355 S N -1.115 114.627 115.700 0.070 0.000 2.566 355 S HA 0.394 4.864 4.470 0.001 0.000 0.273 355 S C 0.281 174.917 174.600 0.061 0.000 1.157 355 S CA -0.833 57.417 58.200 0.083 0.000 0.938 355 S CB 1.584 64.834 63.200 0.083 0.000 1.087 355 S HN 0.768 nan 8.310 nan 0.000 0.474 356 R N 2.446 122.983 120.500 0.062 0.000 2.307 356 R HA 0.161 4.502 4.340 0.001 0.000 0.199 356 R C 1.381 177.703 176.300 0.036 0.000 1.000 356 R CA 1.262 57.389 56.100 0.046 0.000 1.023 356 R CB -0.422 29.904 30.300 0.043 0.000 0.908 356 R HN 0.792 nan 8.270 nan 0.000 0.473 357 I N -3.090 117.502 120.570 0.036 0.000 3.904 357 I HA 0.238 4.409 4.170 0.001 0.000 0.333 357 I C 0.423 176.544 176.117 0.007 0.000 1.361 357 I CA -0.415 60.896 61.300 0.018 0.000 1.116 357 I CB 0.301 38.311 38.000 0.017 0.000 1.028 357 I HN -0.098 nan 8.210 nan 0.000 0.398 358 M N 3.298 122.916 119.600 0.030 0.000 3.442 358 M HA 0.302 4.782 4.480 0.001 0.000 0.232 358 M C -0.880 175.527 176.300 0.177 0.000 1.508 358 M CA -0.313 55.023 55.300 0.059 0.000 1.647 358 M CB -1.497 31.124 32.600 0.036 0.000 1.126 358 M HN 0.321 nan 8.290 nan 0.000 0.557 359 D N 3.924 124.384 120.400 0.100 0.000 2.970 359 D HA 0.391 5.032 4.640 0.001 0.000 0.230 359 D C -2.477 173.747 176.300 -0.127 0.000 1.276 359 D CA -1.470 52.509 54.000 -0.036 0.000 0.910 359 D CB 2.411 43.186 40.800 -0.041 0.000 1.590 359 D HN 0.154 nan 8.370 nan 0.000 0.551 360 P HA -0.047 nan 4.420 nan 0.000 0.228 360 P C 0.517 177.740 177.300 -0.129 0.000 1.151 360 P CA 0.498 63.436 63.100 -0.270 0.000 0.770 360 P CB 0.489 31.895 31.700 -0.490 0.000 0.786 361 N N -0.651 117.975 118.700 -0.124 0.000 2.412 361 N HA 0.099 4.839 4.740 0.001 0.000 0.184 361 N C 1.640 177.126 175.510 -0.039 0.000 1.101 361 N CA 0.484 53.493 53.050 -0.069 0.000 0.881 361 N CB 0.072 38.519 38.487 -0.068 0.000 0.969 361 N HN 0.323 nan 8.380 nan 0.000 0.459 362 I N -0.674 119.873 120.570 -0.038 0.000 3.443 362 I HA -0.019 4.151 4.170 0.001 0.000 0.277 362 I C 1.758 177.870 176.117 -0.008 0.000 1.169 362 I CA 0.305 61.594 61.300 -0.018 0.000 1.419 362 I CB 0.073 38.063 38.000 -0.017 0.000 1.331 362 I HN -0.126 nan 8.210 nan 0.000 0.458 363 V N -0.746 119.151 119.914 -0.027 0.000 3.649 363 V HA 0.547 4.667 4.120 0.001 0.000 0.275 363 V C 0.836 176.969 176.094 0.065 0.000 1.281 363 V CA 0.208 62.495 62.300 -0.021 0.000 1.143 363 V CB -1.052 30.602 31.823 -0.282 0.000 0.892 363 V HN 0.504 nan 8.190 nan 0.000 0.441 364 G N 0.973 109.798 108.800 0.042 0.000 2.716 364 G HA2 -0.155 3.806 3.960 0.001 0.000 0.686 364 G HA3 -0.155 3.806 3.960 0.001 0.000 0.686 364 G C 0.499 175.456 174.900 0.095 0.000 1.337 364 G CA 0.397 45.535 45.100 0.062 0.000 0.829 364 G HN 1.481 nan 8.290 nan 0.000 0.599 365 S N -0.418 115.325 115.700 0.072 0.000 2.399 365 S HA -0.090 4.380 4.470 0.001 0.000 0.231 365 S C 1.738 176.440 174.600 0.168 0.000 1.022 365 S CA 1.900 60.160 58.200 0.100 0.000 0.983 365 S CB -0.126 63.106 63.200 0.054 0.000 0.803 365 S HN 0.826 nan 8.310 nan 0.000 0.480 366 E N 0.765 121.052 120.200 0.145 0.000 2.031 366 E HA -0.260 4.091 4.350 0.001 0.000 0.193 366 E C 2.061 178.778 176.600 0.195 0.000 0.994 366 E CA 1.410 57.896 56.400 0.143 0.000 0.800 366 E CB -0.414 29.351 29.700 0.108 0.000 0.752 366 E HN 0.878 nan 8.360 nan 0.000 0.447 367 H N -1.334 117.794 119.070 0.098 0.000 2.319 367 H HA -0.216 4.340 4.556 0.001 0.000 0.299 367 H C 2.184 177.569 175.328 0.096 0.000 1.092 367 H CA 1.749 57.851 56.048 0.090 0.000 1.302 367 H CB -0.103 29.709 29.762 0.084 0.000 1.373 367 H HN 0.228 nan 8.280 nan 0.000 0.497 368 Y N 1.556 121.940 120.300 0.141 0.000 2.114 368 Y HA -0.252 4.298 4.550 0.001 0.000 0.284 368 Y C 2.081 178.017 175.900 0.059 0.000 1.143 368 Y CA 1.991 60.117 58.100 0.042 0.000 1.135 368 Y CB -0.287 38.173 38.460 -0.001 0.000 0.980 368 Y HN 0.321 nan 8.280 nan 0.000 0.499 369 D N -0.654 119.866 120.400 0.200 0.000 2.144 369 D HA -0.174 4.466 4.640 0.001 0.000 0.199 369 D C 2.375 178.690 176.300 0.026 0.000 0.984 369 D CA 1.533 55.594 54.000 0.102 0.000 0.834 369 D CB -0.417 40.462 40.800 0.132 0.000 0.955 369 D HN 0.317 nan 8.370 nan 0.000 0.465 370 V N 1.316 121.266 119.914 0.059 