REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2jj1_1_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 0.000 174.813 174.700 0.188 0.000 1.109 9 T CA 0.000 62.176 62.100 0.127 0.000 1.349 9 T CB 0.000 68.925 68.868 0.095 0.000 0.612 10 T N 0.811 115.451 114.554 0.144 0.000 2.797 10 T HA 0.677 5.027 4.350 0.000 0.000 0.279 10 T C -0.215 174.431 174.700 -0.090 0.000 0.991 10 T CA 0.127 62.261 62.100 0.056 0.000 0.979 10 T CB 0.822 69.692 68.868 0.005 0.000 0.943 10 T HN 0.933 nan 8.240 nan 0.000 0.444 11 G N 3.454 112.022 108.800 -0.387 0.000 2.511 11 G HA2 0.718 4.678 3.960 0.000 0.000 0.318 11 G HA3 0.718 4.678 3.960 0.000 0.000 0.318 11 G C -1.241 173.346 174.900 -0.520 0.000 1.210 11 G CA -0.977 43.570 45.100 -0.921 0.000 0.969 11 G HN 0.789 nan 8.290 nan 0.000 0.484 12 R N 0.149 120.385 120.500 -0.439 0.000 2.599 12 R HA 0.429 4.769 4.340 0.000 0.000 0.295 12 R C -0.447 175.729 176.300 -0.207 0.000 0.963 12 R CA -0.817 55.137 56.100 -0.243 0.000 0.883 12 R CB 2.477 32.681 30.300 -0.160 0.000 1.171 12 R HN 0.380 nan 8.270 nan 0.000 0.450 13 I N 2.809 123.297 120.570 -0.138 0.000 2.556 13 I HA -0.064 4.106 4.170 0.000 0.000 0.284 13 I C 1.412 177.487 176.117 -0.070 0.000 1.114 13 I CA 0.090 61.336 61.300 -0.091 0.000 1.418 13 I CB 1.072 39.036 38.000 -0.060 0.000 1.394 13 I HN 0.581 nan 8.210 nan 0.000 0.552 14 V N 2.683 122.565 119.914 -0.053 0.000 3.604 14 V HA 0.629 4.749 4.120 0.000 0.000 0.277 14 V C 0.427 176.507 176.094 -0.023 0.000 1.399 14 V CA 0.242 62.519 62.300 -0.037 0.000 1.034 14 V CB 0.210 32.013 31.823 -0.034 0.000 0.824 14 V HN 0.729 nan 8.190 nan 0.000 0.439 15 A N -0.263 122.545 122.820 -0.019 0.000 2.566 15 A HA 0.812 5.132 4.320 0.000 0.000 0.297 15 A C -1.339 176.240 177.584 -0.008 0.000 1.059 15 A CA -0.367 51.664 52.037 -0.011 0.000 0.691 15 A CB 2.157 21.154 19.000 -0.005 0.000 1.282 15 A HN 0.483 nan 8.150 nan 0.000 0.401 16 V N 2.106 122.016 119.914 -0.007 0.000 2.709 16 V HA 0.776 4.896 4.120 0.000 0.000 0.308 16 V C -1.279 174.813 176.094 -0.004 0.000 1.062 16 V CA -0.364 61.933 62.300 -0.005 0.000 0.901 16 V CB 1.823 33.642 31.823 -0.007 0.000 1.003 16 V HN 1.070 nan 8.190 nan 0.000 0.425 17 I N 4.219 124.788 120.570 -0.002 0.000 2.622 17 I HA 0.697 4.867 4.170 0.000 0.000 0.283 17 I C 0.382 176.497 176.117 -0.003 0.000 1.202 17 I CA 1.108 62.407 61.300 -0.003 0.000 1.075 17 I CB 1.077 39.075 38.000 -0.003 0.000 1.274 17 I HN 0.981 nan 8.210 nan 0.000 0.450 18 G N 5.722 114.520 108.800 -0.004 0.000 2.652 18 G HA2 -0.281 3.679 3.960 0.000 0.000 0.318 18 G HA3 -0.281 3.679 3.960 0.000 0.000 0.318 18 G C 1.042 175.941 174.900 -0.003 0.000 1.295 18 G CA 0.834 45.931 45.100 -0.005 0.000 0.999 18 G HN 1.771 nan 8.290 nan 0.000 0.548 19 A N -1.042 121.776 122.820 -0.005 0.000 2.125 19 A HA 0.416 4.736 4.320 0.000 0.000 0.219 19 A C 1.272 178.858 177.584 0.003 0.000 1.156 19 A CA 2.036 54.072 52.037 -0.002 0.000 0.671 19 A CB -0.174 18.822 19.000 -0.007 0.000 0.794 19 A HN 1.386 nan 8.150 nan 0.000 0.459 20 V N 0.831 120.746 119.914 0.002 0.000 2.370 20 V HA 0.414 4.534 4.120 0.000 0.000 0.279 20 V C -0.513 175.587 176.094 0.009 0.000 1.029 20 V CA -0.384 61.921 62.300 0.007 0.000 0.870 20 V CB 1.313 33.139 31.823 0.005 0.000 0.984 20 V HN 0.079 nan 8.190 nan 0.000 0.451 21 V N 3.992 123.915 119.914 0.016 0.000 2.588 21 V HA 0.490 4.610 4.120 0.000 0.000 0.304 21 V C -0.803 175.305 176.094 0.024 0.000 1.042 21 V CA -0.780 61.528 62.300 0.014 0.000 0.877 21 V CB 2.264 34.094 31.823 0.013 0.000 0.996 21 V HN 0.812 nan 8.190 nan 0.000 0.425 22 D N 2.716 123.126 120.400 0.016 0.000 2.175 22 D HA 0.647 5.287 4.640 0.000 0.000 0.248 22 D C -0.648 175.658 176.300 0.011 0.000 1.047 22 D CA -0.009 54.006 54.000 0.025 0.000 0.883 22 D CB 2.101 42.911 40.800 0.017 0.000 1.180 22 D HN 0.277 nan 8.370 nan 0.000 0.438 23 V N 1.903 121.839 119.914 0.037 0.000 2.577 23 V HA 0.330 4.450 4.120 0.000 0.000 0.303 23 V C -0.335 175.747 176.094 -0.020 0.000 1.042 23 V CA -0.986 61.291 62.300 -0.039 0.000 0.872 23 V CB 1.752 33.552 31.823 -0.038 0.000 0.998 23 V HN 0.426 nan 8.190 nan 0.000 0.423 24 Q N 3.443 123.153 119.800 -0.150 0.000 2.271 24 Q HA 0.661 5.001 4.340 0.000 0.000 0.258 24 Q C -1.949 173.915 176.000 -0.226 0.000 0.936 24 Q CA -0.409 55.354 55.803 -0.066 0.000 0.909 24 Q CB 1.339 30.046 28.738 -0.052 0.000 1.253 24 Q HN 0.609 nan 8.270 nan 0.000 0.440 25 F N 2.400 122.321 119.950 -0.048 0.000 2.495 25 F HA 0.281 4.808 4.527 -0.001 0.000 0.327 25 F C 0.564 176.340 175.800 -0.040 0.000 1.103 25 F CA -0.798 57.178 58.000 -0.042 0.000 0.949 25 F CB 1.798 40.769 39.000 -0.048 0.000 1.142 25 F HN 0.634 nan 8.300 nan 0.000 0.457 26 D N 1.137 121.610 120.400 0.121 0.000 2.149 26 D HA -0.003 4.637 4.640 0.000 0.000 0.206 26 D C 0.132 176.471 176.300 0.064 0.000 0.967 26 D CA 1.340 55.379 54.000 0.065 0.000 0.848 26 D CB 0.246 41.063 40.800 0.028 0.000 0.998 26 D HN 0.553 nan 8.370 nan 0.000 0.474 27 E N -1.297 118.951 120.200 0.078 0.000 2.299 27 E HA 0.569 4.919 4.350 0.000 0.000 0.265 27 E C -0.262 176.376 176.600 0.063 0.000 0.911 27 E CA -0.713 55.719 56.400 0.052 0.000 0.789 27 E CB 2.085 31.806 29.700 0.035 0.000 1.246 27 E HN 0.076 nan 8.360 nan 0.000 0.427 28 G N 1.429 110.233 108.800 0.006 0.000 2.587 28 G HA2 -0.213 3.747 3.960 0.000 0.000 0.245 28 G HA3 -0.213 3.747 3.960 0.000 0.000 0.245 28 G C -1.017 173.781 174.900 -0.170 0.000 0.959 28 G CA -0.455 44.618 45.100 -0.045 0.000 1.268 28 G HN 0.229 nan 8.290 nan 0.000 0.448 29 L N 5.222 126.319 121.223 -0.210 0.000 2.265 29 L HA 0.561 4.901 4.340 0.000 0.000 0.288 29 L C -1.225 175.433 176.870 -0.353 0.000 1.058 29 L CA -2.099 52.503 54.840 -0.395 0.000 0.809 29 L CB 0.856 42.723 42.059 -0.320 0.000 1.179 29 L HN 0.360 nan 8.230 nan 0.000 0.429 30 P HA 0.205 nan 4.420 nan 0.000 0.271 30 P C -2.666 174.623 177.300 -0.018 0.000 1.220 30 P CA -1.268 61.661 63.100 -0.285 0.000 0.768 30 P CB 0.054 31.523 31.700 -0.384 0.000 0.848 31 P HA 0.045 nan 4.420 nan 0.000 0.269 31 P C 0.502 177.765 177.300 -0.061 0.000 1.211 31 P CA 0.159 63.243 63.100 -0.028 0.000 0.781 31 P CB 0.492 32.155 31.700 -0.062 0.000 0.877 32 I N 2.657 123.118 120.570 -0.181 0.000 2.752 32 I HA -0.139 4.031 4.170 0.000 0.000 0.289 32 I C 1.575 177.609 176.117 -0.139 0.000 1.197 32 I CA 0.870 62.075 61.300 -0.159 0.000 1.432 32 I CB -0.371 37.501 38.000 -0.214 0.000 1.359 32 I HN 0.429 nan 8.210 nan 0.000 0.571 33 L N 2.120 123.262 121.223 -0.134 0.000 2.804 33 L HA -0.234 4.106 4.340 0.000 0.000 0.451 33 L C 0.367 177.193 176.870 -0.075 0.000 0.725 33 L CA 0.030 54.754 54.840 -0.193 0.000 2.793 33 L CB -1.384 40.483 42.059 -0.320 0.000 0.947 33 L HN 0.642 nan 8.230 nan 0.000 0.660 34 N N 1.625 120.299 118.700 -0.044 0.000 2.356 34 N HA 0.362 5.102 4.740 0.000 0.000 0.252 34 N C 0.268 175.789 175.510 0.018 0.000 1.241 34 N CA 1.128 54.172 53.050 -0.011 0.000 0.861 34 N CB 0.721 39.192 38.487 -0.028 0.000 1.075 34 N HN 0.345 nan 8.380 nan 0.000 0.461 35 A N 3.072 125.912 122.820 0.033 0.000 2.328 35 A HA 0.536 4.856 4.320 0.000 0.000 0.284 35 A C -0.350 177.262 177.584 0.046 0.000 1.160 35 A CA -0.504 51.561 52.037 0.046 0.000 0.818 35 A CB 0.161 19.189 19.000 0.045 0.000 1.087 35 A HN 0.637 nan 8.150 nan 0.000 0.504 36 L N 2.240 123.501 121.223 0.063 0.000 2.334 36 L HA 0.465 4.806 4.340 0.000 0.000 0.276 36 L C -0.333 176.573 176.870 0.061 0.000 1.014 36 L CA -0.761 54.130 54.840 0.085 0.000 0.815 36 L CB 1.794 43.938 42.059 0.142 0.000 1.268 36 L HN 0.614 nan 8.230 nan 0.000 0.428 37 E N 2.999 123.231 120.200 0.053 0.000 2.109 37 E HA 0.294 4.644 4.350 0.000 0.000 0.278 37 E C -0.746 175.870 176.600 0.025 0.000 0.954 37 E CA -0.569 55.850 56.400 0.031 0.000 0.779 37 E CB 2.408 32.119 29.700 0.019 0.000 1.093 37 E HN 0.188 nan 8.360 nan 0.000 0.401 38 V N 4.153 124.077 119.914 0.016 0.000 2.488 38 V HA 0.018 4.138 4.120 0.000 0.000 0.277 38 V C 0.593 176.685 176.094 -0.002 0.000 1.046 38 V CA -0.487 61.814 62.300 0.003 0.000 0.986 38 V CB 0.941 32.765 31.823 0.001 0.000 0.989 38 V HN 0.478 nan 8.190 nan 0.000 0.475 39 Q N 2.423 122.216 119.800 -0.010 0.000 2.260 39 Q HA 0.461 4.801 4.340 0.000 0.000 0.238 39 Q C 1.165 177.157 176.000 -0.013 0.000 0.948 39 Q CA 0.483 56.279 55.803 -0.011 0.000 0.895 39 Q CB 1.197 29.926 28.738 -0.015 0.000 1.218 39 Q HN 1.143 nan 8.270 nan 0.000 0.470 40 G N 1.380 110.173 108.800 -0.010 0.000 2.137 40 G HA2 -0.203 3.758 3.960 0.000 0.000 0.237 40 G HA3 -0.203 3.758 3.960 0.000 0.000 0.237 40 G C -0.112 174.783 174.900 -0.008 0.000 1.002 40 G CA -0.134 44.960 45.100 -0.010 0.000 0.702 40 G HN 0.315 nan 8.290 nan 0.000 0.515 41 R N -0.537 119.959 120.500 -0.006 0.000 2.778 41 R HA 0.540 4.880 4.340 0.000 0.000 0.277 41 R C 0.853 177.152 176.300 -0.002 0.000 0.977 41 R CA -0.746 55.352 56.100 -0.004 0.000 0.950 41 R CB 1.210 31.509 30.300 -0.002 0.000 1.165 41 R HN 0.291 nan 8.270 nan 0.000 0.474 42 E N 0.257 120.456 120.200 -0.002 0.000 2.170 42 E HA -0.043 4.307 4.350 0.000 0.000 0.191 42 E C 0.113 176.713 176.600 0.000 0.000 0.981 42 E CA 1.012 57.411 56.400 -0.001 0.000 0.830 42 E CB 0.453 30.152 29.700 -0.001 0.000 0.775 42 E HN 0.666 nan 8.360 nan 0.000 0.470 43 T N -1.863 112.692 114.554 0.001 0.000 2.908 43 T HA 0.385 4.735 4.350 0.000 0.000 0.290 43 T C -0.282 174.420 174.700 0.003 0.000 1.034 43 T CA -1.026 61.075 62.100 0.002 0.000 1.010 43 T CB 1.977 70.846 68.868 0.003 0.000 1.068 43 T HN -0.084 nan 8.240 nan 0.000 0.481 44 R N 1.388 121.891 120.500 0.005 0.000 2.404 44 R HA 0.299 4.639 4.340 0.000 0.000 0.315 44 R C -0.877 175.428 176.300 0.008 0.000 1.032 44 R CA -0.582 55.522 56.100 0.006 0.000 0.992 44 R CB -0.197 30.107 30.300 0.006 0.000 0.959 44 R HN 0.583 nan 8.270 nan 0.000 0.428 45 L N 6.761 127.990 121.223 0.009 0.000 2.272 45 L HA 0.274 4.614 4.340 0.000 0.000 0.284 45 L C -1.097 175.784 176.870 0.017 0.000 1.045 45 L CA -0.422 54.425 54.840 0.012 0.000 0.842 45 L CB 1.435 43.499 42.059 0.008 0.000 1.224 45 L HN 0.330 nan 8.230 nan 0.000 0.430 46 V N 6.113 126.040 119.914 0.022 0.000 2.498 46 V HA 0.322 4.442 4.120 0.000 0.000 0.279 46 V C 0.353 176.468 176.094 0.036 0.000 1.048 46 V CA -0.458 61.860 62.300 0.030 0.000 0.967 46 V CB 1.113 32.955 31.823 0.032 0.000 0.988 46 V HN 0.553 nan 8.190 nan 0.000 0.473 47 L N 4.131 125.381 121.223 0.046 0.000 2.317 47 L HA 0.605 4.945 4.340 0.000 0.000 0.281 47 L C 0.088 176.995 176.870 0.061 0.000 1.024 47 L CA -0.364 54.507 54.840 0.053 0.000 0.810 47 L CB 1.728 43.823 42.059 0.060 0.000 1.240 47 L HN 0.667 nan 8.230 nan 0.000 0.427 48 E N 2.129 122.364 120.200 0.060 0.000 2.156 48 E HA 0.345 4.695 4.350 0.000 0.000 0.279 48 E C -1.116 175.510 176.600 0.044 0.000 0.965 48 E CA -0.791 55.644 56.400 0.058 0.000 0.789 48 E CB 1.922 31.671 29.700 0.080 0.000 1.098 48 E HN 0.340 nan 8.360 nan 0.000 0.397 49 V N 4.359 124.293 119.914 0.033 0.000 2.529 49 V HA 0.093 4.213 4.120 0.000 0.000 0.292 49 V C 0.905 177.000 176.094 0.002 0.000 1.028 49 V CA 0.806 63.129 62.300 0.037 0.000 1.074 49 V CB 0.682 32.529 31.823 0.041 0.000 0.958 49 V HN 0.892 nan 8.190 nan 0.000 0.481 50 A N 4.389 127.221 122.820 0.020 0.000 1.944 50 A HA 0.317 4.637 4.320 0.000 0.000 0.207 50 A C 0.738 178.318 177.584 -0.006 0.000 1.265 50 A CA 0.317 52.351 52.037 -0.004 0.000 0.712 50 A CB 0.310 19.315 19.000 0.009 0.000 0.915 50 A HN 0.771 nan 8.150 nan 0.000 0.470 51 Q N -1.446 118.378 119.800 0.039 0.000 2.511 51 Q HA 0.403 4.743 4.340 0.000 0.000 0.289 51 Q C -1.602 174.506 176.000 0.180 0.000 1.021 51 Q CA -0.582 55.252 55.803 0.051 0.000 0.785 51 Q CB 1.803 30.567 28.738 0.043 0.000 1.472 51 Q HN 0.579 nan 8.270 nan 0.000 0.411 52 H N 1.774 120.837 119.070 -0.011 0.000 2.724 52 H HA 0.228 4.783 4.556 -0.000 0.000 0.278 52 H C 0.591 175.921 175.328 0.003 0.000 1.159 52 H CA -0.250 55.794 56.048 -0.007 0.000 1.254 52 H CB 0.643 30.394 29.762 -0.018 0.000 1.412 52 H HN 0.445 nan 8.280 nan 0.000 0.488 53 L N 2.672 123.952 121.223 0.095 0.000 2.450 53 L HA -0.007 4.334 4.340 0.000 0.000 0.224 53 L C 1.359 178.250 176.870 0.036 0.000 1.149 53 L CA 0.724 55.596 54.840 0.053 0.000 0.816 53 L CB -0.448 41.633 42.059 0.037 0.000 0.932 53 L HN 0.843 nan 8.230 nan 0.000 0.449 54 G N 0.174 108.990 108.800 0.025 0.000 2.757 54 G HA2 -0.222 3.738 3.960 0.000 0.000 0.638 54 G HA3 -0.222 3.738 3.960 0.000 0.000 0.638 54 G C 0.003 174.899 174.900 -0.007 0.000 1.344 54 G CA -0.353 44.751 45.100 0.007 0.000 0.855 54 G HN 0.384 nan 8.290 nan 0.000 0.537 55 E N -1.071 119.125 120.200 -0.006 0.000 2.269 55 E HA -0.188 4.162 4.350 0.000 0.000 0.223 55 E C 0.997 177.594 176.600 -0.006 0.000 1.244 55 E CA 0.938 57.336 56.400 -0.004 0.000 0.713 55 E CB -1.582 28.118 29.700 0.001 0.000 1.178 55 E HN 1.964 nan 8.360 nan 0.000 0.370 56 S N -1.711 113.975 115.700 -0.023 0.000 3.473 56 S HA -0.223 4.247 4.470 0.000 0.000 0.339 56 S C 0.160 174.778 174.600 0.030 0.000 1.148 56 S CA 1.554 59.746 58.200 -0.014 0.000 0.969 56 S CB -0.862 62.351 63.200 0.020 0.000 0.936 56 S HN 0.482 nan 8.310 nan 0.000 0.530 57 T N 1.318 115.872 114.554 0.001 0.000 2.829 57 T HA 0.629 4.979 4.350 0.000 0.000 0.280 57 T C 0.122 174.834 174.700 0.019 0.000 0.999 57 T CA -0.355 61.771 62.100 0.042 0.000 0.983 57 T CB 1.859 70.742 68.868 0.025 0.000 0.968 57 T HN 0.469 nan 8.240 nan 0.000 0.446 58 V N 1.369 121.338 119.914 0.091 0.000 2.628 58 V HA 0.734 4.854 4.120 0.000 0.000 0.306 58 V C -0.283 175.873 176.094 0.104 0.000 1.045 58 V CA -1.372 60.984 62.300 0.094 0.000 0.905 58 V CB 1.679 33.569 31.823 0.112 0.000 0.997 58 V HN 0.819 nan 8.190 nan 0.000 0.436 59 R N 2.484 123.039 120.500 0.091 0.000 2.254 59 R HA 0.680 5.020 4.340 0.000 0.000 0.318 59 R C 0.078 176.419 176.300 0.068 0.000 1.031 59 R CA 0.377 56.518 56.100 0.067 0.000 0.905 59 R CB 1.198 31.527 30.300 0.048 0.000 1.050 59 R HN 1.167 nan 8.270 nan 0.000 0.456 60 T N 1.124 115.714 114.554 0.060 0.000 2.930 60 T HA 0.592 4.942 4.350 0.000 0.000 0.290 60 T C -0.164 174.559 174.700 0.038 0.000 1.052 60 T CA -0.853 61.280 62.100 0.055 0.000 1.017 60 T CB 1.218 70.130 68.868 0.073 0.000 1.137 60 T HN 0.394 nan 8.240 nan 0.000 0.511 61 I N 1.423 122.014 120.570 0.035 0.000 2.433 61 I HA 0.618 4.789 4.170 0.000 0.000 0.292 61 I C 0.412 176.547 176.117 0.030 0.000 1.001 61 I CA -1.141 60.175 61.300 0.027 0.000 1.119 61 I CB 1.822 39.835 38.000 0.022 0.000 1.289 61 I HN 0.976 nan 8.210 nan 0.000 0.438 62 A N 6.674 129.507 122.820 0.022 0.000 2.354 62 A HA 0.537 4.857 4.320 0.000 0.000 0.269 62 A C 0.630 178.227 177.584 0.021 0.000 1.109 62 A CA -0.376 51.674 52.037 0.022 0.000 0.800 62 A CB 0.533 19.542 19.000 0.015 0.000 1.045 62 A HN 0.752 nan 8.150 nan 0.000 0.489 63 M N 0.905 120.519 119.600 0.024 0.000 2.431 63 M HA 0.204 4.684 4.480 0.000 0.000 0.237 63 M C -0.219 176.092 176.300 0.018 0.000 1.130 63 M CA 0.541 55.856 55.300 0.024 0.000 1.002 63 M CB -1.033 31.585 32.600 0.029 0.000 1.524 63 M HN 0.838 nan 8.290 nan 0.000 0.482 64 D N -1.315 119.093 120.400 0.014 0.000 2.738 64 D HA 0.400 5.040 4.640 0.000 0.000 0.308 64 D C -0.567 175.738 176.300 0.007 0.000 1.311 64 D CA -0.199 53.807 54.000 0.011 0.000 0.799 64 D CB 0.791 41.598 40.800 0.011 0.000 1.332 64 D HN 0.108 nan 8.370 nan 0.000 0.441 65 G N -0.851 107.952 108.800 0.005 0.000 2.484 65 G HA2 0.372 4.332 3.960 0.000 0.000 0.235 65 G HA3 0.372 4.332 3.960 0.000 0.000 0.235 65 G C 0.735 175.637 174.900 0.002 0.000 1.282 65 G CA 0.673 45.775 45.100 0.003 0.000 0.857 65 G HN 0.438 nan 8.290 nan 0.000 0.571 66 T N -1.443 113.112 114.554 0.000 0.000 3.129 66 T HA 0.187 4.538 4.350 0.000 0.000 0.267 66 T C 0.582 175.280 174.700 -0.003 0.000 1.018 66 T CA -0.197 61.903 62.100 -0.001 0.000 0.903 66 T CB 0.155 69.023 68.868 -0.000 0.000 1.067 66 T HN 0.638 nan 8.240 nan 0.000 0.549 67 E N 1.717 121.916 120.200 -0.002 0.000 2.414 67 E HA 0.366 4.716 4.350 0.000 0.000 0.263 67 E C 1.122 177.720 176.600 -0.004 0.000 1.000 67 E CA 0.628 57.026 56.400 -0.003 0.000 0.914 67 E CB 0.399 30.097 29.700 -0.002 0.000 0.948 67 E HN 0.454 nan 8.360 nan 0.000 0.444 68 G N 2.942 111.739 108.800 -0.005 