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 1nbm_1_D DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLAE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.877 174.700 0.294 0.000 1.109 9 T CA 0.000 62.239 62.100 0.232 0.000 1.349 9 T CB 0.000 69.035 68.868 0.278 0.000 0.612 10 T N 1.328 115.963 114.554 0.134 0.000 2.881 10 T HA 0.807 5.157 4.350 -0.000 0.000 0.290 10 T C 0.332 174.597 174.700 -0.725 0.000 1.000 10 T CA -0.524 61.468 62.100 -0.180 0.000 0.978 10 T CB 1.758 70.557 68.868 -0.115 0.000 0.997 10 T HN 1.166 nan 8.240 nan 0.000 0.443 11 G N 1.616 109.620 108.800 -1.328 0.000 2.644 11 G HA2 0.808 4.768 3.960 -0.000 0.000 0.307 11 G HA3 0.808 4.768 3.960 -0.000 0.000 0.307 11 G C -1.194 173.352 174.900 -0.589 0.000 1.250 11 G CA -0.980 43.265 45.100 -1.424 0.000 0.996 11 G HN 0.619 nan 8.290 nan 0.000 0.489 12 R N -0.651 119.625 120.500 -0.373 0.000 2.673 12 R HA 0.372 4.712 4.340 -0.000 0.000 0.281 12 R C -0.647 175.577 176.300 -0.127 0.000 0.991 12 R CA -0.813 55.169 56.100 -0.198 0.000 0.896 12 R CB 2.563 32.776 30.300 -0.144 0.000 1.201 12 R HN 0.384 nan 8.270 nan 0.000 0.457 13 I N 2.966 123.485 120.570 -0.085 0.000 2.556 13 I HA -0.051 4.119 4.170 -0.000 0.000 0.284 13 I C 1.486 177.580 176.117 -0.039 0.000 1.114 13 I CA 0.111 61.383 61.300 -0.046 0.000 1.418 13 I CB 1.031 39.011 38.000 -0.032 0.000 1.394 13 I HN 0.567 nan 8.210 nan 0.000 0.552 14 V N 2.837 122.736 119.914 -0.026 0.000 3.572 14 V HA 0.590 4.710 4.120 -0.000 0.000 0.260 14 V C 0.519 176.606 176.094 -0.013 0.000 1.324 14 V CA 0.314 62.601 62.300 -0.021 0.000 1.068 14 V CB 0.302 32.114 31.823 -0.018 0.000 0.837 14 V HN 0.722 nan 8.190 nan 0.000 0.450 15 A N -0.134 122.681 122.820 -0.008 0.000 2.517 15 A HA 0.812 5.132 4.320 -0.000 0.000 0.297 15 A C -1.301 176.282 177.584 -0.002 0.000 1.050 15 A CA -0.374 51.660 52.037 -0.005 0.000 0.694 15 A CB 2.211 21.210 19.000 -0.002 0.000 1.277 15 A HN 0.566 nan 8.150 nan 0.000 0.400 16 V N 2.818 122.730 119.914 -0.002 0.000 2.569 16 V HA 0.579 4.699 4.120 -0.000 0.000 0.301 16 V C -0.839 175.255 176.094 -0.001 0.000 1.044 16 V CA -0.115 62.185 62.300 -0.001 0.000 0.874 16 V CB 1.429 33.251 31.823 -0.002 0.000 1.002 16 V HN 0.742 nan 8.190 nan 0.000 0.424 17 I N 4.158 124.728 120.570 0.001 0.000 2.560 17 I HA 0.623 4.793 4.170 -0.000 0.000 0.283 17 I C 0.759 176.876 176.117 0.000 0.000 1.115 17 I CA 0.020 61.320 61.300 -0.000 0.000 1.066 17 I CB 1.679 39.678 38.000 -0.001 0.000 1.221 17 I HN 0.881 nan 8.210 nan 0.000 0.450 18 G N 4.716 113.516 108.800 -0.000 0.000 2.547 18 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.271 18 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.271 18 G C 0.620 175.521 174.900 0.002 0.000 1.209 18 G CA 0.333 45.433 45.100 -0.000 0.000 0.959 18 G HN 0.967 nan 8.290 nan 0.000 0.563 19 A N -0.793 122.028 122.820 0.002 0.000 2.337 19 A HA 0.598 4.918 4.320 -0.000 0.000 0.227 19 A C 0.684 178.272 177.584 0.008 0.000 1.259 19 A CA 1.291 53.331 52.037 0.005 0.000 0.870 19 A CB -0.012 18.991 19.000 0.005 0.000 0.927 19 A HN 1.503 nan 8.150 nan 0.000 0.497 20 V N 0.976 120.894 119.914 0.006 0.000 2.370 20 V HA 0.414 4.534 4.120 -0.000 0.000 0.283 20 V C -0.458 175.642 176.094 0.010 0.000 1.023 20 V CA -0.464 61.841 62.300 0.009 0.000 0.857 20 V CB 1.293 33.119 31.823 0.006 0.000 0.985 20 V HN 0.091 nan 8.190 nan 0.000 0.443 21 V N 3.677 123.600 119.914 0.015 0.000 2.680 21 V HA 0.556 4.676 4.120 -0.000 0.000 0.309 21 V C -0.844 175.263 176.094 0.021 0.000 1.052 21 V CA -0.750 61.559 62.300 0.015 0.000 0.908 21 V CB 2.343 34.176 31.823 0.016 0.000 1.001 21 V HN 0.797 nan 8.190 nan 0.000 0.431 22 D N 2.542 122.952 120.400 0.017 0.000 2.278 22 D HA 0.606 5.246 4.640 -0.000 0.000 0.245 22 D C -0.723 175.591 176.300 0.022 0.000 1.052 22 D CA -0.098 53.915 54.000 0.021 0.000 0.834 22 D CB 2.335 43.143 40.800 0.013 0.000 1.194 22 D HN 0.246 nan 8.370 nan 0.000 0.481 23 V N 1.932 121.876 119.914 0.049 0.000 2.680 23 V HA 0.369 4.489 4.120 -0.000 0.000 0.309 23 V C -0.154 175.991 176.094 0.085 0.000 1.052 23 V CA -0.883 61.449 62.300 0.052 0.000 0.908 23 V CB 2.138 34.035 31.823 0.124 0.000 1.001 23 V HN 0.410 nan 8.190 nan 0.000 0.431 24 Q N 2.599 122.403 119.800 0.007 0.000 2.333 24 Q HA 0.575 4.915 4.340 -0.000 0.000 0.265 24 Q C -1.950 174.031 176.000 -0.031 0.000 0.989 24 Q CA -0.478 55.343 55.803 0.030 0.000 0.842 24 Q CB 1.382 30.112 28.738 -0.015 0.000 1.262 24 Q HN 0.621 nan 8.270 nan 0.000 0.451 25 F N 2.425 122.341 119.950 -0.057 0.000 2.421 25 F HA 0.234 4.761 4.527 -0.000 0.000 0.337 25 F C 0.980 176.757 175.800 -0.039 0.000 1.105 25 F CA -0.492 57.479 58.000 -0.047 0.000 1.049 25 F CB 1.581 40.547 39.000 -0.056 0.000 1.139 25 F HN 0.660 nan 8.300 nan 0.000 0.479 26 D N 1.359 121.802 120.400 0.072 0.000 2.117 26 D HA -0.091 4.549 4.640 -0.000 0.000 0.198 26 D C 0.212 176.557 176.300 0.075 0.000 0.982 26 D CA 1.330 55.356 54.000 0.044 0.000 0.828 26 D CB 0.257 41.059 40.800 0.005 0.000 0.967 26 D HN 0.726 nan 8.370 nan 0.000 0.464 27 E N -1.551 118.721 120.200 0.120 0.000 2.372 27 E HA 0.470 4.820 4.350 -0.000 0.000 0.279 27 E C -0.412 176.258 176.600 0.117 0.000 0.946 27 E CA -1.136 55.318 56.400 0.091 0.000 0.769 27 E CB 2.043 31.777 29.700 0.057 0.000 1.230 27 E HN -0.030 nan 8.360 nan 0.000 0.442 28 G N 1.701 110.528 108.800 0.046 0.000 2.540 28 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.260 28 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.260 28 G C -0.752 174.074 