0.000 2.307 370 V HA -0.200 3.921 4.120 0.001 0.000 0.245 370 V C 2.517 178.605 176.094 -0.010 0.000 1.045 370 V CA 1.655 63.985 62.300 0.050 0.000 1.024 370 V CB -0.775 31.103 31.823 0.091 0.000 0.651 370 V HN 0.171 nan 8.190 nan 0.000 0.449 371 A N 0.302 123.106 122.820 -0.028 0.000 1.859 371 A HA -0.247 4.074 4.320 0.001 0.000 0.217 371 A C 2.298 179.781 177.584 -0.167 0.000 1.198 371 A CA 1.917 53.892 52.037 -0.103 0.000 0.629 371 A CB -0.561 18.387 19.000 -0.087 0.000 0.830 371 A HN 0.402 nan 8.150 nan 0.000 0.446 372 R N -0.441 119.905 120.500 -0.256 0.000 2.127 372 R HA -0.108 4.233 4.340 0.001 0.000 0.238 372 R C 2.286 178.518 176.300 -0.113 0.000 1.134 372 R CA 1.268 57.230 56.100 -0.230 0.000 0.975 372 R CB -1.757 28.344 30.300 -0.331 0.000 0.865 372 R HN 0.569 nan 8.270 nan 0.000 0.447 373 G N 0.116 108.873 108.800 -0.073 0.000 2.402 373 G HA2 -0.168 3.793 3.960 0.001 0.000 0.216 373 G HA3 -0.168 3.793 3.960 0.001 0.000 0.216 373 G C 1.581 176.467 174.900 -0.023 0.000 1.162 373 G CA 0.634 45.717 45.100 -0.027 0.000 0.777 373 G HN 0.179 nan 8.290 nan 0.000 0.539 374 V N 0.606 120.495 119.914 -0.041 0.000 2.295 374 V HA -0.230 3.890 4.120 0.001 0.000 0.246 374 V C 2.871 178.932 176.094 -0.054 0.000 1.049 374 V CA 2.202 64.471 62.300 -0.051 0.000 1.024 374 V CB -0.518 31.208 31.823 -0.163 0.000 0.648 374 V HN 0.437 nan 8.190 nan 0.000 0.447 375 Q N -0.657 119.097 119.800 -0.077 0.000 2.297 375 Q HA -0.166 4.175 4.340 0.001 0.000 0.204 375 Q C 2.298 178.276 176.000 -0.037 0.000 0.962 375 Q CA 0.964 56.729 55.803 -0.062 0.000 0.879 375 Q CB -0.100 28.587 28.738 -0.086 0.000 0.947 375 Q HN 0.549 nan 8.270 nan 0.000 0.462 376 K N 1.205 121.586 120.400 -0.032 0.000 2.007 376 K HA -0.099 4.221 4.320 0.001 0.000 0.206 376 K C 1.977 178.582 176.600 0.008 0.000 1.047 376 K CA 0.844 57.123 56.287 -0.014 0.000 0.937 376 K CB -0.099 32.393 32.500 -0.014 0.000 0.718 376 K HN 0.171 nan 8.250 nan 0.000 0.438 377 I N 1.320 121.899 120.570 0.015 0.000 2.361 377 I HA -0.268 3.903 4.170 0.001 0.000 0.251 377 I C 1.918 178.082 176.117 0.079 0.000 1.133 377 I CA 0.924 62.244 61.300 0.035 0.000 1.413 377 I CB 0.127 38.138 38.000 0.018 0.000 1.073 377 I HN 0.222 nan 8.210 nan 0.000 0.424 378 L N -0.128 121.136 121.223 0.069 0.000 2.217 378 L HA -0.194 4.147 4.340 0.001 0.000 0.211 378 L C 2.426 179.348 176.870 0.086 0.000 1.107 378 L CA 0.783 55.693 54.840 0.116 0.000 0.783 378 L CB -0.388 41.711 42.059 0.066 0.000 0.919 378 L HN 0.293 nan 8.230 nan 0.000 0.442 379 Q N 0.062 119.885 119.800 0.037 0.000 2.123 379 Q HA -0.158 4.183 4.340 0.001 0.000 0.196 379 Q C 1.753 177.763 176.000 0.016 0.000 0.958 379 Q CA 1.449 57.255 55.803 0.006 0.000 0.841 379 Q CB 0.007 28.738 28.738 -0.012 0.000 0.915 379 Q HN 0.306 nan 8.270 nan 0.000 0.455 380 D N -0.705 119.720 120.400 0.041 0.000 2.123 380 D HA -0.183 4.457 4.640 0.001 0.000 0.196 380 D C 1.579 177.936 176.300 0.094 0.000 0.992 380 D CA 1.167 55.197 54.000 0.051 0.000 0.833 380 D CB -0.302 40.528 40.800 0.049 0.000 0.954 380 D HN 0.322 nan 8.370 nan 0.000 0.455 381 Y N 1.987 122.278 120.300 -0.016 0.000 2.145 381 Y HA -0.180 4.370 4.550 0.001 0.000 0.286 381 Y C 2.238 178.128 175.900 -0.016 0.000 1.145 381 Y CA 1.624 59.715 58.100 -0.015 0.000 1.148 381 Y CB -0.388 38.064 38.460 -0.014 0.000 0.981 381 Y HN -0.183 nan 8.280 nan 0.000 0.507 382 K N -0.395 119.874 120.400 -0.219 0.000 2.103 382 K HA -0.156 4.165 4.320 0.001 0.000 0.207 382 K C 2.158 178.650 176.600 -0.180 0.000 1.048 382 K CA 1.671 57.783 56.287 -0.291 0.000 0.930 382 K CB -0.224 32.178 32.500 -0.163 0.000 0.716 382 K HN 0.308 nan 8.250 nan 0.000 0.444 383 S N 0.759 116.404 115.700 -0.092 0.000 2.402 383 S HA -0.023 4.447 4.470 0.001 0.000 0.229 383 S C 1.506 176.076 174.600 -0.051 0.000 1.021 383 S CA 0.795 58.960 58.200 -0.058 0.000 0.974 383 S CB -0.025 63.159 63.200 -0.026 0.000 0.800 383 S HN 0.281 nan 8.310 nan 0.000 0.484 384 L N 1.202 122.400 121.223 -0.041 0.000 2.591 384 L HA 0.118 4.459 4.340 0.001 0.000 0.228 384 L C 2.224 179.070 176.870 -0.040 0.000 1.133 384 L CA 0.298 55.134 54.840 -0.007 0.000 0.880 384 L CB -0.281 41.818 42.059 0.068 0.000 1.033 