0.000 2.279 68 G HA2 -0.253 3.707 3.960 0.000 0.000 0.223 68 G HA3 -0.253 3.707 3.960 0.000 0.000 0.223 68 G C 0.323 175.218 174.900 -0.009 0.000 1.015 68 G CA -0.009 45.087 45.100 -0.006 0.000 0.621 68 G HN 0.492 nan 8.290 nan 0.000 0.506 69 L N 1.686 122.904 121.223 -0.009 0.000 2.490 69 L HA 0.423 4.763 4.340 0.000 0.000 0.274 69 L C 0.640 177.501 176.870 -0.014 0.000 1.201 69 L CA -0.100 54.732 54.840 -0.012 0.000 0.869 69 L CB 0.988 43.040 42.059 -0.011 0.000 1.123 69 L HN 0.077 nan 8.230 nan 0.000 0.484 70 V N 3.465 123.368 119.914 -0.018 0.000 2.715 70 V HA 0.407 4.527 4.120 0.000 0.000 0.310 70 V C 0.237 176.316 176.094 -0.026 0.000 1.054 70 V CA -1.068 61.220 62.300 -0.020 0.000 0.928 70 V CB 1.810 33.621 31.823 -0.020 0.000 1.007 70 V HN 0.674 nan 8.190 nan 0.000 0.437 71 R N 1.648 122.133 120.500 -0.025 0.000 2.623 71 R HA 0.409 4.749 4.340 0.000 0.000 0.271 71 R C 1.379 177.657 176.300 -0.036 0.000 1.043 71 R CA 1.117 57.198 56.100 -0.031 0.000 1.083 71 R CB 0.081 30.365 30.300 -0.026 0.000 0.974 71 R HN 1.215 nan 8.270 nan 0.000 0.436 72 G N 1.257 110.028 108.800 -0.048 0.000 2.299 72 G HA2 -0.359 3.601 3.960 0.000 0.000 0.237 72 G HA3 -0.359 3.601 3.960 0.000 0.000 0.237 72 G C 0.255 175.119 174.900 -0.060 0.000 1.027 72 G CA 0.224 45.292 45.100 -0.053 0.000 0.619 72 G HN 0.609 nan 8.290 nan 0.000 0.513 73 Q N 1.558 121.326 119.800 -0.053 0.000 2.326 73 Q HA 0.324 4.664 4.340 0.000 0.000 0.314 73 Q C 0.289 176.245 176.000 -0.073 0.000 1.091 73 Q CA 0.505 56.277 55.803 -0.052 0.000 0.974 73 Q CB 0.389 29.103 28.738 -0.040 0.000 1.220 73 Q HN 0.333 nan 8.270 nan 0.000 0.398 74 K N 2.251 122.611 120.400 -0.066 0.000 2.144 74 K HA 0.402 4.722 4.320 0.000 0.000 0.270 74 K C -1.034 175.520 176.600 -0.078 0.000 1.005 74 K CA -0.446 55.792 56.287 -0.082 0.000 0.932 74 K CB 1.492 33.957 32.500 -0.059 0.000 1.021 74 K HN 0.424 nan 8.250 nan 0.000 0.462 75 V N 3.429 123.277 119.914 -0.111 0.000 2.760 75 V HA 0.426 4.546 4.120 0.000 0.000 0.309 75 V C -0.353 175.739 176.094 -0.003 0.000 1.077 75 V CA -1.006 61.257 62.300 -0.061 0.000 0.910 75 V CB 1.921 33.700 31.823 -0.073 0.000 1.008 75 V HN 0.559 nan 8.190 nan 0.000 0.424 76 L N 2.595 123.853 121.223 0.058 0.000 2.317 76 L HA 0.546 4.886 4.340 0.000 0.000 0.281 76 L C -0.233 176.725 176.870 0.146 0.000 1.024 76 L CA -0.553 54.348 54.840 0.102 0.000 0.810 76 L CB 1.703 43.793 42.059 0.052 0.000 1.240 76 L HN 0.616 nan 8.230 nan 0.000 0.427 77 D N 0.914 121.423 120.400 0.182 0.000 2.383 77 D HA 0.001 4.641 4.640 0.000 0.000 0.252 77 D C 1.072 177.400 176.300 0.046 0.000 1.166 77 D CA 0.072 54.131 54.000 0.099 0.000 0.879 77 D CB 1.422 42.243 40.800 0.034 0.000 1.164 77 D HN 0.547 nan 8.370 nan 0.000 0.462 78 S N 2.557 118.274 115.700 0.027 0.000 2.522 78 S HA 0.141 4.611 4.470 0.000 0.000 0.227 78 S C 1.707 176.302 174.600 -0.008 0.000 0.986 78 S CA 0.637 58.840 58.200 0.004 0.000 0.929 78 S CB -0.061 63.137 63.200 -0.003 0.000 0.769 78 S HN 0.882 nan 8.310 nan 0.000 0.529 79 G N 0.560 109.355 108.800 -0.009 0.000 2.253 79 G HA2 -0.054 3.906 3.960 0.000 0.000 0.251 79 G HA3 -0.054 3.906 3.960 0.000 0.000 0.251 79 G C 0.206 175.096 174.900 -0.017 0.000 0.998 79 G CA -0.053 45.036 45.100 -0.018 0.000 0.621 79 G HN 1.473 nan 8.290 nan 0.000 0.524 80 A N -0.138 122.675 122.820 -0.011 0.000 2.486 80 A HA 0.959 5.279 4.320 0.000 0.000 0.289 80 A C -2.827 174.765 177.584 0.014 0.000 1.176 80 A CA -1.066 50.970 52.037 -0.002 0.000 0.757 80 A CB 1.350 20.349 19.000 -0.003 0.000 1.337 80 A HN 0.098 nan 8.150 nan 0.000 0.423 81 P HA 0.289 nan 4.420 nan 0.000 0.274 81 P C -0.411 176.934 177.300 0.076 0.000 1.260 81 P CA -0.287 62.863 63.100 0.082 0.000 0.793 81 P CB 0.169 31.965 31.700 0.160 0.000 1.048 82 I N 0.748 121.376 120.570 0.097 0.000 2.943 82 I HA -0.142 4.029 4.170 0.000 0.000 0.296 82 I C 1.211 177.356 176.117 0.046 0.000 1.220 82 I CA 1.095 62.429 61.300 0.058 0.000 1.409 82 I CB -0.320 37.711 38.000 0.051 0.000 1.374 82 I HN 0.123 nan 8.210 nan 0.000 0.545 83 R N 7.212 127.730 120.500 0.031 0.000 2.532 83 R HA 0.763 5.103 4.340 0.000 0.000 0.295 83 R C -0.613 175.758 176.300 0.118 0.000 0.968 83 R CA -0.827 55.309 56.100 0.060 0.000 0.916 83 R CB 1.869 32.178 30.300 0.014 0.000 1.124 83 R HN 0.601 nan 8.270 nan 0.000 0.463 84 I N -1.193 119.494 120.570 0.196 0.000 2.828 84 I HA 0.602 4.772 4.170 0.000 0.000 0.302 84 I C -2.707 173.546 176.117 0.227 0.000 1.101 84 I CA -3.318 58.106 61.300 0.207 0.000 1.031 84 I CB 2.331 40.371 38.000 0.067 0.000 1.231 84 I HN 0.312 nan 8.210 nan 0.000 0.427 85 P HA 0.185 nan 4.420 nan 0.000 0.267 85 P C -0.883 176.215 177.300 -0.335 0.000 1.200 85 P CA -0.072 62.800 63.100 -0.381 0.000 0.772 85 P CB 0.685 32.227 31.700 -0.262 0.000 0.855 86 V N -0.804 118.796 119.914 -0.524 0.000 3.049 86 V HA 0.992 5.112 4.120 0.000 0.000 0.309 86 V C 0.033 175.528 176.094 -0.997 0.000 1.148 86 V CA -0.170 61.749 62.300 -0.635 0.000 0.990 86 V CB 1.434 32.959 31.823 -0.496 0.000 1.039 86 V HN 0.973 nan 8.190 nan 0.000 0.430 87 G N 2.779 110.758 108.800 -1.368 0.000 2.362 87 G HA2 0.094 4.054 3.960 0.000 0.000 0.517 87 G HA3 0.094 4.054 3.960 0.000 0.000 0.517 87 G C -2.676 171.928 174.900 -0.493 0.000 1.256 87 G CA 0.024 44.339 45.100 -1.309 0.000 1.027 87 G HN 0.666 nan 8.290 nan 0.000 0.491 88 P HA 0.031 nan 4.420 nan 0.000 0.218 88 P C 1.377 178.642 177.300 -0.060 0.000 1.149 88 P CA 1.809 64.897 63.100 -0.020 0.000 0.817 88 P CB 0.031 31.729 31.700 -0.003 0.000 0.785 89 E N -0.645 119.490 120.200 -0.107 0.000 2.476 89 E HA -0.015 4.336 4.350 0.000 0.000 0.191 89 E C 1.000 177.559 176.600 -0.069 0.000 1.064 89 E CA 0.884 57.235 56.400 -0.081 0.000 0.866 89 E CB -1.055 28.596 29.700 -0.081 0.000 0.952 89 E HN 0.324 nan 8.360 nan 0.000 0.492 90 T N -0.940 113.578 114.554 -0.060 0.000 3.043 90 T HA 0.062 4.412 4.350 0.000 0.000 0.263 90 T C 1.165 175.884 174.700 0.032 0.000 1.094 90 T CA -0.151 61.941 62.100 -0.014 0.000 1.127 90 T CB -0.406 68.458 68.868 -0.007 0.000 0.905 90 T HN 0.061 nan 8.240 nan 0.000 0.490 91 L N 2.200 123.432 121.223 0.014 0.000 2.534 91 L HA 0.412 4.753 4.340 0.000 0.000 0.271 91 L C 1.702 178.573 176.870 0.003 0.000 1.178 91 L CA 0.912 55.731 54.840 -0.036 0.000 0.907 91 L CB -0.063 41.903 42.059 -0.156 0.000 1.164 91 L HN 0.572 nan 8.230 nan 0.000 0.482 92 G N 1.897 110.723 108.800 0.042 0.000 2.217 92 G HA2 -0.206 3.755 3.960 0.000 0.000 0.246 92 G HA3 -0.206 3.755 3.960 0.000 0.000 0.246 92 G C 0.364 175.342 174.900 0.129 0.000 0.990 92 G CA -0.482 44.668 45.100 0.083 0.000 0.627 92 G HN 0.447 nan 8.290 nan 0.000 0.522 93 R N 0.107 120.657 120.500 0.083 0.000 2.536 93 R HA 0.745 5.085 4.340 0.000 0.000 0.279 93 R C 0.281 176.605 176.300 0.040 0.000 1.001 93 R CA -0.922 55.213 56.100 0.057 0.000 1.027 93 R CB 0.722 31.036 30.300 0.024 0.000 1.096 93 R HN 0.356 nan 8.270 nan 0.000 0.502 94 I N 3.268 123.819 120.570 -0.032 0.000 2.378 94 I HA 0.403 4.573 4.170 0.000 0.000 0.291 94 I C 0.622 176.735 176.117 -0.007 0.000 0.992 94 I CA -0.587 60.694 61.300 -0.031 0.000 1.154 94 I CB 1.247 39.135 38.000 -0.186 0.000 1.315 94 I HN 0.361 nan 8.210 nan 0.000 0.448 95 M N 3.983 123.605 119.600 0.036 0.000 2.664 95 M HA 0.611 5.091 4.480 0.000 0.000 0.314 95 M C -0.801 175.528 176.300 0.048 0.000 1.200 95 M CA -0.778 54.540 55.300 0.030 0.000 0.916 95 M CB 1.907 34.522 32.600 0.024 0.000 1.717 95 M HN 0.531 nan 8.290 nan 0.000 0.470 96 N N 0.889 119.611 118.700 0.037 0.000 2.495 96 N HA 0.167 4.907 4.740 0.000 0.000 0.294 96 N C 0.614 176.144 175.510 0.033 0.000 1.276 96 N CA -0.680 52.395 53.050 0.043 0.000 0.973 96 N CB 0.165 38.672 38.487 0.034 0.000 1.143 96 N HN 0.640 nan 8.380 nan 0.000 0.589 97 V N -0.414 119.517 119.914 0.029 0.000 2.380 97 V HA -0.163 3.957 4.120 0.000 0.000 0.251 97 V C 1.559 177.662 176.094 0.015 0.000 1.063 97 V CA 2.093 64.403 62.300 0.017 0.000 1.055 97 V CB -0.814 31.021 31.823 0.020 0.000 0.657 97 V HN 0.650 nan 8.190 nan 0.000 0.455 98 I N -2.285 118.298 120.570 0.023 0.000 3.858 98 I HA 0.571 4.741 4.170 0.000 0.000 0.325 98 I C 1.323 177.463 176.117 0.038 0.000 1.403 98 I CA 0.512 61.828 61.300 0.027 0.000 1.169 98 I CB -0.266 37.749 38.000 0.025 0.000 1.077 98 I HN 0.288 nan 8.210 nan 0.000 0.403 99 G N 0.862 109.684 108.800 0.037 0.000 2.184 99 G HA2 -0.288 3.672 3.960 0.000 0.000 0.264 99 G HA3 -0.288 3.672 3.960 0.000 0.000 0.264 99 G C 0.070 175.000 174.900 0.051 0.000 0.975 99 G CA 0.221 45.352 45.100 0.050 0.000 0.642 99 G HN 0.644 nan 8.290 nan 0.000 0.536 100 E N 1.946 122.169 120.200 0.039 0.000 2.398 100 E HA 0.295 4.645 4.350 0.000 0.000 0.263 100 E C -1.969 174.644 176.600 0.021 0.000 1.046 100 E CA -1.173 55.246 56.400 0.032 0.000 0.908 100 E CB 0.807 30.521 29.700 0.022 0.000 0.963 100 E HN 0.255 nan 8.360 nan 0.000 0.431 101 P HA 0.018 nan 4.420 nan 0.000 0.276 101 P C -0.014 177.280 177.300 -0.010 0.000 1.230 101 P CA 0.415 63.517 63.100 0.003 0.000 0.776 101 P CB 0.347 32.050 31.700 0.006 0.000 0.888 102 I N -0.812 119.740 120.570 -0.031 0.000 3.817 102 I HA 0.271 4.441 4.170 0.000 0.000 0.325 102 I C 0.069 176.127 176.117 -0.098 0.000 1.550 102 I CA -0.297 60.971 61.300 -0.052 0.000 1.100 102 I CB 0.060 38.032 38.000 -0.047 0.000 1.216 102 I HN 0.007 nan 8.210 nan 0.000 0.481 103 D N 0.293 120.639 120.400 -0.090 0.000 2.395 103 D HA 0.039 4.679 4.640 0.000 0.000 0.213 103 D C 0.384 176.670 176.300 -0.024 0.000 1.110 103 D CA -0.155 53.780 54.000 -0.108 0.000 0.835 103 D CB -0.146 40.567 40.800 -0.145 0.000 0.965 103 D HN 0.470 nan 8.370 nan 0.000 0.505 104 E N -0.091 120.100 120.200 -0.014 0.000 2.476 104 E HA -0.250 4.100 4.350 0.000 0.000 0.251 104 E C 0.120 176.732 176.600 0.019 0.000 1.130 104 E CA 0.274 56.677 56.400 0.005 0.000 0.736 104 E CB -1.108 28.598 29.700 0.010 0.000 1.298 104 E HN 0.436 nan 8.360 nan 0.000 0.400 105 R N -0.218 120.294 120.500 0.020 0.000 2.543 105 R HA 0.328 4.668 4.340 0.000 0.000 0.323 105 R C 0.851 177.163 176.300 0.020 0.000 1.002 105 R CA 0.234 56.351 56.100 0.028 0.000 1.106 105 R CB 1.342 31.668 30.300 0.043 0.000 1.280 105 R HN 0.302 nan 8.270 nan 0.000 0.549 106 G N 1.908 110.717 108.800 0.015 0.000 2.526 106 G HA2 -0.192 3.768 3.960 0.000 0.000 0.250 106 G HA3 -0.192 3.768 3.960 0.000 0.000 0.250 106 G C -2.591 172.319 174.900 0.015 0.000 1.289 106 G CA -1.314 43.795 45.100 0.015 0.000 0.947 106 G HN -0.013 nan 8.290 nan 0.000 0.517 107 P HA 0.386 nan 4.420 nan 0.000 0.266 107 P C -0.016 177.294 177.300 0.017 0.000 1.193 107 P CA 0.110 63.225 63.100 0.024 0.000 0.770 107 P CB 0.294 32.011 31.700 0.027 0.000 0.836 108 I N 3.258 123.840 120.570 0.020 0.000 2.307 108 I HA 0.172 4.342 4.170 0.000 0.000 0.289 108 I C 0.830 176.938 176.117 -0.015 0.000 1.021 108 I CA -0.354 60.941 61.300 -0.008 0.000 1.224 108 I CB 0.582 38.569 38.000 -0.022 0.000 1.376 108 I HN 0.189 nan 8.210 nan 0.000 0.470 109 K N 4.977 125.357 120.400 -0.033 0.000 2.385 109 K HA 0.356 4.676 4.320 0.000 0.000 0.229 109 K C -0.352 176.190 176.600 -0.098 0.000 1.089 109 K CA -0.548 55.720 56.287 -0.031 0.000 1.060 109 K CB -0.007 32.493 32.500 -0.001 0.000 1.698 109 K HN 0.535 nan 8.250 nan 0.000 0.469 110 T N -0.718 113.707 114.554 -0.215 0.000 2.899 110 T HA 0.239 4.589 4.350 0.000 0.000 0.284 110 T C 0.932 175.478 174.700 -0.256 0.000 1.004 110 T CA -0.847 61.066 62.100 -0.312 0.000 1.043 110 T CB 1.960 70.502 68.868 -0.544 0.000 1.013 110 T HN 0.335 nan 8.240 nan 0.000 0.518 111 K N 0.282 120.566 120.400 -0.193 0.000 2.044 111 K HA 0.034 4.354 4.320 0.000 0.000 0.204 111 K C 0.770 177.313 176.600 -0.095 0.000 1.049 111 K CA 0.857 57.092 56.287 -0.087 0.000 0.945 111 K CB -0.005 32.471 32.500 -0.040 0.000 0.724 111 K HN 0.534 nan 8.250 nan 0.000 0.440 112 Q N -0.389 119.286 119.800 -0.209 0.000 2.260 112 Q HA 0.386 4.726 4.340 0.000 0.000 0.242 112 Q C -0.939 174.814 176.000 -0.411 0.000 0.932 112 Q CA -0.089 55.623 55.803 -0.153 0.000 0.891 112 Q CB 0.871 29.568 28.738 -0.068 0.000 1.222 112 Q HN -0.033 nan 8.270 nan 0.000 0.453 113 F N -0.109 119.819 119.950 -0.037 0.000 2.577 113 F HA 0.809 5.336 4.527 0.000 0.000 0.318 113 F C -0.318 175.471 175.800 -0.018 0.000 1.065 113 F CA -0.918 57.056 58.000 -0.044 0.000 0.929 113 F CB 1.892 40.874 39.000 -0.030 0.000 1.237 113 F HN 0.541 nan 8.300 nan 0.000 0.468 114 A N 0.917 123.832 122.820 0.159 0.000 2.454 114 A HA 0.888 5.208 4.320 0.000 0.000 0.302 114 A C -1.240 176.396 177.584 0.087 0.000 1.079 114 A CA -0.728 51.369 52.037 0.099 0.000 0.731 114 A CB 1.128 20.162 19.000 0.056 0.000 1.299 114 A HN 0.983 nan 8.150 nan 0.000 0.413 115 A N 0.733 123.591 122.820 0.063 0.000 2.354 115 A HA 0.505 4.825 4.320 0.000 0.000 0.269 115 A C 1.064 178.653 177.584 0.009 0.000 1.109 115 A CA 0.045 52.114 52.037 0.052 0.000 0.800 115 A CB -0.269 18.773 19.000 0.069 0.000 1.045 115 A HN 1.611 nan 8.150 nan 0.000 0.489 116 I N -0.602 119.939 120.570 -0.048 0.000 2.676 116 I HA 0.005 4.175 4.170 0.000 0.000 0.259 116 I C 0.076 176.025 176.117 -0.279 0.000 1.194 116 I CA 0.564 61.759 61.300 -0.175 0.000 1.473 116 I CB -0.328 37.528 38.000 -0.240 0.000 1.096 116 I HN 0.500 nan 8.210 nan 0.000 0.443 117 H N 2.688 121.761 119.070 0.004 0.000 2.594 117 H HA 0.744 5.300 4.556 0.000 0.000 0.304 117 H C -0.357 174.969 175.328 -0.004 0.000 1.068 117 H CA -0.203 55.845 56.048 -0.001 0.000 1.308 117 H CB 1.300 31.063 29.762 0.002 0.000 1.409 117 H HN 0.411 nan 8.280 nan 0.000 0.460 118 A N 3.424 126.294 122.820 0.082 0.000 2.479 118 A HA 0.414 4.734 4.320 0.000 0.000 0.296 118 A C -0.117 177.489 177.584 0.037 0.000 1.121 118 A CA -0.864 51.202 52.037 0.047 0.000 0.743 118 A CB 1.873 20.883 19.000 0.016 0.000 1.323 118 A HN 0.682 nan 8.150 nan 0.000 0.415 119 E N 0.227 120.441 120.200 0.024 0.000 2.349 119 E HA 0.482 4.832 4.350 0.000 0.000 0.262 119 E C 0.200 176.805 176.600 0.007 0.000 1.088 119 E CA -0.267 56.144 56.400 0.017 0.000 0.899 119 E CB 1.298 31.007 29.700 0.015 0.000 1.044 119 E HN 0.787 nan 8.360 nan 0.000 0.420 120 A N 3.072 125.896 122.820 0.007 0.000 2.371 120 A HA 0.329 4.649 4.320 0.000 0.000 0.257 120 A C -2.177 175.409 177.584 0.005 0.000 1.089 120 A CA -1.280 50.756 52.037 -0.000 0.000 0.794 120 A CB -0.221 18.781 19.000 0.003 0.000 1.029 120 A HN 0.341 nan 8.150 nan 0.000 0.488 121 P HA 0.018 nan 4.420 nan 0.000 0.264 121 P C -0.005 177.303 177.300 0.013 0.000 1.179 121 P CA 0.344 63.440 63.100 -0.007 0.000 0.763 121 P CB 0.398 32.084 31.700 -0.024 0.000 0.806 122 E N 1.341 121.552 120.200 0.019 0.000 2.369 122 E HA 0.021 4.371 4.350 0.000 0.000 0.255 122 E C 0.850 177.494 176.600 0.073 0.000 1.172 122 E CA -0.278 56.157 56.400 0.058 0.000 0.932 122 E CB 0.082 29.816 29.700 0.056 0.000 1.040 122 E HN 0.400 nan 8.360 nan 0.000 0.454 123 F N 1.585 121.534 119.950 -0.002 0.000 2.171 123 F HA -0.214 4.313 4.527 -0.000 0.000 0.300 123 F C 1.860 177.659 175.800 -0.002 0.000 1.090 123 F CA 1.625 59.624 58.000 -0.001 0.000 1.293 123 F CB -0.105 38.895 39.000 0.001 0.000 1.013 123 F HN 0.252 nan 8.300 nan 0.000 0.486 124 V N -2.179 117.742 119.914 0.011 0.000 3.078 124 V HA -0.136 3.984 4.120 0.000 0.000 0.265 124 V C 1.494 177.510 176.094 -0.131 0.000 1.122 124 V CA 1.809 64.065 62.300 -0.074 0.000 1.141 124 V CB -0.991 30.852 31.823 0.034 0.000 0.735 124 V HN 0.419 nan 8.190 nan 0.000 0.498 125 E N 0.101 120.232 120.200 -0.115 0.000 2.489 125 E HA 0.171 4.521 4.350 0.000 0.000 0.193 125 E C 0.552 177.074 176.600 -0.129 0.000 1.057 125 E CA -0.217 56.125 56.400 -0.096 0.000 0.866 125 E CB 0.032 29.698 29.700 -0.056 0.000 0.916 125 E HN 0.484 nan 8.360 nan 0.000 0.500 126 M N 0.997 120.468 119.600 -0.214 0.000 2.243 126 M HA 0.075 4.555 4.480 0.000 0.000 0.341 126 M C 0.486 176.687 176.300 -0.165 0.000 1.130 126 M CA 0.213 55.388 55.300 -0.208 0.000 1.162 126 M CB 0.941 33.349 32.600 -0.321 0.000 1.497 126 M HN -0.138 nan 8.290 nan 0.000 0.456 127 S N 1.473 117.106 115.700 -0.113 0.000 2.608 127 S HA 0.558 5.028 4.470 0.000 0.000 0.291 127 S C 0.535 175.089 174.600 -0.076 0.000 1.146 127 S CA -0.822 57.327 58.200 -0.084 0.000 1.043 127 S CB 1.037 64.202 63.200 -0.058 