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 1w0j_1_F 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 0.000 174.846 174.700 0.243 0.000 1.109 9 T CA 0.000 62.187 62.100 0.144 0.000 1.349 9 T CB 0.000 68.966 68.868 0.163 0.000 0.612 10 T N 0.263 114.930 114.554 0.188 0.000 2.770 10 T HA 0.670 5.024 4.350 0.006 0.000 0.283 10 T C 0.180 174.790 174.700 -0.150 0.000 0.988 10 T CA 0.120 62.260 62.100 0.067 0.000 0.957 10 T CB 0.270 69.143 68.868 0.007 0.000 0.930 10 T HN 0.965 nan 8.240 nan 0.000 0.443 11 G N 3.591 112.051 108.800 -0.568 0.000 2.601 11 G HA2 0.796 4.759 3.960 0.006 0.000 0.317 11 G HA3 0.796 4.759 3.960 0.006 0.000 0.317 11 G C -1.137 173.422 174.900 -0.568 0.000 1.246 11 G CA -1.101 43.289 45.100 -1.183 0.000 1.012 11 G HN 0.886 nan 8.290 nan 0.000 0.494 12 R N -0.699 119.515 120.500 -0.477 0.000 2.673 12 R HA 0.491 4.835 4.340 0.006 0.000 0.281 12 R C -0.854 175.329 176.300 -0.196 0.000 0.991 12 R CA -0.965 54.984 56.100 -0.253 0.000 0.896 12 R CB 2.027 32.225 30.300 -0.171 0.000 1.201 12 R HN 0.355 nan 8.270 nan 0.000 0.457 13 I N 3.014 123.509 120.570 -0.125 0.000 2.587 13 I HA -0.088 4.086 4.170 0.006 0.000 0.284 13 I C 1.507 177.585 176.117 -0.064 0.000 1.134 13 I CA -0.065 61.187 61.300 -0.079 0.000 1.410 13 I CB 1.116 39.085 38.000 -0.052 0.000 1.392 13 I HN 0.633 nan 8.210 nan 0.000 0.545 14 V N 3.292 123.176 119.914 -0.050 0.000 3.431 14 V HA 0.528 4.651 4.120 0.006 0.000 0.253 14 V C 0.675 176.756 176.094 -0.022 0.000 1.184 14 V CA 0.469 62.748 62.300 -0.036 0.000 1.104 14 V CB -0.037 31.766 31.823 -0.033 0.000 0.799 14 V HN 0.730 nan 8.190 nan 0.000 0.462 15 A N -0.397 122.413 122.820 -0.016 0.000 2.574 15 A HA 0.807 5.130 4.320 0.006 0.000 0.297 15 A C -1.301 176.279 177.584 -0.006 0.000 1.062 15 A CA -0.392 51.639 52.037 -0.009 0.000 0.686 15 A CB 2.228 21.226 19.000 -0.004 0.000 1.285 15 A HN 0.484 nan 8.150 nan 0.000 0.403 16 V N 2.238 122.149 119.914 -0.006 0.000 2.569 16 V HA 0.606 4.730 4.120 0.006 0.000 0.301 16 V C -1.327 174.766 176.094 -0.003 0.000 1.044 16 V CA -0.233 62.065 62.300 -0.003 0.000 0.874 16 V CB 1.503 33.323 31.823 -0.006 0.000 1.002 16 V HN 0.867 nan 8.190 nan 0.000 0.424 17 I N 4.738 125.307 120.570 -0.001 0.000 2.497 17 I HA 0.784 4.957 4.170 0.006 0.000 0.284 17 I C 0.773 176.889 176.117 -0.002 0.000 1.060 17 I CA 1.088 62.387 61.300 -0.002 0.000 1.071 17 I CB 1.163 39.162 38.000 -0.002 0.000 1.216 17 I HN 0.839 nan 8.210 nan 0.000 0.442 18 G N 5.985 114.783 108.800 -0.002 0.000 2.700 18 G HA2 -0.372 3.591 3.960 0.006 0.000 0.350 18 G HA3 -0.372 3.591 3.960 0.006 0.000 0.350 18 G C 0.980 175.880 174.900 -0.001 0.000 1.250 18 G CA 0.983 46.082 45.100 -0.003 0.000 0.978 18 G HN 1.532 nan 8.290 nan 0.000 0.551 19 A N -0.843 121.976 122.820 -0.002 0.000 2.238 19 A HA 0.557 4.880 4.320 0.006 0.000 0.208 19 A C 0.896 178.483 177.584 0.005 0.000 1.177 19 A CA 1.456 53.493 52.037 0.001 0.000 0.804 19 A CB 0.045 19.044 19.000 -0.003 0.000 0.823 19 A HN 1.163 nan 8.150 nan 0.000 0.482 20 V N 0.790 120.706 119.914 0.004 0.000 2.398 20 V HA 0.430 4.554 4.120 0.006 0.000 0.286 20 V C -0.688 175.412 176.094 0.010 0.000 1.026 20 V CA -0.391 61.914 62.300 0.008 0.000 0.868 20 V CB 1.510 33.336 31.823 0.005 0.000 0.982 20 V HN 0.057 nan 8.190 nan 0.000 0.443 21 V N 4.015 123.940 119.914 0.017 0.000 2.525 21 V HA 0.454 4.577 4.120 0.006 0.000 0.299 21 V C -0.922 175.188 176.094 0.025 0.000 1.034 21 V CA -0.820 61.490 62.300 0.017 0.000 0.863 21 V CB 2.077 33.910 31.823 0.017 0.000 0.999 21 V HN 0.798 nan 8.190 nan 0.000 0.423 22 D N 3.329 123.739 120.400 0.017 0.000 2.210 22 D HA 0.611 5.255 4.640 0.006 0.000 0.249 22 D C -0.510 175.795 176.300 0.009 0.000 1.078 22 D CA -0.014 54.000 54.000 0.023 0.000 0.875 22 D CB 2.241 43.050 40.800 0.015 0.000 1.175 22 D HN 0.273 nan 8.370 nan 0.000 0.440 23 V N 2.202 122.134 119.914 0.029 0.000 2.577 23 V HA 0.282 4.405 4.120 0.006 0.000 0.303 23 V C -0.204 175.878 176.094 -0.020 0.000 1.042 23 V CA -0.926 61.357 62.300 -0.028 0.000 0.872 23 V CB 1.946 33.778 31.823 0.014 0.000 0.998 23 V HN 0.398 nan 8.190 nan 0.000 0.423 24 Q N 2.961 122.677 119.800 -0.140 0.000 2.257 24 Q HA 0.646 4.989 4.340 0.006 0.000 0.255 24 Q C -1.870 173.973 176.000 -0.261 0.000 0.920 24 Q CA -0.416 55.333 55.803 -0.092 0.000 0.927 24 Q CB 1.308 30.004 28.738 -0.070 0.000 1.229 24 Q HN 0.628 nan 8.270 nan 0.000 0.433 25 F N 2.387 122.307 119.950 -0.050 0.000 2.482 25 F HA 0.260 4.790 4.527 0.006 0.000 0.331 25 F C 0.688 176.463 175.800 -0.043 0.000 1.115 25 F CA -0.650 57.323 58.000 -0.046 0.000 0.955 25 F CB 1.755 40.721 39.000 -0.058 0.000 1.136 25 F HN 0.649 nan 8.300 nan 0.000 0.452 26 D N 1.561 122.027 120.400 0.110 0.000 2.103 26 D HA -0.068 4.575 4.640 0.006 0.000 0.199 26 D C -0.001 176.340 176.300 0.068 0.000 0.978 26 D CA 1.385 55.421 54.000 0.061 0.000 0.829 26 D CB 0.260 41.075 40.800 0.026 0.000 0.981 26 D HN 0.520 nan 8.370 nan 0.000 0.464 27 E N -0.823 119.431 120.200 0.090 0.000 2.212 27 E HA 0.503 4.857 4.350 0.006 0.000 0.268 27 E C -0.423 176.208 176.600 0.052 0.000 0.902 27 E CA -0.437 55.996 56.400 0.057 0.000 0.779 27 E CB 2.160 31.884 29.700 0.039 0.000 1.172 27 E HN 0.156 nan 8.360 nan 0.000 0.409 28 G N 2.400 111.197 108.800 -0.005 0.000 2.675 28 G HA2 -0.233 3.730 3.960 0.006 0.000 0.196 28 G HA3 -0.233 3.730 3.960 0.006 0.000 0.196 28 G C -0.818 173.973 174.900 -0.182 0.000 0.679 28 G CA -0.620 44.440 45.100 -0.066 0.000 0.886 28 G HN 0.249 nan 8.290 nan 0.000 0.320 29 L N 5.576 126.670 121.223 -0.216 0.000 2.367 29 L HA 0.462 4.805 4.340 0.006 0.000 0.275 29 L C -1.082 175.571 176.870 -0.363 0.000 1.129 29 L CA -1.609 52.995 54.840 -0.393 0.000 0.839 29 L CB 0.724 42.515 42.059 -0.446 0.000 1.133 29 L HN 0.454 nan 8.230 nan 0.000 0.453 30 P HA 0.202 nan 4.420 nan 0.000 0.271 30 P C -2.662 174.630 177.300 -0.012 0.000 1.220 30 P CA -1.284 61.637 63.100 -0.297 0.000 0.768 30 P CB 0.078 31.533 31.700 -0.408 0.000 0.848 31 P HA 0.159 nan 4.420 nan 0.000 0.273 31 P C 0.391 177.687 177.300 -0.008 0.000 1.250 31 P CA -0.226 62.900 63.100 0.044 0.000 0.793 31 P CB 0.725 32.407 31.700 -0.030 0.000 1.011 32 I N 1.511 122.006 120.570 -0.125 0.000 2.710 32 I HA -0.099 4.075 4.170 0.006 0.000 0.286 32 I C 1.521 177.563 176.117 -0.126 0.000 1.181 32 I CA 0.661 61.883 61.300 -0.130 0.000 1.430 32 I CB -0.316 37.564 38.000 -0.200 0.000 1.367 32 I HN 0.416 nan 8.210 nan 0.000 0.577 33 L N 2.064 123.209 121.223 -0.130 0.000 4.110 33 L HA -0.246 4.097 4.340 0.006 0.000 0.404 33 L C 0.262 177.084 176.870 -0.079 0.000 0.763 33 L CA 0.064 54.787 54.840 -0.195 0.000 2.413 33 L CB -1.501 40.342 42.059 -0.359 0.000 1.244 33 L HN 0.661 nan 8.230 nan 0.000 0.614 34 N N 1.456 120.129 118.700 -0.044 0.000 2.454 34 N HA 0.412 5.156 4.740 0.006 0.000 0.254 34 N C 0.305 175.822 175.510 0.013 0.000 1.228 34 N CA 1.027 54.068 53.050 -0.015 0.000 0.900 34 N CB 0.824 39.291 38.487 -0.032 0.000 1.089 34 N HN 0.321 nan 8.380 nan 0.000 0.449 35 A N 3.052 125.887 122.820 0.026 0.000 2.362 35 A HA 0.469 4.792 4.320 0.006 0.000 0.276 35 A C -0.247 177.359 177.584 0.038 0.000 1.153 35 A CA -0.427 51.633 52.037 0.038 0.000 0.813 35 A CB -0.034 18.989 19.000 0.038 0.000 1.081 35 A HN 0.629 nan 8.150 nan 0.000 0.507 36 L N 2.408 123.665 121.223 0.057 0.000 2.334 36 L HA 0.500 4.843 4.340 0.006 0.000 0.273 36 L C -0.166 176.742 176.870 0.064 0.000 1.013 36 L CA -0.715 54.174 54.840 0.082 0.000 0.816 36 L CB 1.719 43.861 42.059 0.138 0.000 1.278 36 L HN 0.655 nan 8.230 nan 0.000 0.431 37 E N 2.396 122.631 120.200 0.059 0.000 2.158 37 E HA 0.347 4.701 4.350 0.006 0.000 0.271 37 E C -0.927 175.693 176.600 0.033 0.000 0.911 37 E CA -0.724 55.699 56.400 0.038 0.000 0.767 37 E CB 2.830 32.545 29.700 0.024 0.000 1.120 37 E HN 0.182 nan 8.360 nan 0.000 0.405 38 V N 3.777 123.704 119.914 0.022 0.000 2.530 38 V HA 0.004 4.128 4.120 0.006 0.000 0.282 38 V C 0.548 176.644 176.094 0.003 0.000 1.048 38 V CA -0.435 61.870 62.300 0.009 0.000 0.997 38 V CB 0.907 32.733 31.823 0.005 0.000 0.987 38 V HN 0.509 nan 8.190 nan 0.000 0.477 39 Q N 2.423 122.220 119.800 -0.005 0.000 2.312 39 Q HA 0.441 4.784 4.340 0.006 0.000 0.236 39 Q C 1.167 177.161 176.000 -0.009 0.000 0.965 39 Q CA 0.460 56.258 55.803 -0.007 0.000 0.894 39 Q CB 1.073 29.804 28.738 -0.012 0.000 1.225 39 Q HN 1.153 nan 8.270 nan 0.000 0.478 40 G N 1.403 110.199 108.800 -0.008 0.000 2.160 40 G HA2 -0.207 3.756 3.960 0.006 0.000 0.244 40 G HA3 -0.207 3.756 3.960 0.006 0.000 0.244 40 G C -0.205 174.691 174.900 -0.006 0.000 1.022 40 G CA -0.127 44.968 45.100 -0.008 0.000 0.741 40 G HN 0.309 nan 8.290 nan 0.000 0.508 41 R N -0.282 120.216 120.500 -0.003 0.000 2.670 41 R HA 0.468 4.812 4.340 0.006 0.000 0.289 41 R C 0.842 177.142 176.300 -0.000 0.000 0.965 41 R CA -0.903 55.196 56.100 -0.001 0.000 0.899 41 R CB 1.269 31.570 30.300 0.001 0.000 1.173 41 R HN 0.146 nan 8.270 nan 0.000 0.456 42 E N 0.967 121.167 120.200 -0.000 0.000 2.028 42 E HA -0.069 4.284 4.350 0.006 0.000 0.191 42 E C 0.621 177.222 176.600 0.002 0.000 0.988 42 E CA 1.559 57.959 56.400 0.000 0.000 0.799 42 E CB 0.077 29.777 29.700 0.000 0.000 0.755 42 E HN 0.704 nan 8.360 nan 0.000 0.447 43 T N -1.382 113.173 114.554 0.003 0.000 2.945 43 T HA 0.431 4.784 4.350 0.006 0.000 0.286 43 T C 0.179 174.883 174.700 0.006 0.000 1.025 43 T CA -0.933 61.170 62.100 0.004 0.000 1.039 43 T CB 2.311 71.181 68.868 0.004 0.000 1.068 43 T HN -0.087 nan 8.240 nan 0.000 0.497 44 R N 1.089 121.593 120.500 0.007 0.000 2.458 44 R HA 0.290 4.634 4.340 0.006 0.000 0.303 44 R C -0.983 175.324 176.300 0.012 0.000 1.013 44 R CA -0.503 55.603 56.100 0.009 0.000 1.026 44 R CB -0.187 30.119 30.300 0.010 0.000 0.948 44 R HN 0.587 nan 8.270 nan 0.000 0.417 45 L N 6.474 127.705 121.223 0.012 0.000 2.324 45 L HA 0.311 4.655 4.340 0.006 0.000 0.274 45 L C -1.194 175.689 176.870 0.021 0.000 1.012 45 L CA -0.508 54.341 54.840 0.015 0.000 0.859 45 L CB 1.656 43.722 42.059 0.012 0.000 1.224 45 L HN 0.342 nan 8.230 nan 0.000 0.429 46 V N 6.055 125.984 119.914 0.025 0.000 2.546 46 V HA 0.386 4.509 4.120 0.006 0.000 0.284 46 V C 0.198 176.314 176.094 0.038 0.000 1.050 46 V CA -0.459 61.861 62.300 0.033 0.000 0.981 46 V CB 1.408 33.252 31.823 0.034 0.000 0.990 46 V HN 0.565 nan 8.190 nan 0.000 0.474 47 L N 4.198 125.448 121.223 0.046 0.000 2.333 47 L HA 0.561 4.905 4.340 0.006 0.000 0.280 47 L C 0.002 176.907 176.870 0.058 0.000 1.004 47 L CA -0.328 54.543 54.840 0.052 0.000 0.820 47 L CB 1.820 43.915 42.059 0.059 0.000 1.247 47 L HN 0.689 nan 8.230 nan 0.000 0.416 48 E N 2.943 123.177 120.200 0.056 0.000 2.146 48 E HA 0.331 4.685 4.350 0.006 0.000 0.282 48 E C -0.939 175.686 176.600 0.042 0.000 0.989 48 E CA -0.752 55.681 56.400 0.055 0.000 0.799 48 E CB 1.715 31.463 29.700 0.080 0.000 1.088 48 E HN 0.333 nan 8.360 nan 0.000 0.397 49 V N 4.311 124.244 119.914 0.032 0.000 2.585 49 V HA 0.089 4.213 4.120 0.006 0.000 0.296 49 V C 0.912 177.011 176.094 0.008 0.000 1.035 49 V CA 0.948 63.271 62.300 0.038 0.000 1.084 49 V CB 0.806 32.656 31.823 0.044 0.000 0.953 49 V HN 0.911 nan 8.190 nan 0.000 0.483 50 A N 4.198 127.032 122.820 0.024 0.000 1.999 50 A HA 0.337 4.660 4.320 0.006 0.000 0.200 50 A C 0.653 178.234 177.584 -0.005 0.000 1.363 50 A CA 0.197 52.234 52.037 -0.001 0.000 0.844 50 A CB 0.390 19.396 19.000 0.009 0.000 0.954 50 A HN 0.780 nan 8.150 nan 0.000 0.481 51 Q N -0.892 118.934 119.800 0.042 0.000 2.418 51 Q HA 0.376 4.719 4.340 0.006 0.000 0.282 51 Q C -1.706 174.408 176.000 0.190 0.000 1.044 51 Q CA -0.556 55.279 55.803 0.053 0.000 0.813 51 Q CB 1.730 30.494 28.738 0.044 0.000 1.428 51 Q HN 0.601 nan 8.270 nan 0.000 0.402 52 H N 2.028 121.093 119.070 -0.007 0.000 2.690 52 H HA 0.211 4.770 4.556 0.005 0.000 0.289 52 H C 0.650 175.982 175.328 0.006 0.000 1.089 52 H CA -0.310 55.738 56.048 -0.001 0.000 1.299 52 H CB 0.929 30.685 29.762 -0.011 0.000 1.405 52 H HN 0.451 nan 8.280 nan 0.000 0.463 53 L N 3.013 124.303 121.223 0.111 0.000 2.465 53 L HA 0.040 4.383 4.340 0.006 0.000 0.224 53 L C 1.302 178.201 176.870 0.048 0.000 1.145 53 L CA 0.607 55.486 54.840 0.064 0.000 0.834 53 L CB -0.372 41.714 42.059 0.044 0.000 0.944 53 L HN 0.901 nan 8.230 nan 0.000 0.451 54 G N 0.211 109.040 108.800 0.048 0.000 2.781 54 G HA2 -0.229 3.734 3.960 0.006 0.000 0.683 54 G HA3 -0.229 3.734 3.960 0.006 0.000 0.683 54 G C 0.100 175.006 174.900 0.011 0.000 1.390 54 G CA -0.270 44.847 45.100 0.027 0.000 0.850 54 G HN 0.365 nan 8.290 nan 0.000 0.557 55 E N -1.009 119.195 120.200 0.007 0.000 2.476 55 E HA -0.232 4.121 4.350 0.006 0.000 0.251 55 E C 1.061 177.662 176.600 0.002 0.000 1.130 55 E CA 1.185 57.587 56.400 0.004 0.000 0.736 55 E CB -1.476 28.227 29.700 0.006 0.000 1.298 55 E HN 1.961 nan 8.360 nan 0.000 0.400 56 S N -2.092 113.603 115.700 -0.008 0.000 3.380 56 S HA -0.205 4.268 4.470 0.006 0.000 0.300 56 S C 0.231 174.844 174.600 0.023 0.000 1.255 56 S CA 1.561 59.757 58.200 -0.006 0.000 0.963 56 S CB -0.807 62.404 63.200 0.018 0.000 1.106 56 S HN 0.451 nan 8.310 nan 0.000 0.629 57 T N 1.506 116.066 114.554 0.010 0.000 2.895 57 T HA 0.652 5.006 4.350 0.006 0.000 0.283 57 T C 0.274 174.991 174.700 0.029 0.000 1.014 57 T CA -0.203 61.919 62.100 0.037 0.000 1.037 57 T CB 1.829 70.711 68.868 0.024 0.000 1.006 57 T HN 0.514 nan 8.240 nan 0.000 0.468 58 V N 0.761 120.723 119.914 0.080 0.000 2.864 58 V HA 0.769 4.893 4.120 0.006 0.000 0.314 58 V C -0.481 175.670 176.094 0.095 0.000 1.073 58 V CA -1.436 60.919 62.300 0.091 0.000 0.956 58 V CB 1.862 33.749 31.823 0.106 0.000 1.023 58 V HN 0.824 nan 8.190 nan 0.000 0.435 59 R N 1.681 122.235 120.500 0.090 0.000 2.393 59 R HA 0.774 5.118 4.340 0.006 0.000 0.310 59 R C -0.200 176.139 176.300 0.064 0.000 0.968 59 R CA 0.341 56.479 56.100 0.065 0.000 0.867 59 R CB 1.656 31.984 30.300 0.047 0.000 1.124 59 R HN 1.204 nan 8.270 nan 0.000 0.450 60 T N 0.868 115.454 114.554 0.054 0.000 2.887 60 T HA 0.560 4.913 4.350 0.006 0.000 0.292 60 T C -0.283 174.438 174.700 0.036 0.000 1.087 60 T CA -0.840 61.290 62.100 0.051 0.000 1.009 60 T CB 1.180 70.088 68.868 0.066 0.000 1.203 60 T HN 0.411 nan 8.240 nan 0.000 0.518 61 I N 1.583 122.174 120.570 0.034 0.000 2.406 61 I HA 0.592 4.765 4.170 0.006 0.000 0.290 61 I C 0.613 176.749 176.117 0.031 0.000 0.999 61 I CA -1.182 60.134 61.300 0.027 0.000 1.124 61 I CB 1.656 39.670 38.000 0.023 0.000 1.289 61 I HN 0.985 nan 8.210 nan 0.000 0.441 62 A N 7.087 129.921 122.820 0.024 0.000 2.425 62 A HA 0.388 4.711 4.320 0.006 0.000 0.249 62 A C 0.789 178.387 177.584 0.024 0.000 1.084 62 A CA -0.188 51.863 52.037 0.023 0.000 0.781 62 A CB 0.373 19.383 19.000 0.017 0.000 1.019 62 A HN 0.757 nan 8.150 nan 0.000 0.490 63 M N 0.964 120.580 119.600 0.027 0.000 2.494 63 M HA 0.188 4.671 4.480 0.006 0.000 0.232 63 M C -0.078 176.234 176.300 0.021 0.000 1.137 63 M CA 0.571 55.887 55.300 0.026 0.000 1.012 63 M CB -1.072 31.547 32.600 0.032 0.000 1.567 63 M HN 0.811 nan 8.290 nan 0.000 0.486 64 D N -1.182 119.228 120.400 0.017 0.000 2.768 64 D HA 0.411 5.055 4.640 0.006 0.000 0.327 64 D C -0.596 175.710 176.300 0.010 0.000 1.302 64 D CA -0.207 53.801 54.000 0.013 0.000 0.897 64 D CB 1.132 41.940 40.800 0.013 0.000 1.420 64 D HN 0.119 nan 8.370 nan 0.000 0.494 65 G N -0.842 107.962 108.800 0.007 0.000 2.484 65 G HA2 0.347 4.310 3.960 0.006 0.000 0.235 65 G HA3 0.347 4.310 3.960 0.006 0.000 0.235 65 G C 0.818 175.721 174.900 0.004 0.000 1.282 65 G CA 0.646 45.749 45.100 0.005 0.000 0.857 65 G HN 0.404 nan 8.290 nan 0.000 0.571 66 T N -1.413 113.143 114.554 0.003 0.000 3.092 66 T HA 0.151 4.505 4.350 0.006 0.000 0.258 66 T C 0.727 175.427 174.700 -0.000 0.000 1.031 66 T CA -0.017 62.084 62.100 0.002 0.000 0.925 66 T CB 0.050 68.919 68.868 0.002 0.000 1.036 66 T HN 0.648 nan 8.240 nan 0.000 0.544 67 E N 2.018 122.217 120.200 -0.000 0.000 2.452 67 E HA 0.246 4.599 4.350 0.006 0.000 0.261 67 E C 1.147 177.745 176.600 -0.002 0.000 0.987 67 E CA 0.766 57.165 56.400 -0.002 0.000 0.926 67 E CB -0.066 29.633 29.700 -0.001 0.000 0.934 67 E HN 0.535 nan 8.360 nan 0.000 0.452 68 G N 2.736 111.534 108.800 -0.004 0.000 