384 L HN 0.281 nan 8.230 nan 0.000 0.450 385 Q N -0.130 119.596 119.800 -0.124 0.000 2.297 385 Q HA -0.146 4.195 4.340 0.001 0.000 0.204 385 Q C 1.023 176.976 176.000 -0.079 0.000 0.962 385 Q CA 0.969 56.683 55.803 -0.149 0.000 0.879 385 Q CB 0.168 28.743 28.738 -0.272 0.000 0.947 385 Q HN 0.475 nan 8.270 nan 0.000 0.462 386 D N 0.578 120.941 120.400 -0.062 0.000 2.194 386 D HA -0.026 4.615 4.640 0.001 0.000 0.204 386 D C 1.776 178.062 176.300 -0.023 0.000 0.964 386 D CA 0.614 54.590 54.000 -0.040 0.000 0.846 386 D CB 0.061 40.839 40.800 -0.038 0.000 0.962 386 D HN 0.229 nan 8.370 nan 0.000 0.490 387 I N 0.252 120.813 120.570 -0.016 0.000 2.394 387 I HA -0.166 4.004 4.170 0.001 0.000 0.251 387 I C 2.092 178.211 176.117 0.003 0.000 1.136 387 I CA 0.688 61.986 61.300 -0.004 0.000 1.425 387 I CB -0.189 37.813 38.000 0.003 0.000 1.079 387 I HN -0.042 nan 8.210 nan 0.000 0.425 388 I N 1.240 121.813 120.570 0.006 0.000 2.286 388 I HA -0.195 3.975 4.170 0.001 0.000 0.245 388 I C 2.781 178.902 176.117 0.008 0.000 1.104 388 I CA 1.216 62.526 61.300 0.018 0.000 1.397 388 I CB -0.411 37.614 38.000 0.041 0.000 1.072 388 I HN 0.144 nan 8.210 nan 0.000 0.417 389 A N 0.567 123.383 122.820 -0.006 0.000 2.067 389 A HA -0.095 4.225 4.320 0.001 0.000 0.219 389 A C 2.180 179.761 177.584 -0.005 0.000 1.158 389 A CA 1.240 53.272 52.037 -0.008 0.000 0.661 389 A CB -0.370 18.617 19.000 -0.020 0.000 0.801 389 A HN 0.319 nan 8.150 nan 0.000 0.452 390 I N -1.429 119.139 120.570 -0.004 0.000 2.681 390 I HA 0.069 4.239 4.170 0.001 0.000 0.247 390 I C 1.967 178.085 176.117 0.001 0.000 1.091 390 I CA 0.965 62.264 61.300 -0.002 0.000 1.442 390 I CB -0.871 37.126 38.000 -0.004 0.000 1.219 390 I HN 0.228 nan 8.210 nan 0.000 0.451 391 L N -0.038 121.187 121.223 0.003 0.000 2.616 391 L HA 0.339 4.679 4.340 0.001 0.000 0.229 391 L C 1.021 177.897 176.870 0.009 0.000 1.110 391 L CA 0.229 55.072 54.840 0.006 0.000 0.884 391 L CB -0.010 42.052 42.059 0.005 0.000 1.115 391 L HN 0.416 nan 8.230 nan 0.000 0.481 392 G N -0.192 108.615 108.800 0.013 0.000 2.796 392 G HA2 -0.298 3.662 3.960 0.001 0.000 0.226 392 G HA3 -0.298 3.662 3.960 0.001 0.000 0.226 392 G C 0.547 175.460 174.900 0.023 0.000 1.381 392 G CA -0.150 44.961 45.100 0.018 0.000 0.867 392 G HN -0.136 nan 8.290 nan 0.000 0.552 393 M N 0.132 119.747 119.600 0.026 0.000 2.088 393 M HA -0.121 4.359 4.480 0.001 0.000 0.256 393 M C 2.246 178.557 176.300 0.019 0.000 1.071 393 M CA 2.778 58.094 55.300 0.027 0.000 1.097 393 M CB -1.574 31.039 32.600 0.022 0.000 1.315 393 M HN 0.703 nan 8.290 nan 0.000 0.406 394 D N -0.046 120.363 120.400 0.015 0.000 2.149 394 D HA -0.199 4.441 4.640 0.001 0.000 0.194 394 D C 1.713 178.020 176.300 0.011 0.000 1.001 394 D CA 1.208 55.214 54.000 0.011 0.000 0.849 394 D CB -0.261 40.544 40.800 0.009 0.000 0.939 394 D HN 0.398 nan 8.370 nan 0.000 0.449 395 E N 0.224 120.431 120.200 0.012 0.000 2.418 395 E HA 0.032 4.383 4.350 0.001 0.000 0.197 395 E C 0.821 177.428 176.600 0.011 0.000 1.026 395 E CA -0.045 56.361 56.400 0.010 0.000 0.862 395 E CB 0.061 29.766 29.700 0.009 0.000 0.799 395 E HN 0.399 nan 8.360 nan 0.000 0.518 396 L N 1.955 123.187 121.223 0.015 0.000 2.426 396 L HA 0.034 4.374 4.340 0.001 0.000 0.271 396 L C 1.029 177.907 176.870 0.012 0.000 1.169 396 L CA -0.380 54.469 54.840 0.016 0.000 0.836 396 L CB 0.542 42.614 42.059 0.023 0.000 1.112 396 L HN -0.027 nan 8.230 nan 0.000 0.465 397 S N 0.693 116.400 115.700 0.011 0.000 2.572 397 S HA -0.073 4.398 4.470 0.001 0.000 0.267 397 S C 0.908 175.512 174.600 0.008 0.000 1.361 397 S CA -0.404 57.801 58.200 0.009 0.000 1.009 397 S CB 0.856 64.061 63.200 0.008 0.000 0.888 397 S HN 0.683 nan 8.310 nan 0.000 0.553 398 E N 0.907 121.111 120.200 0.006 0.000 2.118 398 E HA -0.161 4.189 4.350 0.001 0.000 0.195 398 E C 1.789 178.390 176.600 0.003 0.000 0.992 398 E CA 1.932 58.334 56.400 0.004 0.000 0.804 398 E CB -0.354 29.348 29.700 0.003 0.000 0.741 398 E HN 0.813 nan 8.360 nan 0.000 0.458 399 E N 0.052 120.255 120.200 0.004 0.000 2.031 399 E HA -0.162 4.189 4.350 0.001 0.000 0.193 399 E C 1.808 178.411 176.600 0.005 0.000 0.994 399 E CA 1.425 57.827 56.400 0.004 0.000 