0.000 1.037 127 S HN 0.574 nan 8.310 nan 0.000 0.520 128 V N 0.487 120.365 119.914 -0.060 0.000 3.528 128 V HA 0.483 4.603 4.120 0.000 0.000 0.294 128 V C 0.178 176.257 176.094 -0.025 0.000 1.404 128 V CA -0.238 62.035 62.300 -0.044 0.000 1.065 128 V CB -0.808 30.990 31.823 -0.042 0.000 0.904 128 V HN 0.786 nan 8.190 nan 0.000 0.435 129 E N 1.655 121.841 120.200 -0.024 0.000 2.229 129 E HA 0.462 4.812 4.350 0.000 0.000 0.283 129 E C -0.688 175.909 176.600 -0.006 0.000 1.030 129 E CA -0.083 56.309 56.400 -0.013 0.000 0.836 129 E CB 1.090 30.782 29.700 -0.013 0.000 1.068 129 E HN 0.540 nan 8.360 nan 0.000 0.401 130 Q N 2.569 122.369 119.800 0.000 0.000 2.339 130 Q HA 0.259 4.599 4.340 0.000 0.000 0.268 130 Q C -1.072 174.937 176.000 0.014 0.000 1.027 130 Q CA -0.261 55.547 55.803 0.008 0.000 0.759 130 Q CB 1.921 30.665 28.738 0.009 0.000 1.244 130 Q HN 0.433 nan 8.270 nan 0.000 0.464 131 E N 3.204 123.417 120.200 0.021 0.000 2.246 131 E HA 0.327 4.677 4.350 0.000 0.000 0.266 131 E C -1.062 175.562 176.600 0.040 0.000 0.880 131 E CA -0.731 55.685 56.400 0.028 0.000 0.762 131 E CB 1.824 31.539 29.700 0.024 0.000 1.180 131 E HN 0.610 nan 8.360 nan 0.000 0.416 132 I N 4.513 125.111 120.570 0.048 0.000 2.710 132 I HA -0.024 4.146 4.170 0.000 0.000 0.286 132 I C -0.797 175.360 176.117 0.068 0.000 1.181 132 I CA 0.013 61.350 61.300 0.062 0.000 1.430 132 I CB 0.375 38.417 38.000 0.071 0.000 1.367 132 I HN 0.451 nan 8.210 nan 0.000 0.577 133 L N 8.874 130.148 121.223 0.085 0.000 2.295 133 L HA 0.401 4.741 4.340 0.000 0.000 0.281 133 L C -0.869 176.043 176.870 0.071 0.000 1.018 133 L CA -0.322 54.570 54.840 0.087 0.000 0.841 133 L CB 1.302 43.429 42.059 0.114 0.000 1.218 133 L HN 0.335 nan 8.230 nan 0.000 0.424 134 V N 4.746 124.691 119.914 0.052 0.000 2.470 134 V HA 0.148 4.268 4.120 0.000 0.000 0.276 134 V C 1.500 177.603 176.094 0.016 0.000 1.040 134 V CA 0.686 63.002 62.300 0.027 0.000 1.008 134 V CB 0.873 32.716 31.823 0.033 0.000 0.990 134 V HN 0.959 nan 8.190 nan 0.000 0.477 135 T N 0.759 115.296 114.554 -0.028 0.000 3.037 135 T HA 0.220 4.570 4.350 0.000 0.000 0.251 135 T C 1.512 176.195 174.700 -0.028 0.000 1.079 135 T CA 0.807 62.892 62.100 -0.026 0.000 1.067 135 T CB 0.343 69.155 68.868 -0.093 0.000 0.948 135 T HN 1.394 nan 8.240 nan 0.000 0.496 136 G N 1.655 110.442 108.800 -0.022 0.000 2.205 136 G HA2 -0.222 3.738 3.960 0.000 0.000 0.261 136 G HA3 -0.222 3.738 3.960 0.000 0.000 0.261 136 G C 0.046 174.946 174.900 0.000 0.000 0.980 136 G CA 0.183 45.278 45.100 -0.008 0.000 0.632 136 G HN 0.683 nan 8.290 nan 0.000 0.533 137 I N 1.207 121.768 120.570 -0.015 0.000 2.337 137 I HA 0.243 4.413 4.170 0.000 0.000 0.291 137 I C 1.647 177.770 176.117 0.010 0.000 1.046 137 I CA -0.570 60.754 61.300 0.040 0.000 1.324 137 I CB 1.188 39.224 38.000 0.060 0.000 1.409 137 I HN -0.002 nan 8.210 nan 0.000 0.494 138 K N 3.756 124.168 120.400 0.019 0.000 2.020 138 K HA -0.195 4.125 4.320 0.000 0.000 0.212 138 K C 1.857 178.443 176.600 -0.023 0.000 1.050 138 K CA 1.445 57.738 56.287 0.009 0.000 0.929 138 K CB -0.154 32.335 32.500 -0.017 0.000 0.714 138 K HN 0.575 nan 8.250 nan 0.000 0.443 139 V N 0.903 120.802 119.914 -0.026 0.000 2.343 139 V HA -0.224 3.896 4.120 0.000 0.000 0.247 139 V C 2.085 178.136 176.094 -0.071 0.000 1.051 139 V CA 1.620 63.880 62.300 -0.067 0.000 1.036 139 V CB -0.015 31.797 31.823 -0.019 0.000 0.654 139 V HN 0.140 nan 8.190 nan 0.000 0.451 140 V N 0.357 120.230 119.914 -0.068 0.000 2.244 140 V HA -0.201 3.919 4.120 0.000 0.000 0.244 140 V C 2.326 178.332 176.094 -0.147 0.000 1.042 140 V CA 2.428 64.636 62.300 -0.153 0.000 1.006 140 V CB -0.813 30.813 31.823 -0.330 0.000 0.641 140 V HN 0.579 nan 8.190 nan 0.000 0.446 141 D N -0.322 120.008 120.400 -0.117 0.000 2.221 141 D HA -0.134 4.506 4.640 0.000 0.000 0.204 141 D C 1.799 178.157 176.300 0.098 0.000 0.982 141 D CA 1.022 55.004 54.000 -0.031 0.000 0.857 141 D CB -0.082 40.705 40.800 -0.023 0.000 0.934 141 D HN 0.338 nan 8.370 nan 0.000 0.475 142 L N -0.117 121.128 121.223 0.037 0.000 2.062 142 L HA 0.042 4.382 4.340 0.000 0.000 0.202 142 L C 2.051 178.978 176.870 0.095 0.000 1.079 142 L CA 1.285 56.176 54.840 0.085 0.000 0.755 142 L CB -0.435 41.535 42.059 -0.148 0.000 0.913 142 L HN -0.074 nan 8.230 nan 0.000 0.445 143 L N -0.645 120.552 121.223 -0.043 0.000 2.249 143 L HA 0.244 4.584 4.340 0.000 0.000 0.207 143 L C 0.822 177.667 176.870 -0.043 0.000 1.090 143 L CA 0.645 55.444 54.840 -0.069 0.000 0.802 143 L CB -0.352 41.648 42.059 -0.099 0.000 0.947 143 L HN 0.325 nan 8.230 nan 0.000 0.453 144 A N 0.126 122.934 122.820 -0.019 0.000 3.422 144 A HA 0.426 4.746 4.320 0.000 0.000 0.271 144 A C -2.636 174.962 177.584 0.023 0.000 1.104 144 A CA -0.840 51.208 52.037 0.019 0.000 0.899 144 A CB -0.208 18.828 19.000 0.060 0.000 1.309 144 A HN -0.138 nan 8.150 nan 0.000 0.580 145 P HA 0.130 nan 4.420 nan 0.000 0.269 145 P C -0.491 176.874 177.300 0.108 0.000 1.209 145 P CA 0.457 63.540 63.100 -0.028 0.000 0.776 145 P CB 0.463 32.175 31.700 0.021 0.000 0.876 146 Y N 0.174 120.496 120.300 0.037 0.000 2.295 146 Y HA 0.491 5.041 4.550 0.000 0.000 0.331 146 Y C 1.002 176.911 175.900 0.015 0.000 1.311 146 Y CA -1.271 56.842 58.100 0.022 0.000 1.430 146 Y CB 0.921 39.389 38.460 0.013 0.000 1.339 146 Y HN 0.375 nan 8.280 nan 0.000 0.552 147 A N 1.512 124.437 122.820 0.176 0.000 2.374 147 A HA 0.394 4.714 4.320 0.000 0.000 0.305 147 A C -1.130 176.481 177.584 0.046 0.000 1.053 147 A CA -1.157 50.932 52.037 0.087 0.000 0.726 147 A CB 0.817 19.851 19.000 0.057 0.000 1.229 147 A HN 0.724 nan 8.150 nan 0.000 0.431 148 K N 1.172 121.595 120.400 0.039 0.000 2.466 148 K HA 0.277 4.597 4.320 0.000 0.000 0.278 148 K C 1.107 177.703 176.600 -0.006 0.000 1.048 148 K CA 1.229 57.525 56.287 0.015 0.000 1.088 148 K CB 0.104 32.620 32.500 0.027 0.000 0.884 148 K HN 1.706 nan 8.250 nan 0.000 0.478 149 G N 2.072 110.853 108.800 -0.033 0.000 2.143 149 G HA2 -0.242 3.718 3.960 0.000 0.000 0.249 149 G HA3 -0.242 3.718 3.960 0.000 0.000 0.249 149 G C 0.426 175.294 174.900 -0.053 0.000 0.981 149 G CA -0.059 45.015 45.100 -0.043 0.000 0.665 149 G HN 0.880 nan 8.290 nan 0.000 0.528 150 G N -0.844 107.921 108.800 -0.058 0.000 2.531 150 G HA2 0.627 4.587 3.960 0.000 0.000 0.313 150 G HA3 0.627 4.587 3.960 0.000 0.000 0.313 150 G C -0.314 174.527 174.900 -0.097 0.000 1.238 150 G CA -0.800 44.268 45.100 -0.054 0.000 0.994 150 G HN 0.325 nan 8.290 nan 0.000 0.493 151 K N 0.191 120.542 120.400 -0.081 0.000 2.367 151 K HA 0.418 4.738 4.320 0.000 0.000 0.263 151 K C -0.880 175.641 176.600 -0.132 0.000 1.000 151 K CA -0.204 56.016 56.287 -0.111 0.000 0.891 151 K CB 1.774 34.236 32.500 -0.064 0.000 1.117 151 K HN 0.249 nan 8.250 nan 0.000 0.443 152 I N 1.339 121.765 120.570 -0.240 0.000 2.412 152 I HA 0.386 4.557 4.170 0.000 0.000 0.296 152 I C 0.449 176.413 176.117 -0.254 0.000 0.987 152 I CA -0.483 60.612 61.300 -0.342 0.000 1.180 152 I CB 2.018 39.582 38.000 -0.726 0.000 1.340 152 I HN 0.599 nan 8.210 nan 0.000 0.455 153 G N 6.446 115.146 108.800 -0.166 0.000 2.666 153 G HA2 0.668 4.628 3.960 0.000 0.000 0.303 153 G HA3 0.668 4.628 3.960 0.000 0.000 0.303 153 G C -1.067 173.757 174.900 -0.127 0.000 1.412 153 G CA -0.485 44.493 45.100 -0.203 0.000 0.979 153 G HN 0.436 nan 8.290 nan 0.000 0.507 154 L N 2.682 123.786 121.223 -0.197 0.000 2.313 154 L HA 0.409 4.749 4.340 0.000 0.000 0.273 154 L C -0.692 176.112 176.870 -0.110 0.000 1.028 154 L CA -0.598 54.219 54.840 -0.038 0.000 0.871 154 L CB 0.580 42.654 42.059 0.025 0.000 1.242 154 L HN 0.348 nan 8.230 nan 0.000 0.434 155 F N 1.350 121.289 119.950 -0.019 0.000 2.399 155 F HA 0.664 5.191 4.527 -0.000 0.000 0.342 155 F C 1.087 176.867 175.800 -0.033 0.000 1.106 155 F CA -0.059 57.908 58.000 -0.055 0.000 1.196 155 F CB 1.696 40.652 39.000 -0.073 0.000 1.163 155 F HN 0.415 nan 8.300 nan 0.000 0.547 156 G N 1.008 109.862 108.800 0.091 0.000 2.633 156 G HA2 0.469 4.429 3.960 0.000 0.000 0.299 156 G HA3 0.469 4.429 3.960 0.000 0.000 0.299 156 G C -0.717 174.069 174.900 -0.189 0.000 1.501 156 G CA -0.440 44.659 45.100 -0.002 0.000 0.887 156 G HN 0.919 nan 8.290 nan 0.000 0.561 157 G N -0.274 108.401 108.800 -0.208 0.000 2.653 157 G HA2 0.636 4.596 3.960 0.000 0.000 0.265 157 G HA3 0.636 4.596 3.960 0.000 0.000 0.265 157 G C 0.884 175.591 174.900 -0.322 0.000 1.237 157 G CA 0.400 45.276 45.100 -0.373 0.000 0.946 157 G HN 1.807 nan 8.290 nan 0.000 0.522 158 A N -0.898 121.740 122.820 -0.303 0.000 2.553 158 A HA 0.486 4.806 4.320 0.000 0.000 0.258 158 A C 1.610 179.209 177.584 0.025 0.000 1.069 158 A CA 1.225 53.262 52.037 -0.001 0.000 0.767 158 A CB -0.913 18.160 19.000 0.121 0.000 0.997 158 A HN 2.603 nan 8.150 nan 0.000 0.512 159 G N 0.825 109.661 108.800 0.060 0.000 2.136 159 G HA2 -0.168 3.792 3.960 0.000 0.000 0.242 159 G HA3 -0.168 3.792 3.960 0.000 0.000 0.242 159 G C 0.779 175.711 174.900 0.053 0.000 0.989 159 G CA 0.694 45.825 45.100 0.051 0.000 0.682 159 G HN 2.219 nan 8.290 nan 0.000 0.522 160 V N -3.241 116.705 119.914 0.053 0.000 3.590 160 V HA 0.662 4.782 4.120 0.000 0.000 0.265 160 V C 1.580 177.764 176.094 0.150 0.000 1.239 160 V CA 1.546 63.896 62.300 0.082 0.000 1.117 160 V CB 0.481 32.320 31.823 0.026 0.000 0.818 160 V HN 2.127 nan 8.190 nan 0.000 0.451 161 G N 0.180 109.057 108.800 0.128 0.000 2.215 161 G HA2 -0.129 3.831 3.960 0.000 0.000 0.187 161 G HA3 -0.129 3.831 3.960 0.000 0.000 0.187 161 G C 0.512 175.508 174.900 0.161 0.000 1.039 161 G CA 0.166 45.362 45.100 0.160 0.000 0.771 161 G HN 0.373 nan 8.290 nan 0.000 0.507 162 K N -0.198 120.281 120.400 0.132 0.000 2.026 162 K HA -0.040 4.280 4.320 0.000 0.000 0.208 162 K C 2.416 179.105 176.600 0.148 0.000 1.048 162 K CA 1.868 58.234 56.287 0.132 0.000 0.929 162 K CB -0.126 32.442 32.500 0.113 0.000 0.713 162 K HN 0.266 nan 8.250 nan 0.000 0.439 163 T N 0.804 115.446 114.554 0.145 0.000 2.978 163 T HA -0.033 4.317 4.350 0.000 0.000 0.262 163 T C 1.963 176.750 174.700 0.145 0.000 1.063 163 T CA 0.495 62.688 62.100 0.153 0.000 1.140 163 T CB 0.064 69.021 68.868 0.149 0.000 0.886 163 T HN -0.076 nan 8.240 nan 0.000 0.470 164 V N 1.833 121.836 119.914 0.149 0.000 2.295 164 V HA -0.114 4.006 4.120 0.000 0.000 0.246 164 V C 2.389 178.608 176.094 0.210 0.000 1.049 164 V CA 1.372 63.781 62.300 0.181 0.000 1.024 164 V CB -0.552 31.383 31.823 0.186 0.000 0.648 164 V HN 0.348 nan 8.190 nan 0.000 0.447 165 L N -0.153 121.219 121.223 0.248 0.000 2.012 165 L HA -0.175 4.165 4.340 0.000 0.000 0.210 165 L C 2.137 179.081 176.870 0.122 0.000 1.073 165 L CA 1.950 56.929 54.840 0.231 0.000 0.748 165 L CB -0.621 41.606 42.059 0.279 0.000 0.891 165 L HN 0.271 nan 8.230 nan 0.000 0.431 166 I N -1.385 119.273 120.570 0.147 0.000 2.179 166 I HA -0.321 3.849 4.170 0.000 0.000 0.242 166 I C 2.252 178.399 176.117 0.050 0.000 1.088 166 I CA 1.186 62.579 61.300 0.154 0.000 1.357 166 I CB -0.011 38.115 38.000 0.211 0.000 1.051 166 I HN 0.301 nan 8.210 nan 0.000 0.409 167 M N -0.151 119.470 119.600 0.034 0.000 2.108 167 M HA -0.249 4.231 4.480 0.000 0.000 0.261 167 M C 2.180 178.432 176.300 -0.080 0.000 1.066 167 M CA 1.689 56.963 55.300 -0.042 0.000 1.107 167 M CB -1.521 31.078 32.600 -0.002 0.000 1.356 167 M HN 0.213 nan 8.290 nan 0.000 0.406 168 E N 0.772 120.920 120.200 -0.087 0.000 2.058 168 E HA -0.144 4.206 4.350 0.000 0.000 0.194 168 E C 2.041 178.532 176.600 -0.182 0.000 0.997 168 E CA 1.347 57.612 56.400 -0.226 0.000 0.801 168 E CB -0.373 28.955 29.700 -0.619 0.000 0.746 168 E HN 0.489 nan 8.360 nan 0.000 0.450 169 L N 0.033 121.204 121.223 -0.087 0.000 2.046 169 L HA -0.167 4.173 4.340 0.000 0.000 0.208 169 L C 2.493 179.388 176.870 0.042 0.000 1.077 169 L CA 1.160 56.025 54.840 0.041 0.000 0.747 169 L CB -0.393 41.796 42.059 0.217 0.000 0.896 169 L HN 0.234 nan 8.230 nan 0.000 0.432 170 I N -0.294 120.204 120.570 -0.119 0.000 2.163 170 I HA -0.339 3.831 4.170 0.000 0.000 0.243 170 I C 2.285 178.337 176.117 -0.109 0.000 1.085 170 I CA 1.549 62.683 61.300 -0.277 0.000 1.347 170 I CB -0.438 37.237 38.000 -0.541 0.000 1.044 170 I HN 0.332 nan 8.210 nan 0.000 0.408 171 N N 1.200 119.842 118.700 -0.098 0.000 2.025 171 N HA -0.209 4.531 4.740 0.000 0.000 0.194 171 N C 1.519 177.011 175.510 -0.029 0.000 1.044 171 N CA 1.820 54.834 53.050 -0.060 0.000 0.851 171 N CB -0.116 38.332 38.487 -0.066 0.000 1.036 171 N HN 0.214 nan 8.380 nan 0.000 0.422 172 N N -1.085 117.594 118.700 -0.036 0.000 2.396 172 N HA -0.010 4.730 4.740 0.000 0.000 0.180 172 N C 1.028 176.555 175.510 0.028 0.000 1.028 172 N CA 0.475 53.516 53.050 -0.016 0.000 0.893 172 N CB 0.294 38.750 38.487 -0.052 0.000 0.967 172 N HN 0.151 nan 8.380 nan 0.000 0.440 173 V N -0.625 119.325 119.914 0.061 0.000 3.058 173 V HA 0.273 4.393 4.120 0.000 0.000 0.233 173 V C 1.962 178.117 176.094 0.103 0.000 1.255 173 V CA 0.833 63.188 62.300 0.092 0.000 1.267 173 V CB -0.354 31.545 31.823 0.127 0.000 1.049 173 V HN 0.146 nan 8.190 nan 0.000 0.486 174 A N 0.512 123.405 122.820 0.121 0.000 1.835 174 A HA -0.216 4.104 4.320 0.000 0.000 0.215 174 A C 2.140 179.807 177.584 0.139 0.000 1.199 174 A CA 2.186 54.303 52.037 0.133 0.000 0.615 174 A CB -0.562 18.517 19.000 0.132 0.000 0.838 174 A HN 0.458 nan 8.150 nan 0.000 0.444 175 K N -0.417 120.031 120.400 0.081 0.000 2.071 175 K HA -0.214 4.106 4.320 0.000 0.000 0.217 175 K C 1.272 177.918 176.600 0.076 0.000 1.054 175 K CA 1.527 57.852 56.287 0.063 0.000 0.937 175 K CB -0.439 32.079 32.500 0.031 0.000 0.719 175 K HN 0.439 nan 8.250 nan 0.000 0.454 176 A N 1.885 124.754 122.820 0.081 0.000 3.202 176 A HA 0.024 4.345 4.320 0.000 0.000 0.258 176 A C -0.577 177.085 177.584 0.130 0.000 1.572 176 A CA -0.184 51.899 52.037 0.075 0.000 1.241 176 A CB -0.495 18.538 19.000 0.054 0.000 1.127 176 A HN 0.386 nan 8.150 nan 0.000 0.648 177 H N -0.217 118.859 119.070 0.009 0.000 3.224 177 H HA 0.307 4.863 4.556 0.000 0.000 0.331 177 H C -0.289 175.022 175.328 -0.029 0.000 1.002 177 H CA 0.101 56.148 56.048 -0.002 0.000 1.473 177 H CB 0.984 30.758 29.762 0.019 0.000 1.830 177 H HN 0.268 nan 8.280 nan 0.000 0.485 178 G N 3.120 111.658 108.800 -0.436 0.000 2.985 178 G HA2 0.460 4.420 3.960 0.000 0.000 0.282 178 G HA3 0.460 4.420 3.960 0.000 0.000 0.282 178 G C 0.267 174.782 174.900 -0.642 0.000 0.791 178 G CA 0.401 45.258 45.100 -0.405 0.000 1.934 178 G HN 0.760 nan 8.290 nan 0.000 0.563 179 G N -0.038 108.314 108.800 -0.747 0.000 2.731 179 G HA2 0.579 4.539 3.960 0.000 0.000 0.309 179 G HA3 0.579 4.539 3.960 0.000 0.000 0.309 179 G C -1.473 173.214 174.900 -0.356 0.000 1.273 179 G CA -0.947 43.789 45.100 -0.605 0.000 0.798 179 G HN 0.249 nan 8.290 nan 0.000 0.509 180 Y N -0.381 119.911 120.300 -0.013 0.000 2.534 180 Y HA 0.687 5.237 4.550 0.000 0.000 0.329 180 Y C 0.499 176.381 175.900 -0.029 0.000 1.154 180 Y CA -0.742 57.271 58.100 -0.144 0.000 1.192 180 Y CB 2.555 40.670 38.460 -0.575 0.000 1.275 180 Y HN 0.402 nan 8.280 nan 0.000 0.491 181 S N 0.816 116.599 115.700 0.138 0.000 2.548 181 S HA 0.669 5.139 4.470 0.000 0.000 0.286 181 S C -1.310 173.367 174.600 0.129 0.000 1.098 181 S CA -0.821 57.472 58.200 0.156 0.000 0.930 181 S CB 1.956 65.305 63.200 0.247 0.000 1.070 181 S HN 0.323 nan 8.310 nan 0.000 0.480 182 V N 2.768 122.778 119.914 0.161 0.000 2.487 182 V HA 0.498 4.618 4.120 0.000 0.000 0.298 182 V C -1.149 175.072 176.094 0.211 0.000 1.028 182 V CA -0.659 61.736 62.300 0.158 0.000 0.860 182 V CB 1.191 33.084 31.823 0.117 0.000 0.991 182 V HN 0.866 nan 8.190 nan 0.000 0.427 183 F N 4.057 124.052 119.950 0.075 0.000 2.388 183 F HA 0.749 5.276 4.527 0.000 0.000 0.358 183 F C 0.409 176.117 175.800 -0.155 0.000 1.122 183 F CA -0.496 57.517 58.000 0.022 0.000 1.056 183 F CB 1.129 40.134 39.000 0.009 0.000 1.155 183 F HN 0.564 nan 8.300 nan 0.000 0.461 184 A N 5.176 127.694 122.820 -0.503 0.000 2.412 184 A HA 0.553 4.873 4.320 0.000 0.000 0.334 184 A C 0.243 177.491 177.584 -0.559 0.000 1.419 184 A CA -0.367 51.418 52.037 -0.420 0.000 0.930 184 A CB -0.194 18.632 19.000 -0.290 0.000 1.149 184 A HN 0.993 nan 8.150 nan 0.000 0.515 185 G N 1.308 109.751 108.800 -0.594 0.000 2.367 185 