174.900 -0.124 0.000 0.993 28 G CA -0.125 44.969 45.100 -0.009 0.000 1.327 28 G HN 0.378 nan 8.290 nan 0.000 0.485 29 L N 4.983 126.117 121.223 -0.148 0.000 2.369 29 L HA 0.469 4.809 4.340 -0.000 0.000 0.279 29 L C -0.923 175.762 176.870 -0.308 0.000 1.108 29 L CA -1.945 52.709 54.840 -0.310 0.000 0.852 29 L CB 0.433 42.367 42.059 -0.208 0.000 1.169 29 L HN 0.378 nan 8.230 nan 0.000 0.452 30 P HA 0.125 nan 4.420 nan 0.000 0.264 30 P C -2.672 174.621 177.300 -0.012 0.000 1.193 30 P CA -1.010 61.905 63.100 -0.308 0.000 0.763 30 P CB -0.007 31.417 31.700 -0.460 0.000 0.810 31 P HA 0.102 nan 4.420 nan 0.000 0.271 31 P C 0.591 177.878 177.300 -0.022 0.000 1.233 31 P CA -0.058 63.034 63.100 -0.013 0.000 0.789 31 P CB 0.807 32.467 31.700 -0.066 0.000 0.951 32 I N 1.209 121.684 120.570 -0.159 0.000 2.892 32 I HA -0.092 4.078 4.170 -0.000 0.000 0.287 32 I C 1.812 177.848 176.117 -0.135 0.000 1.205 32 I CA 0.245 61.466 61.300 -0.132 0.000 1.409 32 I CB -0.234 37.645 38.000 -0.201 0.000 1.367 32 I HN 0.464 nan 8.210 nan 0.000 0.597 33 L N 0.735 121.866 121.223 -0.154 0.000 4.982 33 L HA -0.278 4.062 4.340 -0.000 0.000 0.402 33 L C 0.283 177.059 176.870 -0.157 0.000 0.863 33 L CA 0.343 55.022 54.840 -0.268 0.000 1.876 33 L CB -1.516 40.292 42.059 -0.418 0.000 1.554 33 L HN 0.712 nan 8.230 nan 0.000 0.603 34 N N 0.672 119.320 118.700 -0.086 0.000 2.482 34 N HA 0.527 5.267 4.740 -0.000 0.000 0.260 34 N C 0.216 175.715 175.510 -0.018 0.000 1.236 34 N CA 0.855 53.877 53.050 -0.048 0.000 0.938 34 N CB 0.919 39.375 38.487 -0.051 0.000 1.128 34 N HN 0.312 nan 8.380 nan 0.000 0.448 35 A N 1.622 124.442 122.820 0.001 0.000 2.282 35 A HA 0.723 5.043 4.320 -0.000 0.000 0.319 35 A C -0.699 176.905 177.584 0.032 0.000 1.121 35 A CA -0.500 51.551 52.037 0.022 0.000 0.836 35 A CB 0.469 19.485 19.000 0.027 0.000 1.146 35 A HN 0.594 nan 8.150 nan 0.000 0.494 36 L N 1.124 122.378 121.223 0.051 0.000 2.408 36 L HA 0.418 4.758 4.340 -0.000 0.000 0.268 36 L C -0.628 176.278 176.870 0.059 0.000 0.986 36 L CA -0.673 54.216 54.840 0.082 0.000 0.820 36 L CB 2.088 44.223 42.059 0.127 0.000 1.303 36 L HN 0.623 nan 8.230 nan 0.000 0.411 37 E N 3.079 123.311 120.200 0.053 0.000 2.055 37 E HA 0.216 4.566 4.350 -0.000 0.000 0.274 37 E C -0.647 175.968 176.600 0.025 0.000 0.949 37 E CA -0.487 55.931 56.400 0.031 0.000 0.775 37 E CB 2.031 31.742 29.700 0.019 0.000 1.097 37 E HN 0.205 nan 8.360 nan 0.000 0.404 38 V N 4.766 124.691 119.914 0.018 0.000 2.450 38 V HA -0.072 4.048 4.120 -0.000 0.000 0.281 38 V C 0.776 176.868 176.094 -0.003 0.000 1.019 38 V CA 0.036 62.339 62.300 0.005 0.000 1.062 38 V CB 0.328 32.154 31.823 0.005 0.000 0.979 38 V HN 0.439 nan 8.190 nan 0.000 0.477 39 Q N 2.898 122.690 119.800 -0.013 0.000 2.299 39 Q HA 0.442 4.782 4.340 -0.000 0.000 0.246 39 Q C 1.039 177.029 176.000 -0.016 0.000 0.935 39 Q CA 0.568 56.362 55.803 -0.015 0.000 0.887 39 Q CB 1.340 30.064 28.738 -0.023 0.000 1.223 39 Q HN 1.135 nan 8.270 nan 0.000 0.439 40 G N 2.050 110.842 108.800 -0.013 0.000 2.255 40 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.239 40 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.239 40 G C -0.240 174.655 174.900 -0.008 0.000 1.083 40 G CA -0.148 44.945 45.100 -0.012 0.000 0.826 40 G HN 0.431 nan 8.290 nan 0.000 0.493 41 R N -0.991 119.506 120.500 -0.005 0.000 2.698 41 R HA 0.376 4.716 4.340 -0.000 0.000 0.275 41 R C 0.324 176.623 176.300 -0.001 0.000 1.001 41 R CA -0.962 55.137 56.100 -0.003 0.000 0.896 41 R CB 1.137 31.436 30.300 -0.001 0.000 1.218 41 R HN 0.075 nan 8.270 nan 0.000 0.462 42 E N 0.431 120.630 120.200 -0.000 0.000 2.358 42 E HA -0.020 4.330 4.350 -0.000 0.000 0.195 42 E C 0.367 176.969 176.600 0.003 0.000 1.010 42 E CA 0.864 57.264 56.400 0.001 0.000 0.856 42 E CB 0.293 29.993 29.700 0.001 0.000 0.795 42 E HN 0.617 nan 8.360 nan 0.000 0.504 43 T N -1.066 113.490 114.554 0.004 0.000 2.829 43 T HA 0.413 4.763 4.350 -0.000 0.000 0.280 43 T C 0.096 174.800 174.700 0.007 0.000 0.999 43 T CA -0.947 61.156 62.100 0.006 0.000 0.983 43 T CB 2.320 71.192 68.868 0.006 0.000 0.968 43 T HN -0.126 nan 8.240 nan 0.000 0.446 44 R N 2.342 122.848 120.500 0.009 0.000 2.413 44 R HA 0.246 4.586 4.340 -0.000 0.000 0.333 44 R C -0.829 175.479 176.300 0.014 0.000 1.074 44 R CA -0.560 55.546 56.100 0.011 0.000 0.982 44 R CB -0.336 29.972 30.300 0.013 0.000 0.981 44 R HN 0.581 nan 8.270 nan 0.000 0.452 45 L N 6.215 127.446 121.223 0.013 0.000 2.265 45 L HA 0.322 4.662 4.340 -0.000 0.000 0.289 45 L C -1.078 175.804 176.870 0.021 0.000 1.033 45 L CA -0.386 54.464 54.840 0.016 0.000 0.814 45 L CB 1.650 43.716 42.059 0.013 0.000 1.203 45 L HN 0.293 nan 8.230 nan 0.000 0.423 46 V N 6.322 126.252 119.914 0.026 0.000 2.532 46 V HA 0.478 4.598 4.120 -0.000 0.000 0.295 46 V C 0.044 176.159 176.094 0.036 0.000 1.041 46 V CA -0.621 61.698 62.300 0.032 0.000 0.926 46 V CB 1.703 33.546 31.823 0.034 0.000 0.992 46 V HN 0.599 nan 8.190 nan 0.000 0.457 47 L N 3.589 124.837 121.223 0.042 0.000 2.362 47 L HA 0.574 4.914 4.340 -0.000 0.000 0.275 47 L C -0.151 176.747 176.870 0.047 0.000 0.998 47 L CA -0.352 54.516 54.840 0.045 0.000 0.820 47 L CB 2.019 44.109 42.059 0.052 0.000 1.270 47 L HN 0.674 nan 8.230 nan 0.000 0.415 48 E N 2.592 122.819 120.200 0.045 0.000 2.134 48 E HA 0.332 4.682 4.350 -0.000 0.000 0.278 48 E C -1.030 175.586 176.600 0.027 0.000 0.959 48 E CA -0.770 55.652 56.400 0.037 0.000 0.783 48 E CB 1.690 31.424 29.700 0.057 0.000 1.095 48 E HN 0.320 nan 8.360 nan 0.000 0.399 49 V N 4.391 