0.800 399 E CB -0.137 29.566 29.700 0.005 0.000 0.752 399 E HN 0.255 nan 8.360 nan 0.000 0.447 400 D N 0.534 120.941 120.400 0.011 0.000 2.158 400 D HA -0.161 4.480 4.640 0.001 0.000 0.197 400 D C 1.594 177.903 176.300 0.014 0.000 0.995 400 D CA 1.062 55.075 54.000 0.021 0.000 0.846 400 D CB -0.085 40.732 40.800 0.028 0.000 0.941 400 D HN 0.102 nan 8.370 nan 0.000 0.456 401 K N -0.273 120.130 120.400 0.006 0.000 2.147 401 K HA -0.126 4.195 4.320 0.001 0.000 0.205 401 K C 1.957 178.542 176.600 -0.025 0.000 1.049 401 K CA 0.433 56.717 56.287 -0.005 0.000 0.936 401 K CB -0.094 32.405 32.500 -0.001 0.000 0.722 401 K HN 0.108 nan 8.250 nan 0.000 0.446 402 L N 1.052 122.263 121.223 -0.020 0.000 2.095 402 L HA -0.110 4.230 4.340 0.001 0.000 0.204 402 L C 2.443 179.284 176.870 -0.048 0.000 1.080 402 L CA 1.875 56.697 54.840 -0.030 0.000 0.759 402 L CB -0.783 41.266 42.059 -0.016 0.000 0.914 402 L HN 0.250 nan 8.230 nan 0.000 0.439 403 T N -4.093 110.441 114.554 -0.034 0.000 2.881 403 T HA -0.132 4.218 4.350 0.001 0.000 0.270 403 T C 1.815 176.453 174.700 -0.103 0.000 1.068 403 T CA 1.430 63.507 62.100 -0.038 0.000 1.131 403 T CB -0.929 67.944 68.868 0.007 0.000 0.871 403 T HN 0.120 nan 8.240 nan 0.000 0.479 404 V N 2.666 122.510 119.914 -0.118 0.000 2.244 404 V HA -0.157 3.964 4.120 0.001 0.000 0.244 404 V C 3.225 179.114 176.094 -0.342 0.000 1.042 404 V CA 2.098 64.233 62.300 -0.275 0.000 1.006 404 V CB -1.064 30.692 31.823 -0.110 0.000 0.641 404 V HN 0.770 nan 8.190 nan 0.000 0.446 405 S N 0.525 116.114 115.700 -0.187 0.000 2.370 405 S HA -0.275 4.195 4.470 0.001 0.000 0.226 405 S C 2.061 176.552 174.600 -0.182 0.000 1.033 405 S CA 1.662 59.768 58.200 -0.156 0.000 1.011 405 S CB -0.564 62.586 63.200 -0.083 0.000 0.852 405 S HN 0.535 nan 8.310 nan 0.000 0.457 406 R N 1.477 121.879 120.500 -0.163 0.000 2.073 406 R HA 0.074 4.415 4.340 0.001 0.000 0.234 406 R C 2.866 179.056 176.300 -0.183 0.000 1.134 406 R CA 1.288 57.292 56.100 -0.160 0.000 0.952 406 R CB -0.885 29.355 30.300 -0.100 0.000 0.850 406 R HN 0.569 nan 8.270 nan 0.000 0.433 407 A N 1.287 123.977 122.820 -0.217 0.000 1.883 407 A HA -0.203 4.117 4.320 0.001 0.000 0.217 407 A C 2.102 179.551 177.584 -0.225 0.000 1.186 407 A CA 1.449 53.360 52.037 -0.211 0.000 0.624 407 A CB -0.420 18.383 19.000 -0.328 0.000 0.822 407 A HN 0.240 nan 8.150 nan 0.000 0.444 408 R N -0.488 119.800 120.500 -0.352 0.000 2.148 408 R HA -0.064 4.277 4.340 0.001 0.000 0.227 408 R C 2.105 178.336 176.300 -0.115 0.000 1.103 408 R CA 1.481 57.451 56.100 -0.218 0.000 0.983 408 R CB -0.181 29.979 30.300 -0.232 0.000 0.874 408 R HN 0.529 nan 8.270 nan 0.000 0.451 409 K N 0.304 120.586 120.400 -0.198 0.000 2.103 409 K HA -0.035 4.285 4.320 0.001 0.000 0.204 409 K C 1.941 178.379 176.600 -0.270 0.000 1.052 409 K CA 1.024 57.100 56.287 -0.352 0.000 0.945 409 K CB 0.003 32.070 32.500 -0.722 0.000 0.722 409 K HN 0.104 nan 8.250 nan 0.000 0.443 410 I N 1.268 121.767 120.570 -0.119 0.000 2.252 410 I HA -0.290 3.880 4.170 0.001 0.000 0.245 410 I C 2.497 178.769 176.117 0.258 0.000 1.102 410 I CA 1.288 62.682 61.300 0.157 0.000 1.385 410 I CB -0.132 37.971 38.000 0.173 0.000 1.064 410 I HN 0.205 nan 8.210 nan 0.000 0.414 411 Q N 0.314 120.195 119.800 0.134 0.000 2.096 411 Q HA -0.232 4.108 4.340 0.001 0.000 0.204 411 Q C 2.380 178.486 176.000 0.176 0.000 0.982 411 Q CA 1.694 57.581 55.803 0.140 0.000 0.850 411 Q CB -0.036 28.769 28.738 0.112 0.000 0.901 411 Q HN 0.383 nan 8.270 nan 0.000 0.422 412 R N -0.899 119.715 120.500 0.191 0.000 2.115 412 R HA -0.097 4.244 4.340 0.001 0.000 0.226 412 R C 1.798 178.290 176.300 0.320 0.000 1.100 412 R CA 0.956 57.223 56.100 0.279 0.000 0.980 412 R CB -0.118 30.362 30.300 0.300 0.000 0.875 412 R HN 0.189 nan 8.270 nan 0.000 0.445 413 F N 0.575 120.610 119.950 0.142 0.000 2.558 413 F HA 0.076 4.603 4.527 0.001 0.000 0.298 413 F C 1.364 177.294 175.800 0.217 0.000 1.119 413 F CA 0.684 58.737 58.000 0.087 0.000 1.451 413 F CB 0.146 39.053 39.000 -0.155 0.000 1.091 413 F HN -0.085 nan 8.300 nan 0.000 0.563 414 L N -0.353 121.038 121.223 0.280 0.000 2.291 414 L HA -0.047 4.294 4.340 0.001 0.000 0.214 414 L C 1.539 