G HA2 0.455 4.415 3.960 0.000 0.000 0.280 185 G HA3 0.455 4.415 3.960 0.000 0.000 0.280 185 G C -0.383 174.451 174.900 -0.110 0.000 1.175 185 G CA 0.055 44.977 45.100 -0.297 0.000 1.001 185 G HN 0.707 nan 8.290 nan 0.000 0.437 186 V N 2.936 122.825 119.914 -0.043 0.000 2.349 186 V HA 0.589 4.709 4.120 0.000 0.000 0.284 186 V C 1.090 177.207 176.094 0.038 0.000 1.014 186 V CA 0.245 62.539 62.300 -0.011 0.000 0.826 186 V CB 0.847 32.643 31.823 -0.045 0.000 1.009 186 V HN 1.372 nan 8.190 nan 0.000 0.431 187 G N 3.346 112.177 108.800 0.052 0.000 2.233 187 G HA2 -0.200 3.760 3.960 0.000 0.000 0.270 187 G HA3 -0.200 3.760 3.960 0.000 0.000 0.270 187 G C 0.248 175.187 174.900 0.065 0.000 1.011 187 G CA 0.640 45.765 45.100 0.041 0.000 0.762 187 G HN 0.587 nan 8.290 nan 0.000 0.511 188 E N -0.663 119.605 120.200 0.113 0.000 2.950 188 E HA 0.456 4.807 4.350 0.000 0.000 0.234 188 E C 0.955 177.634 176.600 0.131 0.000 0.936 188 E CA -0.884 55.594 56.400 0.130 0.000 1.114 188 E CB 0.491 30.296 29.700 0.175 0.000 1.555 188 E HN 0.370 nan 8.360 nan 0.000 0.488 189 R N 0.131 120.712 120.500 0.135 0.000 2.438 189 R HA 0.199 4.539 4.340 0.000 0.000 0.287 189 R C 1.223 177.575 176.300 0.086 0.000 1.077 189 R CA 0.092 56.251 56.100 0.097 0.000 1.034 189 R CB 0.491 30.843 30.300 0.086 0.000 0.993 189 R HN 0.390 nan 8.270 nan 0.000 0.459 190 T N 2.536 117.113 114.554 0.037 0.000 2.812 190 T HA -0.123 4.227 4.350 0.000 0.000 0.264 190 T C 1.627 176.291 174.700 -0.060 0.000 1.042 190 T CA 1.485 63.569 62.100 -0.027 0.000 1.140 190 T CB -0.052 68.799 68.868 -0.029 0.000 0.870 190 T HN 0.579 nan 8.240 nan 0.000 0.445 191 R N 1.971 122.463 120.500 -0.014 0.000 2.241 191 R HA 0.026 4.366 4.340 0.000 0.000 0.224 191 R C 1.762 178.058 176.300 -0.005 0.000 1.101 191 R CA 1.448 57.544 56.100 -0.007 0.000 0.995 191 R CB -0.560 29.751 30.300 0.019 0.000 0.870 191 R HN 0.399 nan 8.270 nan 0.000 0.463 192 E N 0.310 120.516 120.200 0.011 0.000 2.112 192 E HA 0.002 4.352 4.350 0.000 0.000 0.190 192 E C 2.106 178.686 176.600 -0.033 0.000 0.979 192 E CA 0.887 57.302 56.400 0.026 0.000 0.814 192 E CB -0.239 29.516 29.700 0.091 0.000 0.762 192 E HN 0.598 nan 8.360 nan 0.000 0.460 193 G N 1.539 110.268 108.800 -0.118 0.000 2.491 193 G HA2 -0.401 3.560 3.960 0.000 0.000 0.218 193 G HA3 -0.401 3.560 3.960 0.000 0.000 0.218 193 G C 1.408 176.114 174.900 -0.325 0.000 1.180 193 G CA 1.334 46.147 45.100 -0.479 0.000 0.774 193 G HN 0.234 nan 8.290 nan 0.000 0.562 194 N N 0.446 119.015 118.700 -0.218 0.000 2.149 194 N HA -0.120 4.620 4.740 0.000 0.000 0.188 194 N C 1.713 177.208 175.510 -0.025 0.000 1.019 194 N CA 1.693 54.672 53.050 -0.118 0.000 0.857 194 N CB -0.098 38.374 38.487 -0.025 0.000 0.997 194 N HN 0.207 nan 8.380 nan 0.000 0.426 195 D N 0.288 120.684 120.400 -0.007 0.000 2.084 195 D HA -0.152 4.488 4.640 0.000 0.000 0.194 195 D C 1.975 178.265 176.300 -0.017 0.000 0.990 195 D CA 0.672 54.685 54.000 0.021 0.000 0.826 195 D CB -0.468 40.342 40.800 0.016 0.000 0.971 195 D HN 0.311 nan 8.370 nan 0.000 0.453 196 L N -0.254 120.926 121.223 -0.072 0.000 2.083 196 L HA -0.221 4.119 4.340 0.000 0.000 0.209 196 L C 2.430 179.266 176.870 -0.057 0.000 1.083 196 L CA 1.205 55.974 54.840 -0.117 0.000 0.752 196 L CB -0.209 41.704 42.059 -0.242 0.000 0.899 196 L HN -0.002 nan 8.230 nan 0.000 0.433 197 Y N 0.050 120.220 120.300 -0.216 0.000 2.114 197 Y HA -0.297 4.254 4.550 0.001 0.000 0.284 197 Y C 2.458 178.240 175.900 -0.197 0.000 1.143 197 Y CA 2.192 60.148 58.100 -0.239 0.000 1.135 197 Y CB -0.569 37.669 38.460 -0.370 0.000 0.980 197 Y HN 0.334 nan 8.280 nan 0.000 0.499 198 H N -0.998 117.999 119.070 -0.122 0.000 2.428 198 H HA -0.097 4.459 4.556 0.000 0.000 0.296 198 H C 2.246 177.486 175.328 -0.146 0.000 1.062 198 H CA 1.023 56.954 56.048 -0.194 0.000 1.350 198 H CB 0.071 29.773 29.762 -0.100 0.000 1.403 198 H HN 0.330 nan 8.280 nan 0.000 0.533 199 E N 0.998 121.202 120.200 0.007 0.000 2.077 199 E HA -0.185 4.165 4.350 0.000 0.000 0.193 199 E C 1.972 178.540 176.600 -0.053 0.000 0.989 199 E CA 1.052 57.438 56.400 -0.024 0.000 0.800 199 E CB 0.035 29.715 29.700 -0.035 0.000 0.746 199 E HN 0.521 nan 8.360 nan 0.000 0.452 200 M N 0.011 119.565 119.600 -0.077 0.000 2.175 200 M HA -0.110 4.370 4.480 0.000 0.000 0.264 200 M C 2.382 178.627 176.300 -0.092 0.000 1.063 200 M CA 0.977 56.232 55.300 -0.076 0.000 1.119 200 M CB -0.186 32.378 32.600 -0.060 0.000 1.377 200 M HN 0.113 nan 8.290 nan 0.000 0.415 201 I N -0.228 120.253 120.570 -0.149 0.000 2.226 201 I HA -0.251 3.919 4.170 0.000 0.000 0.245 201 I C 2.601 178.671 176.117 -0.079 0.000 1.100 201 I CA 1.096 62.311 61.300 -0.141 0.000 1.374 201 I CB -0.474 37.405 38.000 -0.201 0.000 1.057 201 I HN 0.299 nan 8.210 nan 0.000 0.413 202 E N 0.840 121.003 120.200 -0.061 0.000 2.110 202 E HA -0.202 4.148 4.350 0.000 0.000 0.193 202 E C 2.244 178.821 176.600 -0.039 0.000 0.988 202 E CA 1.845 58.218 56.400 -0.045 0.000 0.804 202 E CB 0.005 29.683 29.700 -0.037 0.000 0.745 202 E HN 0.507 nan 8.360 nan 0.000 0.458 203 S N -1.620 114.057 115.700 -0.039 0.000 2.548 203 S HA 0.160 4.630 4.470 0.000 0.000 0.215 203 S C 1.543 176.128 174.600 -0.025 0.000 0.976 203 S CA 0.821 59.004 58.200 -0.029 0.000 0.908 203 S CB 0.492 63.675 63.200 -0.028 0.000 0.781 203 S HN 0.301 nan 8.310 nan 0.000 0.519 204 G N 1.123 109.904 108.800 -0.032 0.000 2.168 204 G HA2 -0.349 3.611 3.960 0.000 0.000 0.263 204 G HA3 -0.349 3.611 3.960 0.000 0.000 0.263 204 G C 0.859 175.751 174.900 -0.013 0.000 0.977 204 G CA 0.708 45.793 45.100 -0.025 0.000 0.659 204 G HN 1.455 nan 8.290 nan 0.000 0.533 205 V N -1.927 117.980 119.914 -0.011 0.000 2.970 205 V HA 0.419 4.539 4.120 0.000 0.000 0.260 205 V C 1.237 177.337 176.094 0.010 0.000 1.100 205 V CA 1.376 63.681 62.300 0.008 0.000 1.122 205 V CB -0.126 31.705 31.823 0.014 0.000 0.721 205 V HN 0.468 nan 8.190 nan 0.000 0.483 206 I N 2.096 122.658 120.570 -0.014 0.000 2.378 206 I HA 0.449 4.619 4.170 0.000 0.000 0.291 206 I C -0.520 175.577 176.117 -0.033 0.000 0.992 206 I CA -0.263 61.027 61.300 -0.016 0.000 1.154 206 I CB 1.519 39.497 38.000 -0.036 0.000 1.315 206 I HN 0.164 nan 8.210 nan 0.000 0.448 207 N N 6.634 125.326 118.700 -0.014 0.000 2.372 207 N HA 0.354 5.094 4.740 0.000 0.000 0.285 207 N C 0.157 175.662 175.510 -0.009 0.000 1.008 207 N CA -0.422 52.619 53.050 -0.016 0.000 0.880 207 N CB 2.218 40.702 38.487 -0.004 0.000 1.239 207 N HN 0.622 nan 8.380 nan 0.000 0.484 208 L N 2.751 123.965 121.223 -0.016 0.000 2.591 208 L HA 0.108 4.448 4.340 0.000 0.000 0.228 208 L C 1.128 178.002 176.870 0.007 0.000 1.133 208 L CA 0.745 55.585 54.840 -0.000 0.000 0.880 208 L CB 0.168 42.222 42.059 -0.008 0.000 1.033 208 L HN 0.489 nan 8.230 nan 0.000 0.450 209 K N -2.218 118.184 120.400 0.003 0.000 2.574 209 K HA 0.153 4.473 4.320 0.000 0.000 0.215 209 K C -0.032 176.571 176.600 0.005 0.000 1.485 209 K CA -0.367 55.923 56.287 0.004 0.000 1.006 209 K CB 0.891 33.392 32.500 0.001 0.000 1.254 209 K HN -0.008 nan 8.250 nan 0.000 0.580 210 D N 0.563 120.966 120.400 0.005 0.000 2.447 210 D HA 0.246 4.886 4.640 0.000 0.000 0.265 210 D C 0.444 176.750 176.300 0.010 0.000 1.250 210 D CA -0.052 53.953 54.000 0.008 0.000 1.046 210 D CB 0.986 41.791 40.800 0.008 0.000 1.095 210 D HN 0.110 nan 8.370 nan 0.000 0.555 211 A N -0.719 122.109 122.820 0.013 0.000 2.430 211 A HA 0.075 4.396 4.320 0.000 0.000 0.243 211 A C 1.249 178.846 177.584 0.021 0.000 1.254 211 A CA 0.173 52.218 52.037 0.013 0.000 0.914 211 A CB -0.461 18.549 19.000 0.016 0.000 0.998 211 A HN 0.484 nan 8.150 nan 0.000 0.515 212 T N -1.739 112.829 114.554 0.024 0.000 3.194 212 T HA 0.118 4.468 4.350 0.000 0.000 0.251 212 T C 0.669 175.394 174.700 0.041 0.000 1.132 212 T CA 0.378 62.499 62.100 0.036 0.000 1.028 212 T CB -0.556 68.329 68.868 0.028 0.000 0.976 212 T HN 0.153 nan 8.240 nan 0.000 0.535 213 S N 1.867 117.581 115.700 0.023 0.000 2.560 213 S HA 0.197 4.667 4.470 0.000 0.000 0.284 213 S C 1.055 175.673 174.600 0.029 0.000 1.327 213 S CA -0.521 57.691 58.200 0.019 0.000 1.055 213 S CB 0.791 63.994 63.200 0.005 0.000 0.868 213 S HN 0.358 nan 8.310 nan 0.000 0.506 214 K N 0.810 121.246 120.400 0.059 0.000 2.425 214 K HA 0.206 4.526 4.320 0.000 0.000 0.201 214 K C -0.262 176.392 176.600 0.089 0.000 1.128 214 K CA 0.328 56.697 56.287 0.135 0.000 1.000 214 K CB 0.686 33.276 32.500 0.151 0.000 0.961 214 K HN 0.431 nan 8.250 nan 0.000 0.555 215 V N 1.325 121.271 119.914 0.054 0.000 2.581 215 V HA 0.619 4.739 4.120 0.000 0.000 0.303 215 V C -0.284 175.841 176.094 0.052 0.000 1.041 215 V CA -1.341 61.000 62.300 0.069 0.000 0.907 215 V CB 1.634 33.522 31.823 0.107 0.000 0.994 215 V HN 0.108 nan 8.190 nan 0.000 0.442 216 A N 4.793 127.654 122.820 0.068 0.000 2.317 216 A HA 0.873 5.193 4.320 0.000 0.000 0.327 216 A C -0.782 176.886 177.584 0.140 0.000 1.178 216 A CA -0.567 51.530 52.037 0.100 0.000 0.817 216 A CB 0.723 19.806 19.000 0.137 0.000 1.189 216 A HN 0.821 nan 8.150 nan 0.000 0.489 217 L N 2.707 124.017 121.223 0.146 0.000 2.307 217 L HA 0.619 4.959 4.340 0.000 0.000 0.284 217 L C -0.927 176.028 176.870 0.141 0.000 1.023 217 L CA -0.867 54.087 54.840 0.190 0.000 0.810 217 L CB 1.760 43.992 42.059 0.289 0.000 1.231 217 L HN 0.431 nan 8.230 nan 0.000 0.423 218 V N 2.980 122.930 119.914 0.061 0.000 2.531 218 V HA 0.472 4.592 4.120 0.000 0.000 0.301 218 V C -1.215 174.823 176.094 -0.092 0.000 1.034 218 V CA -0.716 61.596 62.300 0.020 0.000 0.865 218 V CB 1.645 33.453 31.823 -0.024 0.000 0.995 218 V HN 0.458 nan 8.190 nan 0.000 0.424 219 Y N 1.549 121.870 120.300 0.035 0.000 2.421 219 Y HA 0.738 5.288 4.550 -0.000 0.000 0.339 219 Y C 0.497 176.408 175.900 0.019 0.000 0.996 219 Y CA -0.601 57.524 58.100 0.041 0.000 1.046 219 Y CB 2.870 41.344 38.460 0.024 0.000 1.226 219 Y HN 0.741 nan 8.280 nan 0.000 0.445 220 G N 3.843 112.739 108.800 0.160 0.000 3.598 220 G HA2 0.316 4.276 3.960 0.000 0.000 0.320 220 G HA3 0.316 4.276 3.960 0.000 0.000 0.320 220 G C -0.900 174.064 174.900 0.107 0.000 1.560 220 G CA -0.535 44.629 45.100 0.107 0.000 0.904 220 G HN 0.301 nan 8.290 nan 0.000 0.489 221 Q N 0.991 120.872 119.800 0.135 0.000 2.370 221 Q HA 0.217 4.557 4.340 0.000 0.000 0.186 221 Q C 2.006 178.045 176.000 0.065 0.000 1.093 221 Q CA -0.583 55.293 55.803 0.122 0.000 1.142 221 Q CB 0.495 29.313 28.738 0.134 0.000 1.175 221 Q HN 0.731 nan 8.270 nan 0.000 0.625 222 M N -0.873 118.760 119.600 0.055 0.000 2.691 222 M HA 0.040 4.520 4.480 0.000 0.000 0.227 222 M C 0.387 176.700 176.300 0.021 0.000 1.120 222 M CA 1.115 56.433 55.300 0.029 0.000 1.034 222 M CB -0.707 31.908 32.600 0.025 0.000 1.675 222 M HN 0.525 nan 8.290 nan 0.000 0.514 223 N N -0.740 117.974 118.700 0.024 0.000 2.356 223 N HA 0.080 4.820 4.740 0.000 0.000 0.178 223 N C -0.191 175.327 175.510 0.013 0.000 1.075 223 N CA -0.329 52.730 53.050 0.016 0.000 0.889 223 N CB 0.185 38.680 38.487 0.014 0.000 0.999 223 N HN 0.254 nan 8.380 nan 0.000 0.464 224 E N 1.963 122.173 120.200 0.017 0.000 2.373 224 E HA 0.225 4.575 4.350 0.000 0.000 0.263 224 E C -2.100 174.502 176.600 0.004 0.000 1.073 224 E CA -1.920 54.489 56.400 0.014 0.000 0.894 224 E CB 0.450 30.164 29.700 0.022 0.000 1.008 224 E HN 0.226 nan 8.360 nan 0.000 0.420 225 P HA 0.112 nan 4.420 nan 0.000 0.275 225 P C -1.990 175.303 177.300 -0.011 0.000 1.266 225 P CA -1.188 61.909 63.100 -0.005 0.000 0.793 225 P CB 0.032 31.730 31.700 -0.002 0.000 1.074 226 P HA -0.147 nan 4.420 nan 0.000 0.216 226 P C 1.696 178.975 177.300 -0.035 0.000 1.153 226 P CA 1.843 64.920 63.100 -0.039 0.000 0.848 226 P CB -0.748 30.923 31.700 -0.048 0.000 0.787 227 G N 0.649 109.438 108.800 -0.019 0.000 2.469 227 G HA2 -0.302 3.658 3.960 0.000 0.000 0.219 227 G HA3 -0.302 3.658 3.960 0.000 0.000 0.219 227 G C 1.805 176.711 174.900 0.010 0.000 1.150 227 G CA 1.358 46.456 45.100 -0.003 0.000 0.763 227 G HN 0.398 nan 8.290 nan 0.000 0.561 228 A N 0.619 123.445 122.820 0.010 0.000 1.873 228 A HA 0.050 4.370 4.320 0.000 0.000 0.215 228 A C 2.447 180.044 177.584 0.022 0.000 1.186 228 A CA 1.584 53.632 52.037 0.019 0.000 0.616 228 A CB -0.381 18.630 19.000 0.018 0.000 0.823 228 A HN 0.344 nan 8.150 nan 0.000 0.442 229 R N -0.514 119.992 120.500 0.010 0.000 2.152 229 R HA -0.029 4.311 4.340 0.000 0.000 0.232 229 R C 2.237 178.553 176.300 0.027 0.000 1.117 229 R CA 1.019 57.124 56.100 0.009 0.000 0.981 229 R CB -0.358 29.929 30.300 -0.021 0.000 0.870 229 R HN 0.508 nan 8.270 nan 0.000 0.451 230 A N 0.494 123.314 122.820 -0.001 0.000 2.066 230 A HA -0.041 4.279 4.320 0.000 0.000 0.218 230 A C 1.763 179.442 177.584 0.158 0.000 1.157 230 A CA 0.923 52.953 52.037 -0.011 0.000 0.670 230 A CB 0.087 19.034 19.000 -0.088 0.000 0.804 230 A HN 0.069 nan 8.150 nan 0.000 0.453 231 R N -1.015 119.549 120.500 0.106 0.000 2.369 231 R HA 0.087 4.427 4.340 0.000 0.000 0.210 231 R C 1.856 178.174 176.300 0.031 0.000 0.881 231 R CA 1.145 57.296 56.100 0.085 0.000 1.031 231 R CB -0.663 29.667 30.300 0.050 0.000 1.184 231 R HN 0.437 nan 8.270 nan 0.000 0.581 232 V N 0.637 120.569 119.914 0.030 0.000 2.370 232 V HA -0.248 3.872 4.120 0.000 0.000 0.252 232 V C 2.511 178.576 176.094 -0.048 0.000 1.068 232 V CA 2.093 64.390 62.300 -0.006 0.000 1.061 232 V CB -1.382 30.441 31.823 0.000 0.000 0.656 232 V HN 0.183 nan 8.190 nan 0.000 0.455 233 A N 0.501 123.291 122.820 -0.051 0.000 1.940 233 A HA -0.118 4.202 4.320 0.000 0.000 0.219 233 A C 2.278 179.765 177.584 -0.162 0.000 1.176 233 A CA 2.218 54.170 52.037 -0.141 0.000 0.631 233 A CB -0.555 18.305 19.000 -0.235 0.000 0.814 233 A HN 0.557 nan 8.150 nan 0.000 0.446 234 L N -0.932 120.208 121.223 -0.137 0.000 2.044 234 L HA -0.140 4.200 4.340 0.000 0.000 0.205 234 L C 2.822 179.612 176.870 -0.133 0.000 1.075 234 L CA 1.802 56.544 54.840 -0.163 0.000 0.747 234 L CB -1.441 40.493 42.059 -0.209 0.000 0.903 234 L HN 0.392 nan 8.230 nan 0.000 0.435 235 T N 0.178 114.671 114.554 -0.103 0.000 2.544 235 T HA -0.220 4.130 4.350 0.000 0.000 0.264 235 T C 1.857 176.520 174.700 -0.061 0.000 1.096 235 T CA 1.670 63.729 62.100 -0.068 0.000 1.181 235 T CB -1.007 67.837 68.868 -0.041 0.000 0.864 235 T HN 0.535 nan 8.240 nan 0.000 0.415 236 G N 1.279 110.037 108.800 -0.072 0.000 2.476 236 G HA2 -0.229 3.731 3.960 0.000 0.000 0.218 236 G HA3 -0.229 3.731 3.960 0.000 0.000 0.218 236 G C 1.550 176.414 174.900 -0.060 0.000 1.164 236 G CA 1.083 46.141 45.100 -0.069 0.000 0.768 236 G HN 0.490 nan 8.290 nan 0.000 0.560 237 L N 0.284 121.450 121.223 -0.095 0.000 1.990 237 L HA -0.140 4.200 4.340 0.000 0.000 0.213 237 L C 3.033 179.872 176.870 -0.050 0.000 1.072 237 L CA 2.411 57.195 54.840 -0.093 0.000 0.755 237 L CB -0.682 41.294 42.059 -0.138 0.000 0.889 237 L HN 0.256 nan 8.230 nan 0.000 0.432 238 T N -0.570 113.950 114.554 -0.056 0.000 2.665 238 T HA -0.231 4.119 4.350 0.000 0.000 0.268 238 T C 1.896 176.591 174.700 -0.008 0.000 1.035 238 T CA 1.769 63.847 62.100 -0.036 0.000 1.151 238 T CB -0.479 68.360 68.868 -0.049 0.000 0.862 238 T HN 0.235 nan 8.240 nan 0.000 0.438 239 V N 1.611 121.522 119.914 -0.005 0.000 2.324 239 V HA -0.258 3.862 4.120 0.000 0.000 0.250 239 V C 2.813 178.990 176.094 0.139 0.000 1.060 239 V CA 1.896 64.206 62.300 0.018 0.000 1.042 239 V CB -1.141 30.724 31.823 0.069 0.000 0.650 239 V HN 0.581 nan 8.190 nan 0.000 0.450 240 A N -0.994 121.914 122.820 0.147 0.000 1.969 240 A HA -0.215 4.105 4.320 0.000 0.000 0.218 240 A C 2.160 179.838 177.584 0.157 0.000 1.169 240 A CA 1.713 53.872 52.037 0.203 0.000 0.635 240 A CB -0.390 18.657 19.000 0.079 0.000 0.810 240 A HN 0.633 nan 8.150 nan 0.000 0.445 241 E N -1.491 118.749 120.200 0.067 0.000 2.031 241 E HA -0.204 4.147 4.350 0.000 0.000 0.193 241 E C 1.795 178.407 176.600 0.020 0.000 0.994 241 E CA 1.370 57.787 56.400 0.028 0.000 0.800 241 E CB -0.364 29.333 29.700 -0.005 0.000 0.752 241 E HN 0.739 nan 8.360 nan 0.000 0.447 242 Y N 0.652 120.878 120.300 -0.122 0.000 2.030 242 Y HA -0.357 4.193 4.550 -0.000 0.000 0.272 242 Y C 1.956 177.755 175.900 -0.167 0.000 1.185 242 Y CA 2.121 60.087 58.100 -0.223 0.000 1.120 242 Y CB -0.509 37.690 38.460 -0.435 0.000 0.955 242 Y HN 