2.176 68 G HA2 -0.257 3.706 3.960 0.006 0.000 0.253 68 G HA3 -0.257 3.706 3.960 0.006 0.000 0.253 68 G C 0.242 175.138 174.900 -0.007 0.000 0.979 68 G CA 0.239 45.336 45.100 -0.005 0.000 0.641 68 G HN 0.475 nan 8.290 nan 0.000 0.530 69 L N 0.349 121.568 121.223 -0.007 0.000 2.436 69 L HA 0.637 4.980 4.340 0.006 0.000 0.265 69 L C 0.516 177.379 176.870 -0.012 0.000 1.168 69 L CA -0.734 54.100 54.840 -0.010 0.000 0.815 69 L CB 1.441 43.495 42.059 -0.009 0.000 1.109 69 L HN -0.024 nan 8.230 nan 0.000 0.462 70 V N 1.984 121.888 119.914 -0.017 0.000 2.789 70 V HA 0.382 4.505 4.120 0.006 0.000 0.311 70 V C -0.123 175.957 176.094 -0.024 0.000 1.073 70 V CA -0.946 61.343 62.300 -0.018 0.000 0.921 70 V CB 2.089 33.901 31.823 -0.018 0.000 1.009 70 V HN 0.672 nan 8.190 nan 0.000 0.426 71 R N 2.012 122.498 120.500 -0.024 0.000 2.570 71 R HA 0.437 4.781 4.340 0.006 0.000 0.277 71 R C 1.328 177.607 176.300 -0.036 0.000 1.039 71 R CA 1.070 57.152 56.100 -0.030 0.000 1.065 71 R CB 0.154 30.438 30.300 -0.026 0.000 0.964 71 R HN 1.202 nan 8.270 nan 0.000 0.428 72 G N 1.530 110.300 108.800 -0.049 0.000 2.308 72 G HA2 -0.336 3.627 3.960 0.006 0.000 0.221 72 G HA3 -0.336 3.627 3.960 0.006 0.000 0.221 72 G C 0.227 175.090 174.900 -0.061 0.000 1.032 72 G CA 0.040 45.108 45.100 -0.054 0.000 0.623 72 G HN 0.609 nan 8.290 nan 0.000 0.506 73 Q N 1.695 121.465 119.800 -0.051 0.000 2.310 73 Q HA 0.283 4.627 4.340 0.006 0.000 0.315 73 Q C 0.171 176.129 176.000 -0.069 0.000 1.081 73 Q CA 0.542 56.315 55.803 -0.049 0.000 0.981 73 Q CB 0.390 29.106 28.738 -0.036 0.000 1.184 73 Q HN 0.301 nan 8.270 nan 0.000 0.389 74 K N 2.279 122.641 120.400 -0.063 0.000 2.118 74 K HA 0.476 4.799 4.320 0.006 0.000 0.264 74 K C -1.041 175.519 176.600 -0.068 0.000 1.000 74 K CA -0.503 55.735 56.287 -0.081 0.000 0.929 74 K CB 1.679 34.142 32.500 -0.061 0.000 1.021 74 K HN 0.433 nan 8.250 nan 0.000 0.463 75 V N 3.502 123.362 119.914 -0.090 0.000 2.733 75 V HA 0.388 4.511 4.120 0.006 0.000 0.306 75 V C -0.637 175.475 176.094 0.030 0.000 1.084 75 V CA -0.907 61.372 62.300 -0.035 0.000 0.905 75 V CB 2.046 33.835 31.823 -0.055 0.000 1.010 75 V HN 0.531 nan 8.190 nan 0.000 0.424 76 L N 2.740 124.015 121.223 0.087 0.000 2.334 76 L HA 0.604 4.947 4.340 0.006 0.000 0.276 76 L C -0.363 176.603 176.870 0.160 0.000 1.014 76 L CA -0.682 54.239 54.840 0.136 0.000 0.815 76 L CB 1.781 43.883 42.059 0.070 0.000 1.268 76 L HN 0.553 nan 8.230 nan 0.000 0.428 77 D N 0.773 121.277 120.400 0.174 0.000 2.390 77 D HA 0.029 4.672 4.640 0.006 0.000 0.249 77 D C 0.993 177.309 176.300 0.027 0.000 1.144 77 D CA 0.044 54.080 54.000 0.060 0.000 0.880 77 D CB 1.500 42.272 40.800 -0.047 0.000 1.182 77 D HN 0.567 nan 8.370 nan 0.000 0.451 78 S N 2.448 118.155 115.700 0.012 0.000 2.528 78 S HA 0.185 4.659 4.470 0.006 0.000 0.219 78 S C 1.630 176.219 174.600 -0.018 0.000 0.985 78 S CA 0.555 58.752 58.200 -0.004 0.000 0.914 78 S CB -0.020 63.177 63.200 -0.006 0.000 0.776 78 S HN 0.906 nan 8.310 nan 0.000 0.526 79 G N 0.256 109.042 108.800 -0.023 0.000 2.176 79 G HA2 0.097 4.061 3.960 0.006 0.000 0.253 79 G HA3 0.097 4.061 3.960 0.006 0.000 0.253 79 G C 0.155 175.040 174.900 -0.025 0.000 0.979 79 G CA -0.146 44.937 45.100 -0.029 0.000 0.641 79 G HN 1.583 nan 8.290 nan 0.000 0.530 80 A N -1.012 121.797 122.820 -0.018 0.000 2.599 80 A HA 0.909 5.232 4.320 0.006 0.000 0.290 80 A C -2.969 174.621 177.584 0.010 0.000 1.101 80 A CA -0.674 51.358 52.037 -0.007 0.000 0.674 80 A CB 1.018 20.014 19.000 -0.008 0.000 1.277 80 A HN 0.108 nan 8.150 nan 0.000 0.419 81 P HA 0.315 nan 4.420 nan 0.000 0.272 81 P C -0.265 177.083 177.300 0.079 0.000 1.254 81 P CA -0.203 62.944 63.100 0.078 0.000 0.795 81 P CB 0.166 31.953 31.700 0.145 0.000 1.022 82 I N 0.731 121.364 120.570 0.105 0.000 2.906 82 I HA -0.125 4.048 4.170 0.006 0.000 0.301 82 I C 1.157 177.310 176.117 0.060 0.000 1.221 82 I CA 1.119 62.460 61.300 0.069 0.000 1.435 82 I CB -0.223 37.815 38.000 0.063 0.000 1.345 82 I HN 0.164 nan 8.210 nan 0.000 0.558 83 R N 7.169 127.701 120.500 0.054 0.000 2.670 83 R HA 0.797 5.140 4.340 0.006 0.000 0.289 83 R C -0.809 175.589 176.300 0.162 0.000 0.965 83 R CA -0.838 55.317 56.100 0.091 0.000 0.899 83 R CB 2.228 32.568 30.300 0.067 0.000 1.173 83 R HN 0.611 nan 8.270 nan 0.000 0.456 84 I N -1.832 118.858 120.570 0.200 0.000 2.969 84 I HA 0.608 4.781 4.170 0.006 0.000 0.307 84 I C -2.737 173.400 176.117 0.033 0.000 1.149 84 I CA -3.311 58.082 61.300 0.155 0.000 1.008 84 I CB 2.545 40.558 38.000 0.022 0.000 1.232 84 I HN 0.304 nan 8.210 nan 0.000 0.435 85 P HA 0.159 nan 4.420 nan 0.000 0.267 85 P C -0.625 176.405 177.300 -0.450 0.000 1.209 85 P CA -0.072 62.672 63.100 -0.594 0.000 0.763 85 P CB 0.751 32.198 31.700 -0.420 0.000 0.816 86 V N 0.835 120.398 119.914 -0.586 0.000 2.864 86 V HA 1.023 5.146 4.120 0.006 0.000 0.314 86 V C 0.171 175.682 176.094 -0.973 0.000 1.073 86 V CA -0.121 61.763 62.300 -0.693 0.000 0.956 86 V CB 1.392 32.828 31.823 -0.645 0.000 1.023 86 V HN 0.924 nan 8.190 nan 0.000 0.435 87 G N 3.330 111.490 108.800 -1.067 0.000 2.343 87 G HA2 0.076 4.040 3.960 0.006 0.000 0.562 87 G HA3 0.076 4.040 3.960 0.006 0.000 0.562 87 G C -2.605 172.142 174.900 -0.256 0.000 1.269 87 G CA -0.050 44.523 45.100 -0.880 0.000 1.011 87 G HN 0.609 nan 8.290 nan 0.000 0.498 88 P HA -0.034 nan 4.420 nan 0.000 0.218 88 P C 1.414 178.697 177.300 -0.028 0.000 1.146 88 P CA 1.884 65.009 63.100 0.042 0.000 0.813 88 P CB 0.068 31.805 31.700 0.061 0.000 0.778 89 E N -1.040 119.111 120.200 -0.082 0.000 2.476 89 E HA -0.014 4.340 4.350 0.006 0.000 0.191 89 E C 1.021 177.576 176.600 -0.075 0.000 1.064 89 E CA 0.916 57.272 56.400 -0.074 0.000 0.866 89 E CB -1.138 28.513 29.700 -0.081 0.000 0.952 89 E HN 0.342 nan 8.360 nan 0.000 0.492 90 T N -1.333 113.175 114.554 -0.078 0.000 3.067 90 T HA 0.147 4.501 4.350 0.006 0.000 0.257 90 T C 1.075 175.789 174.700 0.023 0.000 1.105 90 T CA -0.242 61.830 62.100 -0.046 0.000 1.104 90 T CB -0.208 68.612 68.868 -0.080 0.000 0.925 90 T HN 0.024 nan 8.240 nan 0.000 0.498 91 L N 2.016 123.253 121.223 0.024 0.000 2.410 91 L HA 0.479 4.823 4.340 0.006 0.000 0.273 91 L C 1.608 178.497 176.870 0.032 0.000 1.144 91 L CA 0.818 55.665 54.840 0.011 0.000 0.863 91 L CB 0.377 42.380 42.059 -0.094 0.000 1.140 91 L HN 0.550 nan 8.230 nan 0.000 0.463 92 G N 1.988 110.829 108.800 0.068 0.000 2.199 92 G HA2 -0.206 3.757 3.960 0.006 0.000 0.254 92 G HA3 -0.206 3.757 3.960 0.006 0.000 0.254 92 G C 0.358 175.337 174.900 0.132 0.000 0.982 92 G CA -0.470 44.691 45.100 0.101 0.000 0.632 92 G HN 0.447 nan 8.290 nan 0.000 0.529 93 R N 0.104 120.655 120.500 0.086 0.000 2.532 93 R HA 0.734 5.078 4.340 0.006 0.000 0.272 93 R C 0.431 176.757 176.300 0.044 0.000 1.032 93 R CA -0.863 55.271 56.100 0.056 0.000 1.089 93 R CB 0.586 30.897 30.300 0.018 0.000 1.098 93 R HN 0.360 nan 8.270 nan 0.000 0.526 94 I N 3.116 123.673 120.570 -0.023 0.000 2.378 94 I HA 0.398 4.571 4.170 0.006 0.000 0.291 94 I C 0.442 176.557 176.117 -0.003 0.000 0.992 94 I CA -0.664 60.625 61.300 -0.017 0.000 1.154 94 I CB 1.294 39.201 38.000 -0.155 0.000 1.315 94 I HN 0.382 nan 8.210 nan 0.000 0.448 95 M N 4.204 123.825 119.600 0.035 0.000 2.662 95 M HA 0.610 5.094 4.480 0.006 0.000 0.310 95 M C -0.840 175.487 176.300 0.046 0.000 1.204 95 M CA -0.771 54.542 55.300 0.022 0.000 0.891 95 M CB 1.971 34.572 32.600 0.002 0.000 1.732 95 M HN 0.507 nan 8.290 nan 0.000 0.467 96 N N 0.983 119.703 118.700 0.034 0.000 2.566 96 N HA 0.343 5.086 4.740 0.006 0.000 0.299 96 N C 0.888 176.414 175.510 0.026 0.000 1.277 96 N CA -0.340 52.735 53.050 0.042 0.000 0.965 96 N CB -0.267 38.240 38.487 0.033 0.000 1.142 96 N HN 0.701 nan 8.380 nan 0.000 0.596 97 V N -1.417 118.512 119.914 0.025 0.000 2.278 97 V HA -0.253 3.870 4.120 0.006 0.000 0.251 97 V C 1.852 177.952 176.094 0.011 0.000 1.062 97 V CA 2.356 64.664 62.300 0.013 0.000 1.038 97 V CB -1.404 30.431 31.823 0.019 0.000 0.646 97 V HN 0.761 nan 8.190 nan 0.000 0.447 98 I N -1.864 118.718 120.570 0.020 0.000 3.861 98 I HA 0.684 4.857 4.170 0.006 0.000 0.329 98 I C 1.383 177.522 176.117 0.037 0.000 1.321 98 I CA 0.512 61.828 61.300 0.027 0.000 1.126 98 I CB -0.115 37.903 38.000 0.029 0.000 1.018 98 I HN 0.435 nan 8.210 nan 0.000 0.407 99 G N 1.125 109.941 108.800 0.027 0.000 2.157 99 G HA2 -0.251 3.712 3.960 0.006 0.000 0.248 99 G HA3 -0.251 3.712 3.960 0.006 0.000 0.248 99 G C -0.104 174.816 174.900 0.034 0.000 0.979 99 G CA -0.045 45.072 45.100 0.029 0.000 0.650 99 G HN 0.638 nan 8.290 nan 0.000 0.529 100 E N 2.020 122.238 120.200 0.030 0.000 2.338 100 E HA 0.320 4.674 4.350 0.006 0.000 0.272 100 E C -2.059 174.548 176.600 0.011 0.000 1.029 100 E CA -1.603 54.812 56.400 0.025 0.000 0.872 100 E CB 1.031 30.744 29.700 0.021 0.000 1.015 100 E HN 0.212 nan 8.360 nan 0.000 0.417 101 P HA -0.038 nan 4.420 nan 0.000 0.267 101 P C 0.043 177.333 177.300 -0.016 0.000 1.205 101 P CA 0.646 63.741 63.100 -0.008 0.000 0.765 101 P CB 0.237 31.935 31.700 -0.004 0.000 0.828 102 I N -0.458 120.090 120.570 -0.036 0.000 3.833 102 I HA 0.247 4.421 4.170 0.006 0.000 0.328 102 I C 0.221 176.275 176.117 -0.104 0.000 1.554 102 I CA -0.324 60.944 61.300 -0.054 0.000 1.116 102 I CB 0.057 38.030 38.000 -0.045 0.000 1.182 102 I HN 0.033 nan 8.210 nan 0.000 0.459 103 D N 0.312 120.651 120.400 -0.102 0.000 2.398 103 D HA 0.027 4.670 4.640 0.006 0.000 0.210 103 D C 0.522 176.797 176.300 -0.041 0.000 1.094 103 D CA -0.067 53.852 54.000 -0.136 0.000 0.839 103 D CB -0.062 40.633 40.800 -0.175 0.000 0.963 103 D HN 0.462 nan 8.370 nan 0.000 0.506 104 E N -0.429 119.757 120.200 -0.022 0.000 2.868 104 E HA -0.229 4.124 4.350 0.006 0.000 0.278 104 E C 0.301 176.911 176.600 0.017 0.000 1.009 104 E CA 0.281 56.681 56.400 0.001 0.000 0.856 104 E CB -1.157 28.548 29.700 0.008 0.000 1.428 104 E HN 0.404 nan 8.360 nan 0.000 0.423 105 R N 0.011 120.521 120.500 0.017 0.000 2.468 105 R HA 0.279 4.622 4.340 0.006 0.000 0.280 105 R C 0.911 177.223 176.300 0.019 0.000 0.963 105 R CA 0.378 56.495 56.100 0.027 0.000 1.083 105 R CB 1.153 31.479 30.300 0.043 0.000 1.200 105 R HN 0.291 nan 8.270 nan 0.000 0.541 106 G N 2.083 110.891 108.800 0.013 0.000 2.725 106 G HA2 -0.230 3.734 3.960 0.006 0.000 0.220 106 G HA3 -0.230 3.734 3.960 0.006 0.000 0.220 106 G C -2.494 172.413 174.900 0.012 0.000 1.357 106 G CA -1.222 43.886 45.100 0.013 0.000 0.866 106 G HN 0.033 nan 8.290 nan 0.000 0.548 107 P HA 0.352 nan 4.420 nan 0.000 0.266 107 P C 0.131 177.435 177.300 0.007 0.000 1.193 107 P CA 0.027 63.138 63.100 0.018 0.000 0.770 107 P CB 0.299 32.015 31.700 0.025 0.000 0.836 108 I N 3.046 123.615 120.570 -0.001 0.000 2.310 108 I HA 0.122 4.296 4.170 0.006 0.000 0.287 108 I C 0.972 177.058 176.117 -0.051 0.000 1.073 108 I CA -0.512 60.765 61.300 -0.038 0.000 1.216 108 I CB 0.192 38.153 38.000 -0.066 0.000 1.415 108 I HN 0.175 nan 8.210 nan 0.000 0.480 109 K N 5.077 125.452 120.400 -0.041 0.000 2.180 109 K HA 0.289 4.612 4.320 0.006 0.000 0.250 109 K C -0.170 176.380 176.600 -0.084 0.000 1.135 109 K CA -0.407 55.862 56.287 -0.029 0.000 1.037 109 K CB -0.221 32.280 32.500 0.002 0.000 1.624 109 K HN 0.488 nan 8.250 nan 0.000 0.382 110 T N -0.434 114.010 114.554 -0.184 0.000 2.918 110 T HA 0.257 4.611 4.350 0.006 0.000 0.283 110 T C 0.831 175.436 174.700 -0.158 0.000 1.001 110 T CA -0.943 61.002 62.100 -0.258 0.000 1.041 110 T CB 1.788 70.352 68.868 -0.506 0.000 1.028 110 T HN 0.423 nan 8.240 nan 0.000 0.511 111 K N 0.283 120.612 120.400 -0.119 0.000 2.243 111 K HA 0.064 4.387 4.320 0.006 0.000 0.201 111 K C 0.198 176.795 176.600 -0.005 0.000 1.051 111 K CA 0.622 56.896 56.287 -0.022 0.000 0.970 111 K CB 0.041 32.537 32.500 -0.006 0.000 0.755 111 K HN 0.546 nan 8.250 nan 0.000 0.465 112 Q N -0.109 119.598 119.800 -0.155 0.000 2.365 112 Q HA 0.475 4.818 4.340 0.006 0.000 0.269 112 Q C -1.047 174.753 176.000 -0.332 0.000 1.061 112 Q CA -0.500 55.234 55.803 -0.113 0.000 0.816 112 Q CB 1.491 30.163 28.738 -0.109 0.000 1.325 112 Q HN -0.094 nan 8.270 nan 0.000 0.446 113 F N 0.338 120.234 119.950 -0.089 0.000 2.575 113 F HA 0.919 5.448 4.527 0.004 0.000 0.330 113 F C -0.284 175.479 175.800 -0.063 0.000 1.056 113 F CA -0.994 56.953 58.000 -0.088 0.000 0.964 113 F CB 1.976 40.942 39.000 -0.057 0.000 1.258 113 F HN 0.599 nan 8.300 nan 0.000 0.484 114 A N 0.702 123.601 122.820 0.132 0.000 2.517 114 A HA 0.778 5.102 4.320 0.006 0.000 0.297 114 A C -1.283 176.338 177.584 0.063 0.000 1.050 114 A CA -0.638 51.440 52.037 0.070 0.000 0.694 114 A CB 0.815 19.827 19.000 0.019 0.000 1.277 114 A HN 1.060 nan 8.150 nan 0.000 0.400 115 A N 1.421 124.276 122.820 0.058 0.000 2.425 115 A HA 0.490 4.814 4.320 0.006 0.000 0.249 115 A C 1.082 178.675 177.584 0.015 0.000 1.084 115 A CA 0.205 52.275 52.037 0.054 0.000 0.781 115 A CB -0.336 18.707 19.000 0.072 0.000 1.019 115 A HN 1.778 nan 8.150 nan 0.000 0.490 116 I N -0.861 119.692 120.570 -0.029 0.000 3.291 116 I HA 0.087 4.261 4.170 0.006 0.000 0.279 116 I C 0.113 176.067 176.117 -0.273 0.000 1.294 116 I CA 0.294 61.503 61.300 -0.152 0.000 1.428 116 I CB -0.342 37.534 38.000 -0.206 0.000 1.070 116 I HN 0.485 nan 8.210 nan 0.000 0.478 117 H N 2.266 121.336 119.070 0.000 0.000 2.457 117 H HA 0.832 5.391 4.556 0.005 0.000 0.335 117 H C -0.545 174.780 175.328 -0.004 0.000 1.115 117 H CA -0.301 55.746 56.048 -0.002 0.000 1.219 117 H CB 1.899 31.663 29.762 0.003 0.000 1.471 117 H HN 0.365 nan 8.280 nan 0.000 0.491 118 A N 2.634 125.515 122.820 0.102 0.000 2.608 118 A HA 0.302 4.626 4.320 0.006 0.000 0.292 118 A C -0.676 176.933 177.584 0.042 0.000 1.066 118 A CA -0.845 51.224 52.037 0.054 0.000 0.676 118 A CB 1.637 20.651 19.000 0.023 0.000 1.277 118 A HN 0.694 nan 8.150 nan 0.000 0.413 119 E N 0.657 120.874 120.200 0.030 0.000 2.373 119 E HA 0.470 4.823 4.350 0.006 0.000 0.263 119 E C 0.496 177.105 176.600 0.015 0.000 1.073 119 E CA -0.065 56.350 56.400 0.024 0.000 0.894 119 E CB 1.364 31.076 29.700 0.021 0.000 1.008 119 E HN 0.863 nan 8.360 nan 0.000 0.420 120 A N 3.959 126.788 122.820 0.015 0.000 2.445 120 A HA 0.217 4.541 4.320 0.006 0.000 0.242 120 A C -2.125 175.467 177.584 0.014 0.000 1.075 120 A CA -1.101 50.942 52.037 0.009 0.000 0.777 120 A CB -0.381 18.629 19.000 0.016 0.000 1.013 120 A HN 0.339 nan 8.150 nan 0.000 0.493 121 P HA 0.044 nan 4.420 nan 0.000 0.263 121 P C -0.122 177.195 177.300 0.027 0.000 1.175 121 P CA 0.295 63.399 63.100 0.007 0.000 0.761 121 P CB 0.363 32.058 31.700 -0.008 0.000 0.794 122 E N 1.683 121.903 120.200 0.033 0.000 2.409 122 E HA -0.025 4.328 4.350 0.006 0.000 0.257 122 E C 0.895 177.550 176.600 0.091 0.000 1.150 122 E CA -0.215 56.228 56.400 0.071 0.000 0.942 122 E CB 0.003 29.742 29.700 0.066 0.000 0.979 122 E HN 0.406 nan 8.360 nan 0.000 0.447 123 F N 2.136 122.086 119.950 0.001 0.000 2.154 123 F HA -0.266 4.264 4.527 0.006 0.000 0.301 123 F C 1.827 177.626 175.800 -0.001 0.000 1.087 123 F CA 1.964 59.965 58.000 0.001 0.000 1.274 123 F CB -0.230 38.771 39.000 0.001 0.000 1.009 123 F HN 0.281 nan 8.300 nan 0.000 0.485 124 V N -1.995 117.906 119.914 -0.021 0.000 2.759 124 V HA -0.179 3.944 4.120 0.006 0.000 0.256 124 V C 1.577 177.590 176.094 -0.136 0.000 1.080 124 V CA 1.938 64.175 62.300 -0.105 0.000 1.101 124 V CB -1.081 30.750 31.823 0.013 0.000 0.698 124 V HN 0.441 nan 8.190 nan 0.000 0.477 125 E N 0.074 120.214 120.200 -0.101 0.000 2.489 125 E HA 0.155 4.508 4.350 0.006 0.000 0.193 125 E C 0.541 177.074 176.600 -0.111 0.000 1.057 125 E CA -0.193 56.158 56.400 -0.083 0.000 0.866 125 E CB -0.012 29.661 29.700 -0.045 0.000 0.916 125 E HN 0.468 nan 8.360 nan 0.000 0.500 126 M N 1.097 120.586 119.600 -0.184 0.000 2.238 126 M HA 0.078 4.561 4.480 0.006 0.000 0.347 126 M C 0.431 176.642 176.300 -0.149 0.000 1.173 126 M CA 0.159 55.353 55.300 -0.176 0.000 1.147 126 M CB 1.004 33.451 32.600 -0.255 0.000 1.547 126 M HN -0.148 nan 8.290 nan 0.000 0.455 127 S N 1.668 117.308 115.700 -0.100 0.000 2.525 127 S HA 0.532 5.005 4.470 0.006 0.000 0.290 127 S C 0.503 175.061 174.600 -0.070 0.000 1.152 127 S CA -0.824 57.330 58.200 -0.077 0.000 1.072 127 S CB 0.848 64.016 63.200 -0.053 0.000 