124.315 119.914 0.016 0.000 2.485 49 V HA 0.091 4.211 4.120 -0.000 0.000 0.287 49 V C 0.890 176.993 176.094 0.015 0.000 1.022 49 V CA 0.935 63.254 62.300 0.032 0.000 1.067 49 V CB 0.694 32.545 31.823 0.046 0.000 0.967 49 V HN 0.890 nan 8.190 nan 0.000 0.479 50 A N 4.289 127.129 122.820 0.033 0.000 2.070 50 A HA 0.343 4.663 4.320 -0.000 0.000 0.202 50 A C 0.704 178.305 177.584 0.028 0.000 1.277 50 A CA 0.175 52.221 52.037 0.015 0.000 0.872 50 A CB 0.418 19.428 19.000 0.017 0.000 0.933 50 A HN 0.746 nan 8.150 nan 0.000 0.475 51 Q N -1.078 118.766 119.800 0.075 0.000 2.456 51 Q HA 0.387 4.727 4.340 -0.000 0.000 0.284 51 Q C -1.628 174.503 176.000 0.218 0.000 1.061 51 Q CA -0.578 55.282 55.803 0.095 0.000 0.799 51 Q CB 1.931 30.702 28.738 0.056 0.000 1.445 51 Q HN 0.571 nan 8.270 nan 0.000 0.411 52 H N 2.381 121.440 119.070 -0.018 0.000 2.643 52 H HA 0.226 4.782 4.556 -0.000 0.000 0.259 52 H C 0.750 176.075 175.328 -0.007 0.000 1.298 52 H CA -0.184 55.855 56.048 -0.016 0.000 1.301 52 H CB 0.647 30.393 29.762 -0.027 0.000 1.422 52 H HN 0.502 nan 8.280 nan 0.000 0.521 53 L N 1.937 123.200 121.223 0.066 0.000 2.013 53 L HA -0.087 4.253 4.340 -0.000 0.000 0.212 53 L C 1.357 178.245 176.870 0.031 0.000 1.073 53 L CA 1.364 56.227 54.840 0.038 0.000 0.753 53 L CB -0.249 41.822 42.059 0.020 0.000 0.890 53 L HN 0.743 nan 8.230 nan 0.000 0.432 54 G N -1.536 107.272 108.800 0.013 0.000 2.343 54 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.465 54 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.465 54 G C -0.372 174.527 174.900 -0.002 0.000 1.282 54 G CA -0.404 44.702 45.100 0.010 0.000 0.996 54 G HN 0.230 nan 8.290 nan 0.000 0.521 55 E N -0.934 119.268 120.200 0.002 0.000 2.360 55 E HA -0.209 4.141 4.350 -0.000 0.000 0.238 55 E C 0.888 177.488 176.600 0.001 0.000 1.186 55 E CA 0.931 57.332 56.400 0.002 0.000 0.719 55 E CB -1.665 28.036 29.700 0.003 0.000 1.236 55 E HN 1.959 nan 8.360 nan 0.000 0.386 56 S N -1.996 113.701 115.700 -0.006 0.000 3.587 56 S HA -0.215 4.255 4.470 -0.000 0.000 0.337 56 S C 0.099 174.704 174.600 0.009 0.000 1.119 56 S CA 1.493 59.692 58.200 -0.001 0.000 0.976 56 S CB -1.053 62.162 63.200 0.025 0.000 0.922 56 S HN 0.470 nan 8.310 nan 0.000 0.503 57 T N 1.073 115.614 114.554 -0.021 0.000 2.863 57 T HA 0.700 5.050 4.350 -0.000 0.000 0.285 57 T C 0.091 174.755 174.700 -0.061 0.000 1.009 57 T CA -0.344 61.751 62.100 -0.007 0.000 0.989 57 T CB 2.070 70.939 68.868 0.001 0.000 1.004 57 T HN 0.614 nan 8.240 nan 0.000 0.455 58 V N 0.511 120.402 119.914 -0.039 0.000 2.962 58 V HA 0.787 4.907 4.120 -0.000 0.000 0.313 58 V C -0.585 175.518 176.094 0.014 0.000 1.099 58 V CA -1.441 60.819 62.300 -0.067 0.000 0.971 58 V CB 1.976 33.708 31.823 -0.151 0.000 1.028 58 V HN 0.862 nan 8.190 nan 0.000 0.430 59 R N 1.799 122.319 120.500 0.035 0.000 2.346 59 R HA 0.790 5.130 4.340 -0.000 0.000 0.311 59 R C -0.251 176.075 176.300 0.044 0.000 0.983 59 R CA 0.338 56.460 56.100 0.037 0.000 0.880 59 R CB 1.619 31.939 30.300 0.033 0.000 1.100 59 R HN 1.175 nan 8.270 nan 0.000 0.453 60 T N 1.948 116.525 114.554 0.039 0.000 2.901 60 T HA 0.521 4.871 4.350 -0.000 0.000 0.293 60 T C 0.122 174.840 174.700 0.031 0.000 1.084 60 T CA -1.022 61.101 62.100 0.039 0.000 1.008 60 T CB 1.168 70.065 68.868 0.049 0.000 1.170 60 T HN 0.592 nan 8.240 nan 0.000 0.509 61 I N -0.397 120.192 120.570 0.031 0.000 2.412 61 I HA 0.836 5.006 4.170 -0.000 0.000 0.296 61 I C 0.037 176.172 176.117 0.031 0.000 0.987 61 I CA -1.462 59.854 61.300 0.027 0.000 1.180 61 I CB 1.356 39.372 38.000 0.027 0.000 1.340 61 I HN 0.878 nan 8.210 nan 0.000 0.455 62 A N 6.873 129.708 122.820 0.025 0.000 2.331 62 A HA 0.515 4.835 4.320 -0.000 0.000 0.283 62 A C 0.677 178.277 177.584 0.028 0.000 1.142 62 A CA -0.663 51.389 52.037 0.025 0.000 0.812 62 A CB 0.802 19.814 19.000 0.019 0.000 1.074 62 A HN 0.877 nan 8.150 nan 0.000 0.497 63 M N 0.985 120.604 119.600 0.031 0.000 2.561 63 M HA 0.155 4.635 4.480 -0.000 0.000 0.238 63 M C -0.126 176.191 176.300 0.027 0.000 1.131 63 M CA 0.713 56.033 55.300 0.033 0.000 1.046 63 M CB -1.145 31.478 32.600 0.038 0.000 1.532 63 M HN 0.850 nan 8.290 nan 0.000 0.497 64 D N -1.233 119.181 120.400 0.022 0.000 3.103 64 D HA 0.449 5.089 4.640 -0.000 0.000 0.337 64 D C -0.598 175.711 176.300 0.014 0.000 1.356 64 D CA -0.230 53.781 54.000 0.018 0.000 0.951 64 D CB 0.577 41.388 40.800 0.017 0.000 1.438 64 D HN 0.081 nan 8.370 nan 0.000 0.562 65 G N -0.895 107.912 108.800 0.011 0.000 2.406 65 G HA2 0.395 4.355 3.960 -0.000 0.000 0.251 65 G HA3 0.395 4.355 3.960 -0.000 0.000 0.251 65 G C 0.865 175.769 174.900 0.007 0.000 1.271 65 G CA 0.497 45.602 45.100 0.009 0.000 0.859 65 G HN 0.403 nan 8.290 nan 0.000 0.540 66 T N -0.971 113.587 114.554 0.006 0.000 3.081 66 T HA 0.087 4.437 4.350 -0.000 0.000 0.250 66 T C 0.643 175.344 174.700 0.002 0.000 1.100 66 T CA 0.124 62.227 62.100 0.005 0.000 1.038 66 T CB -0.130 68.741 68.868 0.004 0.000 0.962 66 T HN 0.609 nan 8.240 nan 0.000 0.516 67 E N 1.670 121.871 120.200 0.002 0.000 2.465 67 E HA 0.418 4.768 4.350 -0.000 0.000 0.260 67 E C 1.330 177.930 176.600 -0.000 0.000 0.980 67 E CA 0.402 56.803 56.400 0.001 0.000 0.927 67 E CB -0.493 29.208 29.700 0.001 0.000 0.934 67 E HN 0.301 nan 8.360 nan 0.000 0.459 68 G N 2.213 111.012 108.800 -0.002 0.000 2.258 68 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.233 68 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.233 68 G C 0.155 175.052 174.900 -0.005 0.000 1.006 68 G CA -0.051 45.047 45.100 -0.003 0.000 0.620 68 G HN 0.484 nan 8.290 nan 0.000 0.511 69 L N 1.074 122.294 121.223 -0.005 0.000 2.483 69 L HA 0.476 4.816 4.340 -0.000 0.000 0.276 69 L C 0.630 177.494 176.870 -0.010 0.000 1.213 69 L CA -0.156 54.679 54.840 -0.008 0.000 0.843 69 L CB 1.032 43.087 42.059 -0.006 0.000 1.107 69 L HN 0.042 nan 8.230 nan 0.000 0.487 70 V N 2.561 122.466 119.914 -0.014 0.000 2.823 70 V HA 0.367 4.487 4.120 -0.000 0.000 0.312 70 V C -0.004 176.078 176.094 -0.020 0.000 1.072 70 V CA -0.955 61.336 62.300 -0.015 0.000 0.937 70 V CB 2.010 33.824 31.823 -0.016 0.000 1.013 70 V HN 0.654 nan 8.190 nan 0.000 0.430 71 R N 2.382 122.870 120.500 -0.019 0.000 2.404 71 R HA 0.448 4.788 4.340 -0.000 0.000 0.315 71 R C 1.132 177.414 176.300 -0.030 0.000 1.032 71 R CA 0.885 56.971 56.100 -0.023 0.000 0.992 71 R CB 0.052 30.341 30.300 -0.019 0.000 0.959 71 R HN 1.187 nan 8.270 nan 0.000 0.428 72 G N 2.090 110.866 108.800 -0.040 0.000 2.296 72 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.188 72 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.188 72 G C 0.136 175.001 174.900 -0.057 0.000 1.000 72 G CA -0.541 44.530 45.100 -0.049 0.000 0.672 72 G HN 0.564 nan 8.290 nan 0.000 0.483 73 Q N 1.523 121.293 119.800 -0.050 0.000 2.300 73 Q HA 0.374 4.714 4.340 -0.000 0.000 0.280 73 Q C 0.295 176.250 176.000 -0.075 0.000 1.033 73 Q CA 0.333 56.105 55.803 -0.051 0.000 0.903 73 Q CB 0.291 29.007 28.738 -0.037 0.000 1.195 73 Q HN 0.421 nan 8.270 nan 0.000 0.386 74 K N 2.129 122.482 120.400 -0.078 0.000 2.350 74 K HA 0.288 4.608 4.320 -0.000 0.000 0.279 74 K C -1.009 175.531 176.600 -0.099 0.000 1.027 74 K CA -0.354 55.867 56.287 -0.110 0.000 0.969 74 K CB 1.080 33.525 32.500 -0.091 0.000 0.954 74 K HN 0.321 nan 8.250 nan 0.000 0.474 75 V N 4.429 124.253 119.914 -0.149 0.000 2.709 75 V HA 0.365 4.485 4.120 -0.000 0.000 0.308 75 V C -0.418 175.640 176.094 -0.061 0.000 1.062 75 V CA -0.971 61.279 62.300 -0.083 0.000 0.901 75 V CB 1.607 33.395 31.823 -0.058 0.000 1.003 75 V HN 0.599 nan 8.190 nan 0.000 0.425 76 L N 2.705 123.950 121.223 0.036 0.000 2.325 76 L HA 0.561 4.901 4.340 -0.000 0.000 0.278 76 L C -0.401 176.576 176.870 0.178 0.000 1.023 76 L CA -0.546 54.353 54.840 0.099 0.000 0.811 76 L CB 1.836 43.925 42.059 0.049 0.000 1.249 76 L HN 0.660 nan 8.230 nan 0.000 0.431 77 D N 0.329 120.874 120.400 0.241 0.000 2.295 77 D HA 0.089 4.729 4.640 -0.000 0.000 0.248 77 D C 1.079 177.414 176.300 0.058 0.000 1.154 77 D CA -0.240 53.843 54.000 0.139 0.000 0.857 77 D CB 1.448 42.271 40.800 0.037 0.000 1.117 77 D HN 0.511 nan 8.370 nan 0.000 0.468 78 S N 2.856 118.574 115.700 0.030 0.000 2.419 78 S HA 0.031 4.501 4.470 -0.000 0.000 0.233 78 S C 1.874 176.468 174.600 -0.010 0.000 1.016 78 S CA 0.537 58.739 58.200 0.004 0.000 0.974 78 S CB -0.475 62.722 63.200 -0.005 0.000 0.786 78 S HN 1.064 nan 8.310 nan 0.000 0.492 79 G N 0.434 109.224 108.800 -0.016 0.000 2.157 79 G HA2 0.149 4.109 3.960 -0.000 0.000 0.248 79 G HA3 0.149 4.109 3.960 -0.000 0.000 0.248 79 G C 0.089 174.973 174.900 -0.027 0.000 0.979 79 G CA -0.121 44.963 45.100 -0.026 0.000 0.650 79 G HN 1.640 nan 8.290 nan 0.000 0.529 80 A N -0.661 122.145 122.820 -0.024 0.000 2.608 80 A HA 0.878 5.198 4.320 -0.000 0.000 0.292 80 A C -2.801 174.778 177.584 -0.008 0.000 1.066 80 A CA -0.472 51.554 52.037 -0.018 0.000 0.676 80 A CB 1.716 20.706 19.000 -0.017 0.000 1.277 80 A HN 0.299 nan 8.150 nan 0.000 0.413 81 P HA 0.273 nan 4.420 nan 0.000 0.273 81 P C -0.195 177.139 177.300 0.056 0.000 1.250 81 P CA -0.102 63.015 63.100 0.029 0.000 0.793 81 P CB 0.362 32.093 31.700 0.051 0.000 1.011 82 I N 1.094 121.718 120.570 0.091 0.000 2.872 82 I HA -0.070 4.100 4.170 -0.000 0.000 0.287 82 I C 1.357 177.517 176.117 0.073 0.000 1.197 82 I CA 0.850 62.196 61.300 0.077 0.000 1.390 82 I CB -0.420 37.634 38.000 0.090 0.000 1.400 82 I HN 0.133 nan 8.210 nan 0.000 0.544 83 R N 7.568 128.104 120.500 0.061 0.000 2.532 83 R HA 0.743 5.083 4.340 -0.000 0.000 0.295 83 R C -0.448 175.950 176.300 0.163 0.000 0.968 83 R CA -0.772 55.383 56.100 0.092 0.000 0.916 83 R CB 1.991 32.332 30.300 0.068 0.000 1.124 83 R HN 0.603 nan 8.270 nan 0.000 0.463 84 I N -1.073 119.601 120.570 0.172 0.000 2.892 84 I HA 0.615 4.785 4.170 -0.000 0.000 0.306 84 I C -2.598 173.529 176.117 0.016 0.000 1.078 84 I CA -3.217 58.171 61.300 0.147 0.000 1.032 84 I CB 2.616 40.624 38.000 0.013 0.000 1.229 84 I HN 0.375 nan 8.210 nan 0.000 0.435 85 P HA 0.174 nan 4.420 nan 0.000 0.282 85 P C -0.653 176.361 177.300 -0.476 0.000 1.262 85 P CA -0.029 62.619 63.100 -0.754 0.000 0.773 85 P CB 1.425 32.680 31.700 -0.740 0.000 0.879 86 V N 0.551 120.126 119.914 -0.565 0.000 2.769 86 V HA 1.020 5.140 4.120 -0.000 0.000 0.312 86 V C 0.072 175.730 176.094 -0.727 0.000 1.061 86 V CA -0.381 61.540 62.300 -0.632 0.000 0.931 86 V CB 1.368 32.733 31.823 -0.764 0.000 1.010 86 V HN 0.963 nan 8.190 nan 0.000 0.433 87 G N 3.217 111.717 108.800 -0.500 0.000 2.361 87 G HA2 0.214 4.174 3.960 -0.000 0.000 0.331 87 G HA3 0.214 4.174 3.960 -0.000 0.000 0.331 87 G C -2.631 172.424 174.900 0.260 0.000 1.324 87 G CA 0.001 45.058 45.100 -0.072 0.000 0.984 87 G HN 0.637 nan 8.290 nan 0.000 0.586 88 P HA 0.011 nan 4.420 nan 0.000 0.228 88 P C 0.780 178.079 177.300 -0.002 0.000 1.151 88 P CA 0.991 64.146 63.100 0.092 0.000 0.770 88 P CB 0.241 31.994 31.700 0.088 0.000 0.786 89 E N -0.210 119.993 120.200 0.004 0.000 2.494 89 E HA -0.003 4.347 4.350 -0.000 0.000 0.193 89 E C 1.471 178.049 176.600 -0.036 0.000 1.074 89 E CA 0.811 