0.017 nan 8.280 nan 0.000 0.495 243 F N -0.164 119.949 119.950 0.271 0.000 2.216 243 F HA -0.204 4.323 4.527 0.000 0.000 0.300 243 F C 2.742 178.591 175.800 0.082 0.000 1.085 243 F CA 1.566 59.705 58.000 0.231 0.000 1.326 243 F CB -0.392 38.778 39.000 0.285 0.000 1.027 243 F HN 0.032 nan 8.300 nan 0.000 0.497 244 R N 0.518 121.130 120.500 0.188 0.000 2.062 244 R HA -0.127 4.214 4.340 0.000 0.000 0.229 244 R C 1.534 177.833 176.300 -0.002 0.000 1.128 244 R CA 1.970 58.119 56.100 0.082 0.000 0.960 244 R CB -0.260 30.069 30.300 0.048 0.000 0.855 244 R HN 0.130 nan 8.270 nan 0.000 0.432 245 D N 0.501 120.857 120.400 -0.073 0.000 2.146 245 D HA -0.073 4.568 4.640 0.000 0.000 0.209 245 D C 1.238 177.422 176.300 -0.194 0.000 0.973 245 D CA 0.905 54.829 54.000 -0.127 0.000 0.860 245 D CB -0.147 40.569 40.800 -0.141 0.000 1.015 245 D HN 0.196 nan 8.370 nan 0.000 0.465 246 Q N 0.486 120.049 119.800 -0.395 0.000 2.265 246 Q HA 0.117 4.457 4.340 0.000 0.000 0.217 246 Q C 0.290 176.141 176.000 -0.248 0.000 0.916 246 Q CA 0.415 55.932 55.803 -0.476 0.000 0.948 246 Q CB 0.704 28.801 28.738 -1.069 0.000 1.020 246 Q HN 0.428 nan 8.270 nan 0.000 0.462 247 E N -1.424 118.719 120.200 -0.095 0.000 2.624 247 E HA 0.161 4.511 4.350 0.000 0.000 0.192 247 E C 0.616 177.225 176.600 0.015 0.000 0.961 247 E CA 0.462 56.877 56.400 0.026 0.000 1.632 247 E CB 0.727 30.529 29.700 0.170 0.000 2.082 247 E HN 0.319 nan 8.360 nan 0.000 1.040 248 G N 1.602 110.401 108.800 -0.001 0.000 2.159 248 G HA2 -0.300 3.660 3.960 0.000 0.000 0.256 248 G HA3 -0.300 3.660 3.960 0.000 0.000 0.256 248 G C 0.326 175.231 174.900 0.009 0.000 0.977 248 G CA 0.756 45.853 45.100 -0.005 0.000 0.652 248 G HN 0.135 nan 8.290 nan 0.000 0.531 249 Q N 0.396 120.217 119.800 0.036 0.000 2.272 249 Q HA 0.528 4.868 4.340 0.000 0.000 0.192 249 Q C -0.248 175.767 176.000 0.026 0.000 1.059 249 Q CA -0.419 55.392 55.803 0.015 0.000 1.084 249 Q CB 0.379 29.122 28.738 0.008 0.000 1.139 249 Q HN 0.217 nan 8.270 nan 0.000 0.593 250 D N 0.130 120.534 120.400 0.007 0.000 2.396 250 D HA 0.282 4.922 4.640 0.000 0.000 0.225 250 D C -1.107 175.301 176.300 0.180 0.000 1.121 250 D CA -0.064 53.993 54.000 0.096 0.000 0.853 250 D CB 0.682 41.565 40.800 0.138 0.000 1.043 250 D HN 0.080 nan 8.370 nan 0.000 0.500 251 V N 3.674 123.659 119.914 0.117 0.000 2.435 251 V HA 0.390 4.510 4.120 0.000 0.000 0.290 251 V C 0.322 176.397 176.094 -0.032 0.000 1.030 251 V CA -0.839 61.518 62.300 0.096 0.000 0.881 251 V CB 1.643 33.540 31.823 0.123 0.000 0.983 251 V HN 0.322 nan 8.190 nan 0.000 0.445 252 L N 5.311 126.480 121.223 -0.090 0.000 2.309 252 L HA 0.631 4.971 4.340 0.000 0.000 0.282 252 L C -0.757 175.980 176.870 -0.223 0.000 1.036 252 L CA -0.638 54.044 54.840 -0.264 0.000 0.806 252 L CB 1.645 43.518 42.059 -0.311 0.000 1.220 252 L HN 0.469 nan 8.230 nan 0.000 0.429 253 L N 3.627 124.598 121.223 -0.421 0.000 2.404 253 L HA 0.552 4.892 4.340 0.000 0.000 0.272 253 L C -1.400 175.155 176.870 -0.526 0.000 0.980 253 L CA 0.119 54.769 54.840 -0.317 0.000 0.836 253 L CB 1.230 43.162 42.059 -0.210 0.000 1.238 253 L HN 0.207 nan 8.230 nan 0.000 0.408 254 F N 5.926 125.753 119.950 -0.204 0.000 2.427 254 F HA 0.609 5.136 4.527 -0.000 0.000 0.346 254 F C -0.000 175.407 175.800 -0.655 0.000 1.120 254 F CA -0.459 57.349 58.000 -0.320 0.000 1.033 254 F CB 1.370 40.287 39.000 -0.138 0.000 1.126 254 F HN 0.234 nan 8.300 nan 0.000 0.462 255 I N 2.833 123.170 120.570 -0.387 0.000 2.433 255 I HA 0.348 4.518 4.170 0.000 0.000 0.292 255 I C -1.134 174.767 176.117 -0.360 0.000 1.001 255 I CA -0.482 60.534 61.300 -0.473 0.000 1.119 255 I CB 1.868 39.683 38.000 -0.307 0.000 1.289 255 I HN 0.433 nan 8.210 nan 0.000 0.438 256 D N 5.950 126.127 120.400 -0.373 0.000 2.479 256 D HA 0.275 4.915 4.640 0.000 0.000 0.246 256 D C -1.439 174.867 176.300 0.009 0.000 1.336 256 D CA -0.322 53.644 54.000 -0.058 0.000 0.967 256 D CB 1.064 41.958 40.800 0.155 0.000 1.275 256 D HN 0.430 nan 8.370 nan 0.000 0.577 257 N N 4.345 123.062 118.700 0.027 0.000 2.310 257 N HA 0.164 4.904 4.740 0.000 0.000 0.292 257 N C 0.261 175.799 175.510 0.046 0.000 1.049 257 N CA -0.503 52.578 53.050 0.052 0.000 0.849 257 N CB 1.679 40.255 38.487 0.148 0.000 1.532 257 N HN 0.273 nan 8.380 nan 0.000 0.479 258 I N 3.878 124.455 120.570 0.013 0.000 2.676 258 I HA -0.038 4.132 4.170 0.000 0.000 0.259 258 I C 1.707 177.891 176.117 0.113 0.000 1.194 258 I CA 0.547 61.847 61.300 0.000 0.000 1.473 258 I CB -0.784 37.156 38.000 -0.100 0.000 1.096 258 I HN 0.627 nan 8.210 nan 0.000 0.443 259 F N 1.931 121.900 119.950 0.032 0.000 2.095 259 F HA -0.246 4.281 4.527 0.000 0.000 0.298 259 F C 2.367 178.218 175.800 0.085 0.000 1.104 259 F CA 1.598 59.645 58.000 0.078 0.000 1.232 259 F CB -0.533 38.544 39.000 0.128 0.000 0.987 259 F HN -0.025 nan 8.300 nan 0.000 0.475 260 R N 0.243 120.622 120.500 -0.202 0.000 2.174 260 R HA -0.280 4.060 4.340 0.000 0.000 0.253 260 R C 2.203 178.374 176.300 -0.214 0.000 1.165 260 R CA 1.861 57.788 56.100 -0.289 0.000 0.984 260 R CB -2.099 28.163 30.300 -0.064 0.000 0.873 260 R HN 0.561 nan 8.270 nan 0.000 0.456 261 F N 1.638 121.455 119.950 -0.223 0.000 2.146 261 F HA -0.156 4.372 4.527 0.002 0.000 0.298 261 F C 1.949 177.642 175.800 -0.179 0.000 1.096 261 F CA 1.683 59.583 58.000 -0.166 0.000 1.275 261 F CB -0.251 38.674 39.000 -0.125 0.000 1.008 261 F HN -0.124 nan 8.300 nan 0.000 0.480 262 T N 0.095 114.444 114.554 -0.340 0.000 2.851 262 T HA -0.182 4.168 4.350 0.000 0.000 0.262 262 T C 1.845 176.336 174.700 -0.349 0.000 1.043 262 T CA 1.321 63.178 62.100 -0.406 0.000 1.140 262 T CB -0.369 68.408 68.868 -0.153 0.000 0.872 262 T HN 0.433 nan 8.240 nan 0.000 0.446 263 Q N 0.995 120.496 119.800 -0.499 0.000 2.030 263 Q HA -0.160 4.180 4.340 0.000 0.000 0.204 263 Q C 2.500 178.350 176.000 -0.249 0.000 0.986 263 Q CA 1.755 57.331 55.803 -0.377 0.000 0.843 263 Q CB -0.378 27.958 28.738 -0.669 0.000 0.904 263 Q HN 0.510 nan 8.270 nan 0.000 0.420 264 A N 0.658 123.308 122.820 -0.283 0.000 1.859 264 A HA -0.206 4.114 4.320 0.000 0.000 0.217 264 A C 2.348 179.803 177.584 -0.216 0.000 1.198 264 A CA 2.019 53.930 52.037 -0.209 0.000 0.629 264 A CB -1.833 17.056 19.000 -0.185 0.000 0.830 264 A HN 0.658 nan 8.150 nan 0.000 0.446 265 G N -0.704 107.890 108.800 -0.343 0.000 2.606 265 G HA2 -0.380 3.580 3.960 0.000 0.000 0.221 265 G HA3 -0.380 3.580 3.960 0.000 0.000 0.221 265 G C 1.969 176.781 174.900 -0.148 0.000 1.152 265 G CA 2.060 46.974 45.100 -0.310 0.000 0.765 265 G HN 0.706 nan 8.290 nan 0.000 0.595 266 S N 0.429 116.076 115.700 -0.088 0.000 2.370 266 S HA -0.145 4.325 4.470 0.000 0.000 0.226 266 S C 2.258 176.833 174.600 -0.042 0.000 1.033 266 S CA 1.974 60.173 58.200 -0.003 0.000 1.011 266 S CB -0.367 62.865 63.200 0.054 0.000 0.852 266 S HN 0.636 nan 8.310 nan 0.000 0.457 267 E N 0.253 120.413 120.200 -0.067 0.000 2.150 267 E HA -0.091 4.259 4.350 0.000 0.000 0.193 267 E C 2.134 178.707 176.600 -0.045 0.000 0.985 267 E CA 1.448 57.814 56.400 -0.056 0.000 0.814 267 E CB -0.214 29.449 29.700 -0.061 0.000 0.752 267 E HN 0.669 nan 8.360 nan 0.000 0.466 268 V N -1.850 118.033 119.914 -0.052 0.000 3.174 268 V HA 0.029 4.149 4.120 0.000 0.000 0.254 268 V C 2.102 178.180 176.094 -0.028 0.000 1.120 268 V CA 1.338 63.616 62.300 -0.037 0.000 1.114 268 V CB 0.582 32.381 31.823 -0.040 0.000 0.756 268 V HN 0.077 nan 8.190 nan 0.000 0.467 269 S N 0.639 116.321 115.700 -0.029 0.000 2.402 269 S HA -0.027 4.444 4.470 0.000 0.000 0.229 269 S C 2.158 176.753 174.600 -0.008 0.000 1.021 269 S CA 1.633 59.824 58.200 -0.015 0.000 0.974 269 S CB -0.418 62.778 63.200 -0.007 0.000 0.800 269 S HN 0.984 nan 8.310 nan 0.000 0.484 270 A N 1.683 124.496 122.820 -0.012 0.000 1.858 270 A HA 0.004 4.324 4.320 0.000 0.000 0.216 270 A C 2.153 179.733 177.584 -0.007 0.000 1.190 270 A CA 1.544 53.575 52.037 -0.010 0.000 0.617 270 A CB -0.908 18.083 19.000 -0.015 0.000 0.827 270 A HN 0.562 nan 8.150 nan 0.000 0.443 271 L N -0.519 120.699 121.223 -0.009 0.000 2.046 271 L HA -0.145 4.195 4.340 0.000 0.000 0.208 271 L C 2.257 179.126 176.870 -0.002 0.000 1.077 271 L CA 0.892 55.729 54.840 -0.006 0.000 0.747 271 L CB -0.617 41.438 42.059 -0.008 0.000 0.896 271 L HN 0.343 nan 8.230 nan 0.000 0.432 272 L N 0.318 121.539 121.223 -0.002 0.000 2.549 272 L HA -0.041 4.299 4.340 0.000 0.000 0.230 272 L C 1.321 178.194 176.870 0.005 0.000 1.162 272 L CA 0.600 55.441 54.840 0.003 0.000 0.834 272 L CB -1.062 40.997 42.059 0.000 0.000 0.947 272 L HN 0.562 nan 8.230 nan 0.000 0.452 273 G N 0.817 109.620 108.800 0.003 0.000 2.246 273 G HA2 -0.299 3.661 3.960 0.000 0.000 0.273 273 G HA3 -0.299 3.661 3.960 0.000 0.000 0.273 273 G C 0.117 175.021 174.900 0.007 0.000 1.055 273 G CA -0.043 45.060 45.100 0.005 0.000 0.851 273 G HN 0.300 nan 8.290 nan 0.000 0.500 274 R N -1.002 119.502 120.500 0.007 0.000 2.531 274 R HA 0.638 4.978 4.340 0.000 0.000 0.273 274 R C 1.092 177.399 176.300 0.012 0.000 1.070 274 R CA -0.587 55.519 56.100 0.010 0.000 1.112 274 R CB 0.562 30.869 30.300 0.011 0.000 1.049 274 R HN 0.317 nan 8.270 nan 0.000 0.508 275 I N 5.290 125.869 120.570 0.014 0.000 2.471 275 I HA 0.140 4.310 4.170 0.000 0.000 0.286 275 I C -1.579 174.551 176.117 0.022 0.000 1.079 275 I CA -1.561 59.748 61.300 0.016 0.000 1.398 275 I CB 0.842 38.852 38.000 0.016 0.000 1.403 275 I HN 0.408 nan 8.210 nan 0.000 0.530 276 P HA 0.081 nan 4.420 nan 0.000 0.272 276 P C -0.398 176.929 177.300 0.045 0.000 1.230 276 P CA -0.276 62.844 63.100 0.034 0.000 0.788 276 P CB 1.262 32.975 31.700 0.022 0.000 0.949 277 S N 0.481 116.223 115.700 0.070 0.000 2.561 277 S HA 0.606 5.076 4.470 0.000 0.000 0.282 277 S C -0.083 174.575 174.600 0.097 0.000 1.123 277 S CA -0.340 57.907 58.200 0.080 0.000 1.011 277 S CB -0.029 63.226 63.200 0.092 0.000 1.244 277 S HN 0.592 nan 8.310 nan 0.000 0.503 278 A N 0.491 123.382 122.820 0.117 0.000 2.546 278 A HA 0.409 4.729 4.320 0.000 0.000 0.243 278 A C 0.946 178.635 177.584 0.175 0.000 1.063 278 A CA 0.444 52.559 52.037 0.129 0.000 0.757 278 A CB -1.066 18.012 19.000 0.130 0.000 0.991 278 A HN 1.658 nan 8.150 nan 0.000 0.503 279 V N 1.470 121.441 119.914 0.096 0.000 4.349 279 V HA -0.300 3.820 4.120 0.000 0.000 0.247 279 V C 1.786 177.817 176.094 -0.105 0.000 0.442 279 V CA 1.551 63.870 62.300 0.032 0.000 0.865 279 V CB -2.488 29.397 31.823 0.103 0.000 0.887 279 V HN 2.918 nan 8.190 nan 0.000 1.302 280 G N -2.536 106.235 108.800 -0.048 0.000 2.199 280 G HA2 -0.341 3.619 3.960 0.000 0.000 0.254 280 G HA3 -0.341 3.619 3.960 0.000 0.000 0.254 280 G C -0.011 174.847 174.900 -0.069 0.000 0.982 280 G CA 0.343 45.390 45.100 -0.088 0.000 0.632 280 G HN 0.841 nan 8.290 nan 0.000 0.529 281 Y N 1.813 122.129 120.300 0.027 0.000 2.296 281 Y HA 0.382 4.933 4.550 0.001 0.000 0.343 281 Y C 1.438 177.340 175.900 0.005 0.000 1.292 281 Y CA -0.032 58.080 58.100 0.018 0.000 1.490 281 Y CB 0.393 38.877 38.460 0.039 0.000 1.359 281 Y HN 0.344 nan 8.280 nan 0.000 0.599 282 Q N 3.119 123.052 119.800 0.222 0.000 2.332 282 Q HA 0.095 4.435 4.340 0.000 0.000 0.263 282 Q C -2.476 173.572 176.000 0.080 0.000 0.979 282 Q CA -1.921 53.938 55.803 0.094 0.000 0.885 282 Q CB 1.013 29.773 28.738 0.036 0.000 1.218 282 Q HN 0.377 nan 8.270 nan 0.000 0.405 283 P HA -0.043 nan 4.420 nan 0.000 0.242 283 P C 0.731 178.053 177.300 0.037 0.000 1.197 283 P CA 0.877 64.007 63.100 0.050 0.000 0.765 283 P CB -0.024 31.700 31.700 0.040 0.000 0.936 284 T N -4.076 110.496 114.554 0.029 0.000 3.188 284 T HA 0.134 4.484 4.350 0.000 0.000 0.250 284 T C 1.541 176.257 174.700 0.028 0.000 1.077 284 T CA -0.298 61.817 62.100 0.026 0.000 0.967 284 T CB -0.952 67.927 68.868 0.018 0.000 1.006 284 T HN -0.052 nan 8.240 nan 0.000 0.552 285 L N 1.088 122.322 121.223 0.018 0.000 1.997 285 L HA -0.145 4.195 4.340 0.000 0.000 0.216 285 L C 2.823 179.720 176.870 0.045 0.000 1.074 285 L CA 2.137 56.973 54.840 -0.006 0.000 0.763 285 L CB -0.735 41.283 42.059 -0.068 0.000 0.890 285 L HN 0.417 nan 8.230 nan 0.000 0.434 286 A N -0.789 122.063 122.820 0.054 0.000 1.845 286 A HA -0.236 4.084 4.320 0.000 0.000 0.215 286 A C 2.375 180.026 177.584 0.112 0.000 1.195 286 A CA 2.535 54.625 52.037 0.087 0.000 0.616 286 A CB -1.348 17.691 19.000 0.065 0.000 0.832 286 A HN 0.631 nan 8.150 nan 0.000 0.443 287 T N -2.052 112.553 114.554 0.085 0.000 2.737 287 T HA -0.160 4.190 4.350 0.000 0.000 0.265 287 T C 1.422 176.181 174.700 0.099 0.000 1.038 287 T CA 1.566 63.715 62.100 0.083 0.000 1.144 287 T CB -0.672 68.230 68.868 0.058 0.000 0.866 287 T HN 0.335 nan 8.240 nan 0.000 0.434 288 D N 1.139 121.606 120.400 0.111 0.000 2.160 288 D HA -0.170 4.470 4.640 0.000 0.000 0.189 288 D C 1.978 178.434 176.300 0.261 0.000 1.003 288 D CA 1.664 55.776 54.000 0.187 0.000 0.846 288 D CB -0.537 40.354 40.800 0.153 0.000 0.949 288 D HN 0.410 nan 8.370 nan 0.000 0.446 289 M N 0.204 119.955 119.600 0.253 0.000 2.117 289 M HA -0.094 4.386 4.480 0.000 0.000 0.262 289 M C 2.085 178.343 176.300 -0.070 0.000 1.065 289 M CA 2.088 57.478 55.300 0.150 0.000 1.114 289 M CB -0.303 32.407 32.600 0.183 0.000 1.361 289 M HN 0.066 nan 8.290 nan 0.000 0.408 290 G N -0.221 108.612 108.800 0.055 0.000 2.446 290 G HA2 -0.285 3.676 3.960 0.000 0.000 0.217 290 G HA3 -0.285 3.676 3.960 0.000 0.000 0.217 290 G C 1.440 176.326 174.900 -0.025 0.000 1.168 290 G CA 1.667 46.800 45.100 0.056 0.000 0.771 290 G HN 0.611 nan 8.290 nan 0.000 0.551 291 T N -1.544 113.014 114.554 0.007 0.000 2.833 291 T HA -0.074 4.276 4.350 0.000 0.000 0.269 291 T C 2.224 176.886 174.700 -0.062 0.000 1.054 291 T CA 1.618 63.717 62.100 -0.001 0.000 1.135 291 T CB -0.163 68.729 68.868 0.039 0.000 0.869 291 T HN 0.147 nan 8.240 nan 0.000 0.466 292 M N 0.388 119.909 119.600 -0.132 0.000 2.160 292 M HA 0.020 4.500 4.480 0.000 0.000 0.264 292 M C 2.268 178.386 176.300 -0.304 0.000 1.073 292 M CA 1.428 56.569 55.300 -0.264 0.000 1.142 292 M CB -0.766 31.518 32.600 -0.526 0.000 1.358 292 M HN 0.157 nan 8.290 nan 0.000 0.422 293 Q N 0.735 120.309 119.800 -0.377 0.000 2.084 293 Q HA -0.140 4.200 4.340 0.000 0.000 0.202 293 Q C 1.775 177.627 176.000 -0.248 0.000 0.978 293 Q CA 1.342 56.890 55.803 -0.425 0.000 0.844 293 Q CB -0.517 27.703 28.738 -0.862 0.000 0.898 293 Q HN 0.547 nan 8.270 nan 0.000 0.426 294 E N 0.380 120.481 120.200 -0.165 0.000 2.333 294 E HA -0.147 4.203 4.350 0.000 0.000 0.198 294 E C 1.744 178.304 176.600 -0.067 0.000 1.007 294 E CA 0.559 56.922 56.400 -0.061 0.000 0.845 294 E CB -0.075 29.622 29.700 -0.004 0.000 0.766 294 E HN 0.319 nan 8.360 nan 0.000 0.507 295 R N 0.047 120.487 120.500 -0.099 0.000 2.240 295 R HA 0.158 4.498 4.340 0.000 0.000 0.203 295 R C 0.949 177.191 176.300 -0.096 0.000 1.011 295 R CA 0.207 56.255 56.100 -0.086 0.000 1.007 295 R CB 0.238 30.484 30.300 -0.090 0.000 0.911 295 R HN 0.082 nan 8.270 nan 0.000 0.468 296 I N 1.629 122.124 120.570 -0.125 0.000 2.206 296 I HA 0.087 4.257 4.170 0.000 0.000 0.292 296 I C -0.093 175.962 176.117 -0.104 0.000 1.156 296 I CA 0.104 61.327 61.300 -0.130 0.000 1.356 296 I CB 0.529 38.423 38.000 -0.176 0.000 1.494 296 I HN -0.102 nan 8.210 nan 0.000 0.601 297 T N 2.383 116.889 114.554 -0.080 0.000 2.932 297 T HA 0.256 4.606 4.350 0.000 0.000 0.318 297 T C -0.285 174.382 174.700 -0.055 0.000 1.265 297 T CA -0.273 61.789 62.100 -0.064 0.000 1.036 297 T CB 1.784 70.622 68.868 -0.050 0.000 1.209 297 T HN 0.247 nan 8.240 nan 0.000 0.484 298 T N 3.691 118.214 114.554 -0.052 0.000 2.901 298 T HA 0.532 4.882 4.350 0.000 0.000 0.301 298 T C 0.481 175.152 174.700 -0.048 0.000 1.012 298 T CA -0.005 62.068 62.100 -0.045 0.000 1.135 298 T CB 0.461 69.304 68.868 -0.042 0.000 0.936 298 T HN 0.861 nan 8.240 nan 0.000 0.539 299 T N 0.315 114.842 114.554 -0.045 0.000 2.888 299 T HA 0.475 4.825 4.350 0.000 0.000 0.288 299 T C 1.068 175.739 174.700 -0.050 0.000 1.063 299 T CA -1.096 60.972 62.100 -0.052 0.000 1.010 299 T CB 1.445 70.284 68.868 -0.048 0.000 1.214 299 T HN 0.383 nan 8.240 nan 0.000 0.533 300 K N -0.086 120.280 120.400 -0.056 0.000 2.281 300 K HA -0.048 4.272 4.320 0.000 0.000 0.203 300 K C 1.993 178.570 176.600 -0.038 0.000 1.046 300 K