1.027 127 S HN 0.589 nan 8.310 nan 0.000 0.500 128 V N 0.845 120.723 119.914 -0.061 0.000 3.427 128 V HA 0.511 4.635 4.120 0.006 0.000 0.305 128 V C 0.108 176.185 176.094 -0.028 0.000 1.412 128 V CA -0.388 61.885 62.300 -0.045 0.000 1.086 128 V CB -0.260 31.534 31.823 -0.048 0.000 0.964 128 V HN 0.648 nan 8.190 nan 0.000 0.439 129 E N 1.995 122.179 120.200 -0.027 0.000 2.354 129 E HA 0.490 4.843 4.350 0.006 0.000 0.269 129 E C -0.580 176.014 176.600 -0.010 0.000 1.036 129 E CA 0.302 56.691 56.400 -0.017 0.000 0.876 129 E CB 1.216 30.906 29.700 -0.017 0.000 1.009 129 E HN 0.660 nan 8.360 nan 0.000 0.416 130 Q N 1.588 121.386 119.800 -0.004 0.000 2.274 130 Q HA 0.394 4.737 4.340 0.006 0.000 0.268 130 Q C -0.945 175.061 176.000 0.009 0.000 1.015 130 Q CA -0.324 55.481 55.803 0.004 0.000 0.775 130 Q CB 2.386 31.126 28.738 0.003 0.000 1.256 130 Q HN 0.401 nan 8.270 nan 0.000 0.442 131 E N 3.066 123.277 120.200 0.019 0.000 2.291 131 E HA 0.318 4.671 4.350 0.006 0.000 0.276 131 E C -1.239 175.386 176.600 0.041 0.000 0.896 131 E CA -0.608 55.807 56.400 0.025 0.000 0.774 131 E CB 1.979 31.692 29.700 0.022 0.000 1.227 131 E HN 0.633 nan 8.360 nan 0.000 0.413 132 I N 4.319 124.918 120.570 0.048 0.000 2.710 132 I HA -0.027 4.146 4.170 0.006 0.000 0.286 132 I C -0.650 175.514 176.117 0.078 0.000 1.181 132 I CA 0.064 61.405 61.300 0.068 0.000 1.430 132 I CB 0.376 38.421 38.000 0.075 0.000 1.367 132 I HN 0.463 nan 8.210 nan 0.000 0.577 133 L N 8.878 130.163 121.223 0.104 0.000 2.277 133 L HA 0.382 4.726 4.340 0.006 0.000 0.284 133 L C -0.723 176.208 176.870 0.102 0.000 1.028 133 L CA -0.293 54.614 54.840 0.111 0.000 0.835 133 L CB 1.230 43.375 42.059 0.143 0.000 1.215 133 L HN 0.300 nan 8.230 nan 0.000 0.425 134 V N 4.468 124.427 119.914 0.076 0.000 2.488 134 V HA 0.217 4.340 4.120 0.006 0.000 0.277 134 V C 1.360 177.479 176.094 0.042 0.000 1.046 134 V CA 0.536 62.866 62.300 0.050 0.000 0.986 134 V CB 0.988 32.840 31.823 0.049 0.000 0.989 134 V HN 0.942 nan 8.190 nan 0.000 0.475 135 T N 0.011 114.568 114.554 0.004 0.000 3.015 135 T HA 0.257 4.611 4.350 0.006 0.000 0.250 135 T C 1.412 176.102 174.700 -0.016 0.000 1.057 135 T CA 0.749 62.850 62.100 0.003 0.000 1.066 135 T CB 0.428 69.272 68.868 -0.040 0.000 0.959 135 T HN 1.505 nan 8.240 nan 0.000 0.488 136 G N 1.655 110.447 108.800 -0.013 0.000 2.143 136 G HA2 -0.195 3.769 3.960 0.006 0.000 0.249 136 G HA3 -0.195 3.769 3.960 0.006 0.000 0.249 136 G C -0.025 174.873 174.900 -0.003 0.000 0.981 136 G CA 0.165 45.261 45.100 -0.007 0.000 0.665 136 G HN 0.672 nan 8.290 nan 0.000 0.528 137 I N 0.787 121.350 120.570 -0.011 0.000 2.307 137 I HA 0.248 4.422 4.170 0.006 0.000 0.289 137 I C 1.631 177.762 176.117 0.023 0.000 1.021 137 I CA -0.825 60.502 61.300 0.044 0.000 1.224 137 I CB 1.220 39.257 38.000 0.063 0.000 1.376 137 I HN -0.007 nan 8.210 nan 0.000 0.470 138 K N 3.577 123.998 120.400 0.036 0.000 2.030 138 K HA -0.259 4.064 4.320 0.006 0.000 0.222 138 K C 1.869 178.475 176.600 0.010 0.000 1.056 138 K CA 2.400 58.714 56.287 0.046 0.000 0.957 138 K CB -0.369 32.146 32.500 0.025 0.000 0.727 138 K HN 0.651 nan 8.250 nan 0.000 0.452 139 V N -0.138 119.778 119.914 0.004 0.000 2.252 139 V HA -0.259 3.864 4.120 0.006 0.000 0.249 139 V C 2.323 178.382 176.094 -0.059 0.000 1.056 139 V CA 2.021 64.296 62.300 -0.042 0.000 1.022 139 V CB -1.074 30.753 31.823 0.006 0.000 0.641 139 V HN 0.097 nan 8.190 nan 0.000 0.445 140 V N 0.793 120.668 119.914 -0.066 0.000 2.237 140 V HA -0.241 3.882 4.120 0.006 0.000 0.245 140 V C 2.537 178.540 176.094 -0.151 0.000 1.046 140 V CA 2.525 64.723 62.300 -0.170 0.000 1.007 140 V CB -0.892 30.697 31.823 -0.390 0.000 0.638 140 V HN 0.501 nan 8.190 nan 0.000 0.445 141 D N -0.322 120.008 120.400 -0.117 0.000 2.149 141 D HA -0.146 4.497 4.640 0.006 0.000 0.198 141 D C 1.881 178.213 176.300 0.053 0.000 0.990 141 D CA 1.237 55.217 54.000 -0.034 0.000 0.839 141 D CB -0.230 40.553 40.800 -0.028 0.000 0.948 141 D HN 0.344 nan 8.370 nan 0.000 0.460 142 L N -0.059 121.147 121.223 -0.028 0.000 1.993 142 L HA -0.015 4.328 4.340 0.006 0.000 0.206 142 L C 2.054 178.981 176.870 0.095 0.000 1.074 142 L CA 1.445 56.258 54.840 -0.047 0.000 0.746 142 L CB -0.289 41.622 42.059 -0.248 0.000 0.896 142 L HN -0.022 nan 8.230 nan 0.000 0.435 143 L N -0.918 120.291 121.223 -0.024 0.000 2.416 143 L HA 0.271 4.614 4.340 0.006 0.000 0.216 143 L C 0.619 177.498 176.870 0.014 0.000 1.098 143 L CA 0.520 55.343 54.840 -0.030 0.000 0.840 143 L CB -0.142 41.870 42.059 -0.079 0.000 0.981 143 L HN 0.357 nan 8.230 nan 0.000 0.462 144 A N 0.363 123.201 122.820 0.029 0.000 3.399 144 A HA 0.392 4.715 4.320 0.006 0.000 0.262 144 A C -2.667 174.954 177.584 0.062 0.000 1.145 144 A CA -0.731 51.345 52.037 0.064 0.000 0.916 144 A CB -0.154 18.904 19.000 0.096 0.000 1.360 144 A HN -0.167 nan 8.150 nan 0.000 0.628 145 P HA 0.114 nan 4.420 nan 0.000 0.268 145 P C -0.530 176.873 177.300 0.172 0.000 1.205 145 P CA 0.570 63.693 63.100 0.037 0.000 0.771 145 P CB 0.378 32.121 31.700 0.072 0.000 0.858 146 Y N 0.393 120.729 120.300 0.060 0.000 2.316 146 Y HA 0.475 5.028 4.550 0.006 0.000 0.324 146 Y C 1.079 176.998 175.900 0.031 0.000 1.267 146 Y CA -1.320 56.806 58.100 0.042 0.000 1.311 146 Y CB 1.084 39.566 38.460 0.037 0.000 1.267 146 Y HN 0.378 nan 8.280 nan 0.000 0.516 147 A N 2.303 125.232 122.820 0.182 0.000 2.350 147 A HA 0.400 4.723 4.320 0.006 0.000 0.324 147 A C -0.902 176.716 177.584 0.056 0.000 1.118 147 A CA -1.115 50.978 52.037 0.093 0.000 0.783 147 A CB 0.857 19.892 19.000 0.058 0.000 1.236 147 A HN 0.679 nan 8.150 nan 0.000 0.457 148 K N 0.876 121.304 120.400 0.047 0.000 2.472 148 K HA 0.257 4.581 4.320 0.006 0.000 0.280 148 K C 1.133 177.735 176.600 0.003 0.000 1.028 148 K CA 1.221 57.525 56.287 0.028 0.000 1.045 148 K CB 0.243 32.763 32.500 0.033 0.000 0.902 148 K HN 1.614 nan 8.250 nan 0.000 0.478 149 G N 2.318 111.107 108.800 -0.018 0.000 2.155 149 G HA2 -0.264 3.699 3.960 0.006 0.000 0.257 149 G HA3 -0.264 3.699 3.960 0.006 0.000 0.257 149 G C 0.483 175.356 174.900 -0.046 0.000 0.983 149 G CA 0.238 45.318 45.100 -0.034 0.000 0.676 149 G HN 0.850 nan 8.290 nan 0.000 0.528 150 G N -0.867 107.904 108.800 -0.049 0.000 2.511 150 G HA2 0.613 4.576 3.960 0.006 0.000 0.316 150 G HA3 0.613 4.576 3.960 0.006 0.000 0.316 150 G C -0.266 174.575 174.900 -0.099 0.000 1.210 150 G CA -0.778 44.291 45.100 -0.050 0.000 0.969 150 G HN 0.336 nan 8.290 nan 0.000 0.492 151 K N 0.160 120.509 120.400 -0.085 0.000 2.293 151 K HA 0.423 4.746 4.320 0.006 0.000 0.267 151 K C -1.085 175.432 176.600 -0.139 0.000 1.010 151 K CA -0.296 55.922 56.287 -0.114 0.000 0.875 151 K CB 1.823 34.287 32.500 -0.060 0.000 1.106 151 K HN 0.210 nan 8.250 nan 0.000 0.450 152 I N 1.372 121.794 120.570 -0.247 0.000 2.441 152 I HA 0.360 4.533 4.170 0.006 0.000 0.295 152 I C 0.402 176.371 176.117 -0.246 0.000 0.994 152 I CA -0.369 60.727 61.300 -0.340 0.000 1.144 152 I CB 2.110 39.660 38.000 -0.751 0.000 1.314 152 I HN 0.597 nan 8.210 nan 0.000 0.445 153 G N 6.397 115.102 108.800 -0.158 0.000 2.590 153 G HA2 0.728 4.692 3.960 0.006 0.000 0.310 153 G HA3 0.728 4.692 3.960 0.006 0.000 0.310 153 G C -1.121 173.702 174.900 -0.129 0.000 1.347 153 G CA -0.557 44.408 45.100 -0.224 0.000 0.963 153 G HN 0.452 nan 8.290 nan 0.000 0.494 154 L N 2.008 123.115 121.223 -0.193 0.000 2.295 154 L HA 0.459 4.802 4.340 0.006 0.000 0.281 154 L C -0.921 175.883 176.870 -0.109 0.000 1.018 154 L CA -0.609 54.223 54.840 -0.013 0.000 0.841 154 L CB 1.039 43.129 42.059 0.052 0.000 1.218 154 L HN 0.322 nan 8.230 nan 0.000 0.424 155 F N 1.442 121.395 119.950 0.005 0.000 2.404 155 F HA 0.752 5.282 4.527 0.006 0.000 0.345 155 F C 0.958 176.751 175.800 -0.012 0.000 1.110 155 F CA -0.270 57.708 58.000 -0.036 0.000 1.130 155 F CB 1.986 40.953 39.000 -0.055 0.000 1.129 155 F HN 0.450 nan 8.300 nan 0.000 0.500 156 G N 1.257 110.119 108.800 0.103 0.000 2.702 156 G HA2 0.483 4.446 3.960 0.006 0.000 0.296 156 G HA3 0.483 4.446 3.960 0.006 0.000 0.296 156 G C -0.628 174.204 174.900 -0.113 0.000 1.463 156 G CA -0.519 44.603 45.100 0.037 0.000 0.890 156 G HN 0.908 nan 8.290 nan 0.000 0.534 157 G N -0.296 108.420 108.800 -0.140 0.000 2.716 157 G HA2 0.602 4.565 3.960 0.006 0.000 0.251 157 G HA3 0.602 4.565 3.960 0.006 0.000 0.251 157 G C 0.850 175.690 174.900 -0.101 0.000 1.224 157 G CA 0.459 45.406 45.100 -0.255 0.000 0.891 157 G HN 1.687 nan 8.290 nan 0.000 0.561 158 A N -0.815 122.003 122.820 -0.003 0.000 2.548 158 A HA 0.511 4.834 4.320 0.006 0.000 0.247 158 A C 1.603 179.261 177.584 0.123 0.000 1.067 158 A CA 1.166 53.348 52.037 0.242 0.000 0.757 158 A CB -0.595 18.591 19.000 0.310 0.000 0.996 158 A HN 2.620 nan 8.150 nan 0.000 0.504 159 G N 0.748 109.620 108.800 0.121 0.000 2.143 159 G HA2 -0.177 3.786 3.960 0.006 0.000 0.248 159 G HA3 -0.177 3.786 3.960 0.006 0.000 0.248 159 G C 0.732 175.676 174.900 0.074 0.000 0.991 159 G CA 0.811 45.956 45.100 0.075 0.000 0.689 159 G HN 2.184 nan 8.290 nan 0.000 0.522 160 V N -3.352 116.615 119.914 0.088 0.000 3.590 160 V HA 0.658 4.781 4.120 0.006 0.000 0.265 160 V C 1.674 177.864 176.094 0.160 0.000 1.239 160 V CA 1.427 63.792 62.300 0.109 0.000 1.117 160 V CB 0.375 32.238 31.823 0.067 0.000 0.818 160 V HN 2.077 nan 8.190 nan 0.000 0.451 161 G N 0.267 109.146 108.800 0.131 0.000 2.276 161 G HA2 -0.149 3.814 3.960 0.006 0.000 0.177 161 G HA3 -0.149 3.814 3.960 0.006 0.000 0.177 161 G C 0.583 175.576 174.900 0.155 0.000 1.017 161 G CA 0.141 45.328 45.100 0.146 0.000 0.750 161 G HN 0.424 nan 8.290 nan 0.000 0.506 162 K N 0.117 120.599 120.400 0.136 0.000 2.002 162 K HA -0.043 4.280 4.320 0.006 0.000 0.209 162 K C 2.475 179.162 176.600 0.145 0.000 1.048 162 K CA 1.922 58.291 56.287 0.137 0.000 0.930 162 K CB -0.307 32.264 32.500 0.118 0.000 0.714 162 K HN 0.248 nan 8.250 nan 0.000 0.438 163 T N 1.162 115.797 114.554 0.135 0.000 2.777 163 T HA -0.081 4.272 4.350 0.006 0.000 0.266 163 T C 2.083 176.865 174.700 0.136 0.000 1.040 163 T CA 0.972 63.156 62.100 0.141 0.000 1.141 163 T CB -0.173 68.772 68.868 0.129 0.000 0.868 163 T HN -0.063 nan 8.240 nan 0.000 0.444 164 V N 1.637 121.630 119.914 0.132 0.000 2.332 164 V HA -0.129 3.995 4.120 0.006 0.000 0.248 164 V C 2.388 178.615 176.094 0.222 0.000 1.055 164 V CA 1.365 63.763 62.300 0.163 0.000 1.038 164 V CB -0.600 31.312 31.823 0.148 0.000 0.651 164 V HN 0.332 nan 8.190 nan 0.000 0.450 165 L N -0.355 121.024 121.223 0.260 0.000 2.056 165 L HA -0.084 4.259 4.340 0.006 0.000 0.207 165 L C 2.099 179.061 176.870 0.154 0.000 1.078 165 L CA 1.733 56.739 54.840 0.278 0.000 0.749 165 L CB -0.526 41.725 42.059 0.320 0.000 0.901 165 L HN 0.240 nan 8.230 nan 0.000 0.433 166 I N -1.166 119.497 120.570 0.155 0.000 2.286 166 I HA -0.294 3.879 4.170 0.006 0.000 0.248 166 I C 2.011 178.153 176.117 0.042 0.000 1.115 166 I CA 0.944 62.331 61.300 0.144 0.000 1.392 166 I CB 0.053 38.165 38.000 0.186 0.000 1.065 166 I HN 0.302 nan 8.210 nan 0.000 0.418 167 M N -0.477 119.145 119.600 0.036 0.000 2.254 167 M HA -0.164 4.319 4.480 0.006 0.000 0.265 167 M C 2.091 178.346 176.300 -0.075 0.000 1.066 167 M CA 1.385 56.665 55.300 -0.034 0.000 1.123 167 M CB -1.355 31.247 32.600 0.004 0.000 1.388 167 M HN 0.145 nan 8.290 nan 0.000 0.425 168 E N 0.902 121.049 120.200 -0.089 0.000 2.106 168 E HA -0.077 4.277 4.350 0.006 0.000 0.192 168 E C 2.027 178.518 176.600 -0.181 0.000 0.984 168 E CA 1.087 57.346 56.400 -0.235 0.000 0.806 168 E CB -0.251 29.065 29.700 -0.640 0.000 0.750 168 E HN 0.482 nan 8.360 nan 0.000 0.458 169 L N -0.078 121.098 121.223 -0.079 0.000 2.156 169 L HA -0.064 4.280 4.340 0.006 0.000 0.208 169 L C 2.317 179.202 176.870 0.026 0.000 1.095 169 L CA 0.723 55.587 54.840 0.040 0.000 0.770 169 L CB -0.263 41.922 42.059 0.210 0.000 0.914 169 L HN 0.199 nan 8.230 nan 0.000 0.439 170 I N -0.164 120.313 120.570 -0.154 0.000 2.394 170 I HA -0.280 3.893 4.170 0.006 0.000 0.251 170 I C 2.194 178.240 176.117 -0.119 0.000 1.136 170 I CA 1.134 62.256 61.300 -0.295 0.000 1.425 170 I CB -0.308 37.384 38.000 -0.513 0.000 1.079 170 I HN 0.324 nan 8.210 nan 0.000 0.425 171 N N 1.145 119.786 118.700 -0.098 0.000 2.062 171 N HA -0.175 4.569 4.740 0.006 0.000 0.191 171 N C 1.567 177.056 175.510 -0.034 0.000 1.042 171 N CA 1.632 54.643 53.050 -0.065 0.000 0.845 171 N CB -0.003 38.436 38.487 -0.080 0.000 1.024 171 N HN 0.160 nan 8.380 nan 0.000 0.424 172 N N -1.017 117.661 118.700 -0.037 0.000 2.409 172 N HA 0.008 4.752 4.740 0.006 0.000 0.179 172 N C 1.072 176.602 175.510 0.033 0.000 1.032 172 N CA 0.496 53.538 53.050 -0.015 0.000 0.898 172 N CB 0.294 38.754 38.487 -0.045 0.000 0.971 172 N HN 0.134 nan 8.380 nan 0.000 0.441 173 V N -0.428 119.526 119.914 0.067 0.000 2.996 173 V HA 0.270 4.394 4.120 0.006 0.000 0.235 173 V C 1.937 178.109 176.094 0.129 0.000 1.205 173 V CA 0.900 63.266 62.300 0.110 0.000 1.225 173 V CB -0.264 31.648 31.823 0.148 0.000 0.995 173 V HN 0.151 nan 8.190 nan 0.000 0.484 174 A N -0.032 122.865 122.820 0.128 0.000 1.968 174 A HA -0.131 4.192 4.320 0.006 0.000 0.217 174 A C 2.107 179.764 177.584 0.122 0.000 1.169 174 A CA 1.532 53.648 52.037 0.132 0.000 0.638 174 A CB -0.303 18.758 19.000 0.101 0.000 0.812 174 A HN 0.483 nan 8.150 nan 0.000 0.446 175 K N -0.463 119.980 120.400 0.071 0.000 2.296 175 K HA 0.109 4.433 4.320 0.006 0.000 0.200 175 K C 1.086 177.725 176.600 0.065 0.000 1.048 175 K CA 0.764 57.084 56.287 0.054 0.000 0.966 175 K CB -0.052 32.461 32.500 0.021 0.000 0.754 175 K HN 0.372 nan 8.250 nan 0.000 0.466 176 A N 1.144 124.015 122.820 0.085 0.000 2.833 176 A HA 0.052 4.375 4.320 0.006 0.000 0.293 176 A C -0.727 176.930 177.584 0.122 0.000 1.338 176 A CA -0.281 51.803 52.037 0.077 0.000 0.959 176 A CB -0.316 18.721 19.000 0.061 0.000 1.094 176 A HN 0.207 nan 8.150 nan 0.000 0.569 177 H N -0.057 119.020 119.070 0.013 0.000 2.727 177 H HA 0.451 5.011 4.556 0.006 0.000 0.330 177 H C -0.280 175.030 175.328 -0.029 0.000 0.986 177 H CA -0.158 55.892 56.048 0.003 0.000 1.251 177 H CB 1.537 31.318 29.762 0.032 0.000 1.493 177 H HN 0.290 nan 8.280 nan 0.000 0.515 178 G N 2.707 111.226 108.800 -0.467 0.000 2.393 178 G HA2 0.502 4.465 3.960 0.006 0.000 0.311 178 G HA3 0.502 4.465 3.960 0.006 0.000 0.311 178 G C 0.044 174.527 174.900 -0.695 0.000 1.067 178 G CA 0.321 45.166 45.100 -0.425 0.000 1.000 178 G HN 0.884 nan 8.290 nan 0.000 0.422 179 G N 1.427 109.897 108.800 -0.550 0.000 2.359 179 G HA2 0.129 4.092 3.960 0.006 0.000 0.303 179 G HA3 0.129 4.092 3.960 0.006 0.000 0.303 179 G C -0.955 173.797 174.900 -0.247 0.000 1.293 179 G CA -1.132 43.643 45.100 -0.543 0.000 0.964 179 G HN 0.553 nan 8.290 nan 0.000 0.531 180 Y N -0.121 120.165 120.300 -0.022 0.000 2.392 180 Y HA 0.707 5.260 4.550 0.004 0.000 0.323 180 Y C 1.010 176.906 175.900 -0.007 0.000 1.291 180 Y CA -0.363 57.646 58.100 -0.153 0.000 1.345 180 Y CB 2.115 40.157 38.460 -0.697 0.000 1.320 180 Y HN 0.553 nan 8.280 nan 0.000 0.518 181 S N 0.422 116.231 115.700 0.182 0.000 2.569 181 S HA 0.658 5.131 4.470 0.006 0.000 0.280 181 S C -1.398 173.327 174.600 0.208 0.000 1.111 181 S CA -0.835 57.478 58.200 0.188 0.000 0.887 181 S CB 2.028 65.383 63.200 0.258 0.000 1.095 181 S HN 0.312 nan 8.310 nan 0.000 0.476 182 V N 2.499 122.549 119.914 0.226 0.000 2.540 182 V HA 0.560 4.683 4.120 0.006 0.000 0.302 182 V C -1.212 175.036 176.094 0.258 0.000 1.035 182 V CA -0.682 61.748 62.300 0.215 0.000 0.873 182 V CB 1.411 33.329 31.823 0.157 0.000 0.992 182 V HN 0.861 nan 8.190 nan 0.000 0.428 183 F N 3.721 123.721 119.950 0.084 0.000 2.449 183 F HA 0.793 5.323 4.527 0.005 0.000 0.342 183 F C 0.219 175.921 175.800 -0.163 0.000 1.127 183 F CA -0.494 57.520 58.000 0.024 0.000 0.975 183 F CB 1.268 40.267 39.000 -0.001 0.000 1.146 183 F HN 0.581 nan 8.300 nan 0.000 0.444 184 A N 4.685 127.212 122.820 -0.487 0.000 2.267 184 A HA 0.634 4.957 4.320 0.006 0.000 0.315 184 A C -0.065 177.185 177.584 -0.557 0.000 1.297 184 A CA -0.398 51.389 52.037 -0.416 0.000 0.865 184 A CB 0.339 19.164 19.000 -0.292 0.000 1.165 184 A HN 1.010 nan 8.150 nan 0.000 0.513 185 G N 1.195 109.695 108.800 -0.500 0.000 2.338 185 G HA2 0.506 4.470 