178.420 176.870 0.018 0.000 1.120 414 L CA 0.487 55.442 54.840 0.191 0.000 0.799 414 L CB -0.737 41.407 42.059 0.141 0.000 0.925 414 L HN 0.151 nan 8.230 nan 0.000 0.446 415 S N -0.492 115.212 115.700 0.007 0.000 2.614 415 S HA 0.363 4.833 4.470 0.001 0.000 0.265 415 S C -0.340 174.155 174.600 -0.175 0.000 1.303 415 S CA -0.462 57.698 58.200 -0.067 0.000 1.000 415 S CB 1.880 65.074 63.200 -0.011 0.000 0.935 415 S HN 0.267 nan 8.310 nan 0.000 0.551 416 Q N 0.507 120.159 119.800 -0.247 0.000 2.403 416 Q HA 0.413 4.753 4.340 0.001 0.000 0.267 416 Q C -3.092 172.699 176.000 -0.349 0.000 0.991 416 Q CA -1.854 53.798 55.803 -0.250 0.000 0.906 416 Q CB 2.415 31.083 28.738 -0.116 0.000 1.422 416 Q HN 0.578 nan 8.270 nan 0.000 0.400 417 P HA 0.201 nan 4.420 nan 0.000 0.287 417 P C -1.074 176.287 177.300 0.101 0.000 1.281 417 P CA 0.210 63.238 63.100 -0.120 0.000 0.781 417 P CB 0.219 31.887 31.700 -0.053 0.000 0.903 418 F N 1.411 121.375 119.950 0.023 0.000 2.385 418 F HA 0.224 4.751 4.527 0.001 0.000 0.336 418 F C 2.342 178.163 175.800 0.035 0.000 1.100 418 F CA -0.764 57.254 58.000 0.030 0.000 1.116 418 F CB 1.593 40.618 39.000 0.042 0.000 1.166 418 F HN 0.371 nan 8.300 nan 0.000 0.511 419 Q N 1.378 121.309 119.800 0.218 0.000 2.152 419 Q HA -0.162 4.179 4.340 0.001 0.000 0.206 419 Q C 1.586 177.651 176.000 0.108 0.000 0.985 419 Q CA 1.516 57.386 55.803 0.113 0.000 0.863 419 Q CB 0.042 28.812 28.738 0.054 0.000 0.904 419 Q HN 0.613 nan 8.270 nan 0.000 0.422 420 V N -0.383 119.615 119.914 0.140 0.000 3.461 420 V HA 0.022 4.143 4.120 0.001 0.000 0.267 420 V C 1.082 177.292 176.094 0.194 0.000 1.186 420 V CA 1.153 63.532 62.300 0.130 0.000 1.154 420 V CB 0.373 32.258 31.823 0.104 0.000 0.802 420 V HN 0.392 nan 8.190 nan 0.000 0.474 421 A N -1.026 121.935 122.820 0.234 0.000 2.606 421 A HA 0.288 4.609 4.320 0.001 0.000 0.290 421 A C 1.451 179.154 177.584 0.199 0.000 1.174 421 A CA -0.225 51.997 52.037 0.308 0.000 0.958 421 A CB -0.057 19.094 19.000 0.252 0.000 1.194 421 A HN 0.459 nan 8.150 nan 0.000 0.526 422 E N -0.197 120.055 120.200 0.085 0.000 2.204 422 E HA -0.136 4.214 4.350 0.001 0.000 0.195 422 E C 1.573 178.128 176.600 -0.076 0.000 0.990 422 E CA 1.273 57.687 56.400 0.022 0.000 0.821 422 E CB -0.132 29.575 29.700 0.011 0.000 0.750 422 E HN 0.464 nan 8.360 nan 0.000 0.477 423 V N 0.359 120.138 119.914 -0.225 0.000 2.407 423 V HA -0.232 3.888 4.120 0.001 0.000 0.248 423 V C 1.699 177.532 176.094 -0.436 0.000 1.055 423 V CA 1.691 63.726 62.300 -0.442 0.000 1.049 423 V CB -0.501 30.860 31.823 -0.769 0.000 0.662 423 V HN 0.236 nan 8.190 nan 0.000 0.455 424 F N 0.552 120.483 119.950 -0.032 0.000 2.530 424 F HA 0.005 4.532 4.527 0.001 0.000 0.292 424 F C 2.551 178.337 175.800 -0.023 0.000 1.109 424 F CA 1.078 59.052 58.000 -0.045 0.000 1.450 424 F CB -0.718 38.221 39.000 -0.103 0.000 1.114 424 F HN 0.232 nan 8.300 nan 0.000 0.560 425 T N -3.438 111.205 114.554 0.149 0.000 2.983 425 T HA 0.338 4.688 4.350 0.001 0.000 0.250 425 T C 1.899 176.662 174.700 0.103 0.000 1.037 425 T CA 0.724 62.921 62.100 0.162 0.000 1.142 425 T CB -0.247 68.719 68.868 0.164 0.000 0.876 425 T HN 0.369 nan 8.240 nan 0.000 0.455 426 G N 1.226 110.012 108.800 -0.023 0.000 2.136 426 G HA2 -0.177 3.784 3.960 0.001 0.000 0.242 426 G HA3 -0.177 3.784 3.960 0.001 0.000 0.242 426 G C -0.230 174.437 174.900 -0.388 0.000 0.989 426 G CA 0.177 45.163 45.100 -0.190 0.000 0.682 426 G HN 0.868 nan 8.290 nan 0.000 0.522 427 H N -1.546 117.514 119.070 -0.017 0.000 2.679 427 H HA 0.578 5.134 4.556 0.001 0.000 0.360 427 H C 0.142 175.464 175.328 -0.011 0.000 1.105 427 H CA -0.860 55.175 56.048 -0.021 0.000 1.196 427 H CB 1.757 31.494 29.762 -0.042 0.000 1.636 427 H HN 0.364 nan 8.280 nan 0.000 0.531 428 L N 2.234 123.519 121.223 0.104 0.000 2.499 428 L HA 0.303 4.644 4.340 0.001 0.000 0.273 428 L C 0.744 177.663 176.870 0.082 0.000 1.195 428 L CA 0.265 55.146 54.840 0.068 0.000 0.882 428 L CB 0.144 42.229 42.059 0.044 0.000 1.133 428 L HN 0.803 nan 8.230 nan 0.000 0.483 429 G N 4.156 113.004 108.800 0.081 0.000 2.491 429 G HA2 0.250 4.211 3.960 0.001 0.000 0.238 429 G HA3 0.250 4.211 3.960 0.001 0.000 0.238 429 