57.193 56.400 -0.031 0.000 0.867 89 E CB -0.490 29.177 29.700 -0.055 0.000 0.924 89 E HN 0.467 nan 8.360 nan 0.000 0.502 90 T N -2.879 111.673 114.554 -0.004 0.000 2.990 90 T HA 0.183 4.533 4.350 -0.000 0.000 0.249 90 T C 1.110 175.832 174.700 0.037 0.000 1.039 90 T CA -0.296 61.810 62.100 0.010 0.000 1.036 90 T CB 0.009 68.889 68.868 0.021 0.000 0.994 90 T HN -0.046 nan 8.240 nan 0.000 0.489 91 L N 2.319 123.543 121.223 0.001 0.000 2.499 91 L HA 0.422 4.762 4.340 -0.000 0.000 0.273 91 L C 1.713 178.577 176.870 -0.009 0.000 1.195 91 L CA 0.957 55.763 54.840 -0.057 0.000 0.882 91 L CB -0.134 41.770 42.059 -0.258 0.000 1.133 91 L HN 0.592 nan 8.230 nan 0.000 0.483 92 G N 2.031 110.855 108.800 0.041 0.000 2.184 92 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.264 92 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.264 92 G C 0.269 175.239 174.900 0.116 0.000 0.975 92 G CA -0.273 44.878 45.100 0.085 0.000 0.642 92 G HN 0.495 nan 8.290 nan 0.000 0.536 93 R N -0.036 120.511 120.500 0.078 0.000 2.445 93 R HA 0.578 4.918 4.340 -0.000 0.000 0.308 93 R C 0.275 176.601 176.300 0.042 0.000 0.961 93 R CA -0.967 55.164 56.100 0.052 0.000 0.862 93 R CB 1.096 31.409 30.300 0.022 0.000 1.144 93 R HN 0.294 nan 8.270 nan 0.000 0.447 94 I N 3.793 124.354 120.570 -0.016 0.000 2.337 94 I HA 0.235 4.405 4.170 -0.000 0.000 0.291 94 I C 0.661 176.782 176.117 0.007 0.000 1.046 94 I CA -0.128 61.160 61.300 -0.020 0.000 1.324 94 I CB 0.862 38.742 38.000 -0.199 0.000 1.409 94 I HN 0.321 nan 8.210 nan 0.000 0.494 95 M N 6.040 125.670 119.600 0.051 0.000 2.478 95 M HA 0.328 4.808 4.480 -0.000 0.000 0.327 95 M C -0.168 176.162 176.300 0.050 0.000 1.187 95 M CA -0.382 54.938 55.300 0.032 0.000 1.022 95 M CB 1.442 34.052 32.600 0.016 0.000 1.629 95 M HN 0.510 nan 8.290 nan 0.000 0.461 96 N N 0.844 119.565 118.700 0.034 0.000 2.458 96 N HA 0.275 5.015 4.740 -0.000 0.000 0.271 96 N C 0.553 176.083 175.510 0.033 0.000 1.210 96 N CA -0.524 52.550 53.050 0.039 0.000 0.978 96 N CB 1.098 39.603 38.487 0.030 0.000 1.206 96 N HN 0.515 nan 8.380 nan 0.000 0.536 97 V N 0.959 120.893 119.914 0.033 0.000 2.324 97 V HA -0.213 3.907 4.120 -0.000 0.000 0.250 97 V C 1.550 177.658 176.094 0.023 0.000 1.060 97 V CA 1.983 64.296 62.300 0.023 0.000 1.042 97 V CB -1.021 30.819 31.823 0.028 0.000 0.650 97 V HN 0.766 nan 8.190 nan 0.000 0.450 98 I N -1.304 119.286 120.570 0.033 0.000 3.862 98 I HA 0.607 4.777 4.170 -0.000 0.000 0.328 98 I C 1.316 177.468 176.117 0.057 0.000 1.474 98 I CA 0.463 61.788 61.300 0.043 0.000 1.215 98 I CB -0.581 37.444 38.000 0.042 0.000 1.183 98 I HN 0.339 nan 8.210 nan 0.000 0.413 99 G N 1.210 110.038 108.800 0.046 0.000 2.196 99 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.268 99 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.268 99 G C 0.037 174.970 174.900 0.055 0.000 0.975 99 G CA 0.272 45.403 45.100 0.051 0.000 0.648 99 G HN 0.690 nan 8.290 nan 0.000 0.538 100 E N 1.048 121.277 120.200 0.049 0.000 2.373 100 E HA 0.331 4.681 4.350 -0.000 0.000 0.267 100 E C -2.477 174.137 176.600 0.024 0.000 1.032 100 E CA -1.694 54.731 56.400 0.042 0.000 0.889 100 E CB 0.743 30.463 29.700 0.034 0.000 0.984 100 E HN 0.126 nan 8.360 nan 0.000 0.425 101 P HA 0.044 nan 4.420 nan 0.000 0.279 101 P C -0.010 177.286 177.300 -0.008 0.000 1.318 101 P CA 0.203 63.305 63.100 0.003 0.000 0.819 101 P CB -0.035 31.669 31.700 0.006 0.000 0.927 102 I N 0.176 120.732 120.570 -0.024 0.000 3.855 102 I HA 0.167 4.337 4.170 -0.000 0.000 0.327 102 I C 0.493 176.557 176.117 -0.089 0.000 1.359 102 I CA 0.056 61.330 61.300 -0.043 0.000 1.142 102 I CB -0.115 37.861 38.000 -0.040 0.000 1.041 102 I HN 0.095 nan 8.210 nan 0.000 0.403 103 D N 0.587 120.935 120.400 -0.088 0.000 2.349 103 D HA -0.079 4.561 4.640 -0.000 0.000 0.214 103 D C 0.689 176.966 176.300 -0.037 0.000 1.063 103 D CA 0.141 54.066 54.000 -0.126 0.000 0.847 103 D CB 0.016 40.743 40.800 -0.122 0.000 0.933 103 D HN 0.349 nan 8.370 nan 0.000 0.513 104 E N -0.121 120.067 120.200 -0.019 0.000 4.005 104 E HA -0.251 4.099 4.350 -0.000 0.000 0.349 104 E C 0.250 176.862 176.600 0.018 0.000 0.635 104 E CA 0.661 57.064 56.400 0.005 0.000 1.238 104 E CB -1.679 28.030 29.700 0.015 0.000 1.698 104 E HN 0.493 nan 8.360 nan 0.000 0.418 105 R N 1.657 122.172 120.500 0.025 0.000 4.860 105 R HA 0.288 4.628 4.340 -0.000 0.000 0.191 105 R C 1.161 177.474 176.300 0.022 0.000 1.936 105 R CA 0.606 56.726 56.100 0.032 0.000 1.609 105 R CB -0.403 29.926 30.300 0.048 0.000 1.392 105 R HN 0.355 nan 8.270 nan 0.000 0.844 106 G N 2.477 111.288 108.800 0.018 0.000 2.633 106 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.263 106 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.263 106 G C -2.285 172.625 174.900 0.017 0.000 1.310 106 G CA -0.816 44.294 45.100 0.017 0.000 0.914 106 G HN 0.338 nan 8.290 nan 0.000 0.569 107 P HA 0.524 nan 4.420 nan 0.000 0.278 107 P C -0.198 177.110 177.300 0.013 0.000 1.258 107 P CA -0.601 62.513 63.100 0.024 0.000 0.811 107 P CB 0.919 32.640 31.700 0.036 0.000 1.063 108 I N 1.928 122.500 120.570 0.004 0.000 2.291 108 I HA 0.154 4.324 4.170 -0.000 0.000 0.292 108 I C 0.911 176.999 176.117 -0.047 0.000 1.064 108 I CA -0.321 60.958 61.300 -0.035 0.000 1.269 108 I CB 0.244 38.200 38.000 -0.074 0.000 1.418 108 I HN 0.101 nan 8.210 nan 0.000 0.485 109 K N 5.916 126.296 120.400 -0.034 0.000 2.155 109 K HA 0.168 4.488 4.320 -0.000 0.000 0.240 109 K C 0.046 176.607 176.600 -0.064 0.000 1.193 109 K CA -0.225 56.049 56.287 -0.022 0.000 