3.960 0.006 0.000 0.295 185 G HA3 0.506 4.470 3.960 0.006 0.000 0.295 185 G C -0.632 174.250 174.900 -0.030 0.000 1.132 185 G CA -0.148 44.866 45.100 -0.143 0.000 0.922 185 G HN 0.804 nan 8.290 nan 0.000 0.427 186 V N 2.481 122.400 119.914 0.009 0.000 2.409 186 V HA 0.597 4.720 4.120 0.006 0.000 0.290 186 V C 1.042 177.174 176.094 0.063 0.000 1.017 186 V CA 0.118 62.432 62.300 0.024 0.000 0.841 186 V CB 0.967 32.782 31.823 -0.012 0.000 1.003 186 V HN 1.389 nan 8.190 nan 0.000 0.426 187 G N 3.157 111.999 108.800 0.070 0.000 2.296 187 G HA2 -0.210 3.753 3.960 0.006 0.000 0.282 187 G HA3 -0.210 3.753 3.960 0.006 0.000 0.282 187 G C 0.257 175.198 174.900 0.069 0.000 1.014 187 G CA 0.747 45.883 45.100 0.059 0.000 0.812 187 G HN 0.605 nan 8.290 nan 0.000 0.508 188 E N -0.583 119.682 120.200 0.107 0.000 3.029 188 E HA 0.460 4.813 4.350 0.006 0.000 0.249 188 E C 1.008 177.671 176.600 0.104 0.000 1.089 188 E CA -0.854 55.613 56.400 0.111 0.000 1.089 188 E CB 0.402 30.197 29.700 0.158 0.000 1.428 188 E HN 0.413 nan 8.360 nan 0.000 0.555 189 R N 0.245 120.805 120.500 0.100 0.000 2.298 189 R HA 0.220 4.564 4.340 0.006 0.000 0.310 189 R C 1.156 177.485 176.300 0.048 0.000 1.068 189 R CA -0.005 56.133 56.100 0.064 0.000 0.957 189 R CB 0.375 30.707 30.300 0.053 0.000 1.003 189 R HN 0.385 nan 8.270 nan 0.000 0.454 190 T N 2.937 117.498 114.554 0.012 0.000 2.720 190 T HA -0.196 4.158 4.350 0.006 0.000 0.268 190 T C 1.738 176.390 174.700 -0.081 0.000 1.037 190 T CA 1.893 63.961 62.100 -0.052 0.000 1.144 190 T CB -0.101 68.739 68.868 -0.048 0.000 0.864 190 T HN 0.597 nan 8.240 nan 0.000 0.444 191 R N 1.945 122.426 120.500 -0.032 0.000 2.120 191 R HA -0.000 4.343 4.340 0.006 0.000 0.234 191 R C 1.899 178.183 176.300 -0.026 0.000 1.123 191 R CA 1.576 57.661 56.100 -0.025 0.000 0.975 191 R CB -0.630 29.672 30.300 0.004 0.000 0.866 191 R HN 0.412 nan 8.270 nan 0.000 0.446 192 E N 0.492 120.688 120.200 -0.006 0.000 2.072 192 E HA -0.079 4.275 4.350 0.006 0.000 0.191 192 E C 2.187 178.752 176.600 -0.059 0.000 0.985 192 E CA 1.136 57.538 56.400 0.004 0.000 0.801 192 E CB -0.362 29.378 29.700 0.066 0.000 0.750 192 E HN 0.632 nan 8.360 nan 0.000 0.452 193 G N 1.468 110.192 108.800 -0.127 0.000 2.469 193 G HA2 -0.398 3.565 3.960 0.006 0.000 0.219 193 G HA3 -0.398 3.565 3.960 0.006 0.000 0.219 193 G C 1.417 176.103 174.900 -0.356 0.000 1.150 193 G CA 1.358 46.194 45.100 -0.440 0.000 0.763 193 G HN 0.222 nan 8.290 nan 0.000 0.561 194 N N 0.553 119.107 118.700 -0.243 0.000 2.084 194 N HA -0.114 4.630 4.740 0.006 0.000 0.190 194 N C 1.776 177.235 175.510 -0.085 0.000 1.030 194 N CA 1.714 54.666 53.050 -0.163 0.000 0.849 194 N CB -0.150 38.303 38.487 -0.056 0.000 1.012 194 N HN 0.172 nan 8.380 nan 0.000 0.423 195 D N 0.092 120.470 120.400 -0.037 0.000 2.092 195 D HA -0.169 4.475 4.640 0.006 0.000 0.193 195 D C 1.928 178.209 176.300 -0.033 0.000 0.994 195 D CA 0.819 54.819 54.000 0.001 0.000 0.828 195 D CB -0.554 40.248 40.800 0.002 0.000 0.963 195 D HN 0.269 nan 8.370 nan 0.000 0.450 196 L N 0.064 121.233 121.223 -0.089 0.000 2.017 196 L HA -0.183 4.161 4.340 0.006 0.000 0.208 196 L C 2.273 179.101 176.870 -0.070 0.000 1.073 196 L CA 1.518 56.281 54.840 -0.128 0.000 0.745 196 L CB -1.017 40.881 42.059 -0.268 0.000 0.894 196 L HN 0.010 nan 8.230 nan 0.000 0.432 197 Y N 0.310 120.469 120.300 -0.235 0.000 2.081 197 Y HA -0.329 4.224 4.550 0.005 0.000 0.280 197 Y C 2.653 178.444 175.900 -0.181 0.000 1.163 197 Y CA 2.433 60.384 58.100 -0.248 0.000 1.135 197 Y CB -0.748 37.472 38.460 -0.401 0.000 0.970 197 Y HN 0.488 nan 8.280 nan 0.000 0.498 198 H N -1.678 117.326 119.070 -0.109 0.000 2.462 198 H HA -0.065 4.495 4.556 0.006 0.000 0.292 198 H C 1.994 177.236 175.328 -0.144 0.000 1.049 198 H CA 0.823 56.760 56.048 -0.186 0.000 1.334 198 H CB 0.190 29.897 29.762 -0.091 0.000 1.404 198 H HN 0.292 nan 8.280 nan 0.000 0.544 199 E N 0.786 120.984 120.200 -0.002 0.000 2.072 199 E HA -0.110 4.243 4.350 0.006 0.000 0.191 199 E C 1.918 178.484 176.600 -0.056 0.000 0.985 199 E CA 0.953 57.336 56.400 -0.029 0.000 0.801 199 E CB 0.034 29.711 29.700 -0.039 0.000 0.750 199 E HN 0.405 nan 8.360 nan 0.000 0.452 200 M N -0.546 119.006 119.600 -0.080 0.000 2.319 200 M HA -0.016 4.467 4.480 0.006 0.000 0.265 200 M C 1.832 178.077 176.300 -0.092 0.000 1.068 200 M CA 0.835 56.090 55.300 -0.075 0.000 1.118 200 M CB -0.016 32.552 32.600 -0.053 0.000 1.395 200 M HN 0.149 nan 8.290 nan 0.000 0.435 201 I N -0.368 120.112 120.570 -0.151 0.000 2.286 201 I HA -0.230 3.943 4.170 0.006 0.000 0.245 201 I C 2.538 178.606 176.117 -0.083 0.000 1.104 201 I CA 1.115 62.328 61.300 -0.146 0.000 1.397 201 I CB -0.363 37.507 38.000 -0.218 0.000 1.072 201 I HN 0.294 nan 8.210 nan 0.000 0.417 202 E N 0.705 120.865 120.200 -0.066 0.000 2.106 202 E HA -0.187 4.166 4.350 0.006 0.000 0.192 202 E C 2.247 178.824 176.600 -0.038 0.000 0.984 202 E CA 1.647 58.018 56.400 -0.049 0.000 0.806 202 E CB 0.102 29.777 29.700 -0.041 0.000 0.750 202 E HN 0.496 nan 8.360 nan 0.000 0.458 203 S N -1.376 114.302 115.700 -0.037 0.000 2.496 203 S HA 0.091 4.564 4.470 0.006 0.000 0.224 203 S C 1.556 176.144 174.600 -0.021 0.000 0.996 203 S CA 0.856 59.040 58.200 -0.027 0.000 0.927 203 S CB 0.437 63.621 63.200 -0.026 0.000 0.774 203 S HN 0.348 nan 8.310 nan 0.000 0.524 204 G N 0.731 109.515 108.800 -0.026 0.000 2.159 204 G HA2 -0.330 3.633 3.960 0.006 0.000 0.256 204 G HA3 -0.330 3.633 3.960 0.006 0.000 0.256 204 G C 0.824 175.722 174.900 -0.004 0.000 0.977 204 G CA 0.621 45.711 45.100 -0.017 0.000 0.652 204 G HN 1.431 nan 8.290 nan 0.000 0.531 205 V N -1.908 118.004 119.914 -0.003 0.000 2.871 205 V HA 0.452 4.576 4.120 0.006 0.000 0.256 205 V C 1.271 177.379 176.094 0.024 0.000 1.082 205 V CA 1.314 63.625 62.300 0.018 0.000 1.105 205 V CB -0.091 31.746 31.823 0.024 0.000 0.713 205 V HN 0.447 nan 8.190 nan 0.000 0.473 206 I N 2.188 122.758 120.570 0.001 0.000 2.362 206 I HA 0.429 4.602 4.170 0.006 0.000 0.289 206 I C -0.442 175.667 176.117 -0.014 0.000 0.994 206 I CA -0.195 61.108 61.300 0.005 0.000 1.158 206 I CB 1.406 39.404 38.000 -0.004 0.000 1.315 206 I HN 0.139 nan 8.210 nan 0.000 0.451 207 N N 6.998 125.702 118.700 0.006 0.000 2.446 207 N HA 0.335 5.079 4.740 0.006 0.000 0.265 207 N C 0.384 175.901 175.510 0.011 0.000 0.975 207 N CA -0.378 52.672 53.050 0.001 0.000 0.928 207 N CB 1.828 40.320 38.487 0.009 0.000 1.160 207 N HN 0.597 nan 8.380 nan 0.000 0.495 208 L N 2.266 123.490 121.223 0.003 0.000 2.610 208 L HA 0.075 4.418 4.340 0.006 0.000 0.232 208 L C 1.548 178.429 176.870 0.019 0.000 1.149 208 L CA 0.607 55.459 54.840 0.019 0.000 0.872 208 L CB 0.038 42.106 42.059 0.015 0.000 0.992 208 L HN 0.318 nan 8.230 nan 0.000 0.447 209 K N -1.544 118.863 120.400 0.012 0.000 2.435 209 K HA 0.219 4.542 4.320 0.006 0.000 0.199 209 K C 0.104 176.711 176.600 0.012 0.000 1.153 209 K CA 0.165 56.459 56.287 0.011 0.000 0.974 209 K CB 1.018 33.521 32.500 0.005 0.000 0.997 209 K HN 0.072 nan 8.250 nan 0.000 0.547 210 D N -0.579 119.829 120.400 0.014 0.000 2.621 210 D HA 0.447 5.090 4.640 0.006 0.000 0.255 210 D C -0.526 175.786 176.300 0.021 0.000 1.122 210 D CA -0.431 53.578 54.000 0.016 0.000 1.096 210 D CB 1.944 42.753 40.800 0.015 0.000 1.282 210 D HN -0.062 nan 8.370 nan 0.000 0.619 211 A N -0.447 122.387 122.820 0.024 0.000 2.500 211 A HA 0.149 4.472 4.320 0.006 0.000 0.267 211 A C 1.027 178.635 177.584 0.040 0.000 1.290 211 A CA 0.143 52.197 52.037 0.029 0.000 0.928 211 A CB -0.448 18.570 19.000 0.030 0.000 1.066 211 A HN 0.455 nan 8.150 nan 0.000 0.516 212 T N -2.223 112.354 114.554 0.039 0.000 3.144 212 T HA 0.148 4.502 4.350 0.006 0.000 0.249 212 T C 0.617 175.352 174.700 0.057 0.000 1.089 212 T CA 0.201 62.330 62.100 0.049 0.000 0.989 212 T CB -0.432 68.457 68.868 0.034 0.000 0.992 212 T HN 0.144 nan 8.240 nan 0.000 0.540 213 S N 2.356 118.085 115.700 0.048 0.000 2.546 213 S HA 0.151 4.624 4.470 0.006 0.000 0.290 213 S C 1.022 175.665 174.600 0.073 0.000 1.290 213 S CA -0.432 57.798 58.200 0.050 0.000 1.069 213 S CB 0.581 63.805 63.200 0.040 0.000 0.846 213 S HN 0.273 nan 8.310 nan 0.000 0.495 214 K N 1.521 121.979 120.400 0.096 0.000 2.358 214 K HA 0.253 4.577 4.320 0.006 0.000 0.200 214 K C -0.433 176.254 176.600 0.144 0.000 1.030 214 K CA 0.222 56.611 56.287 0.169 0.000 1.097 214 K CB 0.583 33.177 32.500 0.156 0.000 0.862 214 K HN 0.400 nan 8.250 nan 0.000 0.534 215 V N 0.862 120.831 119.914 0.091 0.000 2.686 215 V HA 0.549 4.672 4.120 0.006 0.000 0.306 215 V C -0.664 175.496 176.094 0.110 0.000 1.065 215 V CA -1.445 60.923 62.300 0.113 0.000 0.894 215 V CB 1.790 33.688 31.823 0.125 0.000 1.004 215 V HN 0.094 nan 8.190 nan 0.000 0.424 216 A N 5.446 128.352 122.820 0.143 0.000 2.312 216 A HA 0.936 5.259 4.320 0.006 0.000 0.326 216 A C -0.860 176.818 177.584 0.157 0.000 1.172 216 A CA -0.515 51.611 52.037 0.148 0.000 0.821 216 A CB 0.806 19.917 19.000 0.186 0.000 1.166 216 A HN 0.806 nan 8.150 nan 0.000 0.493 217 L N 2.305 123.613 121.223 0.141 0.000 2.346 217 L HA 0.666 5.009 4.340 0.006 0.000 0.276 217 L C -1.034 175.899 176.870 0.104 0.000 1.006 217 L CA -0.899 54.037 54.840 0.160 0.000 0.817 217 L CB 1.992 44.216 42.059 0.274 0.000 1.272 217 L HN 0.421 nan 8.230 nan 0.000 0.421 218 V N 2.657 122.564 119.914 -0.011 0.000 2.577 218 V HA 0.488 4.612 4.120 0.006 0.000 0.303 218 V C -1.334 174.658 176.094 -0.169 0.000 1.042 218 V CA -0.694 61.589 62.300 -0.028 0.000 0.872 218 V CB 1.884 33.675 31.823 -0.053 0.000 0.998 218 V HN 0.466 nan 8.190 nan 0.000 0.423 219 Y N 1.435 121.756 120.300 0.035 0.000 2.457 219 Y HA 0.748 5.302 4.550 0.005 0.000 0.343 219 Y C 0.504 176.416 175.900 0.020 0.000 0.994 219 Y CA -0.644 57.481 58.100 0.042 0.000 1.031 219 Y CB 2.877 41.352 38.460 0.025 0.000 1.246 219 Y HN 0.736 nan 8.280 nan 0.000 0.449 220 G N 3.749 112.655 108.800 0.175 0.000 3.191 220 G HA2 0.318 4.282 3.960 0.006 0.000 0.309 220 G HA3 0.318 4.282 3.960 0.006 0.000 0.309 220 G C -0.985 173.984 174.900 0.115 0.000 1.596 220 G CA -0.555 44.612 45.100 0.111 0.000 0.955 220 G HN 0.319 nan 8.290 nan 0.000 0.508 221 Q N 1.134 121.012 119.800 0.130 0.000 2.247 221 Q HA 0.242 4.585 4.340 0.006 0.000 0.184 221 Q C 2.078 178.117 176.000 0.066 0.000 1.067 221 Q CA -0.653 55.220 55.803 0.117 0.000 1.115 221 Q CB 0.609 29.419 28.738 0.120 0.000 1.147 221 Q HN 0.729 nan 8.270 nan 0.000 0.599 222 M N -1.101 118.531 119.600 0.053 0.000 2.700 222 M HA -0.035 4.448 4.480 0.006 0.000 0.249 222 M C 0.773 177.085 176.300 0.020 0.000 1.082 222 M CA 1.569 56.886 55.300 0.030 0.000 1.077 222 M CB -0.751 31.862 32.600 0.021 0.000 1.477 222 M HN 0.525 nan 8.290 nan 0.000 0.529 223 N N -0.180 118.533 118.700 0.022 0.000 2.463 223 N HA 0.024 4.767 4.740 0.006 0.000 0.181 223 N C -0.143 175.375 175.510 0.014 0.000 1.078 223 N CA -0.138 52.920 53.050 0.014 0.000 0.902 223 N CB 0.057 38.550 38.487 0.010 0.000 0.970 223 N HN 0.316 nan 8.380 nan 0.000 0.451 224 E N 2.042 122.254 120.200 0.020 0.000 2.349 224 E HA 0.232 4.585 4.350 0.006 0.000 0.265 224 E C -2.081 174.525 176.600 0.010 0.000 1.064 224 E CA -2.062 54.349 56.400 0.018 0.000 0.886 224 E CB 0.612 30.328 29.700 0.027 0.000 1.036 224 E HN 0.217 nan 8.360 nan 0.000 0.413 225 P HA 0.081 nan 4.420 nan 0.000 0.272 225 P C -2.010 175.288 177.300 -0.002 0.000 1.240 225 P CA -1.145 61.956 63.100 0.002 0.000 0.791 225 P CB 0.253 31.955 31.700 0.003 0.000 0.978 226 P HA -0.122 nan 4.420 nan 0.000 0.220 226 P C 1.640 178.926 177.300 -0.023 0.000 1.148 226 P CA 1.572 64.656 63.100 -0.026 0.000 0.803 226 P CB -0.587 31.091 31.700 -0.037 0.000 0.782 227 G N 0.656 109.451 108.800 -0.009 0.000 2.422 227 G HA2 -0.208 3.755 3.960 0.006 0.000 0.218 227 G HA3 -0.208 3.755 3.960 0.006 0.000 0.218 227 G C 1.777 176.687 174.900 0.016 0.000 1.146 227 G CA 0.996 46.098 45.100 0.004 0.000 0.769 227 G HN 0.362 nan 8.290 nan 0.000 0.547 228 A N 0.727 123.556 122.820 0.016 0.000 1.872 228 A HA 0.084 4.408 4.320 0.006 0.000 0.214 228 A C 2.415 180.016 177.584 0.029 0.000 1.187 228 A CA 1.393 53.445 52.037 0.024 0.000 0.614 228 A CB -0.346 18.669 19.000 0.024 0.000 0.826 228 A HN 0.318 nan 8.150 nan 0.000 0.442 229 R N -0.484 120.029 120.500 0.021 0.000 2.152 229 R HA -0.044 4.299 4.340 0.006 0.000 0.232 229 R C 2.202 178.529 176.300 0.045 0.000 1.117 229 R CA 1.010 57.126 56.100 0.025 0.000 0.981 229 R CB -0.341 29.961 30.300 0.004 0.000 0.870 229 R HN 0.508 nan 8.270 nan 0.000 0.451 230 A N 0.456 123.288 122.820 0.020 0.000 2.119 230 A HA -0.029 4.294 4.320 0.006 0.000 0.216 230 A C 1.774 179.460 177.584 0.170 0.000 1.152 230 A CA 0.850 52.901 52.037 0.024 0.000 0.708 230 A CB 0.105 19.059 19.000 -0.077 0.000 0.805 230 A HN 0.065 nan 8.150 nan 0.000 0.460 231 R N -0.942 119.619 120.500 0.102 0.000 2.316 231 R HA 0.074 4.418 4.340 0.006 0.000 0.201 231 R C 1.858 178.169 176.300 0.019 0.000 0.888 231 R CA 1.195 57.337 56.100 0.070 0.000 1.041 231 R CB -0.692 29.633 30.300 0.041 0.000 1.115 231 R HN 0.448 nan 8.270 nan 0.000 0.559 232 V N 0.159 120.086 119.914 0.022 0.000 2.453 232 V HA -0.190 3.934 4.120 0.006 0.000 0.252 232 V C 2.426 178.485 176.094 -0.057 0.000 1.068 232 V CA 1.991 64.283 62.300 -0.013 0.000 1.070 232 V CB -1.291 30.529 31.823 -0.003 0.000 0.664 232 V HN 0.153 nan 8.190 nan 0.000 0.461 233 A N 0.661 123.447 122.820 -0.057 0.000 1.930 233 A HA -0.004 4.319 4.320 0.006 0.000 0.217 233 A C 2.238 179.710 177.584 -0.185 0.000 1.175 233 A CA 1.772 53.718 52.037 -0.152 0.000 0.627 233 A CB -0.521 18.337 19.000 -0.236 0.000 0.815 233 A HN 0.533 nan 8.150 nan 0.000 0.443 234 L N -0.619 120.505 121.223 -0.165 0.000 2.079 234 L HA -0.172 4.172 4.340 0.006 0.000 0.210 234 L C 2.706 179.483 176.870 -0.154 0.000 1.081 234 L CA 1.869 56.596 54.840 -0.187 0.000 0.752 234 L CB -1.275 40.645 42.059 -0.232 0.000 0.896 234 L HN 0.352 nan 8.230 nan 0.000 0.433 235 T N -0.159 114.323 114.554 -0.120 0.000 2.737 235 T HA -0.096 4.257 4.350 0.006 0.000 0.265 235 T C 1.879 176.525 174.700 -0.089 0.000 1.038 235 T CA 1.347 63.392 62.100 -0.092 0.000 1.144 235 T CB -0.498 68.334 68.868 -0.061 0.000 0.866 235 T HN 0.540 nan 8.240 nan 0.000 0.434 236 G N 1.452 110.194 108.800 -0.098 0.000 2.440 236 G HA2 -0.156 3.807 3.960 0.006 0.000 0.218 236 G HA3 -0.156 3.807 3.960 0.006 0.000 0.218 236 G C 1.495 176.342 174.900 -0.087 0.000 1.154 236 G CA 0.506 45.551 45.100 -0.092 0.000 0.767 236 G HN 0.322 nan 8.290 nan 0.000 0.552 237 L N 1.047 122.200 121.223 -0.116 0.000 2.046 237 L HA -0.009 4.334 4.340 0.006 0.000 0.208 237 L C 3.046 179.867 176.870 -0.082 0.000 1.077 237 L CA 2.202 56.974 54.840 -0.113 0.000 0.747 237 L CB -1.097 40.873 42.059 -0.149 0.000 0.896 237 L HN 0.193 nan 8.230 nan 0.000 0.432 238 T N -1.308 113.194 114.554 -0.088 0.000 2.746 238 T HA -0.154 4.199 4.350 0.006 0.000 0.267 238 T C 2.033 176.688 174.700 -0.075 0.000 1.039 238 T CA 1.522 63.578 62.100 -0.072 0.000 1.142 238 T CB -0.321 68.499 68.868 -0.080 0.000 0.866 238 T HN 0.149 nan 8.240 nan 0.000 0.444 239 V N 1.845 121.704 119.914 -0.093 0.000 2.287 239 V HA -0.215 3.908 4.120 0.006 0.000 0.248 239 V C 2.908 178.951 176.094 -0.086 0.000 1.053 239 V CA 1.846 64.063 62.300 -0.139 0.000 1.027 239 V CB -1.253 30.522 31.823 -0.081 0.000 0.646 239 V HN 0.543 nan 8.190 nan 0.000 0.447 240 A N -0.645 122.193 122.820 0.031 0.000 1.933 240 A HA -0.253 4.070 4.320 0.006 0.000 0.218 240 A C 2.171 179.809 177.584 0.090 0.000 1.175 240 A CA 1.915 54.030 52.037 0.129 0.000 0.628 240 A CB -0.489 18.547 19.000 0.060 0.000 0.814 240 A HN 0.642 nan 8.150 nan 0.000 0.444 241 E N -1.735 118.474 120.200 0.015 0.000 2.110 241 E HA -0.211 4.142 4.350 0.006 0.000 0.193 241 E C 1.812 178.412 176.600 -0.000 0.000 0.988 241 E CA 1.368 57.770 56.400 0.003 0.000 0.804 241 E CB -0.306 29.384 29.700 -0.016 0.000 0.745 241 E HN 0.798 nan 8.360 nan 0.000 0.458 242 Y N 0.385 120.593 120.300 -0.154 0.000 2.128 242 Y HA -0.267 4.285 4.550 0.004 0.000 0.284 242 Y C 1.795 177.627 175.900 -0.113 0.000 1.154 242 Y CA 1.742 59.717 58.100 -0.209 0.000 1.149 242 Y CB -0.342 37.879 38.460 -0.399 0.000 0.976 242 Y HN -0.010 nan 8.280 nan 