G C -0.429 174.521 174.900 0.084 0.000 1.277 429 G CA -0.508 44.655 45.100 0.105 0.000 0.851 429 G HN 0.649 nan 8.290 nan 0.000 0.573 430 K N 0.188 120.648 120.400 0.100 0.000 2.435 430 K HA 0.545 4.865 4.320 0.001 0.000 0.251 430 K C -1.223 175.427 176.600 0.084 0.000 0.954 430 K CA -0.821 55.507 56.287 0.068 0.000 0.820 430 K CB 2.643 35.163 32.500 0.033 0.000 1.292 430 K HN 0.406 nan 8.250 nan 0.000 0.436 431 L N 1.463 122.717 121.223 0.052 0.000 2.441 431 L HA 0.425 4.765 4.340 0.001 0.000 0.270 431 L C -1.459 175.429 176.870 0.030 0.000 0.973 431 L CA -0.759 54.106 54.840 0.041 0.000 0.842 431 L CB 1.717 43.792 42.059 0.025 0.000 1.239 431 L HN 0.246 nan 8.230 nan 0.000 0.406 432 V N 5.903 125.833 119.914 0.027 0.000 2.394 432 V HA 0.493 4.614 4.120 0.001 0.000 0.282 432 V C -2.030 174.080 176.094 0.026 0.000 1.031 432 V CA -1.691 60.624 62.300 0.025 0.000 0.881 432 V CB 1.255 33.085 31.823 0.013 0.000 0.982 432 V HN 0.673 nan 8.190 nan 0.000 0.451 433 P HA 0.083 nan 4.420 nan 0.000 0.269 433 P C 0.726 178.042 177.300 0.026 0.000 1.209 433 P CA -0.340 62.777 63.100 0.027 0.000 0.776 433 P CB 0.707 32.425 31.700 0.029 0.000 0.876 434 L N 3.726 124.959 121.223 0.017 0.000 2.013 434 L HA -0.242 4.098 4.340 0.001 0.000 0.212 434 L C 1.863 178.726 176.870 -0.013 0.000 1.073 434 L CA 2.103 56.940 54.840 -0.005 0.000 0.753 434 L CB -0.934 41.126 42.059 0.001 0.000 0.890 434 L HN 0.215 nan 8.230 nan 0.000 0.432 435 K N 0.194 120.599 120.400 0.009 0.000 2.020 435 K HA -0.225 4.096 4.320 0.001 0.000 0.212 435 K C 2.003 178.628 176.600 0.041 0.000 1.050 435 K CA 2.221 58.519 56.287 0.019 0.000 0.929 435 K CB -0.612 31.905 32.500 0.029 0.000 0.714 435 K HN 0.594 nan 8.250 nan 0.000 0.443 436 E N 0.157 120.389 120.200 0.054 0.000 2.153 436 E HA -0.117 4.234 4.350 0.001 0.000 0.194 436 E C 1.962 178.640 176.600 0.130 0.000 0.988 436 E CA 1.336 57.785 56.400 0.083 0.000 0.811 436 E CB -0.187 29.558 29.700 0.075 0.000 0.746 436 E HN 0.325 nan 8.360 nan 0.000 0.466 437 T N 1.567 116.191 114.554 0.117 0.000 2.708 437 T HA -0.137 4.213 4.350 0.001 0.000 0.266 437 T C 2.019 176.894 174.700 0.291 0.000 1.037 437 T CA 0.953 63.173 62.100 0.199 0.000 1.146 437 T CB -0.202 68.741 68.868 0.124 0.000 0.865 437 T HN 0.115 nan 8.240 nan 0.000 0.435 438 I N 0.947 121.591 120.570 0.124 0.000 2.099 438 I HA -0.214 3.956 4.170 0.001 0.000 0.239 438 I C 2.679 178.899 176.117 0.171 0.000 1.066 438 I CA 1.473 62.837 61.300 0.106 0.000 1.324 438 I CB -0.395 37.596 38.000 -0.015 0.000 1.037 438 I HN 0.183 nan 8.210 nan 0.000 0.401 439 K N 1.074 121.549 120.400 0.125 0.000 2.103 439 K HA -0.181 4.139 4.320 0.001 0.000 0.207 439 K C 2.071 178.743 176.600 0.120 0.000 1.048 439 K CA 1.671 58.023 56.287 0.108 0.000 0.930 439 K CB -0.341 32.210 32.500 0.085 0.000 0.716 439 K HN 0.433 nan 8.250 nan 0.000 0.444 440 G N 0.139 109.020 108.800 0.135 0.000 2.414 440 G HA2 -0.201 3.759 3.960 0.001 0.000 0.215 440 G HA3 -0.201 3.759 3.960 0.001 0.000 0.215 440 G C 1.240 176.082 174.900 -0.097 0.000 1.188 440 G CA 0.578 45.674 45.100 -0.007 0.000 0.783 440 G HN 0.271 nan 8.290 nan 0.000 0.537 441 F N 0.563 120.638 119.950 0.208 0.000 2.206 441 F HA 0.033 4.561 4.527 0.001 0.000 0.298 441 F C 2.882 178.724 175.800 0.070 0.000 1.090 441 F CA 1.335 59.418 58.000 0.139 0.000 1.323 441 F CB -0.284 38.804 39.000 0.147 0.000 1.028 441 F HN 0.152 nan 8.300 nan 0.000 0.492 442 Q N 0.606 120.548 119.800 0.236 0.000 2.062 442 Q HA -0.312 4.028 4.340 0.001 0.000 0.209 442 Q C 2.063 178.115 176.000 0.086 0.000 0.996 442 Q CA 2.350 58.233 55.803 0.134 0.000 0.859 442 Q CB -0.213 28.589 28.738 0.106 0.000 0.920 442 Q HN 0.474 nan 8.270 nan 0.000 0.415 443 Q N -0.497 119.353 119.800 0.083 0.000 2.230 443 Q HA -0.049 4.291 4.340 0.001 0.000 0.202 443 Q C 1.954 177.975 176.000 0.034 0.000 0.963 443 Q CA 1.090 56.915 55.803 0.036 0.000 0.866 443 Q CB 0.116 28.909 28.738 0.092 0.000 0.931 443 Q HN 0.520 nan 8.270 nan 0.000 0.452 444 I N 0.053 120.671 120.570 0.081 0.000 2.761 444 I HA -0.186 3.984 4.170 0.001 0.000 0.261 444 I C 1.832 177.950 176.117 0.000 0.000 1.198 444 I CA 0.671 61.985 61.300 0.022 0.000 1.482 444 I CB -0.066 37.842 38.000 -0.153 0.000 1.100 444 I HN 0.191 nan 8.210 nan 0.000 0.445 445 L N 0.754 121.999 121.223 0.036 0.000 2.131 445 L HA -0.044 4.297 4.340 0.001 0.000 0.206 445 L C 2.678 179.550 176.870 0.004 0.000 1.087 445 L CA 0.992 55.849 54.840 0.028 0.000 0.767 445 L CB -0.494 41.597 42.059 0.054 0.000 0.917 445 L HN 0.206 nan 8.230 nan 0.000 0.441 446 A N -0.409 122.408 122.820 -0.006 0.000 2.209 446 A HA 0.187 4.507 4.320 0.001 0.000 0.212 446 A C 1.713 179.272 177.584 -0.041 0.000 1.158 446 A CA 0.898 52.921 52.037 -0.023 0.000 0.742 446 A CB -0.513 18.468 19.000 -0.030 0.000 0.790 446 A HN 0.558 nan 8.150 nan 0.000 0.472 447 G N -0.843 107.930 108.800 -0.046 0.000 2.141 447 G HA2 -0.264 3.697 3.960 0.001 0.000 0.242 447 G HA3 -0.264 3.697 3.960 0.001 0.000 0.242 447 G C 0.455 175.313 174.900 -0.071 0.000 0.982 447 G CA 0.575 45.650 45.100 -0.042 0.000 0.662 447 G HN 0.563 nan 8.290 nan 0.000 0.527 448 E N -1.088 119.002 120.200 -0.183 0.000 2.265 448 E HA -0.032 4.318 4.350 0.001 0.000 0.196 448 E C 1.097 177.451 176.600 -0.410 0.000 0.996 448 E CA 1.125 57.308 56.400 -0.363 0.000 0.832 448 E CB -0.096 29.240 29.700 -0.606 0.000 0.756 448 E HN 0.818 nan 8.360 nan 0.000 0.491 449 Y N -0.830 119.475 120.300 0.008 0.000 2.682 449 Y HA 0.124 4.674 4.550 0.001 0.000 0.251 449 Y C 0.848 176.672 175.900 -0.126 0.000 1.172 449 Y CA -0.705 57.334 58.100 -0.101 0.000 1.186 449 Y CB 0.629 39.131 38.460 0.069 0.000 1.216 449 Y HN -0.101 nan 8.280 nan 0.000 0.540 450 D N 0.375 120.818 120.400 0.071 0.000 2.203 450 D HA -0.236 4.404 4.640 0.001 0.000 0.199 450 D C 2.048 178.397 176.300 0.082 0.000 0.997 450 D CA 1.886 55.922 54.000 0.061 0.000 0.863 450 D CB -0.212 40.627 40.800 0.065 0.000 0.928 450 D HN 0.610 nan 8.370 nan 0.000 0.458 451 H N -0.470 118.646 119.070 0.075 0.000 2.502 451 H HA 0.066 4.623 4.556 0.001 0.000 0.283 451 H C 0.948 176.329 175.328 0.088 0.000 1.015 451 H CA 0.086 56.172 56.048 0.064 0.000 1.298 451 H CB -0.455 29.334 29.762 0.044 0.000 1.411 451 H HN 0.141 nan 8.280 nan 0.000 0.556 452 L N 3.188 124.246 121.223 -0.275 0.000 2.417 452 L HA 0.242 4.582 4.340 0.001 0.000 0.268 452 L C -2.043 174.855 176.870 0.046 0.000 1.158 452 L CA -1.878 52.889 54.840 -0.121 0.000 0.819 452 L CB 0.836 42.809 42.059 -0.144 0.000 1.112 452 L HN 0.115 nan 8.230 nan 0.000 0.458 453 P HA 0.205 nan 4.420 nan 0.000 0.288 453 P C -0.060 177.312 177.300 0.119 0.000 1.267 453 P CA -0.581 62.555 63.100 0.060 0.000 0.815 453 P CB 1.264 32.979 31.700 0.025 0.000 0.989 454 E N 1.570 121.852 120.200 0.138 0.000 2.095 454 E HA -0.293 4.057 4.350 0.001 0.000 0.212 454 E C 1.681 178.419 176.600 0.231 0.000 1.044 454 E CA 1.698 58.218 56.400 0.201 0.000 0.857 454 E CB -0.244 29.503 29.700 0.079 0.000 0.764 454 E HN 0.591 nan 8.360 nan 0.000 0.462 455 Q N 0.204 120.073 119.800 0.114 0.000 2.561 455 Q HA -0.027 4.313 4.340 0.001 0.000 0.217 455 Q C 1.700 177.753 176.000 0.088 0.000 0.980 455 Q CA 1.123 56.995 55.803 0.116 0.000 0.927 455 Q CB -0.062 28.715 28.738 0.065 0.000 0.980 455 Q HN 0.254 nan 8.270 nan 0.000 0.525 456 A N 0.156 122.961 122.820 -0.024 0.000 2.067 456 A HA 0.066 4.386 4.320 0.001 0.000 0.217 456 A C 1.270 178.638 177.584 -0.360 0.000 1.156 456 A CA 0.352 52.240 52.037 -0.249 0.000 0.683 456 A CB -0.393 18.330 19.000 -0.462 0.000 0.808 456 A HN 0.313 nan 8.150 nan 0.000 0.455 457 F N -2.657 117.294 119.950 0.001 0.000 2.746 457 F HA 0.210 4.737 4.527 0.001 0.000 0.297 457 F C 0.669 176.566 175.800 0.162 0.000 1.113 457 F CA -0.369 57.661 58.000 0.051 0.000 1.367 457 F CB 0.002 39.007 39.000 0.007 0.000 1.111 457 F HN 0.264 nan 8.300 nan 0.000 0.590 458 Y N 1.909 122.293 120.300 0.139 0.000 2.402 458 Y HA 0.245 4.796 4.550 0.001 0.000 0.333 458 Y C 0.730 176.609 175.900 -0.036 0.000 1.076 458 Y CA -1.259 56.880 58.100 0.064 0.000 1.299 458 Y CB 0.177 38.665 38.460 0.047 0.000 1.197 458 Y HN 0.087 nan 8.280 nan 0.000 0.517 459 M N 5.548 124.808 119.600 -0.567 0.000 2.353 459 M HA -0.168 4.312 4.480 0.001 0.000 0.202 459 M C -1.123 174.913 176.300 -0.440 0.000 0.434 459 M CA 0.986 55.877 55.300 -0.681 0.000 0.477 459 M CB -2.546 29.386 32.600 -1.113 