1.104 109 K CB -0.086 32.414 32.500 0.001 0.000 1.558 109 K HN 0.579 nan 8.250 nan 0.000 0.313 110 T N -1.622 112.846 114.554 -0.145 0.000 2.929 110 T HA 0.269 4.619 4.350 -0.000 0.000 0.284 110 T C 0.952 175.585 174.700 -0.112 0.000 1.014 110 T CA -1.019 60.951 62.100 -0.216 0.000 1.051 110 T CB 2.112 70.686 68.868 -0.489 0.000 1.028 110 T HN 0.230 nan 8.240 nan 0.000 0.485 111 K N 0.547 120.908 120.400 -0.066 0.000 2.116 111 K HA 0.021 4.341 4.320 -0.000 0.000 0.203 111 K C 0.268 176.904 176.600 0.061 0.000 1.052 111 K CA 0.873 57.171 56.287 0.017 0.000 0.952 111 K CB 0.062 32.577 32.500 0.026 0.000 0.729 111 K HN 0.666 nan 8.250 nan 0.000 0.446 112 Q N -0.783 119.010 119.800 -0.013 0.000 2.421 112 Q HA 0.464 4.804 4.340 -0.000 0.000 0.280 112 Q C -0.950 175.022 176.000 -0.047 0.000 1.085 112 Q CA -0.728 55.123 55.803 0.080 0.000 0.807 112 Q CB 0.793 29.559 28.738 0.047 0.000 1.405 112 Q HN -0.166 nan 8.270 nan 0.000 0.419 113 F N 0.071 119.961 119.950 -0.100 0.000 2.572 113 F HA 0.946 5.473 4.527 -0.000 0.000 0.342 113 F C -0.095 175.638 175.800 -0.112 0.000 1.064 113 F CA -0.921 57.008 58.000 -0.117 0.000 1.008 113 F CB 1.776 40.733 39.000 -0.072 0.000 1.303 113 F HN 0.750 nan 8.300 nan 0.000 0.492 114 A N 0.122 122.989 122.820 0.078 0.000 2.498 114 A HA 0.840 5.160 4.320 -0.000 0.000 0.298 114 A C -1.381 176.231 177.584 0.047 0.000 1.075 114 A CA -0.678 51.375 52.037 0.027 0.000 0.714 114 A CB 1.022 19.992 19.000 -0.050 0.000 1.299 114 A HN 0.974 nan 8.150 nan 0.000 0.407 115 A N 0.923 123.768 122.820 0.043 0.000 2.363 115 A HA 0.523 4.843 4.320 -0.000 0.000 0.270 115 A C 1.091 178.690 177.584 0.025 0.000 1.121 115 A CA 0.012 52.079 52.037 0.050 0.000 0.800 115 A CB -0.319 18.718 19.000 0.060 0.000 1.052 115 A HN 1.571 nan 8.150 nan 0.000 0.493 116 I N -0.417 120.162 120.570 0.016 0.000 2.546 116 I HA -0.020 4.150 4.170 -0.000 0.000 0.255 116 I C 0.413 176.444 176.117 -0.144 0.000 1.163 116 I CA 0.655 61.909 61.300 -0.078 0.000 1.457 116 I CB -0.389 37.542 38.000 -0.114 0.000 1.092 116 I HN 0.521 nan 8.210 nan 0.000 0.434 117 H N 2.412 121.474 119.070 -0.012 0.000 2.562 117 H HA 0.733 5.289 4.556 -0.000 0.000 0.314 117 H C -0.286 175.036 175.328 -0.011 0.000 1.079 117 H CA 0.112 56.153 56.048 -0.011 0.000 1.349 117 H CB 1.434 31.194 29.762 -0.003 0.000 1.432 117 H HN 0.471 nan 8.280 nan 0.000 0.479 118 A N 3.469 126.331 122.820 0.069 0.000 2.567 118 A HA 0.427 4.747 4.320 -0.000 0.000 0.289 118 A C -0.697 176.907 177.584 0.034 0.000 1.177 118 A CA -0.881 51.180 52.037 0.041 0.000 0.694 118 A CB 1.733 20.739 19.000 0.011 0.000 1.292 118 A HN 0.543 nan 8.150 nan 0.000 0.425 119 E N 0.201 120.415 120.200 0.024 0.000 2.248 119 E HA 0.574 4.924 4.350 -0.000 0.000 0.272 119 E C 0.075 176.682 176.600 0.012 0.000 1.008 119 E CA -0.286 56.128 56.400 0.022 0.000 0.856 119 E CB 1.777 31.490 29.700 0.021 0.000 1.120 119 E HN 0.827 nan 8.360 nan 0.000 0.397 120 A N 2.927 125.757 122.820 0.016 0.000 2.340 120 A HA 0.448 4.768 4.320 -0.000 0.000 0.268 120 A C -2.123 175.472 177.584 0.020 0.000 1.100 120 A CA -1.207 50.837 52.037 0.013 0.000 0.803 120 A CB -0.343 18.671 19.000 0.023 0.000 1.043 120 A HN 0.304 nan 8.150 nan 0.000 0.488 121 P HA 0.086 nan 4.420 nan 0.000 0.265 121 P C -0.156 177.166 177.300 0.035 0.000 1.193 121 P CA 0.157 63.265 63.100 0.013 0.000 0.765 121 P CB 0.432 32.130 31.700 -0.003 0.000 0.823 122 E N 1.675 121.898 120.200 0.039 0.000 2.409 122 E HA -0.034 4.316 4.350 -0.000 0.000 0.257 122 E C 0.829 177.489 176.600 0.100 0.000 1.150 122 E CA -0.143 56.303 56.400 0.076 0.000 0.942 122 E CB 0.077 29.816 29.700 0.065 0.000 0.979 122 E HN 0.407 nan 8.360 nan 0.000 0.447 123 F N 2.028 121.979 119.950 0.000 0.000 2.120 123 F HA -0.200 4.327 4.527 -0.000 0.000 0.300 123 F C 1.593 177.392 175.800 -0.002 0.000 1.095 123 F CA 1.431 59.431 58.000 -0.000 0.000 1.249 123 F CB -0.046 38.954 39.000 -0.000 0.000 0.995 123 F HN 0.230 nan 8.300 nan 0.000 0.480 124 V N -1.363 118.541 119.914 -0.016 0.000 3.273 124 V HA 0.147 4.267 4.120 -0.000 0.000 0.379 124 V C 0.336 176.366 176.094 -0.105 0.000 1.256 124 V CA 0.728 62.964 62.300 -0.107 0.000 1.455 124 V CB -1.095 30.736 31.823 0.013 0.000 1.247 124 V HN 0.502 nan 8.190 nan 0.000 0.469 125 E N -0.784 119.334 120.200 -0.138 0.000 2.679 125 E HA 0.274 4.624 4.350 -0.000 0.000 0.221 125 E C 0.290 176.821 176.600 -0.115 0.000 0.928 125 E CA -0.425 55.919 56.400 -0.093 0.000 1.296 125 E CB 0.432 30.103 29.700 -0.048 0.000 1.235 125 E HN 0.476 nan 8.360 nan 0.000 0.622 126 M N 0.741 120.232 119.600 -0.183 0.000 2.202 126 M HA 0.283 4.763 4.480 -0.000 0.000 0.316 126 M C 0.494 176.702 176.300 -0.154 0.000 1.138 126 M CA 0.119 55.321 55.300 -0.163 0.000 1.151 126 M CB 0.977 33.450 32.600 -0.211 0.000 1.422 126 M HN -0.145 nan 8.290 nan 0.000 0.471 127 S N -0.085 115.550 115.700 -0.108 0.000 2.648 127 S HA 0.716 5.186 4.470 -0.000 0.000 0.305 127 S C 0.037 174.593 174.600 -0.074 0.000 1.094 127 S CA -0.751 57.398 58.200 -0.085 0.000 0.983 127 S CB 1.278 64.443 63.200 -0.058 0.000 1.101 127 S HN 0.563 nan 8.310 nan 0.000 0.514 128 V N 0.051 119.929 119.914 -0.059 0.000 3.078 128 V HA 0.567 4.687 4.120 -0.000 0.000 0.344 128 V C -0.315 175.763 176.094 -0.027 0.000 1.409 128 V CA -0.475 61.800 62.300 -0.042 0.000 1.146 128 V CB 0.135 31.933 31.823 -0.043 0.000 1.126 128 V HN 0.599 nan 8.190 nan 0.000 0.513 129 E N 1.953 122.138 120.200 -0.026 0.000 2.259 129 E HA 0.528 4.878 4.350 -0.000 0.000 0.281 129 E C -0.691 175.904 