0.000 0.505 243 F N -0.312 119.719 119.950 0.135 0.000 2.234 243 F HA -0.155 4.374 4.527 0.004 0.000 0.299 243 F C 2.750 178.560 175.800 0.017 0.000 1.087 243 F CA 1.190 59.263 58.000 0.122 0.000 1.340 243 F CB -0.315 38.830 39.000 0.242 0.000 1.031 243 F HN -0.057 nan 8.300 nan 0.000 0.500 244 R N 0.562 121.163 120.500 0.167 0.000 2.075 244 R HA -0.150 4.194 4.340 0.006 0.000 0.232 244 R C 1.403 177.698 176.300 -0.008 0.000 1.126 244 R CA 2.080 58.221 56.100 0.069 0.000 0.963 244 R CB -0.207 30.115 30.300 0.037 0.000 0.858 244 R HN 0.189 nan 8.270 nan 0.000 0.435 245 D N -0.309 120.046 120.400 -0.075 0.000 2.320 245 D HA -0.045 4.598 4.640 0.006 0.000 0.228 245 D C 1.626 177.816 176.300 -0.184 0.000 0.978 245 D CA 0.720 54.652 54.000 -0.114 0.000 0.905 245 D CB -0.112 40.620 40.800 -0.113 0.000 1.051 245 D HN 0.148 nan 8.370 nan 0.000 0.471 246 Q N 0.297 119.864 119.800 -0.388 0.000 2.365 246 Q HA 0.080 4.423 4.340 0.006 0.000 0.203 246 Q C 0.547 176.345 176.000 -0.337 0.000 0.929 246 Q CA 0.421 55.925 55.803 -0.498 0.000 0.948 246 Q CB 0.907 29.019 28.738 -1.042 0.000 1.043 246 Q HN 0.368 nan 8.270 nan 0.000 0.505 247 E N -1.121 118.979 120.200 -0.167 0.000 2.676 247 E HA 0.194 4.547 4.350 0.006 0.000 0.225 247 E C 0.650 177.255 176.600 0.008 0.000 0.944 247 E CA 0.373 56.780 56.400 0.012 0.000 1.156 247 E CB 0.736 30.563 29.700 0.212 0.000 1.117 247 E HN 0.336 nan 8.360 nan 0.000 0.523 248 G N 1.458 110.241 108.800 -0.028 0.000 2.200 248 G HA2 -0.327 3.637 3.960 0.006 0.000 0.267 248 G HA3 -0.327 3.637 3.960 0.006 0.000 0.267 248 G C 0.559 175.457 174.900 -0.005 0.000 0.993 248 G CA 0.910 45.997 45.100 -0.021 0.000 0.701 248 G HN 0.176 nan 8.290 nan 0.000 0.524 249 Q N -0.154 119.660 119.800 0.024 0.000 2.204 249 Q HA 0.466 4.809 4.340 0.006 0.000 0.175 249 Q C -0.334 175.676 176.000 0.016 0.000 1.020 249 Q CA -0.475 55.331 55.803 0.005 0.000 1.078 249 Q CB 0.205 28.932 28.738 -0.018 0.000 1.228 249 Q HN 0.239 nan 8.270 nan 0.000 0.550 250 D N 0.146 120.542 120.400 -0.006 0.000 2.443 250 D HA 0.331 4.974 4.640 0.006 0.000 0.221 250 D C -1.100 175.296 176.300 0.160 0.000 1.097 250 D CA -0.060 53.977 54.000 0.060 0.000 0.865 250 D CB 0.645 41.461 40.800 0.028 0.000 1.034 250 D HN 0.004 nan 8.370 nan 0.000 0.511 251 V N 3.468 123.453 119.914 0.118 0.000 2.532 251 V HA 0.448 4.572 4.120 0.006 0.000 0.295 251 V C 0.303 176.372 176.094 -0.043 0.000 1.041 251 V CA -0.866 61.496 62.300 0.102 0.000 0.926 251 V CB 1.561 33.463 31.823 0.133 0.000 0.992 251 V HN 0.319 nan 8.190 nan 0.000 0.457 252 L N 4.803 125.945 121.223 -0.135 0.000 2.317 252 L HA 0.652 4.996 4.340 0.006 0.000 0.281 252 L C -0.778 175.947 176.870 -0.241 0.000 1.024 252 L CA -0.617 54.036 54.840 -0.312 0.000 0.810 252 L CB 1.616 43.442 42.059 -0.388 0.000 1.240 252 L HN 0.442 nan 8.230 nan 0.000 0.427 253 L N 3.235 124.202 121.223 -0.427 0.000 2.376 253 L HA 0.607 4.950 4.340 0.006 0.000 0.275 253 L C -1.455 175.076 176.870 -0.565 0.000 0.987 253 L CA 0.063 54.712 54.840 -0.317 0.000 0.828 253 L CB 1.365 43.297 42.059 -0.211 0.000 1.249 253 L HN 0.236 nan 8.230 nan 0.000 0.409 254 F N 5.886 125.716 119.950 -0.200 0.000 2.482 254 F HA 0.644 5.175 4.527 0.005 0.000 0.331 254 F C -0.097 175.339 175.800 -0.607 0.000 1.115 254 F CA -0.520 57.291 58.000 -0.314 0.000 0.955 254 F CB 1.627 40.514 39.000 -0.189 0.000 1.136 254 F HN 0.220 nan 8.300 nan 0.000 0.452 255 I N 2.767 123.123 120.570 -0.357 0.000 2.447 255 I HA 0.309 4.483 4.170 0.006 0.000 0.287 255 I C -1.374 174.549 176.117 -0.324 0.000 1.023 255 I CA -0.528 60.515 61.300 -0.428 0.000 1.083 255 I CB 1.919 39.745 38.000 -0.290 0.000 1.245 255 I HN 0.427 nan 8.210 nan 0.000 0.434 256 D N 6.423 126.609 120.400 -0.357 0.000 2.473 256 D HA 0.282 4.925 4.640 0.006 0.000 0.253 256 D C -1.323 174.972 176.300 -0.009 0.000 1.233 256 D CA -0.226 53.725 54.000 -0.082 0.000 0.908 256 D CB 1.206 42.055 40.800 0.081 0.000 1.170 256 D HN 0.454 nan 8.370 nan 0.000 0.558 257 N N 4.399 123.113 118.700 0.023 0.000 2.371 257 N HA 0.153 4.896 4.740 0.006 0.000 0.291 257 N C 0.329 175.873 175.510 0.058 0.000 1.053 257 N CA -0.484 52.596 53.050 0.050 0.000 0.870 257 N CB 1.651 40.218 38.487 0.133 0.000 1.503 257 N HN 0.297 nan 8.380 nan 0.000 0.485 258 I N 3.974 124.552 120.570 0.014 0.000 2.676 258 I HA -0.033 4.140 4.170 0.006 0.000 0.259 258 I C 1.682 177.880 176.117 0.134 0.000 1.194 258 I CA 0.619 61.926 61.300 0.012 0.000 1.473 258 I CB -0.546 37.394 38.000 -0.101 0.000 1.096 258 I HN 0.627 nan 8.210 nan 0.000 0.443 259 F N 1.344 121.324 119.950 0.051 0.000 2.250 259 F HA -0.231 4.300 4.527 0.006 0.000 0.301 259 F C 2.220 178.096 175.800 0.126 0.000 1.077 259 F CA 1.454 59.521 58.000 0.113 0.000 1.348 259 F CB -0.284 38.822 39.000 0.176 0.000 1.040 259 F HN -0.023 nan 8.300 nan 0.000 0.509 260 R N -0.096 120.399 120.500 -0.008 0.000 2.189 260 R HA -0.155 4.189 4.340 0.006 0.000 0.223 260 R C 2.140 178.367 176.300 -0.122 0.000 1.092 260 R CA 1.209 57.234 56.100 -0.124 0.000 0.989 260 R CB -1.639 28.679 30.300 0.029 0.000 0.876 260 R HN 0.491 nan 8.270 nan 0.000 0.457 261 F N 1.735 121.583 119.950 -0.171 0.000 2.102 261 F HA -0.203 4.328 4.527 0.006 0.000 0.298 261 F C 1.971 177.672 175.800 -0.165 0.000 1.105 261 F CA 1.753 59.669 58.000 -0.141 0.000 1.239 261 F CB -0.407 38.523 39.000 -0.117 0.000 0.991 261 F HN -0.122 nan 8.300 nan 0.000 0.474 262 T N 0.098 114.455 114.554 -0.329 0.000 2.812 262 T HA -0.205 4.148 4.350 0.006 0.000 0.264 262 T C 1.895 176.374 174.700 -0.368 0.000 1.042 262 T CA 1.437 63.289 62.100 -0.415 0.000 1.140 262 T CB -0.355 68.393 68.868 -0.199 0.000 0.870 262 T HN 0.442 nan 8.240 nan 0.000 0.445 263 Q N 0.672 120.142 119.800 -0.550 0.000 2.061 263 Q HA -0.132 4.211 4.340 0.006 0.000 0.204 263 Q C 2.470 178.335 176.000 -0.224 0.000 0.984 263 Q CA 1.610 57.177 55.803 -0.394 0.000 0.846 263 Q CB -0.310 28.071 28.738 -0.595 0.000 0.902 263 Q HN 0.525 nan 8.270 nan 0.000 0.421 264 A N 0.366 123.043 122.820 -0.238 0.000 1.940 264 A HA -0.143 4.180 4.320 0.006 0.000 0.219 264 A C 2.244 179.721 177.584 -0.179 0.000 1.176 264 A CA 1.695 53.631 52.037 -0.169 0.000 0.631 264 A CB -1.272 17.645 19.000 -0.139 0.000 0.814 264 A HN 0.616 nan 8.150 nan 0.000 0.446 265 G N -1.283 107.353 108.800 -0.273 0.000 2.443 265 G HA2 -0.124 3.840 3.960 0.006 0.000 0.219 265 G HA3 -0.124 3.840 3.960 0.006 0.000 0.219 265 G C 1.830 176.657 174.900 -0.121 0.000 1.131 265 G CA 1.313 46.271 45.100 -0.236 0.000 0.775 265 G HN 0.522 nan 8.290 nan 0.000 0.547 266 S N 0.312 115.960 115.700 -0.087 0.000 2.356 266 S HA -0.114 4.359 4.470 0.006 0.000 0.223 266 S C 2.264 176.832 174.600 -0.054 0.000 1.032 266 S CA 1.755 59.936 58.200 -0.031 0.000 1.005 266 S CB -0.264 62.921 63.200 -0.025 0.000 0.867 266 S HN 0.598 nan 8.310 nan 0.000 0.449 267 E N 0.267 120.428 120.200 -0.065 0.000 2.118 267 E HA -0.134 4.220 4.350 0.006 0.000 0.195 267 E C 2.052 178.628 176.600 -0.040 0.000 0.992 267 E CA 1.673 58.043 56.400 -0.050 0.000 0.804 267 E CB -0.213 29.458 29.700 -0.047 0.000 0.741 267 E HN 0.659 nan 8.360 nan 0.000 0.458 268 V N -2.273 117.614 119.914 -0.045 0.000 3.354 268 V HA 0.038 4.161 4.120 0.006 0.000 0.258 268 V C 2.147 178.226 176.094 -0.026 0.000 1.159 268 V CA 1.052 63.333 62.300 -0.032 0.000 1.125 268 V CB 0.498 32.301 31.823 -0.034 0.000 0.774 268 V HN 0.081 nan 8.190 nan 0.000 0.464 269 S N 1.296 116.979 115.700 -0.029 0.000 2.370 269 S HA -0.159 4.314 4.470 0.006 0.000 0.226 269 S C 2.158 176.752 174.600 -0.009 0.000 1.033 269 S CA 2.067 60.256 58.200 -0.017 0.000 1.011 269 S CB -0.468 62.726 63.200 -0.010 0.000 0.852 269 S HN 0.955 nan 8.310 nan 0.000 0.457 270 A N 1.436 124.249 122.820 -0.011 0.000 1.873 270 A HA 0.094 4.417 4.320 0.006 0.000 0.215 270 A C 2.118 179.699 177.584 -0.005 0.000 1.186 270 A CA 1.332 53.364 52.037 -0.007 0.000 0.616 270 A CB -0.843 18.151 19.000 -0.011 0.000 0.823 270 A HN 0.575 nan 8.150 nan 0.000 0.442 271 L N -0.607 120.611 121.223 -0.007 0.000 2.349 271 L HA -0.148 4.195 4.340 0.006 0.000 0.220 271 L C 1.912 178.781 176.870 -0.001 0.000 1.130 271 L CA 0.655 55.492 54.840 -0.004 0.000 0.791 271 L CB -0.485 41.570 42.059 -0.006 0.000 0.918 271 L HN 0.356 nan 8.230 nan 0.000 0.444 272 L N -0.361 120.861 121.223 -0.002 0.000 2.591 272 L HA 0.140 4.484 4.340 0.006 0.000 0.228 272 L C 1.361 178.234 176.870 0.005 0.000 1.133 272 L CA 0.392 55.233 54.840 0.002 0.000 0.880 272 L CB -0.296 41.763 42.059 -0.001 0.000 1.033 272 L HN 0.452 nan 8.230 nan 0.000 0.450 273 G N 0.877 109.679 108.800 0.004 0.000 2.198 273 G HA2 -0.284 3.679 3.960 0.006 0.000 0.257 273 G HA3 -0.284 3.679 3.960 0.006 0.000 0.257 273 G C 0.044 174.948 174.900 0.006 0.000 1.042 273 G CA -0.139 44.964 45.100 0.005 0.000 0.791 273 G HN 0.267 nan 8.290 nan 0.000 0.502 274 R N -0.678 119.826 120.500 0.005 0.000 2.404 274 R HA 0.647 4.990 4.340 0.006 0.000 0.291 274 R C 1.098 177.404 176.300 0.010 0.000 1.025 274 R CA -0.712 55.392 56.100 0.008 0.000 0.991 274 R CB 0.657 30.962 30.300 0.009 0.000 1.053 274 R HN 0.320 nan 8.270 nan 0.000 0.479 275 I N 5.602 126.179 120.570 0.012 0.000 2.598 275 I HA 0.076 4.250 4.170 0.006 0.000 0.284 275 I C -1.511 174.618 176.117 0.019 0.000 1.140 275 I CA -1.338 59.970 61.300 0.014 0.000 1.420 275 I CB 0.434 38.443 38.000 0.014 0.000 1.387 275 I HN 0.370 nan 8.210 nan 0.000 0.553 276 P HA 0.062 nan 4.420 nan 0.000 0.272 276 P C -0.398 176.927 177.300 0.041 0.000 1.230 276 P CA -0.251 62.866 63.100 0.028 0.000 0.788 276 P CB 1.260 32.970 31.700 0.015 0.000 0.949 277 S N 0.267 116.006 115.700 0.065 0.000 2.667 277 S HA 0.641 5.115 4.470 0.006 0.000 0.292 277 S C -0.162 174.495 174.600 0.095 0.000 1.108 277 S CA -0.481 57.765 58.200 0.077 0.000 0.992 277 S CB 0.275 63.530 63.200 0.092 0.000 1.269 277 S HN 0.602 nan 8.310 nan 0.000 0.528 278 A N 0.389 123.276 122.820 0.111 0.000 2.498 278 A HA 0.442 4.765 4.320 0.006 0.000 0.239 278 A C 0.972 178.660 177.584 0.173 0.000 1.068 278 A CA 0.366 52.474 52.037 0.117 0.000 0.766 278 A CB -0.771 18.295 19.000 0.109 0.000 1.003 278 A HN 1.673 nan 8.150 nan 0.000 0.497 279 V N 0.983 120.961 119.914 0.106 0.000 3.774 279 V HA -0.310 3.813 4.120 0.006 0.000 0.216 279 V C 1.729 177.763 176.094 -0.100 0.000 0.441 279 V CA 1.587 63.917 62.300 0.050 0.000 0.985 279 V CB -2.529 29.380 31.823 0.144 0.000 1.085 279 V HN 2.927 nan 8.190 nan 0.000 1.240 280 G N -2.436 106.337 108.800 -0.045 0.000 2.162 280 G HA2 -0.351 3.612 3.960 0.006 0.000 0.260 280 G HA3 -0.351 3.612 3.960 0.006 0.000 0.260 280 G C -0.089 174.750 174.900 -0.103 0.000 0.976 280 G CA 0.422 45.470 45.100 -0.086 0.000 0.655 280 G HN 0.897 nan 8.290 nan 0.000 0.533 281 Y N 1.611 121.926 120.300 0.024 0.000 2.357 281 Y HA 0.335 4.888 4.550 0.006 0.000 0.340 281 Y C 1.524 177.423 175.900 -0.002 0.000 1.260 281 Y CA -0.080 58.027 58.100 0.011 0.000 1.425 281 Y CB 0.498 38.975 38.460 0.028 0.000 1.326 281 Y HN 0.403 nan 8.280 nan 0.000 0.580 282 Q N 3.962 123.876 119.800 0.189 0.000 2.310 282 Q HA -0.052 4.291 4.340 0.006 0.000 0.315 282 Q C -2.281 173.768 176.000 0.082 0.000 1.081 282 Q CA -1.139 54.717 55.803 0.087 0.000 0.981 282 Q CB 0.421 29.179 28.738 0.033 0.000 1.184 282 Q HN 0.430 nan 8.270 nan 0.000 0.389 283 P HA -0.102 nan 4.420 nan 0.000 0.228 283 P C 0.724 178.044 177.300 0.034 0.000 1.151 283 P CA 1.352 64.479 63.100 0.046 0.000 0.770 283 P CB -0.010 31.710 31.700 0.034 0.000 0.786 284 T N -4.159 110.410 114.554 0.025 0.000 3.145 284 T HA 0.163 4.517 4.350 0.006 0.000 0.255 284 T C 1.535 176.245 174.700 0.017 0.000 1.039 284 T CA -0.358 61.754 62.100 0.020 0.000 0.928 284 T CB -0.889 67.986 68.868 0.011 0.000 1.029 284 T HN -0.046 nan 8.240 nan 0.000 0.554 285 L N 1.164 122.392 121.223 0.007 0.000 2.034 285 L HA -0.172 4.172 4.340 0.006 0.000 0.217 285 L C 2.699 179.584 176.870 0.025 0.000 1.077 285 L CA 2.213 57.041 54.840 -0.020 0.000 0.769 285 L CB -0.596 41.414 42.059 -0.081 0.000 0.890 285 L HN 0.407 nan 8.230 nan 0.000 0.435 286 A N -1.115 121.731 122.820 0.042 0.000 1.898 286 A HA -0.132 4.191 4.320 0.006 0.000 0.214 286 A C 2.325 179.971 177.584 0.104 0.000 1.183 286 A CA 1.598 53.685 52.037 0.083 0.000 0.622 286 A CB -1.031 18.012 19.000 0.071 0.000 0.824 286 A HN 0.620 nan 8.150 nan 0.000 0.444 287 T N -1.925 112.675 114.554 0.076 0.000 2.821 287 T HA -0.140 4.213 4.350 0.006 0.000 0.267 287 T C 1.351 176.105 174.700 0.091 0.000 1.046 287 T CA 1.473 63.619 62.100 0.077 0.000 1.139 287 T CB -0.497 68.403 68.868 0.053 0.000 0.871 287 T HN 0.299 nan 8.240 nan 0.000 0.454 288 D N 0.999 121.456 120.400 0.095 0.000 2.104 288 D HA -0.081 4.563 4.640 0.006 0.000 0.194 288 D C 1.978 178.435 176.300 0.262 0.000 0.994 288 D CA 1.197 55.289 54.000 0.154 0.000 0.830 288 D CB -0.435 40.408 40.800 0.071 0.000 0.959 288 D HN 0.406 nan 8.370 nan 0.000 0.452 289 M N 0.225 119.959 119.600 0.224 0.000 2.117 289 M HA -0.080 4.404 4.480 0.006 0.000 0.262 289 M C 2.045 178.302 176.300 -0.073 0.000 1.065 289 M CA 2.014 57.412 55.300 0.164 0.000 1.114 289 M CB -0.204 32.475 32.600 0.133 0.000 1.361 289 M HN 0.034 nan 8.290 nan 0.000 0.408 290 G N -0.473 108.343 108.800 0.027 0.000 2.421 290 G HA2 -0.261 3.703 3.960 0.006 0.000 0.216 290 G HA3 -0.261 3.703 3.960 0.006 0.000 0.216 290 G C 1.430 176.323 174.900 -0.011 0.000 1.171 290 G CA 1.521 46.643 45.100 0.036 0.000 0.775 290 G HN 0.603 nan 8.290 nan 0.000 0.543 291 T N -1.606 112.961 114.554 0.023 0.000 2.881 291 T HA -0.068 4.285 4.350 0.006 0.000 0.270 291 T C 2.181 176.856 174.700 -0.041 0.000 1.068 291 T CA 1.567 63.677 62.100 0.017 0.000 1.131 291 T CB -0.126 68.775 68.868 0.056 0.000 0.871 291 T HN 0.150 nan 8.240 nan 0.000 0.479 292 M N 0.295 119.827 119.600 -0.113 0.000 2.191 292 M HA 0.063 4.546 4.480 0.006 0.000 0.262 292 M C 2.259 178.383 176.300 -0.293 0.000 1.083 292 M CA 1.342 56.484 55.300 -0.264 0.000 1.154 292 M CB -0.645 31.617 32.600 -0.563 0.000 1.344 292 M HN 0.141 nan 8.290 nan 0.000 0.431 293 Q N 0.675 120.260 119.800 -0.359 0.000 2.170 293 Q HA -0.126 4.217 4.340 0.006 0.000 0.203 293 Q C 1.715 177.596 176.000 -0.198 0.000 0.976 293 Q CA 1.206 56.781 55.803 -0.381 0.000 0.858 293 Q CB -0.393 27.876 28.738 -0.782 0.000 0.907 293 Q HN 0.563 nan 8.270 nan 0.000 0.433 294 E N 0.242 120.370 120.200 -0.120 0.000 2.418 294 E HA -0.092 4.261 4.350 0.006 0.000 0.197 294 E C 1.708 178.284 176.600 -0.039 0.000 1.026 294 E CA 0.326 56.712 56.400 -0.024 0.000 0.862 294 E CB 0.070 29.787 29.700 0.028 0.000 0.799 294 E HN 0.322 nan 8.360 nan 0.000 0.518 295 R N 0.074 120.529 120.500 -0.076 0.000 2.200 295 R HA 0.157 4.500 4.340 0.006 0.000 0.208 295 R C 0.995 177.245 176.300 -0.084 0.000 1.033 295 R CA 0.189 56.247 56.100 -0.071 0.000 1.000 295 R CB 0.182 30.433 30.300 -0.082 0.000 0.906 295 R HN 0.052 nan 8.270 nan 0.000 0.462 296 I N 1.875 122.378 120.570 -0.112 0.000 2.278 296 I HA 0.029 4.203 4.170 0.006 0.000 0.300 296 I C -0.036 176.029 176.117 -0.087 0.000 1.174 296 I CA 0.378 61.607 61.300 -0.118 0.000 1.347 296 I CB 0.340 38.242 38.000 -0.163 0.000 1.473 296 I HN -0.064 nan 8.210 nan 0.000 0.595 297 T N 2.802 117.315 114.554 -0.068 0.000 2.957 297 T HA 0.226 4.580 4.350 0.006 0.000 0.336 297 T C -0.324 174.349 174.700 -0.045 0.000 1.462 297 T CA -0.392 61.677 62.100 -0.050 0.000 1.073 297 T CB 1.519 70.367 68.868 -0.032 0.000 1.319 297 T HN 0.285 nan 8.240 nan 0.000 0.485 298 T N 3.659 118.188 114.554 -0.043 0.000 2.919 298 T HA 0.560 4.914 4.350 0.006 0.000 0.302 298 T C 0.510 175.187 174.700 -0.038 0.000 1.031 298 T CA -0.035 62.043 62.100 -0.037 0.000 1.127 298 T CB 0.595 69.441 68.868 -0.035 0.000 0.952 298 T HN 0.872 nan 8.240 nan 0.000 0.540 299 T N 0.046 114.579 114.554 -0.037 0.000 2.858 299 T HA 0.479 4.832 4.350 0.006 0.000 0.285 299 T C 1.019 175.694 174.700 -0.043 0.000 1.052 299 T CA -1.085 60.989 62.100 -0.043 0.000 1.009 299 T CB 1.401 70.246 68.868 -0.039 0.000 1.241 299 T HN 0.366 nan 8.240 nan 0.000 0.542 300 K N -0.077 120.294 120.400 -0.049 0.000 2.280 300 K HA -0.018 4.305 4.320 0.006 0.000 0.202 300 K C 2.066 178.645 176.600 -0.035 0.000 1.047 300 K CA 1.012 