CA 1.064 57.322 56.287 -0.049 0.000 0.938 300 K CB -0.076 32.394 32.500 -0.051 0.000 0.737 300 K HN 0.502 nan 8.250 nan 0.000 0.458 301 K N -0.185 120.192 120.400 -0.037 0.000 2.400 301 K HA 0.013 4.333 4.320 0.000 0.000 0.194 301 K C 0.027 176.611 176.600 -0.027 0.000 1.033 301 K CA 0.382 56.649 56.287 -0.034 0.000 1.021 301 K CB 0.581 33.056 32.500 -0.040 0.000 0.808 301 K HN 0.222 nan 8.250 nan 0.000 0.505 302 G N -0.447 108.339 108.800 -0.023 0.000 2.376 302 G HA2 0.042 4.002 3.960 0.000 0.000 0.302 302 G HA3 0.042 4.002 3.960 0.000 0.000 0.302 302 G C -1.716 173.178 174.900 -0.010 0.000 1.586 302 G CA -0.754 44.340 45.100 -0.011 0.000 0.907 302 G HN -0.047 nan 8.290 nan 0.000 0.655 303 S N -0.120 115.579 115.700 -0.002 0.000 2.508 303 S HA 0.784 5.254 4.470 0.000 0.000 0.284 303 S C 0.013 174.609 174.600 -0.006 0.000 1.192 303 S CA -0.678 57.517 58.200 -0.008 0.000 1.070 303 S CB 0.482 63.681 63.200 -0.003 0.000 1.004 303 S HN 0.558 nan 8.310 nan 0.000 0.493 304 I N 3.924 124.474 120.570 -0.033 0.000 2.418 304 I HA 0.257 4.427 4.170 0.000 0.000 0.287 304 I C -0.332 175.722 176.117 -0.105 0.000 1.008 304 I CA -0.526 60.738 61.300 -0.060 0.000 1.104 304 I CB 2.248 40.209 38.000 -0.065 0.000 1.264 304 I HN 0.531 nan 8.210 nan 0.000 0.438 305 T N 4.236 118.699 114.554 -0.151 0.000 2.781 305 T HA 0.262 4.612 4.350 0.000 0.000 0.305 305 T C 0.102 174.612 174.700 -0.316 0.000 1.001 305 T CA -0.594 61.383 62.100 -0.204 0.000 0.950 305 T CB 0.475 69.221 68.868 -0.204 0.000 0.955 305 T HN 0.651 nan 8.240 nan 0.000 0.471 306 S N 2.282 117.806 115.700 -0.292 0.000 2.442 306 S HA 0.653 5.123 4.470 0.000 0.000 0.297 306 S C -0.351 174.018 174.600 -0.385 0.000 1.131 306 S CA -0.798 57.192 58.200 -0.350 0.000 1.092 306 S CB 1.234 64.278 63.200 -0.259 0.000 0.998 306 S HN 0.371 nan 8.310 nan 0.000 0.478 307 V N 4.083 123.718 119.914 -0.465 0.000 2.349 307 V HA 0.378 4.498 4.120 0.000 0.000 0.284 307 V C -0.515 175.444 176.094 -0.226 0.000 1.014 307 V CA -0.471 61.621 62.300 -0.346 0.000 0.826 307 V CB 0.956 32.610 31.823 -0.281 0.000 1.009 307 V HN 0.950 nan 8.190 nan 0.000 0.431 308 Q N 3.263 122.933 119.800 -0.217 0.000 2.322 308 Q HA 0.733 5.073 4.340 0.000 0.000 0.265 308 Q C -0.059 175.842 176.000 -0.166 0.000 0.985 308 Q CA -0.557 55.128 55.803 -0.196 0.000 0.849 308 Q CB 2.547 31.150 28.738 -0.224 0.000 1.274 308 Q HN 0.813 nan 8.270 nan 0.000 0.449 309 A N 3.836 126.595 122.820 -0.102 0.000 2.409 309 A HA 0.458 4.778 4.320 0.000 0.000 0.262 309 A C -0.326 177.202 177.584 -0.093 0.000 1.113 309 A CA -0.144 51.857 52.037 -0.060 0.000 0.790 309 A CB -0.019 19.001 19.000 0.033 0.000 1.046 309 A HN 0.751 nan 8.150 nan 0.000 0.496 310 I N 2.932 123.396 120.570 -0.176 0.000 2.448 310 I HA 0.181 4.351 4.170 0.000 0.000 0.281 310 I C -0.673 175.391 176.117 -0.088 0.000 1.027 310 I CA -0.377 60.790 61.300 -0.221 0.000 1.111 310 I CB 1.226 38.781 38.000 -0.741 0.000 1.236 310 I HN 0.768 nan 8.210 nan 0.000 0.452 311 Y N 6.850 127.104 120.300 -0.078 0.000 2.309 311 Y HA 0.473 5.023 4.550 0.000 0.000 0.327 311 Y C -0.410 175.227 175.900 -0.439 0.000 1.172 311 Y CA -0.341 57.639 58.100 -0.200 0.000 1.280 311 Y CB 1.100 39.473 38.460 -0.146 0.000 1.234 311 Y HN 0.259 nan 8.280 nan 0.000 0.512 312 V N 8.948 128.473 119.914 -0.648 0.000 2.311 312 V HA 0.286 4.406 4.120 0.000 0.000 0.275 312 V C -2.194 173.579 176.094 -0.536 0.000 1.022 312 V CA -2.006 60.039 62.300 -0.424 0.000 0.830 312 V CB 0.880 32.572 31.823 -0.218 0.000 1.012 312 V HN 0.683 nan 8.190 nan 0.000 0.452 313 P HA 0.239 nan 4.420 nan 0.000 0.276 313 P C 0.418 177.722 177.300 0.006 0.000 1.235 313 P CA 0.564 63.691 63.100 0.046 0.000 0.772 313 P CB 1.346 33.139 31.700 0.155 0.000 0.871 314 A N 3.619 126.449 122.820 0.018 0.000 2.847 314 A HA -0.233 4.087 4.320 0.000 0.000 0.263 314 A C 0.833 178.402 177.584 -0.024 0.000 1.391 314 A CA 1.204 53.248 52.037 0.013 0.000 0.866 314 A CB -2.753 16.272 19.000 0.042 0.000 1.057 314 A HN 0.548 nan 8.150 nan 0.000 0.673 315 D N -1.802 118.549 120.400 -0.082 0.000 3.077 315 D HA -0.185 4.455 4.640 0.000 0.000 0.217 315 D C -0.187 176.092 176.300 -0.034 0.000 1.162 315 D CA 2.141 56.095 54.000 -0.076 0.000 0.943 315 D CB -1.131 39.636 40.800 -0.054 0.000 1.122 315 D HN 0.950 nan 8.370 nan 0.000 0.413 316 D N 0.122 120.515 120.400 -0.011 0.000 2.411 316 D HA 0.233 4.873 4.640 0.000 0.000 0.225 316 D C 1.231 177.561 176.300 0.050 0.000 1.156 316 D CA -0.298 53.717 54.000 0.024 0.000 0.874 316 D CB 0.215 41.042 40.800 0.046 0.000 1.034 316 D HN 0.131 nan 8.370 nan 0.000 0.502 317 L N 2.723 123.977 121.223 0.053 0.000 2.610 317 L HA 0.024 4.364 4.340 0.000 0.000 0.232 317 L C 2.149 179.098 176.870 0.131 0.000 1.149 317 L CA 0.774 55.680 54.840 0.110 0.000 0.872 317 L CB -0.295 41.819 42.059 0.092 0.000 0.992 317 L HN 0.459 nan 8.230 nan 0.000 0.447 318 T N -4.988 109.618 114.554 0.086 0.000 3.086 318 T HA -0.020 4.330 4.350 0.000 0.000 0.250 318 T C 0.716 175.486 174.700 0.117 0.000 1.074 318 T CA -0.461 61.689 62.100 0.084 0.000 0.988 318 T CB -0.195 68.699 68.868 0.044 0.000 0.988 318 T HN 0.177 nan 8.240 nan 0.000 0.530 319 D N 2.503 122.988 120.400 0.143 0.000 2.458 319 D HA 0.072 4.712 4.640 0.000 0.000 0.243 319 D C -1.394 175.014 176.300 0.180 0.000 1.146 319 D CA -1.638 52.481 54.000 0.199 0.000 0.877 319 D CB 1.710 42.651 40.800 0.235 0.000 1.176 319 D HN 0.007 nan 8.370 nan 0.000 0.461 320 P HA -0.235 nan 4.420 nan 0.000 0.218 320 P C 0.863 178.116 177.300 -0.078 0.000 1.152 320 P CA 1.920 65.022 63.100 0.002 0.000 0.857 320 P CB 0.113 31.755 31.700 -0.097 0.000 0.787 321 A N 0.020 122.776 122.820 -0.105 0.000 1.828 321 A HA -0.122 4.198 4.320 0.000 0.000 0.215 321 A C -0.009 177.669 177.584 0.157 0.000 1.203 321 A CA 2.396 54.450 52.037 0.027 0.000 0.614 321 A CB -2.215 16.999 19.000 0.355 0.000 0.844 321 A HN 0.219 nan 8.150 nan 0.000 0.445 322 P HA -0.082 nan 4.420 nan 0.000 0.217 322 P C 1.599 179.054 177.300 0.259 0.000 1.151 322 P CA 1.934 65.179 63.100 0.241 0.000 0.828 322 P CB -0.224 31.648 31.700 0.286 0.000 0.788 323 A N 0.052 123.040 122.820 0.279 0.000 1.908 323 A HA -0.170 4.150 4.320 0.000 0.000 0.218 323 A C 2.305 180.079 177.584 0.318 0.000 1.181 323 A CA 2.573 54.824 52.037 0.358 0.000 0.627 323 A CB -1.994 17.127 19.000 0.202 0.000 0.818 323 A HN 0.206 nan 8.150 nan 0.000 0.445 324 T N -0.389 114.279 114.554 0.190 0.000 2.995 324 T HA -0.062 4.288 4.350 0.000 0.000 0.269 324 T C 1.851 176.660 174.700 0.182 0.000 1.091 324 T CA 1.651 63.839 62.100 0.147 0.000 1.128 324 T CB -0.360 68.570 68.868 0.103 0.000 0.891 324 T HN 0.573 nan 8.240 nan 0.000 0.492 325 T N 1.633 116.309 114.554 0.202 0.000 2.821 325 T HA 0.027 4.377 4.350 0.000 0.000 0.267 325 T C 1.516 176.338 174.700 0.204 0.000 1.046 325 T CA 0.735 62.954 62.100 0.198 0.000 1.139 325 T CB -0.515 68.377 68.868 0.040 0.000 0.871 325 T HN 0.351 nan 8.240 nan 0.000 0.454 326 F N 1.893 122.011 119.950 0.281 0.000 2.147 326 F HA -0.171 4.356 4.527 -0.000 0.000 0.301 326 F C 2.540 178.391 175.800 0.085 0.000 1.084 326 F CA 1.092 59.221 58.000 0.216 0.000 1.268 326 F CB -0.382 38.652 39.000 0.056 0.000 1.009 326 F HN 0.150 nan 8.300 nan 0.000 0.486 327 A N -1.915 120.994 122.820 0.148 0.000 2.235 327 A HA -0.062 4.258 4.320 0.000 0.000 0.208 327 A C 1.326 178.836 177.584 -0.123 0.000 1.172 327 A CA 0.635 52.658 52.037 -0.022 0.000 0.786 327 A CB -0.804 18.129 19.000 -0.111 0.000 0.804 327 A HN 0.416 nan 8.150 nan 0.000 0.479 328 H N -0.899 118.224 119.070 0.089 0.000 2.551 328 H HA 0.349 4.905 4.556 -0.000 0.000 0.271 328 H C -0.206 175.133 175.328 0.018 0.000 0.984 328 H CA 0.178 56.246 56.048 0.034 0.000 1.164 328 H CB 0.163 29.923 29.762 -0.002 0.000 1.437 328 H HN 0.344 nan 8.280 nan 0.000 0.550 329 L N 0.305 121.614 121.223 0.143 0.000 2.334 329 L HA 0.239 4.579 4.340 0.000 0.000 0.273 329 L C 0.853 177.774 176.870 0.084 0.000 1.013 329 L CA -0.595 54.303 54.840 0.097 0.000 0.816 329 L CB 1.970 44.103 42.059 0.122 0.000 1.278 329 L HN -0.127 nan 8.230 nan 0.000 0.431 330 D N 1.080 121.510 120.400 0.049 0.000 2.327 330 D HA 0.180 4.820 4.640 0.000 0.000 0.205 330 D C 0.253 176.601 176.300 0.080 0.000 0.989 330 D CA 0.587 54.618 54.000 0.052 0.000 0.873 330 D CB 0.948 41.764 40.800 0.027 0.000 0.955 330 D HN 0.517 nan 8.370 nan 0.000 0.515 331 A N 0.619 123.493 122.820 0.089 0.000 2.427 331 A HA 0.548 4.868 4.320 0.000 0.000 0.298 331 A C -0.282 177.407 177.584 0.176 0.000 1.036 331 A CA -0.644 51.486 52.037 0.154 0.000 0.701 331 A CB 1.456 20.606 19.000 0.251 0.000 1.250 331 A HN -0.016 nan 8.150 nan 0.000 0.412 332 T N -0.808 113.886 114.554 0.235 0.000 2.888 332 T HA 0.771 5.121 4.350 0.000 0.000 0.284 332 T C -0.377 174.502 174.700 0.298 0.000 1.017 332 T CA -0.581 61.705 62.100 0.309 0.000 1.022 332 T CB 1.594 70.696 68.868 0.390 0.000 1.013 332 T HN 0.513 nan 8.240 nan 0.000 0.465 333 T N 2.259 117.014 114.554 0.334 0.000 3.009 333 T HA 0.401 4.751 4.350 0.000 0.000 0.346 333 T C -0.405 174.469 174.700 0.291 0.000 1.092 333 T CA -0.531 61.738 62.100 0.282 0.000 1.080 333 T CB 0.658 69.711 68.868 0.309 0.000 1.037 333 T HN 0.618 nan 8.240 nan 0.000 0.487 334 V N 5.375 125.420 119.914 0.218 0.000 2.385 334 V HA 0.361 4.481 4.120 0.000 0.000 0.269 334 V C 0.290 176.457 176.094 0.121 0.000 1.043 334 V CA -0.618 61.789 62.300 0.178 0.000 0.906 334 V CB 0.547 32.407 31.823 0.063 0.000 0.995 334 V HN 0.716 nan 8.190 nan 0.000 0.467 335 L N 4.071 125.371 121.223 0.127 0.000 2.399 335 L HA 0.550 4.890 4.340 0.000 0.000 0.266 335 L C 0.462 177.351 176.870 0.032 0.000 1.114 335 L CA 0.168 55.054 54.840 0.076 0.000 0.804 335 L CB 1.567 43.679 42.059 0.089 0.000 1.146 335 L HN 0.651 nan 8.230 nan 0.000 0.451 336 S N 1.733 117.431 115.700 -0.004 0.000 2.707 336 S HA 0.303 4.773 4.470 0.000 0.000 0.303 336 S C 0.718 175.291 174.600 -0.047 0.000 1.132 336 S CA -0.789 57.395 58.200 -0.026 0.000 1.046 336 S CB 1.267 64.449 63.200 -0.031 0.000 1.004 336 S HN 0.721 nan 8.310 nan 0.000 0.483 337 R N 3.817 124.293 120.500 -0.040 0.000 2.115 337 R HA -0.193 4.147 4.340 0.000 0.000 0.239 337 R C 2.187 178.456 176.300 -0.052 0.000 1.133 337 R CA 2.360 58.435 56.100 -0.041 0.000 0.935 337 R CB -0.874 29.407 30.300 -0.032 0.000 0.853 337 R HN 0.819 nan 8.270 nan 0.000 0.433 338 A N 0.869 123.661 122.820 -0.046 0.000 1.958 338 A HA -0.204 4.116 4.320 0.000 0.000 0.221 338 A C 2.206 179.753 177.584 -0.062 0.000 1.178 338 A CA 1.873 53.883 52.037 -0.046 0.000 0.642 338 A CB -0.596 18.379 19.000 -0.041 0.000 0.816 338 A HN 0.453 nan 8.150 nan 0.000 0.453 339 I N -0.759 119.764 120.570 -0.079 0.000 2.286 339 I HA -0.216 3.954 4.170 0.000 0.000 0.245 339 I C 2.968 178.966 176.117 -0.199 0.000 1.104 339 I CA 0.957 62.195 61.300 -0.103 0.000 1.397 339 I CB -0.452 37.496 38.000 -0.087 0.000 1.072 339 I HN 0.369 nan 8.210 nan 0.000 0.417 340 A N 0.500 123.163 122.820 -0.262 0.000 1.933 340 A HA -0.211 4.109 4.320 0.000 0.000 0.218 340 A C 2.127 179.556 177.584 -0.259 0.000 1.175 340 A CA 1.549 53.294 52.037 -0.485 0.000 0.628 340 A CB -0.537 18.289 19.000 -0.289 0.000 0.814 340 A HN 0.448 nan 8.150 nan 0.000 0.444 341 E N -0.518 119.618 120.200 -0.106 0.000 2.347 341 E HA 0.018 4.368 4.350 0.000 0.000 0.196 341 E C 1.284 177.868 176.600 -0.026 0.000 1.008 341 E CA 0.305 56.688 56.400 -0.030 0.000 0.852 341 E CB -0.111 29.578 29.700 -0.017 0.000 0.783 341 E HN 0.614 nan 8.360 nan 0.000 0.505 342 L N -0.649 120.540 121.223 -0.057 0.000 2.591 342 L HA 0.135 4.475 4.340 0.000 0.000 0.228 342 L C 1.462 178.319 176.870 -0.022 0.000 1.133 342 L CA 0.431 55.249 54.840 -0.037 0.000 0.880 342 L CB 0.223 42.263 42.059 -0.031 0.000 1.033 342 L HN 0.290 nan 8.230 nan 0.000 0.450 343 G N 0.214 109.003 108.800 -0.018 0.000 2.194 343 G HA2 -0.227 3.733 3.960 0.000 0.000 0.236 343 G HA3 -0.227 3.733 3.960 0.000 0.000 0.236 343 G C 0.354 175.375 174.900 0.202 0.000 0.987 343 G CA -0.358 44.833 45.100 0.150 0.000 0.635 343 G HN 0.134 nan 8.290 nan 0.000 0.520 344 I N 1.374 121.937 120.570 -0.012 0.000 2.494 344 I HA 0.391 4.561 4.170 0.000 0.000 0.289 344 I C 0.032 175.958 176.117 -0.319 0.000 1.106 344 I CA -0.166 61.125 61.300 -0.015 0.000 1.369 344 I CB -0.929 37.066 38.000 -0.009 0.000 1.410 344 I HN 0.105 nan 8.210 nan 0.000 0.523 345 Y N 7.037 127.306 120.300 -0.051 0.000 2.425 345 Y HA 0.404 4.954 4.550 -0.000 0.000 0.344 345 Y C -2.094 173.619 175.900 -0.312 0.000 0.969 345 Y CA -2.358 55.642 58.100 -0.165 0.000 1.052 345 Y CB 2.333 40.677 38.460 -0.193 0.000 1.215 345 Y HN 0.431 nan 8.280 nan 0.000 0.451 346 P HA 0.058 nan 4.420 nan 0.000 0.271 346 P C -0.412 176.887 177.300 -0.000 0.000 1.218 346 P CA -0.128 62.983 63.100 0.019 0.000 0.780 346 P CB 1.059 32.856 31.700 0.162 0.000 0.901 347 A N 3.533 126.340 122.820 -0.023 0.000 2.810 347 A HA 0.184 4.504 4.320 0.000 0.000 0.247 347 A C 0.525 178.091 177.584 -0.028 0.000 1.576 347 A CA -0.272 51.688 52.037 -0.129 0.000 1.294 347 A CB -1.266 17.616 19.000 -0.197 0.000 0.976 347 A HN 0.378 nan 8.150 nan 0.000 0.631 348 V N 1.288 121.209 119.914 0.011 0.000 2.521 348 V HA 0.009 4.130 4.120 0.000 0.000 0.286 348 V C 0.519 176.620 176.094 0.012 0.000 1.034 348 V CA -0.372 61.950 62.300 0.038 0.000 1.045 348 V CB 0.865 32.721 31.823 0.055 0.000 0.974 348 V HN 0.577 nan 8.190 nan 0.000 0.480 349 D N 7.553 127.964 120.400 0.017 0.000 2.338 349 D HA 0.171 4.811 4.640 0.000 0.000 0.255 349 D C -1.615 174.684 176.300 -0.002 0.000 1.237 349 D CA -1.734 52.266 54.000 0.001 0.000 0.883 349 D CB 2.027 42.825 40.800 -0.005 0.000 1.087 349 D HN 0.275 nan 8.370 nan 0.000 0.485 350 P HA 0.039 nan 4.420 nan 0.000 0.231 350 P C 0.850 178.128 177.300 -0.036 0.000 1.168 350 P CA 0.553 63.634 63.100 -0.031 0.000 0.779 350 P CB 0.298 31.973 31.700 -0.042 0.000 0.844 351 L N -1.039 120.165 121.223 -0.033 0.000 2.928 351 L HA 0.322 4.662 4.340 0.000 0.000 0.246 351 L C 0.913 177.754 176.870 -0.048 0.000 1.239 351 L CA 0.293 55.108 54.840 -0.042 0.000 1.035 351 L CB -0.008 42.026 42.059 -0.042 0.000 1.360 351 L HN -0.151 nan 8.230 nan 0.000 0.529 352 D N -1.351 119.027 120.400 -0.038 0.000 2.410 352 D HA 0.077 4.717 4.640 0.000 0.000 0.275 352 D C 0.255 176.546 176.300 -0.015 0.000 1.152 352 D CA 0.249 54.219 54.000 -0.050 0.000 0.825 352 D CB 0.884 41.651 40.800 -0.055 0.000 1.312 352 D HN -0.020 nan 8.370 nan 0.000 0.532 353 S N 0.299 116.009 115.700 0.017 0.000 2.537 353 S HA 0.615 5.085 4.470 0.000 0.000 0.275 353 S C 0.266 174.892 174.600 0.042 0.000 1.272 353 S CA -0.392 57.846 58.200 0.063 0.000 1.050 353 S CB 1.635 64.882 63.200 0.079 0.000 0.961 353 S HN 0.272 nan 8.310 nan 0.000 0.496 354 T N -0.978 113.620 114.554 0.073 0.000 2.865 354 T HA 0.816 5.166 4.350 0.000 0.000 0.294 354 T C -0.618 174.134 174.700 0.086 0.000 1.119 354 T CA -0.915 61.217 62.100 0.052 0.000 1.007 354 T CB 1.833 70.719 68.868 0.031 0.000 1.225 354 T HN 0.491 nan 8.240 nan 0.000 0.515 355 S N -1.149 114.590 115.700 0.066 0.000 2.533 355 S HA 0.415 4.885 4.470 0.000 0.000 0.271 355 S C 0.160 174.795 174.600 0.059 0.000 1.143 355 S CA -0.856 57.392 58.200 0.080 0.000 0.891 355 S CB 1.701 64.950 63.200 0.081 0.000 1.105 355 S HN 0.756 nan 8.310 nan 0.000 0.468 356 R N 2.062 122.598 120.500 0.061 0.000 2.299 356 R HA 0.193 4.533 4.340 0.000 0.000 0.197 356 R C 1.430 177.753 176.300 0.038 0.000 0.971 356 R CA 1.141 57.270 56.100 0.047 0.000 1.030 356 R CB -0.384 29.943 30.300 0.045 0.000 0.932 356 R HN 0.778 nan 8.270 nan 0.000 0.477 357 I N -2.903 117.689 120.570 0.038 0.000 3.928 357 I HA 0.230 4.400 4.170 0.000 0.000 0.335 357 I C 0.440 176.564 176.117 0.011 0.000 1.325 357 I CA -0.365 60.948 61.300 0.023 0.000 1.107 357 I CB 0.283 38.296 38.000 0.023 0.000 1.014 357 I HN -0.109 nan 8.210 nan 0.000 0.400 358 M N 3.256 122.873 119.600 0.028 0.000 3.042 358 M HA 0.302 4.782 4.480 0.000 0.000 0.283 358 M C -0.934 175.479 176.300 0.188 0.000 1.473 358 M CA -0.176 55.157 55.300 0.055 0.000 1.583 358 M CB -1.369 31.243 32.600 0.019 0.000 1.221 358 M HN 0.348 nan 8.290 nan 0.000 0.518 359 D N 4.644 125.127 120.400 0.140 0.000 2.977 359 D