176.600 -0.008 0.000 1.027 129 E CA 0.114 56.504 56.400 -0.016 0.000 0.838 129 E CB 1.740 31.430 29.700 -0.016 0.000 1.066 129 E HN 0.649 nan 8.360 nan 0.000 0.401 130 Q N 2.051 121.850 119.800 -0.002 0.000 2.290 130 Q HA 0.353 4.693 4.340 -0.000 0.000 0.269 130 Q C -0.780 175.229 176.000 0.014 0.000 1.016 130 Q CA -0.331 55.476 55.803 0.007 0.000 0.754 130 Q CB 2.117 30.858 28.738 0.006 0.000 1.247 130 Q HN 0.351 nan 8.270 nan 0.000 0.451 131 E N 2.136 122.350 120.200 0.024 0.000 2.222 131 E HA 0.400 4.749 4.350 -0.000 0.000 0.267 131 E C -0.884 175.745 176.600 0.047 0.000 0.884 131 E CA -0.764 55.655 56.400 0.031 0.000 0.764 131 E CB 2.789 32.506 29.700 0.029 0.000 1.169 131 E HN 0.509 nan 8.360 nan 0.000 0.413 132 I N 3.146 123.747 120.570 0.053 0.000 2.588 132 I HA 0.064 4.234 4.170 -0.000 0.000 0.283 132 I C -1.003 175.158 176.117 0.074 0.000 1.119 132 I CA -0.343 60.998 61.300 0.069 0.000 1.419 132 I CB 0.395 38.441 38.000 0.076 0.000 1.394 132 I HN 0.374 nan 8.210 nan 0.000 0.562 133 L N 8.941 130.219 121.223 0.091 0.000 2.301 133 L HA 0.341 4.681 4.340 -0.000 0.000 0.278 133 L C -0.723 176.188 176.870 0.068 0.000 1.022 133 L CA -0.392 54.505 54.840 0.095 0.000 0.854 133 L CB 1.201 43.344 42.059 0.141 0.000 1.226 133 L HN 0.363 nan 8.230 nan 0.000 0.429 134 V N 4.590 124.536 119.914 0.053 0.000 2.390 134 V HA 0.071 4.191 4.120 -0.000 0.000 0.260 134 V C 1.517 177.625 176.094 0.022 0.000 1.043 134 V CA 0.720 63.038 62.300 0.029 0.000 1.047 134 V CB 0.062 31.906 31.823 0.035 0.000 1.066 134 V HN 0.935 nan 8.190 nan 0.000 0.481 135 T N 0.277 114.822 114.554 -0.016 0.000 3.067 135 T HA 0.200 4.550 4.350 -0.000 0.000 0.261 135 T C 1.565 176.256 174.700 -0.015 0.000 1.110 135 T CA 0.675 62.770 62.100 -0.007 0.000 1.113 135 T CB 0.266 69.102 68.868 -0.053 0.000 0.917 135 T HN 1.313 nan 8.240 nan 0.000 0.499 136 G N 1.422 110.214 108.800 -0.013 0.000 2.175 136 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.244 136 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.244 136 G C -0.056 174.859 174.900 0.026 0.000 0.982 136 G CA -0.091 45.013 45.100 0.007 0.000 0.641 136 G HN 0.549 nan 8.290 nan 0.000 0.527 137 I N 1.189 121.766 120.570 0.012 0.000 2.342 137 I HA 0.291 4.461 4.170 -0.000 0.000 0.291 137 I C 1.505 177.643 176.117 0.036 0.000 1.010 137 I CA -0.516 60.834 61.300 0.083 0.000 1.308 137 I CB 1.117 39.174 38.000 0.096 0.000 1.400 137 I HN 0.056 nan 8.210 nan 0.000 0.488 138 K N 4.022 124.453 120.400 0.051 0.000 1.977 138 K HA -0.126 4.194 4.320 -0.000 0.000 0.218 138 K C 1.828 178.410 176.600 -0.030 0.000 1.051 138 K CA 1.463 57.765 56.287 0.024 0.000 0.953 138 K CB -0.180 32.330 32.500 0.017 0.000 0.727 138 K HN 0.466 nan 8.250 nan 0.000 0.445 139 V N 1.357 121.259 119.914 -0.020 0.000 2.278 139 V HA -0.294 3.826 4.120 -0.000 0.000 0.251 139 V C 2.380 178.439 176.094 -0.058 0.000 1.062 139 V CA 1.901 64.167 62.300 -0.056 0.000 1.038 139 V CB -0.728 31.099 31.823 0.007 0.000 0.646 139 V HN 0.140 nan 8.190 nan 0.000 0.447 140 V N 0.442 120.330 119.914 -0.044 0.000 2.216 140 V HA -0.278 3.842 4.120 -0.000 0.000 0.242 140 V C 2.341 178.362 176.094 -0.122 0.000 1.042 140 V CA 2.440 64.666 62.300 -0.124 0.000 0.991 140 V CB -0.895 30.758 31.823 -0.284 0.000 0.633 140 V HN 0.519 nan 8.190 nan 0.000 0.449 141 D N -0.234 120.099 120.400 -0.111 0.000 2.203 141 D HA -0.186 4.454 4.640 -0.000 0.000 0.199 141 D C 1.800 178.158 176.300 0.097 0.000 0.997 141 D CA 1.380 55.366 54.000 -0.023 0.000 0.863 141 D CB -0.291 40.498 40.800 -0.019 0.000 0.928 141 D HN 0.355 nan 8.370 nan 0.000 0.458 142 L N -0.281 120.950 121.223 0.014 0.000 2.034 142 L HA 0.012 4.352 4.340 -0.000 0.000 0.203 142 L C 2.036 178.967 176.870 0.101 0.000 1.074 142 L CA 1.326 56.186 54.840 0.034 0.000 0.748 142 L CB -0.344 41.536 42.059 -0.298 0.000 0.905 142 L HN -0.023 nan 8.230 nan 0.000 0.439 143 L N -0.674 120.530 121.223 -0.033 0.000 2.185 143 L HA 0.237 4.577 4.340 -0.000 0.000 0.198 143 L C 1.061 177.932 176.870 0.001 0.000 1.079 143 L CA 0.634 55.455 54.840 -0.031 0.000 0.780 143 L CB -0.519 41.506 42.059 -0.057 0.000 0.955 143 L HN 0.224 nan 8.230 nan 0.000 0.462 144 A N 1.237 124.066 122.820 0.015 0.000 2.923 144 A HA 0.460 4.780 4.320 -0.000 0.000 0.343 144 A C -2.482 175.125 177.584 0.038 0.000 1.199 144 A CA -1.351 50.724 52.037 0.063 0.000 0.878 144 A CB -0.369 18.709 19.000 0.131 0.000 1.104 144 A HN -0.048 nan 8.150 nan 0.000 0.483 145 P HA 0.176 nan 4.420 nan 0.000 0.275 145 P C -0.866 176.518 177.300 0.140 0.000 1.227 145 P CA 0.214 63.306 63.100 -0.014 0.000 0.781 145 P CB 0.698 32.415 31.700 0.029 0.000 0.906 146 Y N 0.777 121.111 120.300 0.055 0.000 2.298 146 Y HA 0.455 5.005 4.550 -0.000 0.000 0.329 146 Y C 1.065 176.986 175.900 0.035 0.000 1.293 146 Y CA -1.544 56.584 58.100 0.045 0.000 1.388 146 Y CB 0.102 38.591 38.460 0.049 0.000 1.309 146 Y HN 0.403 nan 8.280 nan 0.000 0.544 147 A N 1.805 124.742 122.820 0.196 0.000 2.318 147 A HA 0.420 4.740 4.320 -0.000 0.000 0.324 147 A C -0.196 177.434 177.584 0.075 0.000 1.170 147 A CA -1.084 51.014 52.037 0.103 0.000 0.810 147 A CB 0.435 19.473 19.000 0.063 0.000 1.198 147 A HN 0.713 nan 8.150 nan 0.000 0.484 148 K N 1.899 122.337 120.400 0.063 0.000 2.245 148 K HA 0.338 4.658 4.320 -0.000 0.000 0.281 148 K C 0.958 177.568 176.600 0.017 0.000 1.079 148 K CA 1.129 57.442 56.287 0.044 0.000 1.000 148 K CB -0.556 31.972 32.500 0.047 0.000 1.038 148 K HN 1.613 nan 8.250 nan 0.000 0.430 149 G N 2.421 111.218 108.800 -0.006 0.000 