57.272 56.287 -0.045 0.000 0.942 300 K CB -0.062 32.409 32.500 -0.049 0.000 0.739 300 K HN 0.492 nan 8.250 nan 0.000 0.457 301 K N -0.186 120.194 120.400 -0.034 0.000 2.305 301 K HA 0.012 4.335 4.320 0.006 0.000 0.199 301 K C 0.099 176.683 176.600 -0.027 0.000 1.047 301 K CA 0.523 56.791 56.287 -0.031 0.000 0.976 301 K CB 0.556 33.035 32.500 -0.035 0.000 0.765 301 K HN 0.200 nan 8.250 nan 0.000 0.474 302 G N -0.238 108.549 108.800 -0.023 0.000 2.473 302 G HA2 0.117 4.080 3.960 0.006 0.000 0.298 302 G HA3 0.117 4.080 3.960 0.006 0.000 0.298 302 G C -1.703 173.190 174.900 -0.011 0.000 1.575 302 G CA -0.693 44.400 45.100 -0.013 0.000 0.846 302 G HN -0.016 nan 8.290 nan 0.000 0.585 303 S N 0.621 116.319 115.700 -0.003 0.000 2.480 303 S HA 0.733 5.206 4.470 0.006 0.000 0.286 303 S C 0.001 174.599 174.600 -0.005 0.000 1.180 303 S CA -0.637 57.558 58.200 -0.007 0.000 1.075 303 S CB 0.365 63.564 63.200 -0.001 0.000 0.996 303 S HN 0.521 nan 8.310 nan 0.000 0.487 304 I N 4.057 124.609 120.570 -0.029 0.000 2.378 304 I HA 0.269 4.442 4.170 0.006 0.000 0.291 304 I C -0.163 175.897 176.117 -0.096 0.000 0.992 304 I CA -0.520 60.746 61.300 -0.057 0.000 1.154 304 I CB 2.179 40.141 38.000 -0.064 0.000 1.315 304 I HN 0.551 nan 8.210 nan 0.000 0.448 305 T N 4.533 119.002 114.554 -0.142 0.000 2.753 305 T HA 0.324 4.677 4.350 0.006 0.000 0.297 305 T C -0.020 174.489 174.700 -0.319 0.000 0.981 305 T CA -0.614 61.369 62.100 -0.194 0.000 0.956 305 T CB 0.661 69.421 68.868 -0.180 0.000 0.936 305 T HN 0.668 nan 8.240 nan 0.000 0.463 306 S N 2.194 117.714 115.700 -0.299 0.000 2.472 306 S HA 0.757 5.230 4.470 0.006 0.000 0.303 306 S C -0.496 173.876 174.600 -0.380 0.000 1.099 306 S CA -0.823 57.161 58.200 -0.361 0.000 1.077 306 S CB 1.463 64.507 63.200 -0.260 0.000 1.031 306 S HN 0.380 nan 8.310 nan 0.000 0.487 307 V N 3.151 122.803 119.914 -0.438 0.000 2.443 307 V HA 0.440 4.563 4.120 0.006 0.000 0.293 307 V C -0.664 175.305 176.094 -0.208 0.000 1.021 307 V CA -0.521 61.597 62.300 -0.303 0.000 0.848 307 V CB 1.271 32.978 31.823 -0.194 0.000 0.998 307 V HN 0.961 nan 8.190 nan 0.000 0.424 308 Q N 3.205 122.883 119.800 -0.203 0.000 2.333 308 Q HA 0.722 5.066 4.340 0.006 0.000 0.268 308 Q C -0.164 175.729 176.000 -0.178 0.000 1.007 308 Q CA -0.548 55.138 55.803 -0.195 0.000 0.810 308 Q CB 2.558 31.160 28.738 -0.226 0.000 1.264 308 Q HN 0.876 nan 8.270 nan 0.000 0.452 309 A N 3.721 126.474 122.820 -0.112 0.000 2.440 309 A HA 0.490 4.814 4.320 0.006 0.000 0.251 309 A C -0.310 177.209 177.584 -0.108 0.000 1.089 309 A CA -0.055 51.935 52.037 -0.077 0.000 0.779 309 A CB 0.089 19.100 19.000 0.018 0.000 1.022 309 A HN 0.763 nan 8.150 nan 0.000 0.492 310 I N 2.655 123.120 120.570 -0.175 0.000 2.476 310 I HA 0.161 4.334 4.170 0.006 0.000 0.281 310 I C -0.789 175.292 176.117 -0.061 0.000 1.040 310 I CA -0.416 60.765 61.300 -0.197 0.000 1.094 310 I CB 1.273 38.852 38.000 -0.702 0.000 1.219 310 I HN 0.756 nan 8.210 nan 0.000 0.450 311 Y N 7.085 127.337 120.300 -0.078 0.000 2.411 311 Y HA 0.398 4.951 4.550 0.005 0.000 0.333 311 Y C -0.366 175.314 175.900 -0.368 0.000 1.186 311 Y CA -0.047 57.926 58.100 -0.212 0.000 1.381 311 Y CB 0.977 39.279 38.460 -0.263 0.000 1.273 311 Y HN 0.257 nan 8.280 nan 0.000 0.546 312 V N 8.893 128.241 119.914 -0.943 0.000 2.304 312 V HA 0.285 4.409 4.120 0.006 0.000 0.278 312 V C -2.241 173.310 176.094 -0.904 0.000 1.018 312 V CA -2.055 59.861 62.300 -0.640 0.000 0.814 312 V CB 0.907 32.571 31.823 -0.265 0.000 1.021 312 V HN 0.700 nan 8.190 nan 0.000 0.440 313 P HA 0.119 nan 4.420 nan 0.000 0.267 313 P C 0.580 177.802 177.300 -0.131 0.000 1.209 313 P CA 0.727 63.682 63.100 -0.242 0.000 0.763 313 P CB 0.949 32.671 31.700 0.037 0.000 0.816 314 A N 4.067 126.842 122.820 -0.075 0.000 2.799 314 A HA -0.242 4.081 4.320 0.006 0.000 0.287 314 A C 0.837 178.384 177.584 -0.061 0.000 1.484 314 A CA 1.215 53.234 52.037 -0.031 0.000 0.813 314 A CB -2.546 16.463 19.000 0.015 0.000 1.009 314 A HN 0.594 nan 8.150 nan 0.000 0.545 315 D N -1.714 118.608 120.400 -0.129 0.000 2.983 315 D HA -0.190 4.454 4.640 0.006 0.000 0.225 315 D C -0.178 176.086 176.300 -0.059 0.000 1.174 315 D CA 2.061 56.000 54.000 -0.103 0.000 0.831 315 D CB -1.105 39.658 40.800 -0.062 0.000 1.104 315 D HN 0.947 nan 8.370 nan 0.000 0.421 316 D N 0.274 120.646 120.400 -0.048 0.000 2.456 316 D HA 0.219 4.863 4.640 0.006 0.000 0.219 316 D C 1.451 177.764 176.300 0.022 0.000 1.126 316 D CA -0.396 53.603 54.000 -0.002 0.000 0.890 316 D CB 0.127 40.940 40.800 0.023 0.000 1.025 316 D HN 0.119 nan 8.370 nan 0.000 0.511 317 L N 2.435 123.674 121.223 0.027 0.000 2.450 317 L HA -0.100 4.243 4.340 0.006 0.000 0.224 317 L C 2.173 179.109 176.870 0.111 0.000 1.149 317 L CA 1.341 56.228 54.840 0.078 0.000 0.816 317 L CB -0.347 41.748 42.059 0.060 0.000 0.932 317 L HN 0.481 nan 8.230 nan 0.000 0.449 318 T N -5.182 109.415 114.554 0.071 0.000 3.081 318 T HA -0.020 4.333 4.350 0.006 0.000 0.250 318 T C 0.582 175.343 174.700 0.102 0.000 1.100 318 T CA -0.423 61.722 62.100 0.074 0.000 1.038 318 T CB -0.369 68.523 68.868 0.039 0.000 0.962 318 T HN 0.169 nan 8.240 nan 0.000 0.516 319 D N 2.864 123.336 120.400 0.120 0.000 2.571 319 D HA 0.068 4.711 4.640 0.006 0.000 0.231 319 D C -1.310 175.078 176.300 0.148 0.000 1.133 319 D CA -1.282 52.822 54.000 0.173 0.000 0.862 319 D CB 0.970 41.892 40.800 0.203 0.000 1.179 319 D HN -0.005 nan 8.370 nan 0.000 0.474 320 P HA -0.289 nan 4.420 nan 0.000 0.218 320 P C 0.758 177.997 177.300 -0.102 0.000 1.154 320 P CA 2.137 65.215 63.100 -0.038 0.000 0.872 320 P CB 0.023 31.639 31.700 -0.140 0.000 0.790 321 A N -0.122 122.609 122.820 -0.149 0.000 1.835 321 A HA -0.134 4.189 4.320 0.006 0.000 0.215 321 A C 0.011 177.689 177.584 0.157 0.000 1.199 321 A CA 2.442 54.484 52.037 0.007 0.000 0.615 321 A CB -2.289 16.873 19.000 0.270 0.000 0.838 321 A HN 0.223 nan 8.150 nan 0.000 0.444 322 P HA -0.112 nan 4.420 nan 0.000 0.216 322 P C 1.615 179.065 177.300 0.251 0.000 1.153 322 P CA 2.024 65.275 63.100 0.253 0.000 0.848 322 P CB -0.260 31.596 31.700 0.259 0.000 0.787 323 A N -0.225 122.757 122.820 0.269 0.000 1.940 323 A HA -0.162 4.162 4.320 0.006 0.000 0.219 323 A C 2.275 180.039 177.584 0.301 0.000 1.176 323 A CA 2.452 54.694 52.037 0.341 0.000 0.631 323 A CB -1.935 17.175 19.000 0.184 0.000 0.814 323 A HN 0.217 nan 8.150 nan 0.000 0.446 324 T N -0.618 114.051 114.554 0.192 0.000 3.023 324 T HA -0.042 4.311 4.350 0.006 0.000 0.266 324 T C 1.850 176.686 174.700 0.227 0.000 1.093 324 T CA 1.589 63.789 62.100 0.166 0.000 1.129 324 T CB -0.263 68.672 68.868 0.110 0.000 0.899 324 T HN 0.560 nan 8.240 nan 0.000 0.491 325 T N 1.629 116.320 114.554 0.228 0.000 2.857 325 T HA 0.055 4.408 4.350 0.006 0.000 0.266 325 T C 1.518 176.362 174.700 0.241 0.000 1.048 325 T CA 0.663 62.902 62.100 0.230 0.000 1.139 325 T CB -0.497 68.421 68.868 0.084 0.000 0.874 325 T HN 0.342 nan 8.240 nan 0.000 0.455 326 F N 2.010 122.134 119.950 0.291 0.000 2.115 326 F HA -0.211 4.320 4.527 0.006 0.000 0.300 326 F C 2.657 178.507 175.800 0.083 0.000 1.092 326 F CA 1.128 59.244 58.000 0.194 0.000 1.245 326 F CB -0.481 38.537 39.000 0.030 0.000 0.995 326 F HN 0.151 nan 8.300 nan 0.000 0.481 327 A N -1.570 121.347 122.820 0.162 0.000 2.172 327 A HA -0.157 4.167 4.320 0.006 0.000 0.216 327 A C 1.563 179.059 177.584 -0.147 0.000 1.154 327 A CA 1.165 53.181 52.037 -0.036 0.000 0.701 327 A CB -0.854 18.058 19.000 -0.147 0.000 0.789 327 A HN 0.462 nan 8.150 nan 0.000 0.465 328 H N -1.035 118.091 119.070 0.093 0.000 2.539 328 H HA 0.312 4.871 4.556 0.006 0.000 0.269 328 H C -0.146 175.197 175.328 0.026 0.000 0.980 328 H CA 0.281 56.353 56.048 0.040 0.000 1.152 328 H CB 0.058 29.823 29.762 0.005 0.000 1.407 328 H HN 0.349 nan 8.280 nan 0.000 0.564 329 L N 0.466 121.772 121.223 0.138 0.000 2.334 329 L HA 0.213 4.556 4.340 0.006 0.000 0.273 329 L C 0.835 177.758 176.870 0.089 0.000 1.013 329 L CA -0.645 54.255 54.840 0.100 0.000 0.816 329 L CB 1.925 44.065 42.059 0.134 0.000 1.278 329 L HN -0.126 nan 8.230 nan 0.000 0.431 330 D N 1.149 121.582 120.400 0.055 0.000 2.271 330 D HA 0.140 4.783 4.640 0.006 0.000 0.206 330 D C 0.376 176.730 176.300 0.090 0.000 0.967 330 D CA 0.655 54.691 54.000 0.059 0.000 0.867 330 D CB 0.727 41.547 40.800 0.033 0.000 0.960 330 D HN 0.526 nan 8.370 nan 0.000 0.509 331 A N 0.437 123.313 122.820 0.094 0.000 2.449 331 A HA 0.581 4.905 4.320 0.006 0.000 0.302 331 A C -0.459 177.235 177.584 0.184 0.000 1.048 331 A CA -0.607 51.530 52.037 0.166 0.000 0.708 331 A CB 1.674 20.832 19.000 0.264 0.000 1.274 331 A HN -0.009 nan 8.150 nan 0.000 0.410 332 T N -0.793 113.921 114.554 0.268 0.000 2.848 332 T HA 0.692 5.046 4.350 0.006 0.000 0.285 332 T C -0.570 174.340 174.700 0.349 0.000 0.995 332 T CA -0.457 61.859 62.100 0.360 0.000 0.970 332 T CB 1.336 70.479 68.868 0.459 0.000 0.976 332 T HN 0.483 nan 8.240 nan 0.000 0.441 333 T N 3.331 118.108 114.554 0.372 0.000 2.788 333 T HA 0.483 4.836 4.350 0.006 0.000 0.296 333 T C -0.191 174.709 174.700 0.333 0.000 1.009 333 T CA -0.537 61.756 62.100 0.322 0.000 0.949 333 T CB 0.854 69.924 68.868 0.337 0.000 0.946 333 T HN 0.647 nan 8.240 nan 0.000 0.453 334 V N 5.870 125.938 119.914 0.257 0.000 2.350 334 V HA 0.382 4.505 4.120 0.006 0.000 0.276 334 V C 0.125 176.310 176.094 0.152 0.000 1.028 334 V CA -0.750 61.684 62.300 0.224 0.000 0.860 334 V CB 0.783 32.681 31.823 0.126 0.000 0.990 334 V HN 0.741 nan 8.190 nan 0.000 0.453 335 L N 3.932 125.247 121.223 0.154 0.000 2.334 335 L HA 0.585 4.928 4.340 0.006 0.000 0.277 335 L C 0.403 177.307 176.870 0.057 0.000 1.075 335 L CA 0.076 54.976 54.840 0.100 0.000 0.804 335 L CB 1.671 43.798 42.059 0.113 0.000 1.174 335 L HN 0.642 nan 8.230 nan 0.000 0.438 336 S N 1.759 117.470 115.700 0.019 0.000 2.519 336 S HA 0.320 4.793 4.470 0.006 0.000 0.309 336 S C 0.723 175.308 174.600 -0.026 0.000 1.100 336 S CA -0.754 57.443 58.200 -0.005 0.000 1.059 336 S CB 1.613 64.804 63.200 -0.014 0.000 1.008 336 S HN 0.727 nan 8.310 nan 0.000 0.478 337 R N 3.643 124.131 120.500 -0.020 0.000 2.081 337 R HA -0.084 4.259 4.340 0.006 0.000 0.235 337 R C 2.165 178.443 176.300 -0.037 0.000 1.131 337 R CA 1.907 57.994 56.100 -0.022 0.000 0.960 337 R CB -0.737 29.555 30.300 -0.013 0.000 0.856 337 R HN 0.796 nan 8.270 nan 0.000 0.436 338 A N 1.054 123.853 122.820 -0.035 0.000 1.917 338 A HA -0.201 4.122 4.320 0.006 0.000 0.219 338 A C 2.153 179.704 177.584 -0.055 0.000 1.182 338 A CA 1.766 53.780 52.037 -0.038 0.000 0.633 338 A CB -0.560 18.420 19.000 -0.034 0.000 0.819 338 A HN 0.403 nan 8.150 nan 0.000 0.448 339 I N -0.656 119.873 120.570 -0.068 0.000 2.286 339 I HA -0.204 3.970 4.170 0.006 0.000 0.245 339 I C 2.975 178.978 176.117 -0.191 0.000 1.104 339 I CA 0.817 62.059 61.300 -0.096 0.000 1.397 339 I CB -0.363 37.591 38.000 -0.077 0.000 1.072 339 I HN 0.357 nan 8.210 nan 0.000 0.417 340 A N 0.705 123.385 122.820 -0.235 0.000 1.892 340 A HA -0.266 4.057 4.320 0.006 0.000 0.218 340 A C 2.169 179.616 177.584 -0.228 0.000 1.188 340 A CA 1.938 53.735 52.037 -0.399 0.000 0.631 340 A CB -0.692 18.202 19.000 -0.177 0.000 0.822 340 A HN 0.468 nan 8.150 nan 0.000 0.447 341 E N -0.434 119.711 120.200 -0.093 0.000 2.338 341 E HA -0.046 4.307 4.350 0.006 0.000 0.197 341 E C 1.352 177.936 176.600 -0.028 0.000 1.007 341 E CA 0.490 56.873 56.400 -0.028 0.000 0.849 341 E CB -0.208 29.485 29.700 -0.012 0.000 0.774 341 E HN 0.633 nan 8.360 nan 0.000 0.506 342 L N -0.272 120.916 121.223 -0.059 0.000 2.599 342 L HA 0.110 4.453 4.340 0.006 0.000 0.230 342 L C 1.334 178.183 176.870 -0.036 0.000 1.141 342 L CA 0.287 55.100 54.840 -0.045 0.000 0.877 342 L CB -0.099 41.935 42.059 -0.041 0.000 1.009 342 L HN 0.245 nan 8.230 nan 0.000 0.447 343 G N 0.609 109.384 108.800 -0.042 0.000 2.153 343 G HA2 -0.255 3.708 3.960 0.006 0.000 0.252 343 G HA3 -0.255 3.708 3.960 0.006 0.000 0.252 343 G C 0.262 175.221 174.900 0.099 0.000 0.994 343 G CA -0.285 44.869 45.100 0.090 0.000 0.698 343 G HN 0.190 nan 8.290 nan 0.000 0.521 344 I N 0.701 121.190 120.570 -0.134 0.000 2.379 344 I HA 0.428 4.602 4.170 0.006 0.000 0.290 344 I C 0.081 175.966 176.117 -0.385 0.000 1.063 344 I CA -0.558 60.696 61.300 -0.077 0.000 1.351 344 I CB -0.147 37.834 38.000 -0.033 0.000 1.410 344 I HN 0.104 nan 8.210 nan 0.000 0.505 345 Y N 7.173 127.447 120.300 -0.044 0.000 2.442 345 Y HA 0.393 4.946 4.550 0.006 0.000 0.344 345 Y C -2.129 173.579 175.900 -0.321 0.000 0.976 345 Y CA -2.251 55.741 58.100 -0.179 0.000 1.040 345 Y CB 2.445 40.778 38.460 -0.212 0.000 1.228 345 Y HN 0.420 nan 8.280 nan 0.000 0.451 346 P HA 0.116 nan 4.420 nan 0.000 0.275 346 P C -0.443 176.849 177.300 -0.013 0.000 1.228 346 P CA -0.298 62.770 63.100 -0.053 0.000 0.786 346 P CB 1.255 32.954 31.700 -0.002 0.000 0.927 347 A N 3.162 125.972 122.820 -0.016 0.000 2.810 347 A HA 0.191 4.514 4.320 0.006 0.000 0.247 347 A C 0.492 178.071 177.584 -0.007 0.000 1.576 347 A CA -0.217 51.760 52.037 -0.101 0.000 1.294 347 A CB -1.327 17.576 19.000 -0.161 0.000 0.976 347 A HN 0.366 nan 8.150 nan 0.000 0.631 348 V N 1.392 121.321 119.914 0.025 0.000 2.508 348 V HA 0.026 4.149 4.120 0.006 0.000 0.281 348 V C 0.504 176.617 176.094 0.031 0.000 1.041 348 V CA -0.531 61.802 62.300 0.056 0.000 1.016 348 V CB 1.028 32.895 31.823 0.075 0.000 0.984 348 V HN 0.595 nan 8.190 nan 0.000 0.478 349 D N 7.885 128.306 120.400 0.035 0.000 2.349 349 D HA 0.102 4.745 4.640 0.006 0.000 0.266 349 D C -1.527 174.783 176.300 0.017 0.000 1.293 349 D CA -1.666 52.345 54.000 0.018 0.000 0.926 349 D CB 1.754 42.562 40.800 0.013 0.000 1.090 349 D HN 0.274 nan 8.370 nan 0.000 0.502 350 P HA -0.047 nan 4.420 nan 0.000 0.225 350 P C 1.112 178.404 177.300 -0.014 0.000 1.148 350 P CA 0.755 63.851 63.100 -0.008 0.000 0.779 350 P CB 0.295 31.988 31.700 -0.012 0.000 0.780 351 L N -1.862 119.353 121.223 -0.013 0.000 2.693 351 L HA 0.208 4.551 4.340 0.006 0.000 0.235 351 L C 1.290 178.141 176.870 -0.032 0.000 1.127 351 L CA 0.421 55.246 54.840 -0.024 0.000 0.914 351 L CB 0.086 42.129 42.059 -0.027 0.000 1.193 351 L HN -0.138 nan 8.230 nan 0.000 0.502 352 D N -1.005 119.384 120.400 -0.020 0.000 2.500 352 D HA 0.093 4.736 4.640 0.006 0.000 0.218 352 D C 0.243 176.545 176.300 0.003 0.000 1.140 352 D CA 0.275 54.254 54.000 -0.035 0.000 0.830 352 D CB 0.783 41.561 40.800 -0.038 0.000 1.055 352 D HN -0.047 nan 8.370 nan 0.000 0.512 353 S N -0.011 115.712 115.700 0.039 0.000 2.480 353 S HA 0.611 5.084 4.470 0.006 0.000 0.286 353 S C 0.201 174.844 174.600 0.073 0.000 1.180 353 S CA -0.603 57.652 58.200 0.092 0.000 1.075 353 S CB 1.739 65.006 63.200 0.111 0.000 0.996 353 S HN 0.266 nan 8.310 nan 0.000 0.487 354 T N -1.047 113.569 114.554 0.103 0.000 2.865 354 T HA 0.811 5.164 4.350 0.006 0.000 0.294 354 T C -0.694 174.077 174.700 0.118 0.000 1.119 354 T CA -0.909 61.240 62.100 0.081 0.000 1.007 354 T CB 1.846 70.744 68.868 0.050 0.000 1.225 354 T HN 0.473 nan 8.240 nan 0.000 0.515 355 S N -1.016 114.743 115.700 0.098 0.000 2.572 355 S HA 0.370 4.843 4.470 0.006 0.000 0.274 355 S C 0.665 175.314 174.600 0.080 0.000 1.150 355 S CA -0.841 57.425 58.200 0.110 0.000 0.944 355 S CB 1.509 64.779 63.200 0.117 0.000 1.071 355 S HN 0.773 nan 8.310 nan 0.000 0.479 356 R N 2.387 122.932 120.500 0.075 0.000 2.193 356 R HA -0.018 4.326 4.340 0.006 0.000 0.229 356 R C 1.672 177.996 176.300 0.041 0.000 1.110 356 R CA 1.903 58.035 56.100 0.053 0.000 0.988 356 R CB -0.567 29.762 30.300 0.047 0.000 0.871 356 R HN 0.831 nan 8.270 nan 0.000 0.458 357 I N -2.641 117.955 120.570 0.043 0.000 3.793 357 I HA 0.159 4.332 4.170 0.006 0.000 0.315 357 I C 0.677 176.798 176.117 0.008 0.000 1.275 357 I CA -0.270 61.043 61.300 0.021 0.000 1.214 357 I CB 0.094 38.107 38.000 0.021 0.000 1.018 357 I HN -0.086 nan 8.210 nan 0.000 0.439 358 M N 3.253 122.874 119.600 0.035 0.000 3.282 358 M HA 0.230 4.714 4.480 0.006 0.000 0.242 358 M C -0.806 175.581 176.300 0.145 0.000 1.568 358 M CA 0.224 55.567 55.300 0.071 0.000 1.668 358 M CB -1.270 31.378 32.600 0.080 0.000 1.236 358 M HN 0.287 nan 8.290 nan 0.000 0.527 359 D N 4.344 124.769 120.400 0.042 0.000 2.964 359 D