HA 0.360 5.000 4.640 0.000 0.000 0.220 359 D C -2.498 173.738 176.300 -0.106 0.000 1.267 359 D CA -1.332 52.665 54.000 -0.005 0.000 0.884 359 D CB 2.260 43.046 40.800 -0.025 0.000 1.667 359 D HN 0.156 nan 8.370 nan 0.000 0.536 360 P HA -0.091 nan 4.420 nan 0.000 0.219 360 P C 0.580 177.811 177.300 -0.115 0.000 1.146 360 P CA 0.762 63.699 63.100 -0.272 0.000 0.808 360 P CB 0.440 31.869 31.700 -0.451 0.000 0.779 361 N N -0.772 117.862 118.700 -0.110 0.000 2.467 361 N HA 0.083 4.823 4.740 0.000 0.000 0.184 361 N C 1.684 177.177 175.510 -0.028 0.000 1.106 361 N CA 0.523 53.538 53.050 -0.058 0.000 0.892 361 N CB 0.090 38.542 38.487 -0.059 0.000 0.969 361 N HN 0.326 nan 8.380 nan 0.000 0.454 362 I N -0.489 120.067 120.570 -0.024 0.000 3.443 362 I HA -0.035 4.135 4.170 0.000 0.000 0.277 362 I C 1.716 177.840 176.117 0.011 0.000 1.169 362 I CA 0.319 61.617 61.300 -0.004 0.000 1.419 362 I CB 0.253 38.251 38.000 -0.005 0.000 1.331 362 I HN -0.119 nan 8.210 nan 0.000 0.458 363 V N -1.277 118.639 119.914 0.004 0.000 3.621 363 V HA 0.589 4.709 4.120 0.000 0.000 0.285 363 V C 0.788 176.945 176.094 0.104 0.000 1.346 363 V CA 0.125 62.442 62.300 0.027 0.000 1.104 363 V CB -0.830 30.892 31.823 -0.170 0.000 0.913 363 V HN 0.453 nan 8.190 nan 0.000 0.432 364 G N 1.173 110.015 108.800 0.069 0.000 2.721 364 G HA2 -0.132 3.828 3.960 0.000 0.000 0.686 364 G HA3 -0.132 3.828 3.960 0.000 0.000 0.686 364 G C 0.472 175.440 174.900 0.113 0.000 1.236 364 G CA 0.331 45.480 45.100 0.082 0.000 0.786 364 G HN 1.383 nan 8.290 nan 0.000 0.616 365 S N 0.089 115.837 115.700 0.080 0.000 2.399 365 S HA -0.128 4.342 4.470 0.000 0.000 0.231 365 S C 1.767 176.465 174.600 0.163 0.000 1.022 365 S CA 1.956 60.216 58.200 0.100 0.000 0.983 365 S CB -0.138 63.093 63.200 0.052 0.000 0.803 365 S HN 0.925 nan 8.310 nan 0.000 0.480 366 E N 0.934 121.219 120.200 0.142 0.000 2.017 366 E HA -0.261 4.090 4.350 0.000 0.000 0.193 366 E C 2.059 178.776 176.600 0.195 0.000 0.997 366 E CA 1.356 57.840 56.400 0.140 0.000 0.804 366 E CB -0.424 29.337 29.700 0.103 0.000 0.757 366 E HN 0.838 nan 8.360 nan 0.000 0.448 367 H N -1.441 117.687 119.070 0.096 0.000 2.289 367 H HA -0.257 4.299 4.556 0.000 0.000 0.294 367 H C 2.160 177.544 175.328 0.093 0.000 1.095 367 H CA 1.913 58.013 56.048 0.087 0.000 1.256 367 H CB -0.158 29.654 29.762 0.084 0.000 1.359 367 H HN 0.300 nan 8.280 nan 0.000 0.487 368 Y N 1.442 121.821 120.300 0.132 0.000 2.145 368 Y HA -0.254 4.296 4.550 0.000 0.000 0.286 368 Y C 2.203 178.135 175.900 0.053 0.000 1.145 368 Y CA 1.894 60.013 58.100 0.031 0.000 1.148 368 Y CB -0.227 38.230 38.460 -0.006 0.000 0.981 368 Y HN 0.333 nan 8.280 nan 0.000 0.507 369 D N -0.612 119.919 120.400 0.218 0.000 2.117 369 D HA -0.184 4.456 4.640 0.000 0.000 0.197 369 D C 2.388 178.714 176.300 0.042 0.000 0.987 369 D CA 1.661 55.736 54.000 0.124 0.000 0.829 369 D CB -0.427 40.456 40.800 0.139 0.000 0.961 369 D HN 0.312 nan 8.370 nan 0.000 0.460 370 V N 1.593 121.550 119.914 0.072 0.000 2.295 370 V HA -0.238 3.882 4.120 0.000 0.000 0.246 370 V C 2.571 178.668 176.094 0.006 0.000 1.049 370 V CA 1.781 64.119 62.300 0.063 0.000 1.024 370 V CB -0.777 31.108 31.823 0.103 0.000 0.648 370 V HN 0.169 nan 8.190 nan 0.000 0.447 371 A N 0.031 122.842 122.820 -0.016 0.000 1.873 371 A HA -0.247 4.074 4.320 0.000 0.000 0.218 371 A C 2.309 179.796 177.584 -0.162 0.000 1.193 371 A CA 1.880 53.857 52.037 -0.100 0.000 0.629 371 A CB -0.532 18.405 19.000 -0.104 0.000 0.826 371 A HN 0.401 nan 8.150 nan 0.000 0.447 372 R N -0.499 119.858 120.500 -0.238 0.000 2.096 372 R HA -0.095 4.245 4.340 0.000 0.000 0.235 372 R C 2.353 178.593 176.300 -0.100 0.000 1.127 372 R CA 1.267 57.236 56.100 -0.218 0.000 0.968 372 R CB -1.780 28.342 30.300 -0.297 0.000 0.861 372 R HN 0.555 nan 8.270 nan 0.000 0.440 373 G N 0.343 109.108 108.800 -0.059 0.000 2.446 373 G HA2 -0.213 3.747 3.960 0.000 0.000 0.217 373 G HA3 -0.213 3.747 3.960 0.000 0.000 0.217 373 G C 1.601 176.493 174.900 -0.014 0.000 1.168 373 G CA 0.912 46.002 45.100 -0.017 0.000 0.771 373 G HN 0.187 nan 8.290 nan 0.000 0.551 374 V N 0.692 120.590 119.914 -0.027 0.000 2.287 374 V HA -0.265 3.855 4.120 0.000 0.000 0.248 374 V C 2.919 178.986 176.094 -0.045 0.000 1.053 374 V CA 2.380 64.658 62.300 -0.036 0.000 1.027 374 V CB -0.602 31.137 31.823 -0.140 0.000 0.646 374 V HN 0.466 nan 8.190 nan 0.000 0.447 375 Q N -0.624 119.134 119.800 -0.071 0.000 2.230 375 Q HA -0.180 4.160 4.340 0.000 0.000 0.202 375 Q C 2.335 178.317 176.000 -0.031 0.000 0.963 375 Q CA 1.073 56.841 55.803 -0.058 0.000 0.866 375 Q CB -0.154 28.534 28.738 -0.083 0.000 0.931 375 Q HN 0.556 nan 8.270 nan 0.000 0.452 376 K N 1.289 121.672 120.400 -0.028 0.000 2.001 376 K HA -0.122 4.198 4.320 0.000 0.000 0.208 376 K C 1.980 178.588 176.600 0.013 0.000 1.048 376 K CA 0.938 57.219 56.287 -0.010 0.000 0.932 376 K CB -0.127 32.368 32.500 -0.009 0.000 0.715 376 K HN 0.182 nan 8.250 nan 0.000 0.437 377 I N 1.299 121.881 120.570 0.019 0.000 2.361 377 I HA -0.260 3.910 4.170 0.000 0.000 0.251 377 I C 1.950 178.115 176.117 0.080 0.000 1.133 377 I CA 0.823 62.145 61.300 0.038 0.000 1.413 377 I CB 0.132 38.145 38.000 0.021 0.000 1.073 377 I HN 0.228 nan 8.210 nan 0.000 0.424 378 L N -0.193 121.073 121.223 0.072 0.000 2.156 378 L HA -0.197 4.143 4.340 0.000 0.000 0.208 378 L C 2.473 179.401 176.870 0.097 0.000 1.095 378 L CA 0.900 55.812 54.840 0.120 0.000 0.770 378 L CB -0.446 41.653 42.059 0.068 0.000 0.914 378 L HN 0.299 nan 8.230 nan 0.000 0.439 379 Q N 0.222 120.047 119.800 0.043 0.000 2.062 379 Q HA -0.172 4.168 4.340 0.000 0.000 0.196 379 Q C 1.744 177.756 176.000 0.021 0.000 0.967 379 Q CA 1.545 57.354 55.803 0.011 0.000 0.832 379 Q CB -0.044 28.690 28.738 -0.008 0.000 0.899 379 Q HN 0.315 nan 8.270 nan 0.000 0.442 380 D N -0.673 119.753 120.400 0.044 0.000 2.133 380 D HA -0.195 4.446 4.640 0.000 0.000 0.195 380 D C 1.598 177.957 176.300 0.097 0.000 0.997 380 D CA 1.277 55.309 54.000 0.054 0.000 0.840 380 D CB -0.361 40.471 40.800 0.053 0.000 0.947 380 D HN 0.351 nan 8.370 nan 0.000 0.452 381 Y N 1.757 122.050 120.300 -0.011 0.000 2.200 381 Y HA -0.142 4.408 4.550 0.000 0.000 0.290 381 Y C 2.189 178.082 175.900 -0.011 0.000 1.137 381 Y CA 1.456 59.551 58.100 -0.009 0.000 1.163 381 Y CB -0.225 38.231 38.460 -0.008 0.000 0.988 381 Y HN -0.177 nan 8.280 nan 0.000 0.518 382 K N -0.590 119.701 120.400 -0.183 0.000 2.147 382 K HA -0.121 4.199 4.320 0.000 0.000 0.205 382 K C 2.251 178.749 176.600 -0.169 0.000 1.049 382 K CA 1.407 57.534 56.287 -0.267 0.000 0.936 382 K CB -0.198 32.213 32.500 -0.148 0.000 0.722 382 K HN 0.242 nan 8.250 nan 0.000 0.446 383 S N 0.738 116.386 115.700 -0.086 0.000 2.402 383 S HA -0.003 4.467 4.470 0.000 0.000 0.229 383 S C 1.495 176.065 174.600 -0.050 0.000 1.021 383 S CA 0.764 58.931 58.200 -0.055 0.000 0.974 383 S CB -0.022 63.164 63.200 -0.024 0.000 0.800 383 S HN 0.280 nan 8.310 nan 0.000 0.484 384 L N 0.999 122.197 121.223 -0.041 0.000 2.554 384 L HA 0.097 4.438 4.340 0.000 0.000 0.226 384 L C 2.235 179.079 176.870 -0.043 0.000 1.137 384 L CA 0.406 55.240 54.840 -0.009 0.000 0.863 384 L CB -0.248 41.850 42.059 0.066 0.000 0.985 384 L HN 0.306 nan 8.230 nan 0.000 0.451 385 Q N -0.211 119.511 119.800 -0.130 0.000 2.311 385 Q HA -0.154 4.186 4.340 0.000 0.000 0.203 385 Q C 1.146 177.098 176.000 -0.081 0.000 0.954 385 Q CA 0.976 56.689 55.803 -0.150 0.000 0.885 385 Q CB 0.199 28.769 28.738 -0.280 0.000 0.963 385 Q HN 0.469 nan 8.270 nan 0.000 0.471 386 D N 0.504 120.866 120.400 -0.064 0.000 2.137 386 D HA -0.075 4.565 4.640 0.000 0.000 0.202 386 D C 1.676 177.962 176.300 -0.024 0.000 0.970 386 D CA 0.814 54.789 54.000 -0.041 0.000 0.837 386 D CB 0.028 40.805 40.800 -0.038 0.000 0.981 386 D HN 0.199 nan 8.370 nan 0.000 0.475 387 I N 0.387 120.947 120.570 -0.017 0.000 2.264 387 I HA -0.216 3.954 4.170 0.000 0.000 0.248 387 I C 2.108 178.226 176.117 0.002 0.000 1.111 387 I CA 0.799 62.096 61.300 -0.005 0.000 1.382 387 I CB -0.309 37.692 38.000 0.002 0.000 1.060 387 I HN -0.001 nan 8.210 nan 0.000 0.418 388 I N 1.176 121.748 120.570 0.004 0.000 2.226 388 I HA -0.245 3.925 4.170 0.000 0.000 0.245 388 I C 2.745 178.866 176.117 0.006 0.000 1.100 388 I CA 1.381 62.690 61.300 0.016 0.000 1.374 388 I CB -0.347 37.672 38.000 0.032 0.000 1.057 388 I HN 0.179 nan 8.210 nan 0.000 0.413 389 A N 0.243 123.059 122.820 -0.007 0.000 2.066 389 A HA -0.049 4.271 4.320 0.000 0.000 0.218 389 A C 2.185 179.766 177.584 -0.005 0.000 1.157 389 A CA 1.047 53.079 52.037 -0.009 0.000 0.670 389 A CB -0.302 18.686 19.000 -0.020 0.000 0.804 389 A HN 0.314 nan 8.150 nan 0.000 0.453 390 I N -1.294 119.273 120.570 -0.004 0.000 2.685 390 I HA 0.060 4.230 4.170 0.000 0.000 0.251 390 I C 1.944 178.061 176.117 0.001 0.000 1.102 390 I CA 0.962 62.261 61.300 -0.002 0.000 1.442 390 I CB -0.604 37.394 38.000 -0.004 0.000 1.194 390 I HN 0.238 nan 8.210 nan 0.000 0.448 391 L N -0.085 121.140 121.223 0.004 0.000 2.638 391 L HA 0.328 4.668 4.340 0.000 0.000 0.232 391 L C 1.012 177.888 176.870 0.010 0.000 1.099 391 L CA 0.270 55.114 54.840 0.006 0.000 0.883 391 L CB 0.050 42.112 42.059 0.006 0.000 1.136 391 L HN 0.389 nan 8.230 nan 0.000 0.492 392 G N -0.141 108.667 108.800 0.013 0.000 2.855 392 G HA2 -0.299 3.661 3.960 0.000 0.000 0.352 392 G HA3 -0.299 3.661 3.960 0.000 0.000 0.352 392 G C 0.546 175.460 174.900 0.024 0.000 1.415 392 G CA -0.168 44.944 45.100 0.019 0.000 0.871 392 G HN -0.130 nan 8.290 nan 0.000 0.543 393 M N -0.093 119.525 119.600 0.029 0.000 2.204 393 M HA -0.171 4.309 4.480 0.000 0.000 0.255 393 M C 2.152 178.466 176.300 0.023 0.000 1.073 393 M CA 2.916 58.234 55.300 0.031 0.000 1.084 393 M CB -1.535 31.080 32.600 0.026 0.000 1.289 393 M HN 0.711 nan 8.290 nan 0.000 0.419 394 D N -0.021 120.390 120.400 0.018 0.000 2.172 394 D HA -0.167 4.473 4.640 0.000 0.000 0.196 394 D C 1.795 178.103 176.300 0.013 0.000 0.999 394 D CA 1.089 55.097 54.000 0.014 0.000 0.856 394 D CB -0.241 40.566 40.800 0.011 0.000 0.934 394 D HN 0.403 nan 8.370 nan 0.000 0.453 395 E N -0.067 120.141 120.200 0.014 0.000 2.482 395 E HA 0.037 4.387 4.350 0.000 0.000 0.196 395 E C 0.663 177.271 176.600 0.014 0.000 1.047 395 E CA -0.043 56.364 56.400 0.012 0.000 0.869 395 E CB 0.132 29.838 29.700 0.010 0.000 0.836 395 E HN 0.384 nan 8.360 nan 0.000 0.520 396 L N 1.888 123.122 121.223 0.018 0.000 2.371 396 L HA 0.072 4.412 4.340 0.000 0.000 0.272 396 L C 1.008 177.887 176.870 0.015 0.000 1.124 396 L CA -0.466 54.386 54.840 0.019 0.000 0.816 396 L CB 0.765 42.840 42.059 0.027 0.000 1.129 396 L HN -0.030 nan 8.230 nan 0.000 0.448 397 S N 0.643 116.351 115.700 0.014 0.000 2.563 397 S HA -0.090 4.380 4.470 0.000 0.000 0.269 397 S C 0.928 175.535 174.600 0.012 0.000 1.364 397 S CA -0.262 57.945 58.200 0.012 0.000 1.010 397 S CB 0.808 64.015 63.200 0.011 0.000 0.877 397 S HN 0.719 nan 8.310 nan 0.000 0.549 398 E N 0.569 120.774 120.200 0.009 0.000 2.160 398 E HA -0.183 4.167 4.350 0.000 0.000 0.195 398 E C 1.880 178.484 176.600 0.008 0.000 0.991 398 E CA 1.843 58.248 56.400 0.008 0.000 0.810 398 E CB -0.229 29.475 29.700 0.007 0.000 0.742 398 E HN 0.829 nan 8.360 nan 0.000 0.466 399 E N -0.329 119.876 120.200 0.008 0.000 2.047 399 E HA -0.187 4.163 4.350 0.000 0.000 0.191 399 E C 1.463 178.069 176.600 0.011 0.000 0.987 399 E CA 1.347 57.752 56.400 0.008 0.000 0.799 399 E CB 0.008 29.714 29.700 0.009 0.000 0.752 399 E HN 0.292 nan 8.360 nan 0.000 0.449 400 D N 0.413 120.823 120.400 0.017 0.000 2.117 400 D HA -0.150 4.490 4.640 0.000 0.000 0.197 400 D C 1.722 178.035 176.300 0.022 0.000 0.987 400 D CA 1.032 55.048 54.000 0.027 0.000 0.829 400 D CB -0.103 40.717 40.800 0.033 0.000 0.961 400 D HN 0.082 nan 8.370 nan 0.000 0.460 401 K N -0.122 120.286 120.400 0.014 0.000 2.152 401 K HA -0.138 4.182 4.320 0.000 0.000 0.206 401 K C 1.912 178.504 176.600 -0.014 0.000 1.048 401 K CA 0.433 56.723 56.287 0.005 0.000 0.933 401 K CB -0.062 32.442 32.500 0.006 0.000 0.721 401 K HN 0.043 nan 8.250 nan 0.000 0.447 402 L N 0.624 121.841 121.223 -0.010 0.000 2.131 402 L HA -0.105 4.236 4.340 0.000 0.000 0.206 402 L C 2.300 179.147 176.870 -0.037 0.000 1.087 402 L CA 1.863 56.691 54.840 -0.020 0.000 0.767 402 L CB -0.750 41.304 42.059 -0.008 0.000 0.917 402 L HN 0.278 nan 8.230 nan 0.000 0.441 403 T N -4.167 110.373 114.554 -0.024 0.000 2.821 403 T HA -0.128 4.222 4.350 0.000 0.000 0.267 403 T C 1.862 176.504 174.700 -0.097 0.000 1.046 403 T CA 1.423 63.506 62.100 -0.028 0.000 1.139 403 T CB -0.997 67.881 68.868 0.018 0.000 0.871 403 T HN 0.106 nan 8.240 nan 0.000 0.454 404 V N 2.849 122.701 119.914 -0.103 0.000 2.223 404 V HA -0.193 3.927 4.120 0.000 0.000 0.244 404 V C 3.243 179.138 176.094 -0.332 0.000 1.045 404 V CA 2.259 64.401 62.300 -0.263 0.000 1.000 404 V CB -1.178 30.599 31.823 -0.077 0.000 0.635 404 V HN 0.786 nan 8.190 nan 0.000 0.445 405 S N 0.701 116.299 115.700 -0.170 0.000 2.365 405 S HA -0.314 4.156 4.470 0.000 0.000 0.225 405 S C 2.047 176.548 174.600 -0.165 0.000 1.039 405 S CA 1.902 60.021 58.200 -0.135 0.000 1.033 405 S CB -0.624 62.537 63.200 -0.065 0.000 0.887 405 S HN 0.561 nan 8.310 nan 0.000 0.447 406 R N 1.515 121.925 120.500 -0.150 0.000 2.075 406 R HA 0.112 4.452 4.340 0.000 0.000 0.232 406 R C 2.855 179.050 176.300 -0.176 0.000 1.126 406 R CA 1.201 57.213 56.100 -0.147 0.000 0.963 406 R CB -0.818 29.429 30.300 -0.088 0.000 0.858 406 R HN 0.578 nan 8.270 nan 0.000 0.435 407 A N 1.305 123.990 122.820 -0.225 0.000 1.877 407 A HA -0.183 4.137 4.320 0.000 0.000 0.216 407 A C 2.102 179.539 177.584 -0.245 0.000 1.186 407 A CA 1.304 53.205 52.037 -0.226 0.000 0.620 407 A CB -0.378 18.418 19.000 -0.340 0.000 0.822 407 A HN 0.217 nan 8.150 nan 0.000 0.443 408 R N -0.406 119.866 120.500 -0.380 0.000 2.096 408 R HA -0.091 4.249 4.340 0.000 0.000 0.235 408 R C 2.153 178.390 176.300 -0.105 0.000 1.127 408 R CA 1.619 57.586 56.100 -0.221 0.000 0.968 408 R CB -0.223 29.945 30.300 -0.221 0.000 0.861 408 R HN 0.507 nan 8.270 nan 0.000 0.440 409 K N 0.323 120.613 120.400 -0.184 0.000 2.097 409 K HA -0.055 4.265 4.320 0.000 0.000 0.205 409 K C 1.962 178.380 176.600 -0.302 0.000 1.050 409 K CA 1.038 57.121 56.287 -0.340 0.000 0.938 409 K CB -0.002 32.101 32.500 -0.662 0.000 0.718 409 K HN 0.142 nan 8.250 nan 0.000 0.442 410 I N 1.059 121.549 120.570 -0.132 0.000 2.252 410 I HA -0.289 3.881 4.170 0.000 0.000 0.245 410 I C 2.370 178.637 176.117 0.249 0.000 1.102 410 I CA 1.260 62.645 61.300 0.141 0.000 1.385 410 I CB -0.093 38.008 38.000 0.168 0.000 1.064 410 I HN 0.238 nan 8.210 nan 0.000 0.414 411 Q N 0.258 120.137 119.800 0.132 0.000 2.096 411 Q HA -0.233 4.107 4.340 0.000 0.000 0.204 411 Q C 2.351 178.461 176.000 0.182 0.000 0.982 411 Q CA 1.656 57.545 55.803 0.143 0.000 0.850 411 Q CB -0.046 28.765 28.738 0.123 0.000 0.901 411 Q HN 0.380 nan 8.270 nan 0.000 0.422 412 R N -0.731 119.889 120.500 0.201 0.000 2.092 412 R HA -0.101 4.239 4.340 0.000 0.000 0.231 412 R C 1.747 178.236 176.300 0.316 0.000 1.119 412 R CA 1.011 57.285 56.100 0.291 0.000 0.970 412 R CB -0.144 30.356 30.300 0.335 0.000 0.864 412 R HN 0.175 nan 8.270 nan 0.000 0.440 413 F N 0.531 120.565 119.950 0.141 0.000 2.748 413 F HA 0.085 4.612 4.527 0.000 0.000 0.299 413 F C 1.271 177.224 175.800 0.254 0.000 1.154 413 F CA 0.594 58.651 58.000 0.095 0.000 1.446 413 F CB 0.167 39.065 39.000 -0.171 0.000 1.112 413 F HN -0.063 nan 8.300 nan 0.000 0.584 414 L N -0.594 120.788 121.223 0.264 0.000 2.341 414 L HA -0.009 4.331 4.340 0.000 0.000 0.214 414 L C 1.595 178.467 176.870 0.004 0.000 1.115 414 L CA 0.425 55.363 54.840 0.164 0.000 0.820 414 L CB -0.606 41.522 42.059 0.115 0.000 0.944 414 L HN 0.146 nan 8.230 nan 0.000 0.452 415 S N -0.368 115.326 115.700 -0.010 0.000 2.600 415 S HA 0.307 4.777 4.470 0.000 0.000 0.265 415 S C -0.323 174.173 174.600 -0.172 0.000 1.325 415 S CA -0.384 57.762 58.200 -0.089 0.000 1.002 415 S CB 1.736 64.882 63.200 -0.091 0.000 0.921 415 S HN 0.272 nan 8.310 nan 0.000 0.554 416 Q N 0.627 120.294 119.800 -0.223 0.000 2.352 416 Q HA 0.424 4.764 4.340 0.000 0.000 0.270 416 Q C -3.036 172.801 176.000 -0.272 0.000 1.006 