0.000 1.592 459 M HN 0.448 nan 8.290 nan 0.000 0.895 460 V N -3.589 116.196 119.914 -0.214 0.000 3.155 460 V HA 1.092 5.213 4.120 0.001 0.000 0.313 460 V C 0.713 176.762 176.094 -0.076 0.000 1.162 460 V CA -0.007 62.227 62.300 -0.110 0.000 1.048 460 V CB 1.672 33.484 31.823 -0.017 0.000 1.092 460 V HN 0.349 nan 8.190 nan 0.000 0.447 461 G N -0.030 108.758 108.800 -0.020 0.000 2.992 461 G HA2 0.456 4.417 3.960 0.001 0.000 0.195 461 G HA3 0.456 4.417 3.960 0.001 0.000 0.195 461 G C -2.217 172.718 174.900 0.058 0.000 2.032 461 G CA -0.291 44.798 45.100 -0.018 0.000 0.831 461 G HN 0.773 nan 8.290 nan 0.000 0.647 462 P HA 0.121 nan 4.420 nan 0.000 0.270 462 P C 0.645 178.071 177.300 0.210 0.000 1.223 462 P CA -0.418 62.779 63.100 0.162 0.000 0.785 462 P CB 1.494 33.242 31.700 0.080 0.000 0.923 463 I N 1.257 121.925 120.570 0.164 0.000 2.335 463 I HA -0.262 3.908 4.170 0.001 0.000 0.251 463 I C 1.911 177.894 176.117 -0.223 0.000 1.129 463 I CA 1.763 62.944 61.300 -0.199 0.000 1.402 463 I CB -0.586 37.229 38.000 -0.308 0.000 1.069 463 I HN 0.296 nan 8.210 nan 0.000 0.424 464 E N 0.354 120.503 120.200 -0.085 0.000 2.160 464 E HA -0.242 4.108 4.350 0.001 0.000 0.195 464 E C 2.072 178.609 176.600 -0.105 0.000 0.991 464 E CA 1.361 57.715 56.400 -0.077 0.000 0.810 464 E CB -0.217 29.472 29.700 -0.019 0.000 0.742 464 E HN 0.571 nan 8.360 nan 0.000 0.466 465 E N -0.034 120.116 120.200 -0.082 0.000 2.150 465 E HA -0.121 4.230 4.350 0.001 0.000 0.193 465 E C 2.016 178.515 176.600 -0.168 0.000 0.985 465 E CA 0.741 57.090 56.400 -0.085 0.000 0.814 465 E CB -0.085 29.594 29.700 -0.035 0.000 0.752 465 E HN 0.295 nan 8.360 nan 0.000 0.466 466 A N 0.893 123.548 122.820 -0.274 0.000 1.877 466 A HA -0.152 4.168 4.320 0.001 0.000 0.216 466 A C 2.486 179.745 177.584 -0.542 0.000 1.186 466 A CA 1.189 52.909 52.037 -0.527 0.000 0.620 466 A CB -0.709 17.731 19.000 -0.934 0.000 0.822 466 A HN 0.113 nan 8.150 nan 0.000 0.443 467 V N -0.012 119.625 119.914 -0.462 0.000 2.287 467 V HA -0.290 3.830 4.120 0.001 0.000 0.248 467 V C 3.043 179.031 176.094 -0.177 0.000 1.053 467 V CA 2.117 64.241 62.300 -0.295 0.000 1.027 467 V CB -1.337 30.390 31.823 -0.159 0.000 0.646 467 V HN 0.621 nan 8.190 nan 0.000 0.447 468 A N -0.701 122.034 122.820 -0.141 0.000 1.930 468 A HA -0.227 4.094 4.320 0.001 0.000 0.217 468 A C 2.365 179.895 177.584 -0.090 0.000 1.175 468 A CA 1.945 53.929 52.037 -0.088 0.000 0.627 468 A CB -0.463 18.500 19.000 -0.062 0.000 0.815 468 A HN 0.491 nan 8.150 nan 0.000 0.443 469 K N -0.359 119.966 120.400 -0.125 0.000 2.148 469 K HA -0.036 4.284 4.320 0.001 0.000 0.204 469 K C 2.118 178.651 176.600 -0.112 0.000 1.050 469 K CA 0.960 57.184 56.287 -0.105 0.000 0.942 469 K CB -0.237 32.192 32.500 -0.119 0.000 0.724 469 K HN 0.406 nan 8.250 nan 0.000 0.446 470 A N 1.607 124.328 122.820 -0.165 0.000 1.873 470 A HA -0.163 4.157 4.320 0.001 0.000 0.215 470 A C 1.603 179.147 177.584 -0.066 0.000 1.186 470 A CA 1.799 53.754 52.037 -0.137 0.000 0.616 470 A CB -0.415 18.467 19.000 -0.197 0.000 0.823 470 A HN 0.298 nan 8.150 nan 0.000 0.442 471 D N -0.405 119.962 120.400 -0.054 0.000 2.144 471 D HA -0.125 4.515 4.640 0.001 0.000 0.199 471 D C 1.822 178.110 176.300 -0.019 0.000 0.984 471 D CA 1.225 55.212 54.000 -0.023 0.000 0.834 471 D CB -0.257 40.533 40.800 -0.017 0.000 0.955 471 D HN 0.488 nan 8.370 nan 0.000 0.465 472 K N 0.351 120.735 120.400 -0.027 0.000 2.147 472 K HA -0.040 4.281 4.320 0.001 0.000 0.205 472 K C 1.988 178.581 176.600 -0.011 0.000 1.049 472 K CA 0.410 56.687 56.287 -0.017 0.000 0.936 472 K CB -0.069 32.421 32.500 -0.017 0.000 0.722 472 K HN 0.138 nan 8.250 nan 0.000 0.446 473 L N 0.680 121.893 121.223 -0.016 0.000 2.552 473 L HA 0.001 4.341 4.340 0.001 0.000 0.227 473 L C 0.702 177.571 176.870 -0.002 0.000 1.146 473 L CA 0.253 55.089 54.840 -0.007 0.000 0.858 473 L CB -0.437 41.615 42.059 -0.012 0.000 0.969 473 L HN 0.261 nan 8.230 nan 0.000 0.451 474 A N 0.000 122.819 122.820 -0.002 0.000 2.254 474 A HA 0.000 4.320 4.320 0.001 0.000 0.244 474 A CA 0.000 52.039 52.037 0.003 0.000 0.836 474 A CB 0.000 19.002 19.000 0.003 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486