HA 0.378 5.022 4.640 0.006 0.000 0.234 359 D C -2.423 173.755 176.300 -0.203 0.000 1.223 359 D CA -1.510 52.423 54.000 -0.113 0.000 0.889 359 D CB 2.456 43.209 40.800 -0.079 0.000 1.609 359 D HN 0.156 nan 8.370 nan 0.000 0.523 360 P HA -0.083 nan 4.420 nan 0.000 0.220 360 P C 0.674 177.883 177.300 -0.151 0.000 1.148 360 P CA 0.665 63.575 63.100 -0.315 0.000 0.803 360 P CB 0.491 31.899 31.700 -0.487 0.000 0.782 361 N N -0.556 118.056 118.700 -0.147 0.000 2.512 361 N HA 0.025 4.769 4.740 0.006 0.000 0.183 361 N C 1.713 177.191 175.510 -0.054 0.000 1.073 361 N CA 0.719 53.719 53.050 -0.083 0.000 0.911 361 N CB -0.067 38.375 38.487 -0.076 0.000 0.964 361 N HN 0.339 nan 8.380 nan 0.000 0.447 362 I N -0.606 119.929 120.570 -0.057 0.000 3.443 362 I HA -0.042 4.131 4.170 0.006 0.000 0.277 362 I C 1.759 177.858 176.117 -0.030 0.000 1.169 362 I CA 0.260 61.539 61.300 -0.035 0.000 1.419 362 I CB 0.236 38.217 38.000 -0.032 0.000 1.331 362 I HN -0.125 nan 8.210 nan 0.000 0.458 363 V N -1.083 118.796 119.914 -0.058 0.000 3.608 363 V HA 0.544 4.667 4.120 0.006 0.000 0.269 363 V C 0.915 177.025 176.094 0.026 0.000 1.245 363 V CA 0.217 62.471 62.300 -0.077 0.000 1.138 363 V CB -1.035 30.562 31.823 -0.377 0.000 0.841 363 V HN 0.470 nan 8.190 nan 0.000 0.451 364 G N 1.048 109.863 108.800 0.024 0.000 2.712 364 G HA2 -0.138 3.825 3.960 0.006 0.000 0.686 364 G HA3 -0.138 3.825 3.960 0.006 0.000 0.686 364 G C 0.417 175.378 174.900 0.101 0.000 1.321 364 G CA 0.273 45.408 45.100 0.058 0.000 0.813 364 G HN 1.299 nan 8.290 nan 0.000 0.599 365 S N -0.674 115.082 115.700 0.092 0.000 2.436 365 S HA 0.018 4.491 4.470 0.006 0.000 0.228 365 S C 1.718 176.427 174.600 0.181 0.000 1.014 365 S CA 1.565 59.843 58.200 0.130 0.000 0.950 365 S CB 0.077 63.323 63.200 0.076 0.000 0.784 365 S HN 0.860 nan 8.310 nan 0.000 0.504 366 E N 1.121 121.412 120.200 0.152 0.000 2.047 366 E HA -0.248 4.106 4.350 0.006 0.000 0.191 366 E C 2.027 178.743 176.600 0.194 0.000 0.987 366 E CA 1.154 57.641 56.400 0.145 0.000 0.799 366 E CB -0.319 29.447 29.700 0.110 0.000 0.752 366 E HN 0.857 nan 8.360 nan 0.000 0.449 367 H N -1.336 117.794 119.070 0.099 0.000 2.293 367 H HA -0.215 4.344 4.556 0.005 0.000 0.300 367 H C 2.159 177.540 175.328 0.089 0.000 1.082 367 H CA 1.695 57.797 56.048 0.089 0.000 1.308 367 H CB -0.148 29.666 29.762 0.088 0.000 1.375 367 H HN 0.240 nan 8.280 nan 0.000 0.495 368 Y N 1.733 122.126 120.300 0.154 0.000 2.114 368 Y HA -0.284 4.269 4.550 0.006 0.000 0.282 368 Y C 2.056 177.999 175.900 0.071 0.000 1.165 368 Y CA 2.144 60.279 58.100 0.057 0.000 1.148 368 Y CB -0.377 38.084 38.460 0.002 0.000 0.972 368 Y HN 0.360 nan 8.280 nan 0.000 0.504 369 D N -0.731 119.741 120.400 0.120 0.000 2.117 369 D HA -0.164 4.480 4.640 0.006 0.000 0.197 369 D C 2.406 178.692 176.300 -0.023 0.000 0.987 369 D CA 1.622 55.639 54.000 0.029 0.000 0.829 369 D CB -0.453 40.411 40.800 0.107 0.000 0.961 369 D HN 0.325 nan 8.370 nan 0.000 0.460 370 V N 1.552 121.482 119.914 0.028 0.000 2.307 370 V HA -0.216 3.907 4.120 0.006 0.000 0.245 370 V C 2.582 178.655 176.094 -0.036 0.000 1.045 370 V CA 1.697 64.012 62.300 0.025 0.000 1.024 370 V CB -0.873 30.991 31.823 0.069 0.000 0.651 370 V HN 0.165 nan 8.190 nan 0.000 0.449 371 A N 0.122 122.914 122.820 -0.048 0.000 1.873 371 A HA -0.262 4.061 4.320 0.006 0.000 0.218 371 A C 2.319 179.800 177.584 -0.172 0.000 1.193 371 A CA 1.991 53.963 52.037 -0.108 0.000 0.629 371 A CB -0.536 18.434 19.000 -0.050 0.000 0.826 371 A HN 0.391 nan 8.150 nan 0.000 0.447 372 R N -0.556 119.783 120.500 -0.268 0.000 2.096 372 R HA -0.075 4.268 4.340 0.006 0.000 0.235 372 R C 2.336 178.559 176.300 -0.128 0.000 1.127 372 R CA 1.208 57.157 56.100 -0.252 0.000 0.968 372 R CB -1.712 28.362 30.300 -0.377 0.000 0.861 372 R HN 0.556 nan 8.270 nan 0.000 0.440 373 G N 0.083 108.829 108.800 -0.090 0.000 2.402 373 G HA2 -0.178 3.785 3.960 0.006 0.000 0.216 373 G HA3 -0.178 3.785 3.960 0.006 0.000 0.216 373 G C 1.567 176.449 174.900 -0.030 0.000 1.162 373 G CA 0.764 45.840 45.100 -0.040 0.000 0.777 373 G HN 0.169 nan 8.290 nan 0.000 0.539 374 V N 0.761 120.649 119.914 -0.043 0.000 2.255 374 V HA -0.291 3.832 4.120 0.006 0.000 0.247 374 V C 2.934 179.004 176.094 -0.041 0.000 1.051 374 V CA 2.353 64.628 62.300 -0.042 0.000 1.018 374 V CB -0.718 31.028 31.823 -0.127 0.000 0.641 374 V HN 0.444 nan 8.190 nan 0.000 0.445 375 Q N -0.331 119.430 119.800 -0.065 0.000 2.124 375 Q HA -0.264 4.079 4.340 0.006 0.000 0.202 375 Q C 2.375 178.359 176.000 -0.027 0.000 0.977 375 Q CA 1.744 57.518 55.803 -0.049 0.000 0.850 375 Q CB -0.256 28.441 28.738 -0.068 0.000 0.901 375 Q HN 0.609 nan 8.270 nan 0.000 0.429 376 K N 1.074 121.456 120.400 -0.029 0.000 2.002 376 K HA -0.173 4.151 4.320 0.006 0.000 0.209 376 K C 2.041 178.645 176.600 0.008 0.000 1.048 376 K CA 1.141 57.420 56.287 -0.013 0.000 0.930 376 K CB -0.181 32.309 32.500 -0.016 0.000 0.714 376 K HN 0.165 nan 8.250 nan 0.000 0.438 377 I N 1.113 121.690 120.570 0.010 0.000 2.226 377 I HA -0.283 3.891 4.170 0.006 0.000 0.245 377 I C 1.911 178.068 176.117 0.066 0.000 1.100 377 I CA 1.138 62.454 61.300 0.027 0.000 1.374 377 I CB 0.064 38.069 38.000 0.009 0.000 1.057 377 I HN 0.228 nan 8.210 nan 0.000 0.413 378 L N -0.016 121.243 121.223 0.061 0.000 2.093 378 L HA -0.228 4.115 4.340 0.006 0.000 0.208 378 L C 2.577 179.500 176.870 0.087 0.000 1.085 378 L CA 1.290 56.193 54.840 0.104 0.000 0.755 378 L CB -0.668 41.429 42.059 0.064 0.000 0.904 378 L HN 0.337 nan 8.230 nan 0.000 0.435 379 Q N 0.334 120.157 119.800 0.038 0.000 2.079 379 Q HA -0.196 4.147 4.340 0.006 0.000 0.200 379 Q C 1.737 177.750 176.000 0.023 0.000 0.974 379 Q CA 1.668 57.479 55.803 0.013 0.000 0.840 379 Q CB -0.063 28.672 28.738 -0.005 0.000 0.898 379 Q HN 0.346 nan 8.270 nan 0.000 0.430 380 D N -0.732 119.693 120.400 0.043 0.000 2.116 380 D HA -0.199 4.444 4.640 0.006 0.000 0.193 380 D C 1.584 177.944 176.300 0.100 0.000 0.998 380 D CA 1.348 55.380 54.000 0.054 0.000 0.836 380 D CB -0.495 40.336 40.800 0.052 0.000 0.951 380 D HN 0.347 nan 8.370 nan 0.000 0.449 381 Y N 1.676 121.966 120.300 -0.016 0.000 2.181 381 Y HA -0.172 4.382 4.550 0.005 0.000 0.288 381 Y C 2.219 178.110 175.900 -0.016 0.000 1.146 381 Y CA 1.511 59.602 58.100 -0.016 0.000 1.164 381 Y CB -0.332 38.118 38.460 -0.016 0.000 0.982 381 Y HN -0.163 nan 8.280 nan 0.000 0.515 382 K N -0.128 120.184 120.400 -0.146 0.000 2.103 382 K HA -0.173 4.150 4.320 0.006 0.000 0.207 382 K C 2.322 178.824 176.600 -0.164 0.000 1.048 382 K CA 1.694 57.842 56.287 -0.232 0.000 0.930 382 K CB -0.303 32.126 32.500 -0.119 0.000 0.716 382 K HN 0.470 nan 8.250 nan 0.000 0.444 383 S N -0.058 115.592 115.700 -0.084 0.000 2.461 383 S HA -0.029 4.444 4.470 0.006 0.000 0.228 383 S C 1.712 176.281 174.600 -0.052 0.000 1.005 383 S CA 0.477 58.642 58.200 -0.058 0.000 0.942 383 S CB -0.158 63.025 63.200 -0.028 0.000 0.776 383 S HN 0.283 nan 8.310 nan 0.000 0.514 384 L N 0.543 121.736 121.223 -0.049 0.000 2.554 384 L HA 0.189 4.532 4.340 0.006 0.000 0.226 384 L C 2.658 179.491 176.870 -0.062 0.000 1.137 384 L CA 0.419 55.246 54.840 -0.020 0.000 0.863 384 L CB -0.316 41.778 42.059 0.058 0.000 0.985 384 L HN 0.358 nan 8.230 nan 0.000 0.451 385 Q N -0.323 119.385 119.800 -0.152 0.000 2.378 385 Q HA -0.155 4.188 4.340 0.006 0.000 0.205 385 Q C 1.241 177.181 176.000 -0.100 0.000 0.954 385 Q CA 0.689 56.384 55.803 -0.180 0.000 0.901 385 Q CB 0.175 28.720 28.738 -0.322 0.000 0.981 385 Q HN 0.402 nan 8.270 nan 0.000 0.483 386 D N 0.809 121.164 120.400 -0.076 0.000 2.084 386 D HA -0.139 4.505 4.640 0.006 0.000 0.194 386 D C 1.723 178.004 176.300 -0.033 0.000 0.990 386 D CA 1.081 55.051 54.000 -0.050 0.000 0.826 386 D CB -0.041 40.734 40.800 -0.041 0.000 0.971 386 D HN 0.231 nan 8.370 nan 0.000 0.453 387 I N 0.511 121.066 120.570 -0.025 0.000 2.226 387 I HA -0.220 3.953 4.170 0.006 0.000 0.245 387 I C 2.010 178.124 176.117 -0.006 0.000 1.100 387 I CA 0.464 61.757 61.300 -0.011 0.000 1.374 387 I CB -0.357 37.641 38.000 -0.004 0.000 1.057 387 I HN -0.002 nan 8.210 nan 0.000 0.413 388 I N 1.904 122.471 120.570 -0.005 0.000 2.194 388 I HA -0.282 3.891 4.170 0.006 0.000 0.246 388 I C 2.933 179.049 176.117 -0.001 0.000 1.093 388 I CA 1.757 63.062 61.300 0.008 0.000 1.355 388 I CB -1.788 36.226 38.000 0.023 0.000 1.046 388 I HN 0.207 nan 8.210 nan 0.000 0.413 389 A N 0.660 123.470 122.820 -0.016 0.000 1.933 389 A HA -0.140 4.183 4.320 0.006 0.000 0.218 389 A C 2.316 179.894 177.584 -0.010 0.000 1.175 389 A CA 1.378 53.405 52.037 -0.016 0.000 0.628 389 A CB -0.426 18.558 19.000 -0.027 0.000 0.814 389 A HN 0.323 nan 8.150 nan 0.000 0.444 390 I N -1.198 119.367 120.570 -0.009 0.000 2.385 390 I HA -0.015 4.158 4.170 0.006 0.000 0.244 390 I C 2.222 178.338 176.117 -0.002 0.000 1.089 390 I CA 1.032 62.328 61.300 -0.006 0.000 1.410 390 I CB -0.830 37.166 38.000 -0.007 0.000 1.117 390 I HN 0.252 nan 8.210 nan 0.000 0.429 391 L N -0.263 120.960 121.223 -0.000 0.000 2.408 391 L HA 0.300 4.643 4.340 0.006 0.000 0.215 391 L C 1.061 177.934 176.870 0.007 0.000 1.081 391 L CA 0.434 55.276 54.840 0.003 0.000 0.840 391 L CB -0.020 42.041 42.059 0.003 0.000 1.002 391 L HN 0.440 nan 8.230 nan 0.000 0.468 392 G N -0.588 108.218 108.800 0.009 0.000 2.728 392 G HA2 -0.254 3.710 3.960 0.006 0.000 0.294 392 G HA3 -0.254 3.710 3.960 0.006 0.000 0.294 392 G C 0.317 175.230 174.900 0.021 0.000 1.342 392 G CA -0.229 44.880 45.100 0.015 0.000 0.866 392 G HN -0.155 nan 8.290 nan 0.000 0.534 393 M N 0.013 119.629 119.600 0.025 0.000 2.149 393 M HA -0.064 4.420 4.480 0.006 0.000 0.261 393 M C 2.021 178.333 176.300 0.019 0.000 1.064 393 M CA 2.259 57.575 55.300 0.028 0.000 1.102 393 M CB -1.215 31.400 32.600 0.025 0.000 1.369 393 M HN 0.623 nan 8.290 nan 0.000 0.408 394 D N 0.252 120.661 120.400 0.015 0.000 2.218 394 D HA -0.136 4.507 4.640 0.006 0.000 0.204 394 D C 1.643 177.949 176.300 0.010 0.000 0.976 394 D CA 0.935 54.941 54.000 0.011 0.000 0.853 394 D CB -0.078 40.728 40.800 0.009 0.000 0.939 394 D HN 0.346 nan 8.370 nan 0.000 0.481 395 E N 0.064 120.271 120.200 0.011 0.000 2.502 395 E HA 0.077 4.430 4.350 0.006 0.000 0.194 395 E C 0.741 177.347 176.600 0.011 0.000 1.062 395 E CA -0.071 56.334 56.400 0.009 0.000 0.867 395 E CB 0.318 30.023 29.700 0.008 0.000 0.888 395 E HN 0.367 nan 8.360 nan 0.000 0.510 396 L N 1.572 122.804 121.223 0.015 0.000 2.418 396 L HA 0.113 4.457 4.340 0.006 0.000 0.265 396 L C 1.065 177.942 176.870 0.012 0.000 1.143 396 L CA -0.480 54.370 54.840 0.016 0.000 0.809 396 L CB 0.798 42.872 42.059 0.024 0.000 1.124 396 L HN -0.038 nan 8.230 nan 0.000 0.456 397 S N 0.239 115.946 115.700 0.011 0.000 2.596 397 S HA 0.013 4.487 4.470 0.006 0.000 0.260 397 S C 0.756 175.361 174.600 0.008 0.000 1.336 397 S CA -0.466 57.739 58.200 0.009 0.000 0.993 397 S CB 1.225 64.429 63.200 0.008 0.000 0.923 397 S HN 0.649 nan 8.310 nan 0.000 0.567 398 E N 0.259 120.462 120.200 0.005 0.000 2.268 398 E HA -0.101 4.252 4.350 0.006 0.000 0.195 398 E C 1.829 178.430 176.600 0.002 0.000 0.995 398 E CA 1.307 57.709 56.400 0.003 0.000 0.836 398 E CB -0.172 29.529 29.700 0.003 0.000 0.763 398 E HN 0.813 nan 8.360 nan 0.000 0.491 399 E N -0.073 120.129 120.200 0.003 0.000 2.112 399 E HA -0.152 4.201 4.350 0.006 0.000 0.190 399 E C 0.846 177.448 176.600 0.004 0.000 0.979 399 E CA 1.046 57.447 56.400 0.002 0.000 0.814 399 E CB 0.094 29.796 29.700 0.003 0.000 0.762 399 E HN 0.194 nan 8.360 nan 0.000 0.460 400 D N 0.692 121.099 120.400 0.010 0.000 2.183 400 D HA -0.068 4.575 4.640 0.006 0.000 0.203 400 D C 1.692 178.002 176.300 0.016 0.000 0.969 400 D CA 0.711 54.723 54.000 0.020 0.000 0.842 400 D CB 0.021 40.837 40.800 0.028 0.000 0.957 400 D HN 0.136 nan 8.370 nan 0.000 0.484 401 K N 0.098 120.503 120.400 0.007 0.000 2.147 401 K HA -0.103 4.221 4.320 0.006 0.000 0.205 401 K C 1.941 178.526 176.600 -0.026 0.000 1.049 401 K CA 0.337 56.622 56.287 -0.003 0.000 0.936 401 K CB 0.013 32.513 32.500 -0.001 0.000 0.722 401 K HN 0.057 nan 8.250 nan 0.000 0.446 402 L N 1.088 122.298 121.223 -0.022 0.000 2.044 402 L HA -0.154 4.189 4.340 0.006 0.000 0.205 402 L C 2.500 179.336 176.870 -0.056 0.000 1.075 402 L CA 2.032 56.851 54.840 -0.035 0.000 0.747 402 L CB -0.869 41.177 42.059 -0.021 0.000 0.903 402 L HN 0.271 nan 8.230 nan 0.000 0.435 403 T N -3.812 110.718 114.554 -0.040 0.000 2.746 403 T HA -0.175 4.178 4.350 0.006 0.000 0.267 403 T C 1.888 176.514 174.700 -0.124 0.000 1.039 403 T CA 1.554 63.624 62.100 -0.050 0.000 1.142 403 T CB -1.191 67.676 68.868 -0.002 0.000 0.866 403 T HN 0.127 nan 8.240 nan 0.000 0.444 404 V N 2.747 122.586 119.914 -0.125 0.000 2.282 404 V HA -0.205 3.918 4.120 0.006 0.000 0.249 404 V C 3.234 179.093 176.094 -0.392 0.000 1.057 404 V CA 2.364 64.473 62.300 -0.318 0.000 1.032 404 V CB -1.159 30.603 31.823 -0.102 0.000 0.645 404 V HN 0.829 nan 8.190 nan 0.000 0.447 405 S N -0.316 115.256 115.700 -0.213 0.000 2.428 405 S HA -0.148 4.325 4.470 0.006 0.000 0.230 405 S C 2.078 176.551 174.600 -0.212 0.000 1.014 405 S CA 1.099 59.187 58.200 -0.187 0.000 0.957 405 S CB -0.341 62.796 63.200 -0.106 0.000 0.784 405 S HN 0.555 nan 8.310 nan 0.000 0.499 406 R N 0.829 121.215 120.500 -0.191 0.000 2.075 406 R HA 0.222 4.565 4.340 0.006 0.000 0.226 406 R C 2.784 178.962 176.300 -0.203 0.000 1.114 406 R CA 1.072 57.061 56.100 -0.185 0.000 0.972 406 R CB -0.675 29.555 30.300 -0.117 0.000 0.869 406 R HN 0.551 nan 8.270 nan 0.000 0.437 407 A N 1.258 123.936 122.820 -0.236 0.000 1.883 407 A HA -0.205 4.118 4.320 0.006 0.000 0.217 407 A C 2.053 179.484 177.584 -0.254 0.000 1.186 407 A CA 1.409 53.304 52.037 -0.238 0.000 0.624 407 A CB -0.411 18.377 19.000 -0.354 0.000 0.822 407 A HN 0.227 nan 8.150 nan 0.000 0.444 408 R N -0.497 119.772 120.500 -0.386 0.000 2.120 408 R HA -0.091 4.253 4.340 0.006 0.000 0.234 408 R C 2.186 178.391 176.300 -0.158 0.000 1.123 408 R CA 1.576 57.532 56.100 -0.241 0.000 0.975 408 R CB -0.209 29.943 30.300 -0.246 0.000 0.866 408 R HN 0.526 nan 8.270 nan 0.000 0.446 409 K N 0.369 120.615 120.400 -0.258 0.000 2.031 409 K HA -0.059 4.265 4.320 0.006 0.000 0.205 409 K C 2.006 178.446 176.600 -0.267 0.000 1.049 409 K CA 1.108 57.128 56.287 -0.445 0.000 0.939 409 K CB -0.075 31.919 32.500 -0.844 0.000 0.717 409 K HN 0.057 nan 8.250 nan 0.000 0.438 410 I N 1.608 122.110 120.570 -0.114 0.000 2.163 410 I HA -0.348 3.825 4.170 0.006 0.000 0.243 410 I C 2.460 178.724 176.117 0.245 0.000 1.085 410 I CA 1.479 62.878 61.300 0.166 0.000 1.347 410 I CB -0.165 37.933 38.000 0.164 0.000 1.044 410 I HN 0.215 nan 8.210 nan 0.000 0.408 411 Q N 0.054 119.927 119.800 0.121 0.000 2.077 411 Q HA -0.257 4.086 4.340 0.006 0.000 0.206 411 Q C 2.402 178.506 176.000 0.173 0.000 0.989 411 Q CA 1.762 57.644 55.803 0.133 0.000 0.853 411 Q CB -0.150 28.647 28.738 0.098 0.000 0.907 411 Q HN 0.462 nan 8.270 nan 0.000 0.418 412 R N -0.740 119.871 120.500 0.185 0.000 2.090 412 R HA -0.079 4.264 4.340 0.006 0.000 0.228 412 R C 1.942 178.425 176.300 0.305 0.000 1.110 412 R CA 0.878 57.142 56.100 0.274 0.000 0.973 412 R CB -0.221 30.256 30.300 0.296 0.000 0.869 412 R HN 0.166 nan 8.270 nan 0.000 0.440 413 F N 1.125 121.165 119.950 0.151 0.000 2.408 413 F HA -0.041 4.490 4.527 0.006 0.000 0.300 413 F C 1.464 177.392 175.800 0.213 0.000 1.090 413 F CA 1.046 59.107 58.000 0.101 0.000 1.427 413 F CB 0.092 39.015 39.000 -0.129 0.000 1.070 413 F HN -0.074 nan 8.300 nan 0.000 0.549 414 L N -0.674 120.709 121.223 0.266 0.000 2.418 414 L HA 0.004 4.347 4.340 0.006 0.000 0.218 414 L C 1.549 178.440 176.870 0.035 0.000 1.125 414 L CA 0.299 55.252 54.840 0.188 0.000 0.835 414 L CB -0.794 41.364 42.059 0.165 0.000 0.953 414 L HN 0.071 nan 8.230 nan 0.000 0.454 415 S N -0.140 115.572 115.700 0.020 0.000 2.589 415 S HA 0.270 4.743 4.470 0.006 0.000 0.265 415 S C -0.250 174.262 174.600 -0.146 0.000 1.342 415 S CA -0.407 57.758 58.200 -0.059 0.000 1.005 415 S CB 1.520 64.693 63.200 -0.045 0.000 0.909 415 S HN 0.301 nan 8.310 nan 0.000 0.555 416 Q N 0.187 119.873 119.800 -0.190 0.000 2.468 416 Q HA 0.362 4.706 4.340 0.006 0.000 0.263 416 Q C -3.181 172.717 176.000 -0.170 