416 Q CA -1.886 53.802 55.803 -0.190 0.000 0.880 416 Q CB 2.394 31.115 28.738 -0.029 0.000 1.392 416 Q HN 0.577 nan 8.270 nan 0.000 0.401 417 P HA 0.155 nan 4.420 nan 0.000 0.282 417 P C -1.057 176.345 177.300 0.171 0.000 1.262 417 P CA 0.320 63.386 63.100 -0.056 0.000 0.773 417 P CB 0.204 31.905 31.700 0.001 0.000 0.879 418 F N 1.470 121.439 119.950 0.032 0.000 2.394 418 F HA 0.223 4.750 4.527 -0.000 0.000 0.340 418 F C 2.270 178.091 175.800 0.034 0.000 1.105 418 F CA -0.760 57.262 58.000 0.036 0.000 1.124 418 F CB 1.714 40.745 39.000 0.051 0.000 1.145 418 F HN 0.377 nan 8.300 nan 0.000 0.505 419 Q N 1.550 121.474 119.800 0.207 0.000 2.181 419 Q HA -0.129 4.211 4.340 0.000 0.000 0.205 419 Q C 1.539 177.596 176.000 0.095 0.000 0.980 419 Q CA 1.273 57.139 55.803 0.105 0.000 0.862 419 Q CB 0.130 28.897 28.738 0.049 0.000 0.905 419 Q HN 0.631 nan 8.270 nan 0.000 0.429 420 V N -0.124 119.868 119.914 0.130 0.000 3.217 420 V HA -0.013 4.107 4.120 0.000 0.000 0.264 420 V C 1.275 177.477 176.094 0.179 0.000 1.135 420 V CA 1.240 63.614 62.300 0.122 0.000 1.142 420 V CB 0.264 32.151 31.823 0.107 0.000 0.754 420 V HN 0.392 nan 8.190 nan 0.000 0.484 421 A N -0.984 121.968 122.820 0.221 0.000 2.589 421 A HA 0.271 4.591 4.320 0.000 0.000 0.283 421 A C 1.515 179.176 177.584 0.127 0.000 1.187 421 A CA -0.207 51.994 52.037 0.273 0.000 0.957 421 A CB -0.065 19.095 19.000 0.266 0.000 1.175 421 A HN 0.460 nan 8.150 nan 0.000 0.532 422 E N -0.211 120.010 120.200 0.034 0.000 2.267 422 E HA -0.138 4.212 4.350 0.000 0.000 0.197 422 E C 1.493 178.020 176.600 -0.122 0.000 0.998 422 E CA 1.297 57.686 56.400 -0.018 0.000 0.830 422 E CB -0.093 29.598 29.700 -0.014 0.000 0.751 422 E HN 0.457 nan 8.360 nan 0.000 0.491 423 V N 0.194 119.932 119.914 -0.293 0.000 2.548 423 V HA -0.183 3.937 4.120 0.000 0.000 0.249 423 V C 1.630 177.462 176.094 -0.436 0.000 1.055 423 V CA 1.492 63.522 62.300 -0.450 0.000 1.065 423 V CB -0.424 30.998 31.823 -0.669 0.000 0.681 423 V HN 0.235 nan 8.190 nan 0.000 0.462 424 F N 0.797 120.718 119.950 -0.048 0.000 2.473 424 F HA -0.031 4.497 4.527 0.000 0.000 0.294 424 F C 2.592 178.359 175.800 -0.054 0.000 1.103 424 F CA 1.185 59.145 58.000 -0.066 0.000 1.442 424 F CB -0.711 38.216 39.000 -0.121 0.000 1.097 424 F HN 0.253 nan 8.300 nan 0.000 0.547 425 T N -3.516 111.097 114.554 0.099 0.000 3.010 425 T HA 0.346 4.696 4.350 0.000 0.000 0.252 425 T C 1.894 176.591 174.700 -0.004 0.000 1.047 425 T CA 0.697 62.857 62.100 0.101 0.000 1.140 425 T CB -0.056 68.885 68.868 0.123 0.000 0.885 425 T HN 0.388 nan 8.240 nan 0.000 0.464 426 G N 1.116 109.854 108.800 -0.103 0.000 2.136 426 G HA2 -0.191 3.769 3.960 0.000 0.000 0.242 426 G HA3 -0.191 3.769 3.960 0.000 0.000 0.242 426 G C -0.182 174.455 174.900 -0.438 0.000 0.989 426 G CA 0.279 45.225 45.100 -0.256 0.000 0.682 426 G HN 0.859 nan 8.290 nan 0.000 0.522 427 H N -1.537 117.526 119.070 -0.011 0.000 2.637 427 H HA 0.598 5.154 4.556 0.000 0.000 0.363 427 H C 0.156 175.480 175.328 -0.007 0.000 1.131 427 H CA -0.913 55.128 56.048 -0.012 0.000 1.183 427 H CB 1.845 31.592 29.762 -0.025 0.000 1.637 427 H HN 0.306 nan 8.280 nan 0.000 0.531 428 L N 2.074 123.369 121.223 0.119 0.000 2.490 428 L HA 0.283 4.623 4.340 0.000 0.000 0.274 428 L C 0.763 177.684 176.870 0.085 0.000 1.201 428 L CA 0.278 55.162 54.840 0.073 0.000 0.869 428 L CB 0.289 42.379 42.059 0.051 0.000 1.123 428 L HN 0.820 nan 8.230 nan 0.000 0.484 429 G N 4.056 112.905 108.800 0.080 0.000 2.491 429 G HA2 0.255 4.215 3.960 0.000 0.000 0.238 429 G HA3 0.255 4.215 3.960 0.000 0.000 0.238 429 G C -0.551 174.399 174.900 0.083 0.000 1.277 429 G CA -0.521 44.641 45.100 0.104 0.000 0.851 429 G HN 0.578 nan 8.290 nan 0.000 0.573 430 K N 0.613 121.072 120.400 0.099 0.000 2.375 430 K HA 0.534 4.854 4.320 0.000 0.000 0.249 430 K C -1.171 175.475 176.600 0.077 0.000 0.942 430 K CA -0.764 55.563 56.287 0.067 0.000 0.806 430 K CB 2.690 35.213 32.500 0.037 0.000 1.227 430 K HN 0.393 nan 8.250 nan 0.000 0.430 431 L N 1.958 123.210 121.223 0.048 0.000 2.441 431 L HA 0.405 4.745 4.340 0.000 0.000 0.270 431 L C -1.352 175.536 176.870 0.029 0.000 0.973 431 L CA -0.853 54.008 54.840 0.036 0.000 0.842 431 L CB 1.726 43.797 42.059 0.020 0.000 1.239 431 L HN 0.236 nan 8.230 nan 0.000 0.406 432 V N 5.583 125.513 119.914 0.027 0.000 2.370 432 V HA 0.448 4.569 4.120 0.000 0.000 0.283 432 V C -2.052 174.059 176.094 0.028 0.000 1.023 432 V CA -1.802 60.516 62.300 0.030 0.000 0.857 432 V CB 1.171 33.008 31.823 0.024 0.000 0.985 432 V HN 0.651 nan 8.190 nan 0.000 0.443 433 P HA 0.038 nan 4.420 nan 0.000 0.267 433 P C 0.765 178.080 177.300 0.025 0.000 1.200 433 P CA -0.248 62.868 63.100 0.027 0.000 0.772 433 P CB 0.672 32.389 31.700 0.030 0.000 0.855 434 L N 3.933 125.164 121.223 0.013 0.000 2.013 434 L HA -0.241 4.100 4.340 0.000 0.000 0.212 434 L C 1.884 178.740 176.870 -0.023 0.000 1.073 434 L CA 2.075 56.907 54.840 -0.012 0.000 0.753 434 L CB -0.882 41.171 42.059 -0.011 0.000 0.890 434 L HN 0.221 nan 8.230 nan 0.000 0.432 435 K N 0.121 120.521 120.400 0.000 0.000 2.001 435 K HA -0.226 4.095 4.320 0.000 0.000 0.214 435 K C 1.989 178.612 176.600 0.037 0.000 1.050 435 K CA 2.182 58.476 56.287 0.011 0.000 0.934 435 K CB -0.670 31.844 32.500 0.024 0.000 0.718 435 K HN 0.570 nan 8.250 nan 0.000 0.443 436 E N 0.286 120.518 120.200 0.053 0.000 2.097 436 E HA -0.155 4.195 4.350 0.000 0.000 0.196 436 E C 2.058 178.740 176.600 0.137 0.000 1.000 436 E CA 1.559 58.011 56.400 0.086 0.000 0.804 436 E CB -0.257 29.492 29.700 0.081 0.000 0.740 436 E HN 0.350 nan 8.360 nan 0.000 0.454 437 T N 1.653 116.283 114.554 0.128 0.000 2.684 437 T HA -0.154 4.196 4.350 0.000 0.000 0.267 437 T C 2.043 176.916 174.700 0.288 0.000 1.036 437 T CA 1.044 63.273 62.100 0.214 0.000 1.148 437 T CB -0.235 68.712 68.868 0.130 0.000 0.863 437 T HN 0.121 nan 8.240 nan 0.000 0.436 438 I N 0.837 121.479 120.570 0.120 0.000 2.127 438 I HA -0.206 3.964 4.170 0.000 0.000 0.241 438 I C 2.664 178.876 176.117 0.159 0.000 1.075 438 I CA 1.453 62.812 61.300 0.098 0.000 1.334 438 I CB -0.347 37.635 38.000 -0.030 0.000 1.040 438 I HN 0.192 nan 8.210 nan 0.000 0.405 439 K N 1.068 121.539 120.400 0.119 0.000 2.147 439 K HA -0.143 4.177 4.320 0.000 0.000 0.205 439 K C 2.073 178.739 176.600 0.109 0.000 1.049 439 K CA 1.465 57.812 56.287 0.099 0.000 0.936 439 K CB -0.276 32.270 32.500 0.076 0.000 0.722 439 K HN 0.396 nan 8.250 nan 0.000 0.446 440 G N 0.359 109.238 108.800 0.132 0.000 2.414 440 G HA2 -0.210 3.750 3.960 0.000 0.000 0.215 440 G HA3 -0.210 3.750 3.960 0.000 0.000 0.215 440 G C 1.213 176.055 174.900 -0.096 0.000 1.188 440 G CA 0.591 45.696 45.100 0.008 0.000 0.783 440 G HN 0.267 nan 8.290 nan 0.000 0.537 441 F N 0.549 120.614 119.950 0.191 0.000 2.206 441 F HA 0.051 4.578 4.527 0.000 0.000 0.298 441 F C 2.869 178.707 175.800 0.063 0.000 1.090 441 F CA 1.316 59.392 58.000 0.127 0.000 1.323 441 F CB -0.302 38.776 39.000 0.129 0.000 1.028 441 F HN 0.142 nan 8.300 nan 0.000 0.492 442 Q N 0.499 120.428 119.800 0.215 0.000 2.029 442 Q HA -0.318 4.022 4.340 0.000 0.000 0.209 442 Q C 2.192 178.233 176.000 0.067 0.000 0.999 442 Q CA 2.281 58.156 55.803 0.120 0.000 0.857 442 Q CB -0.236 28.559 28.738 0.094 0.000 0.926 442 Q HN 0.464 nan 8.270 nan 0.000 0.415 443 Q N -0.298 119.533 119.800 0.052 0.000 2.170 443 Q HA -0.138 4.202 4.340 0.000 0.000 0.203 443 Q C 2.017 178.008 176.000 -0.015 0.000 0.976 443 Q CA 1.373 57.170 55.803 -0.010 0.000 0.858 443 Q CB -0.028 28.726 28.738 0.026 0.000 0.907 443 Q HN 0.513 nan 8.270 nan 0.000 0.433 444 I N 0.012 120.607 120.570 0.042 0.000 2.676 444 I HA -0.212 3.958 4.170 0.000 0.000 0.259 444 I C 1.804 177.917 176.117 -0.008 0.000 1.194 444 I CA 0.733 62.034 61.300 0.000 0.000 1.473 444 I CB -0.033 37.868 38.000 -0.164 0.000 1.096 444 I HN 0.200 nan 8.210 nan 0.000 0.443 445 L N 0.411 121.651 121.223 0.027 0.000 2.209 445 L HA 0.028 4.368 4.340 0.000 0.000 0.207 445 L C 2.610 179.482 176.870 0.004 0.000 1.094 445 L CA 0.669 55.524 54.840 0.025 0.000 0.790 445 L CB -0.384 41.706 42.059 0.053 0.000 0.932 445 L HN 0.174 nan 8.230 nan 0.000 0.447 446 A N -0.396 122.419 122.820 -0.009 0.000 2.206 446 A HA 0.214 4.534 4.320 0.000 0.000 0.211 446 A C 1.723 179.284 177.584 -0.039 0.000 1.158 446 A CA 0.879 52.902 52.037 -0.024 0.000 0.761 446 A CB -0.448 18.531 19.000 -0.034 0.000 0.801 446 A HN 0.520 nan 8.150 nan 0.000 0.473 447 G N -0.847 107.928 108.800 -0.042 0.000 2.141 447 G HA2 -0.255 3.705 3.960 0.000 0.000 0.231 447 G HA3 -0.255 3.705 3.960 0.000 0.000 0.231 447 G C 0.483 175.353 174.900 -0.050 0.000 0.984 447 G CA 0.544 45.626 45.100 -0.030 0.000 0.660 447 G HN 0.551 nan 8.290 nan 0.000 0.525 448 E N -1.055 119.051 120.200 -0.157 0.000 2.265 448 E HA -0.039 4.311 4.350 0.000 0.000 0.196 448 E C 1.064 177.471 176.600 -0.322 0.000 0.996 448 E CA 1.025 57.232 56.400 -0.320 0.000 0.832 448 E CB -0.079 29.282 29.700 -0.565 0.000 0.756 448 E HN 0.810 nan 8.360 nan 0.000 0.491 449 Y N -0.767 119.585 120.300 0.087 0.000 2.682 449 Y HA 0.102 4.652 4.550 0.000 0.000 0.251 449 Y C 0.814 176.719 175.900 0.009 0.000 1.172 449 Y CA -0.753 57.371 58.100 0.039 0.000 1.186 449 Y CB 0.692 39.222 38.460 0.117 0.000 1.216 449 Y HN -0.090 nan 8.280 nan 0.000 0.540 450 D N 0.145 120.651 120.400 0.177 0.000 2.228 450 D HA -0.218 4.423 4.640 0.000 0.000 0.203 450 D C 2.036 178.419 176.300 0.138 0.000 0.988 450 D CA 1.660 55.733 54.000 0.121 0.000 0.864 450 D CB -0.181 40.672 40.800 0.088 0.000 0.928 450 D HN 0.601 nan 8.370 nan 0.000 0.469 451 H N -0.480 118.642 119.070 0.087 0.000 2.529 451 H HA 0.084 4.640 4.556 0.000 0.000 0.277 451 H C 0.794 176.171 175.328 0.083 0.000 0.999 451 H CA 0.040 56.130 56.048 0.069 0.000 1.256 451 H CB -0.405 29.387 29.762 0.049 0.000 1.402 451 H HN 0.123 nan 8.280 nan 0.000 0.566 452 L N 3.161 124.200 121.223 -0.306 0.000 2.395 452 L HA 0.278 4.618 4.340 0.000 0.000 0.269 452 L C -2.082 174.784 176.870 -0.008 0.000 1.133 452 L CA -1.964 52.751 54.840 -0.209 0.000 0.812 452 L CB 0.925 42.825 42.059 -0.265 0.000 1.125 452 L HN 0.088 nan 8.230 nan 0.000 0.452 453 P HA 0.192 nan 4.420 nan 0.000 0.290 453 P C -0.027 177.317 177.300 0.073 0.000 1.276 453 P CA -0.536 62.576 63.100 0.021 0.000 0.808 453 P CB 1.183 32.877 31.700 -0.010 0.000 0.966 454 E N 1.354 121.635 120.200 0.135 0.000 2.095 454 E HA -0.334 4.016 4.350 0.000 0.000 0.212 454 E C 1.636 178.367 176.600 0.218 0.000 1.044 454 E CA 1.773 58.307 56.400 0.224 0.000 0.857 454 E CB -0.365 29.396 29.700 0.102 0.000 0.764 454 E HN 0.507 nan 8.360 nan 0.000 0.462 455 Q N 0.097 119.951 119.800 0.090 0.000 2.344 455 Q HA -0.216 4.124 4.340 0.000 0.000 0.212 455 Q C 1.770 177.797 176.000 0.046 0.000 0.991 455 Q CA 1.613 57.458 55.803 0.069 0.000 0.897 455 Q CB -0.266 28.485 28.738 0.021 0.000 0.915 455 Q HN 0.376 nan 8.270 nan 0.000 0.438 456 A N -1.482 121.280 122.820 -0.097 0.000 2.066 456 A HA -0.042 4.278 4.320 0.000 0.000 0.218 456 A C 1.374 178.720 177.584 -0.397 0.000 1.157 456 A CA 0.782 52.625 52.037 -0.324 0.000 0.670 456 A CB -0.401 18.250 19.000 -0.582 0.000 0.804 456 A HN 0.448 nan 8.150 nan 0.000 0.453 457 F N -2.586 117.358 119.950 -0.010 0.000 2.698 457 F HA 0.182 4.709 4.527 0.000 0.000 0.295 457 F C 0.781 176.680 175.800 0.164 0.000 1.124 457 F CA -0.265 57.763 58.000 0.046 0.000 1.426 457 F CB -0.096 38.912 39.000 0.014 0.000 1.120 457 F HN 0.267 nan 8.300 nan 0.000 0.583 458 Y N 1.910 122.300 120.300 0.151 0.000 2.465 458 Y HA 0.211 4.761 4.550 -0.000 0.000 0.331 458 Y C 0.738 176.634 175.900 -0.007 0.000 1.102 458 Y CA -1.123 57.029 58.100 0.086 0.000 1.358 458 Y CB 0.187 38.686 38.460 0.065 0.000 1.213 458 Y HN 0.077 nan 8.280 nan 0.000 0.525 459 M N 5.491 124.763 119.600 -0.548 0.000 2.353 459 M HA -0.170 4.310 4.480 0.000 0.000 0.202 459 M C -1.135 174.933 176.300 -0.387 0.000 0.434 459 M CA 1.017 55.954 55.300 -0.606 0.000 0.477 459 M CB -2.562 29.504 32.600 -0.891 0.000 1.592 459 M HN 0.460 nan 8.290 nan 0.000 0.895 460 V N -3.621 116.187 119.914 -0.177 0.000 3.181 460 V HA 1.104 5.224 4.120 0.000 0.000 0.314 460 V C 0.693 176.762 176.094 -0.042 0.000 1.173 460 V CA 0.028 62.281 62.300 -0.079 0.000 1.052 460 V CB 1.648 33.480 31.823 0.015 0.000 1.123 460 V HN 0.345 nan 8.190 nan 0.000 0.454 461 G N -0.268 108.544 108.800 0.020 0.000 2.754 461 G HA2 0.473 4.433 3.960 0.000 0.000 0.210 461 G HA3 0.473 4.433 3.960 0.000 0.000 0.210 461 G C -2.299 172.672 174.900 0.118 0.000 2.092 461 G CA -0.295 44.813 45.100 0.014 0.000 0.766 461 G HN 0.764 nan 8.290 nan 0.000 0.745 462 P HA 0.145 nan 4.420 nan 0.000 0.272 462 P C 0.685 178.129 177.300 0.239 0.000 1.223 462 P CA -0.486 62.737 63.100 0.205 0.000 0.784 462 P CB 1.679 33.438 31.700 0.097 0.000 0.923 463 I N 1.773 122.441 120.570 0.162 0.000 2.315 463 I HA -0.290 3.880 4.170 0.000 0.000 0.251 463 I C 1.895 177.872 176.117 -0.232 0.000 1.125 463 I CA 1.872 63.023 61.300 -0.249 0.000 1.392 463 I CB -0.639 37.203 38.000 -0.265 0.000 1.065 463 I HN 0.336 nan 8.210 nan 0.000 0.424 464 E N 0.254 120.403 120.200 -0.085 0.000 2.153 464 E HA -0.225 4.125 4.350 0.000 0.000 0.194 464 E C 2.094 178.630 176.600 -0.106 0.000 0.988 464 E CA 1.390 57.743 56.400 -0.078 0.000 0.811 464 E CB -0.194 29.495 29.700 -0.018 0.000 0.746 464 E HN 0.589 nan 8.360 nan 0.000 0.466 465 E N 0.103 120.255 120.200 -0.080 0.000 2.106 465 E HA -0.130 4.220 4.350 0.000 0.000 0.192 465 E C 2.044 178.543 176.600 -0.168 0.000 0.984 465 E CA 0.780 57.130 56.400 -0.084 0.000 0.806 465 E CB -0.105 29.577 29.700 -0.030 0.000 0.750 465 E HN 0.286 nan 8.360 nan 0.000 0.458 466 A N 1.008 123.669 122.820 -0.265 0.000 1.902 466 A HA -0.153 4.167 4.320 0.000 0.000 0.217 466 A C 2.506 179.767 177.584 -0.539 0.000 1.181 466 A CA 1.195 52.934 52.037 -0.498 0.000 0.623 466 A CB -0.708 17.796 19.000 -0.826 0.000 0.818 466 A HN 0.111 nan 8.150 nan 0.000 0.443 467 V N -0.008 119.624 119.914 -0.470 0.000 2.287 467 V HA -0.294 3.826 4.120 0.000 0.000 0.248 467 V C 3.049 179.020 176.094 -0.205 0.000 1.053 467 V CA 2.104 64.205 62.300 -0.332 0.000 1.027 467 V CB -1.374 30.331 31.823 -0.197 0.000 0.646 467 V HN 0.619 nan 8.190 nan 0.000 0.447 468 A N -0.641 122.084 122.820 -0.159 0.000 1.933 468 A HA -0.249 4.071 4.320 0.000 0.000 0.218 468 A C 2.364 179.885 177.584 -0.105 0.000 1.175 468 A CA 2.076 54.053 52.037 -0.101 0.000 0.628 468 A CB -0.469 18.488 19.000 -0.072 0.000 0.814 468 A HN 0.511 nan 8.150 nan 0.000 0.444 469 K N -0.498 119.816 120.400 -0.144 0.000 2.217 469 K HA 0.025 4.345 4.320 0.000 0.000 0.202 469 K C 2.119 178.634 176.600 -0.141 0.000 1.051 469 K CA 0.860 57.070 56.287 -0.127 0.000 0.952 469 K CB -0.227 32.186 32.500 -0.144 0.000 0.736 469 K HN 0.403 nan 8.250 nan 0.000 0.453 470 A N 1.709 124.408 122.820 -0.202 0.000 1.873 470 A HA -0.172 4.148 4.320 0.000 0.000 0.215 470 A C 1.579 179.104 177.584 -0.098 0.000 1.186 470 A CA 1.863 53.792 52.037 -0.181 0.000 0.616 470 A CB -0.468 18.381 19.000 -0.252 0.000 0.823 470 A HN 0.302 nan 8.150 nan 0.000 0.442 471 D N -0.400 119.953 120.400 -0.079 0.000 2.144 471 D HA -0.136 4.504 4.640 0.000 0.000 0.199 471 D C 1.813 178.093 176.300 -0.033 0.000 0.984 471 D CA 1.326 55.302 54.000 -0.040 0.000 0.834 471 D CB -0.288 40.493 40.800 -0.031 0.000 0.955 471 D HN 0.510 nan 8.370 nan 0.000 0.465 472 K N 0.390 120.766 120.400 -0.041 0.000 2.209 472 K HA -0.039 4.281 4.320 0.000 0.000 0.204 472 K C 1.980 178.567 176.600 -0.022 0.000 1.048 472 K CA 0.407 56.678 56.287 -0.027 0.000 0.940 472 K CB -0.053 32.431 32.500 -0.027 0.000 0.729 472 K HN 0.144 nan 8.250 nan 0.000 0.451 473 L N 0.563 121.767 121.223 -0.032 0.000 2.478 473 L HA 0.017 4.358 4.340 0.000 0.000 0.223 473 L C 0.686 177.547 176.870 -0.015 0.000 1.140 473 L CA 0.288 55.114 54.840 -0.023 0.000 0.842 473 L CB -0.391 41.648 42.059 -0.034 0.000 0.953 473 L HN 0.284 nan 8.230 nan 0.000 0.452 474 A N 0.000 122.811 122.820 -0.015 0.000 2.254 474 A HA 0.000 4.320 4.320 0.000 0.000 0.244 474 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 474 A CB 0.000 18.998 19.000 -0.004 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486