0.000 0.979 416 Q CA -1.688 54.026 55.803 -0.148 0.000 0.932 416 Q CB 2.056 30.795 28.738 0.001 0.000 1.462 416 Q HN 0.513 nan 8.270 nan 0.000 0.403 417 P HA 0.175 nan 4.420 nan 0.000 0.276 417 P C -1.110 176.336 177.300 0.244 0.000 1.243 417 P CA 0.450 63.556 63.100 0.009 0.000 0.768 417 P CB 0.109 31.816 31.700 0.012 0.000 0.856 418 F N 1.573 121.532 119.950 0.015 0.000 2.404 418 F HA 0.213 4.744 4.527 0.006 0.000 0.339 418 F C 2.214 178.029 175.800 0.026 0.000 1.105 418 F CA -0.746 57.267 58.000 0.022 0.000 1.087 418 F CB 1.797 40.817 39.000 0.033 0.000 1.143 418 F HN 0.372 nan 8.300 nan 0.000 0.491 419 Q N 1.727 121.630 119.800 0.171 0.000 2.173 419 Q HA -0.175 4.169 4.340 0.006 0.000 0.208 419 Q C 1.655 177.713 176.000 0.097 0.000 0.989 419 Q CA 1.699 57.556 55.803 0.090 0.000 0.872 419 Q CB 0.019 28.775 28.738 0.031 0.000 0.909 419 Q HN 0.633 nan 8.270 nan 0.000 0.420 420 V N -0.127 119.862 119.914 0.125 0.000 2.970 420 V HA -0.072 4.051 4.120 0.006 0.000 0.260 420 V C 1.376 177.580 176.094 0.184 0.000 1.100 420 V CA 1.410 63.784 62.300 0.123 0.000 1.122 420 V CB 0.066 31.949 31.823 0.100 0.000 0.721 420 V HN 0.459 nan 8.190 nan 0.000 0.483 421 A N -1.327 121.629 122.820 0.226 0.000 2.574 421 A HA 0.244 4.567 4.320 0.006 0.000 0.283 421 A C 1.576 179.262 177.584 0.171 0.000 1.270 421 A CA -0.182 52.011 52.037 0.260 0.000 0.945 421 A CB -0.150 18.959 19.000 0.183 0.000 1.127 421 A HN 0.499 nan 8.150 nan 0.000 0.522 422 E N -0.300 119.952 120.200 0.087 0.000 2.160 422 E HA -0.147 4.206 4.350 0.006 0.000 0.195 422 E C 1.583 178.139 176.600 -0.072 0.000 0.991 422 E CA 1.350 57.763 56.400 0.022 0.000 0.810 422 E CB -0.110 29.597 29.700 0.011 0.000 0.742 422 E HN 0.430 nan 8.360 nan 0.000 0.466 423 V N 0.436 120.239 119.914 -0.186 0.000 2.490 423 V HA -0.226 3.897 4.120 0.006 0.000 0.250 423 V C 1.658 177.443 176.094 -0.515 0.000 1.061 423 V CA 1.648 63.699 62.300 -0.415 0.000 1.064 423 V CB -0.436 31.009 31.823 -0.630 0.000 0.670 423 V HN 0.222 nan 8.190 nan 0.000 0.461 424 F N 0.335 120.255 119.950 -0.050 0.000 2.446 424 F HA -0.022 4.508 4.527 0.005 0.000 0.292 424 F C 2.599 178.362 175.800 -0.060 0.000 1.096 424 F CA 1.181 59.140 58.000 -0.069 0.000 1.438 424 F CB -0.727 38.199 39.000 -0.123 0.000 1.107 424 F HN 0.233 nan 8.300 nan 0.000 0.546 425 T N -3.329 111.283 114.554 0.097 0.000 3.009 425 T HA 0.273 4.626 4.350 0.006 0.000 0.258 425 T C 1.925 176.589 174.700 -0.060 0.000 1.063 425 T CA 0.705 62.858 62.100 0.088 0.000 1.139 425 T CB -0.344 68.609 68.868 0.140 0.000 0.890 425 T HN 0.395 nan 8.240 nan 0.000 0.471 426 G N 1.248 109.978 108.800 -0.118 0.000 2.153 426 G HA2 -0.215 3.748 3.960 0.006 0.000 0.252 426 G HA3 -0.215 3.748 3.960 0.006 0.000 0.252 426 G C -0.163 174.514 174.900 -0.373 0.000 0.994 426 G CA 0.427 45.386 45.100 -0.235 0.000 0.698 426 G HN 0.858 nan 8.290 nan 0.000 0.521 427 H N -1.797 117.266 119.070 -0.011 0.000 2.690 427 H HA 0.626 5.186 4.556 0.006 0.000 0.368 427 H C 0.141 175.465 175.328 -0.006 0.000 1.150 427 H CA -1.038 55.002 56.048 -0.014 0.000 1.174 427 H CB 1.758 31.502 29.762 -0.031 0.000 1.684 427 H HN 0.210 nan 8.280 nan 0.000 0.538 428 L N 1.638 122.936 121.223 0.125 0.000 2.456 428 L HA 0.256 4.599 4.340 0.006 0.000 0.272 428 L C 0.883 177.800 176.870 0.078 0.000 1.189 428 L CA 0.358 55.242 54.840 0.073 0.000 0.846 428 L CB 0.427 42.515 42.059 0.049 0.000 1.111 428 L HN 0.855 nan 8.230 nan 0.000 0.475 429 G N 3.615 112.459 108.800 0.073 0.000 2.491 429 G HA2 0.261 4.225 3.960 0.006 0.000 0.242 429 G HA3 0.261 4.225 3.960 0.006 0.000 0.242 429 G C -0.681 174.256 174.900 0.061 0.000 1.266 429 G CA -0.493 44.660 45.100 0.089 0.000 0.844 429 G HN 0.482 nan 8.290 nan 0.000 0.571 430 K N 0.709 121.153 120.400 0.073 0.000 2.375 430 K HA 0.486 4.809 4.320 0.006 0.000 0.249 430 K C -1.241 175.384 176.600 0.041 0.000 0.942 430 K CA -0.767 55.545 56.287 0.041 0.000 0.806 430 K CB 2.838 35.348 32.500 0.016 0.000 1.227 430 K HN 0.372 nan 8.250 nan 0.000 0.430 431 L N 1.899 123.133 121.223 0.018 0.000 2.381 431 L HA 0.452 4.795 4.340 0.006 0.000 0.274 431 L C -1.271 175.605 176.870 0.010 0.000 0.988 431 L CA -0.853 53.993 54.840 0.009 0.000 0.824 431 L CB 1.804 43.863 42.059 -0.000 0.000 1.263 431 L HN 0.252 nan 8.230 nan 0.000 0.410 432 V N 5.541 125.461 119.914 0.010 0.000 2.409 432 V HA 0.465 4.588 4.120 0.006 0.000 0.291 432 V C -2.173 173.934 176.094 0.022 0.000 1.020 432 V CA -1.791 60.517 62.300 0.014 0.000 0.848 432 V CB 1.411 33.235 31.823 0.003 0.000 0.990 432 V HN 0.665 nan 8.190 nan 0.000 0.430 433 P HA 0.086 nan 4.420 nan 0.000 0.268 433 P C 0.761 178.081 177.300 0.033 0.000 1.205 433 P CA -0.307 62.811 63.100 0.029 0.000 0.771 433 P CB 0.737 32.456 31.700 0.031 0.000 0.858 434 L N 4.014 125.254 121.223 0.028 0.000 2.043 434 L HA -0.235 4.108 4.340 0.006 0.000 0.212 434 L C 1.793 178.670 176.870 0.011 0.000 1.075 434 L CA 2.060 56.908 54.840 0.012 0.000 0.752 434 L CB -0.816 41.256 42.059 0.022 0.000 0.891 434 L HN 0.235 nan 8.230 nan 0.000 0.432 435 K N -0.057 120.361 120.400 0.030 0.000 2.097 435 K HA -0.172 4.152 4.320 0.006 0.000 0.206 435 K C 2.016 178.650 176.600 0.057 0.000 1.049 435 K CA 1.823 58.134 56.287 0.039 0.000 0.933 435 K CB -0.262 32.263 32.500 0.042 0.000 0.717 435 K HN 0.584 nan 8.250 nan 0.000 0.442 436 E N -0.091 120.148 120.200 0.065 0.000 2.158 436 E HA -0.068 4.286 4.350 0.006 0.000 0.191 436 E C 1.866 178.552 176.600 0.142 0.000 0.982 436 E CA 0.920 57.374 56.400 0.090 0.000 0.823 436 E CB 0.021 29.767 29.700 0.076 0.000 0.766 436 E HN 0.212 nan 8.360 nan 0.000 0.468 437 T N 1.610 116.247 114.554 0.138 0.000 2.674 437 T HA -0.126 4.227 4.350 0.006 0.000 0.265 437 T C 1.836 176.723 174.700 0.312 0.000 1.039 437 T CA 0.825 63.068 62.100 0.238 0.000 1.150 437 T CB -0.063 68.890 68.868 0.142 0.000 0.864 437 T HN 0.047 nan 8.240 nan 0.000 0.427 438 I N 1.518 122.166 120.570 0.130 0.000 2.127 438 I HA -0.146 4.027 4.170 0.006 0.000 0.241 438 I C 2.398 178.614 176.117 0.164 0.000 1.075 438 I CA 1.523 62.886 61.300 0.106 0.000 1.334 438 I CB -1.214 36.788 38.000 0.004 0.000 1.040 438 I HN 0.269 nan 8.210 nan 0.000 0.405 439 K N 0.806 121.281 120.400 0.125 0.000 2.009 439 K HA -0.178 4.146 4.320 0.006 0.000 0.210 439 K C 2.221 178.884 176.600 0.104 0.000 1.049 439 K CA 1.840 58.188 56.287 0.102 0.000 0.929 439 K CB -0.567 31.981 32.500 0.080 0.000 0.714 439 K HN 0.365 nan 8.250 nan 0.000 0.440 440 G N 0.449 109.313 108.800 0.106 0.000 2.529 440 G HA2 -0.271 3.692 3.960 0.006 0.000 0.219 440 G HA3 -0.271 3.692 3.960 0.006 0.000 0.219 440 G C 1.313 176.119 174.900 -0.157 0.000 1.177 440 G CA 1.221 46.281 45.100 -0.067 0.000 0.773 440 G HN 0.315 nan 8.290 nan 0.000 0.573 441 F N 0.377 120.411 119.950 0.140 0.000 2.206 441 F HA 0.055 4.585 4.527 0.005 0.000 0.298 441 F C 2.907 178.733 175.800 0.043 0.000 1.090 441 F CA 1.343 59.403 58.000 0.100 0.000 1.323 441 F CB -0.347 38.735 39.000 0.136 0.000 1.028 441 F HN 0.152 nan 8.300 nan 0.000 0.492 442 Q N 0.435 120.361 119.800 0.210 0.000 2.077 442 Q HA -0.295 4.048 4.340 0.006 0.000 0.206 442 Q C 2.115 178.150 176.000 0.058 0.000 0.989 442 Q CA 2.094 57.964 55.803 0.112 0.000 0.853 442 Q CB -0.126 28.667 28.738 0.092 0.000 0.907 442 Q HN 0.503 nan 8.270 nan 0.000 0.418 443 Q N -0.200 119.627 119.800 0.045 0.000 2.079 443 Q HA -0.122 4.221 4.340 0.006 0.000 0.200 443 Q C 2.141 178.131 176.000 -0.017 0.000 0.974 443 Q CA 1.407 57.202 55.803 -0.014 0.000 0.840 443 Q CB -0.033 28.721 28.738 0.027 0.000 0.898 443 Q HN 0.483 nan 8.270 nan 0.000 0.430 444 I N 0.575 121.176 120.570 0.052 0.000 2.226 444 I HA -0.292 3.881 4.170 0.006 0.000 0.245 444 I C 2.175 178.285 176.117 -0.013 0.000 1.100 444 I CA 1.112 62.427 61.300 0.025 0.000 1.374 444 I CB -0.323 37.614 38.000 -0.106 0.000 1.057 444 I HN 0.225 nan 8.210 nan 0.000 0.413 445 L N 0.716 121.951 121.223 0.019 0.000 2.083 445 L HA -0.175 4.169 4.340 0.006 0.000 0.209 445 L C 2.650 179.514 176.870 -0.009 0.000 1.083 445 L CA 1.248 56.096 54.840 0.013 0.000 0.752 445 L CB -0.566 41.517 42.059 0.041 0.000 0.899 445 L HN 0.244 nan 8.230 nan 0.000 0.433 446 A N -0.636 122.173 122.820 -0.018 0.000 2.239 446 A HA 0.175 4.498 4.320 0.006 0.000 0.209 446 A C 1.754 179.307 177.584 -0.052 0.000 1.171 446 A CA 0.902 52.919 52.037 -0.033 0.000 0.768 446 A CB -0.535 18.441 19.000 -0.041 0.000 0.790 446 A HN 0.575 nan 8.150 nan 0.000 0.478 447 G N -0.753 108.013 108.800 -0.056 0.000 2.157 447 G HA2 -0.266 3.698 3.960 0.006 0.000 0.248 447 G HA3 -0.266 3.698 3.960 0.006 0.000 0.248 447 G C 0.454 175.310 174.900 -0.073 0.000 0.979 447 G CA 0.470 45.541 45.100 -0.048 0.000 0.650 447 G HN 0.611 nan 8.290 nan 0.000 0.529 448 E N -0.943 119.143 120.200 -0.190 0.000 2.463 448 E HA 0.001 4.354 4.350 0.006 0.000 0.201 448 E C 0.692 177.019 176.600 -0.455 0.000 1.045 448 E CA 0.868 57.041 56.400 -0.377 0.000 0.872 448 E CB -0.067 29.254 29.700 -0.632 0.000 0.797 448 E HN 0.819 nan 8.360 nan 0.000 0.538 449 Y N -0.819 119.505 120.300 0.041 0.000 2.777 449 Y HA 0.118 4.671 4.550 0.005 0.000 0.248 449 Y C 0.732 176.555 175.900 -0.128 0.000 1.127 449 Y CA -0.670 57.374 58.100 -0.093 0.000 1.149 449 Y CB 0.762 39.257 38.460 0.058 0.000 1.230 449 Y HN -0.102 nan 8.280 nan 0.000 0.586 450 D N 0.325 120.782 120.400 0.094 0.000 2.263 450 D HA -0.171 4.472 4.640 0.006 0.000 0.208 450 D C 1.936 178.286 176.300 0.085 0.000 0.971 450 D CA 1.461 55.498 54.000 0.062 0.000 0.867 450 D CB -0.032 40.803 40.800 0.058 0.000 0.929 450 D HN 0.647 nan 8.370 nan 0.000 0.492 451 H N -0.223 118.904 119.070 0.094 0.000 2.448 451 H HA 0.077 4.636 4.556 0.006 0.000 0.292 451 H C 1.106 176.493 175.328 0.098 0.000 1.035 451 H CA 0.014 56.109 56.048 0.078 0.000 1.349 451 H CB -0.462 29.337 29.762 0.062 0.000 1.425 451 H HN 0.080 nan 8.280 nan 0.000 0.539 452 L N 3.606 124.654 121.223 -0.292 0.000 2.461 452 L HA 0.181 4.524 4.340 0.006 0.000 0.272 452 L C -1.909 174.999 176.870 0.063 0.000 1.197 452 L CA -1.755 53.022 54.840 -0.105 0.000 0.836 452 L CB 0.400 42.364 42.059 -0.159 0.000 1.105 452 L HN 0.114 nan 8.230 nan 0.000 0.477 453 P HA 0.111 nan 4.420 nan 0.000 0.277 453 P C 0.166 177.575 177.300 0.181 0.000 1.240 453 P CA -0.403 62.747 63.100 0.085 0.000 0.798 453 P CB 1.075 32.802 31.700 0.044 0.000 0.979 454 E N 0.990 121.271 120.200 0.136 0.000 2.086 454 E HA -0.291 4.062 4.350 0.006 0.000 0.205 454 E C 1.917 178.665 176.600 0.246 0.000 1.027 454 E CA 1.843 58.337 56.400 0.157 0.000 0.830 454 E CB -0.103 29.623 29.700 0.043 0.000 0.751 454 E HN 0.568 nan 8.360 nan 0.000 0.456 455 Q N -0.129 119.749 119.800 0.131 0.000 2.364 455 Q HA -0.074 4.269 4.340 0.006 0.000 0.209 455 Q C 1.914 177.993 176.000 0.132 0.000 0.977 455 Q CA 1.278 57.147 55.803 0.109 0.000 0.885 455 Q CB -0.085 28.680 28.738 0.045 0.000 0.941 455 Q HN 0.226 nan 8.270 nan 0.000 0.464 456 A N 0.425 123.285 122.820 0.067 0.000 2.067 456 A HA 0.001 4.324 4.320 0.006 0.000 0.219 456 A C 1.246 178.695 177.584 -0.226 0.000 1.158 456 A CA 0.527 52.483 52.037 -0.135 0.000 0.661 456 A CB -0.525 18.281 19.000 -0.323 0.000 0.801 456 A HN 0.334 nan 8.150 nan 0.000 0.452 457 F N -2.491 117.473 119.950 0.024 0.000 2.776 457 F HA 0.202 4.732 4.527 0.005 0.000 0.300 457 F C 0.651 176.554 175.800 0.171 0.000 1.116 457 F CA -0.408 57.644 58.000 0.087 0.000 1.375 457 F CB -0.255 38.780 39.000 0.060 0.000 1.109 457 F HN 0.277 nan 8.300 nan 0.000 0.585 458 Y N 1.618 122.001 120.300 0.138 0.000 2.359 458 Y HA 0.312 4.865 4.550 0.006 0.000 0.334 458 Y C 0.667 176.542 175.900 -0.042 0.000 1.058 458 Y CA -1.411 56.726 58.100 0.062 0.000 1.244 458 Y CB 0.251 38.745 38.460 0.056 0.000 1.187 458 Y HN 0.054 nan 8.280 nan 0.000 0.510 459 M N 5.684 124.970 119.600 -0.525 0.000 2.399 459 M HA -0.159 4.324 4.480 0.006 0.000 0.191 459 M C -1.209 174.846 176.300 -0.409 0.000 0.732 459 M CA 0.988 55.920 55.300 -0.613 0.000 0.512 459 M CB -2.545 29.490 32.600 -0.942 0.000 1.191 459 M HN 0.458 nan 8.290 nan 0.000 0.894 460 V N -3.023 116.750 119.914 -0.235 0.000 3.126 460 V HA 1.090 5.213 4.120 0.006 0.000 0.314 460 V C 0.742 176.755 176.094 -0.136 0.000 1.138 460 V CA -0.035 62.174 62.300 -0.152 0.000 1.034 460 V CB 1.729 33.513 31.823 -0.064 0.000 1.075 460 V HN 0.424 nan 8.190 nan 0.000 0.442 461 G N 0.455 109.208 108.800 -0.077 0.000 2.908 461 G HA2 0.450 4.414 3.960 0.006 0.000 0.188 461 G HA3 0.450 4.414 3.960 0.006 0.000 0.188 461 G C -2.212 172.673 174.900 -0.024 0.000 1.903 461 G CA -0.100 44.962 45.100 -0.063 0.000 0.883 461 G HN 0.765 nan 8.290 nan 0.000 0.515 462 P HA 0.199 nan 4.420 nan 0.000 0.274 462 P C 0.724 178.150 177.300 0.209 0.000 1.256 462 P CA -0.669 62.518 63.100 0.145 0.000 0.795 462 P CB 1.369 33.114 31.700 0.074 0.000 1.038 463 I N 0.806 121.486 120.570 0.184 0.000 2.335 463 I HA -0.260 3.913 4.170 0.006 0.000 0.251 463 I C 1.854 177.846 176.117 -0.207 0.000 1.129 463 I CA 1.749 62.956 61.300 -0.156 0.000 1.402 463 I CB -0.872 36.954 38.000 -0.290 0.000 1.069 463 I HN 0.298 nan 8.210 nan 0.000 0.424 464 E N 0.480 120.629 120.200 -0.085 0.000 2.130 464 E HA -0.255 4.099 4.350 0.006 0.000 0.196 464 E C 2.118 178.651 176.600 -0.112 0.000 0.998 464 E CA 1.714 58.064 56.400 -0.084 0.000 0.806 464 E CB -0.245 29.439 29.700 -0.027 0.000 0.738 464 E HN 0.593 nan 8.360 nan 0.000 0.459 465 E N -0.154 119.995 120.200 -0.086 0.000 2.106 465 E HA -0.120 4.233 4.350 0.006 0.000 0.192 465 E C 2.022 178.523 176.600 -0.166 0.000 0.984 465 E CA 0.840 57.184 56.400 -0.093 0.000 0.806 465 E CB -0.112 29.555 29.700 -0.055 0.000 0.750 465 E HN 0.290 nan 8.360 nan 0.000 0.458 466 A N 0.933 123.600 122.820 -0.255 0.000 1.969 466 A HA -0.091 4.232 4.320 0.006 0.000 0.218 466 A C 2.443 179.702 177.584 -0.542 0.000 1.169 466 A CA 0.803 52.558 52.037 -0.471 0.000 0.635 466 A CB -0.355 18.174 19.000 -0.785 0.000 0.810 466 A HN 0.084 nan 8.150 nan 0.000 0.445 467 V N -0.197 119.439 119.914 -0.464 0.000 2.323 467 V HA -0.198 3.926 4.120 0.006 0.000 0.244 467 V C 3.072 179.054 176.094 -0.186 0.000 1.041 467 V CA 1.792 63.892 62.300 -0.334 0.000 1.025 467 V CB -1.215 30.468 31.823 -0.232 0.000 0.656 467 V HN 0.590 nan 8.190 nan 0.000 0.451 468 A N -0.049 122.685 122.820 -0.142 0.000 1.892 468 A HA -0.327 3.997 4.320 0.006 0.000 0.218 468 A C 2.324 179.852 177.584 -0.093 0.000 1.188 468 A CA 2.491 54.474 52.037 -0.089 0.000 0.631 468 A CB -0.589 18.371 19.000 -0.066 0.000 0.822 468 A HN 0.532 nan 8.150 nan 0.000 0.447 469 K N -0.449 119.876 120.400 -0.125 0.000 2.103 469 K HA -0.110 4.213 4.320 0.006 0.000 0.207 469 K C 2.111 178.646 176.600 -0.108 0.000 1.048 469 K CA 1.248 57.471 56.287 -0.107 0.000 0.930 469 K CB -0.326 32.097 32.500 -0.127 0.000 0.716 469 K HN 0.402 nan 8.250 nan 0.000 0.444 470 A N 1.587 124.310 122.820 -0.162 0.000 1.877 470 A HA -0.188 4.135 4.320 0.006 0.000 0.216 470 A C 1.634 179.181 177.584 -0.062 0.000 1.186 470 A CA 1.968 53.926 52.037 -0.132 0.000 0.620 470 A CB -0.564 18.321 19.000 -0.191 0.000 0.822 470 A HN 0.394 nan 8.150 nan 0.000 0.443 471 D N -0.291 120.077 120.400 -0.053 0.000 2.117 471 D HA -0.141 4.502 4.640 0.006 0.000 0.197 471 D C 1.838 178.128 176.300 -0.017 0.000 0.987 471 D CA 1.317 55.304 54.000 -0.022 0.000 0.829 471 D CB -0.329 40.461 40.800 -0.017 0.000 0.961 471 D HN 0.462 nan 8.370 nan 0.000 0.460 472 K N 0.407 120.792 120.400 -0.024 0.000 2.103 472 K HA -0.068 4.255 4.320 0.006 0.000 0.207 472 K C 1.988 178.584 176.600 -0.006 0.000 1.048 472 K CA 0.476 56.755 56.287 -0.013 0.000 0.930 472 K CB -0.222 32.270 32.500 -0.013 0.000 0.716 472 K HN 0.133 nan 8.250 nan 0.000 0.444 473 L N 1.090 122.307 121.223 -0.010 0.000 2.633 473 L HA -0.065 4.278 4.340 0.006 0.000 0.235 473 L C 0.675 177.547 176.870 0.003 0.000 1.163 473 L CA 0.258 55.097 54.840 -0.001 0.000 0.859 473 L CB -0.717 41.339 42.059 -0.005 0.000 0.973 473 L HN 0.255 nan 8.230 nan 0.000 0.451 474 A N 0.000 122.821 122.820 0.002 0.000 2.254 474 A HA 0.000 4.323 4.320 0.006 0.000 0.244 474 A CA 0.000 52.041 52.037 0.007 0.000 0.836 474 A CB 0.000 19.004 19.000 0.007 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486