2.154 149 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.186 149 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.186 149 G C 0.100 174.981 174.900 -0.031 0.000 1.000 149 G CA -0.435 44.650 45.100 -0.025 0.000 0.664 149 G HN 0.858 nan 8.290 nan 0.000 0.513 150 G N -0.035 108.749 108.800 -0.027 0.000 2.420 150 G HA2 0.604 4.564 3.960 -0.000 0.000 0.331 150 G HA3 0.604 4.564 3.960 -0.000 0.000 0.331 150 G C -0.046 174.816 174.900 -0.062 0.000 1.168 150 G CA -0.793 44.291 45.100 -0.027 0.000 0.936 150 G HN 0.333 nan 8.290 nan 0.000 0.479 151 K N 0.982 121.349 120.400 -0.056 0.000 2.412 151 K HA 0.239 4.559 4.320 -0.000 0.000 0.281 151 K C -0.318 176.219 176.600 -0.104 0.000 1.027 151 K CA 0.515 56.754 56.287 -0.080 0.000 0.989 151 K CB 0.909 33.386 32.500 -0.038 0.000 0.935 151 K HN 0.314 nan 8.250 nan 0.000 0.475 152 I N 0.683 121.144 120.570 -0.181 0.000 2.740 152 I HA 0.446 4.616 4.170 -0.000 0.000 0.303 152 I C 0.228 176.208 176.117 -0.227 0.000 1.044 152 I CA -0.922 60.214 61.300 -0.273 0.000 1.064 152 I CB 2.386 40.049 38.000 -0.562 0.000 1.249 152 I HN 0.640 nan 8.210 nan 0.000 0.433 153 G N 5.212 113.900 108.800 -0.187 0.000 2.719 153 G HA2 0.673 4.632 3.960 -0.000 0.000 0.298 153 G HA3 0.673 4.632 3.960 -0.000 0.000 0.298 153 G C -1.277 173.510 174.900 -0.188 0.000 1.433 153 G CA -0.487 44.461 45.100 -0.254 0.000 1.034 153 G HN 0.416 nan 8.290 nan 0.000 0.517 154 L N 2.319 123.395 121.223 -0.246 0.000 2.277 154 L HA 0.487 4.827 4.340 -0.000 0.000 0.284 154 L C -0.708 176.057 176.870 -0.176 0.000 1.028 154 L CA -0.618 54.182 54.840 -0.067 0.000 0.835 154 L CB 0.781 42.844 42.059 0.007 0.000 1.215 154 L HN 0.328 nan 8.230 nan 0.000 0.425 155 F N 1.268 121.197 119.950 -0.034 0.000 2.377 155 F HA 0.824 5.351 4.527 -0.000 0.000 0.328 155 F C 0.981 176.769 175.800 -0.021 0.000 1.094 155 F CA -0.286 57.670 58.000 -0.073 0.000 1.093 155 F CB 1.983 40.914 39.000 -0.115 0.000 1.214 155 F HN 0.469 nan 8.300 nan 0.000 0.518 156 G N 0.063 108.939 108.800 0.127 0.000 2.361 156 G HA2 0.460 4.420 3.960 -0.000 0.000 0.299 156 G HA3 0.460 4.420 3.960 -0.000 0.000 0.299 156 G C -1.011 173.863 174.900 -0.043 0.000 1.544 156 G CA -0.362 44.776 45.100 0.063 0.000 0.860 156 G HN 0.925 nan 8.290 nan 0.000 0.610 157 G N -0.799 107.974 108.800 -0.046 0.000 2.525 157 G HA2 0.704 4.664 3.960 -0.000 0.000 0.287 157 G HA3 0.704 4.664 3.960 -0.000 0.000 0.287 157 G C 0.655 175.624 174.900 0.115 0.000 1.350 157 G CA 0.354 45.395 45.100 -0.100 0.000 1.039 157 G HN 1.795 nan 8.290 nan 0.000 0.513 158 A N -0.630 122.334 122.820 0.239 0.000 2.545 158 A HA 0.560 4.880 4.320 -0.000 0.000 0.297 158 A C 1.057 178.717 177.584 0.126 0.000 1.340 158 A CA 0.697 52.883 52.037 0.248 0.000 1.016 158 A CB -1.118 18.025 19.000 0.239 0.000 1.122 158 A HN 2.436 nan 8.150 nan 0.000 0.537 159 G N 0.946 109.811 108.800 0.109 0.000 3.043 159 G HA2 0.164 4.124 3.960 -0.000 0.000 0.239 159 G HA3 0.164 4.124 3.960 -0.000 0.000 0.239 159 G C 0.089 175.047 174.900 0.097 0.000 1.042 159 G CA 0.208 45.356 45.100 0.081 0.000 1.189 159 G HN 2.024 nan 8.290 nan 0.000 0.578 160 V N -2.617 117.368 119.914 0.117 0.000 3.157 160 V HA 0.743 4.862 4.120 -0.000 0.000 0.253 160 V C 1.601 177.813 176.094 0.196 0.000 1.637 160 V CA 1.217 63.593 62.300 0.127 0.000 1.058 160 V CB 0.422 32.297 31.823 0.086 0.000 0.917 160 V HN 2.467 nan 8.190 nan 0.000 0.417 161 G N 1.301 110.207 108.800 0.177 0.000 2.145 161 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.145 161 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.145 161 G C 0.471 175.487 174.900 0.193 0.000 1.017 161 G CA 0.325 45.548 45.100 0.205 0.000 0.682 161 G HN 0.436 nan 8.290 nan 0.000 0.504 162 K N -0.225 120.267 120.400 0.153 0.000 1.985 162 K HA -0.056 4.264 4.320 -0.000 0.000 0.210 162 K C 2.553 179.232 176.600 0.132 0.000 1.047 162 K CA 1.905 58.274 56.287 0.136 0.000 0.932 162 K CB -0.339 32.226 32.500 0.108 0.000 0.716 162 K HN 0.285 nan 8.250 nan 0.000 0.439 163 T N 1.412 116.041 114.554 0.126 0.000 2.746 163 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 163 T C 2.099 176.878 174.700 0.130 0.000 1.039 163 T CA 1.274 63.452 62.100 0.130 0.000 1.142 163 T CB -0.231 68.712 68.868 0.124 0.000 0.866 163 T HN -0.052 nan 8.240 nan 0.000 0.444 164 V N 1.483 121.484 119.914 0.145 0.000 2.407 164 V HA -0.094 4.026 4.120 -0.000 0.000 0.248 164 V C 2.366 178.555 176.094 0.160 0.000 1.055 164 V CA 1.179 63.584 62.300 0.175 0.000 1.049 164 V CB -0.691 31.266 31.823 0.222 0.000 0.662 164 V HN 0.312 nan 8.190 nan 0.000 0.455 165 L N 0.028 121.366 121.223 0.192 0.000 2.027 165 L HA -0.067 4.273 4.340 -0.000 0.000 0.206 165 L C 2.146 179.043 176.870 0.045 0.000 1.074 165 L CA 1.734 56.664 54.840 0.150 0.000 0.745 165 L CB -0.567 41.643 42.059 0.252 0.000 0.898 165 L HN 0.268 nan 8.230 nan 0.000 0.433 166 I N -1.200 119.417 120.570 0.079 0.000 2.361 166 I HA -0.300 3.870 4.170 -0.000 0.000 0.251 166 I C 2.093 178.183 176.117 -0.044 0.000 1.133 166 I CA 1.069 62.401 61.300 0.054 0.000 1.413 166 I CB 0.058 38.121 38.000 0.106 0.000 1.073 166 I HN 0.310 nan 8.210 nan 0.000 0.424 167 M N -0.085 119.502 119.600 -0.022 0.000 2.175 167 M HA -0.185 4.295 4.480 -0.000 0.000 0.264 167 M C 2.142 178.359 176.300 -0.138 0.000 1.063 167 M CA 1.497 56.748 55.300 -0.081 0.000 1.119 167 M CB -1.294 31.294 32.600 -0.020 0.000 1.377 167 M HN 0.204 nan 8.290 nan 0.000 0.415 168 E N 1.027 121.132 120.200 -0.159 0.000 2.051 168 E HA -0.099 4.251 4.350 -0.000 0.000 0.192 168 E C 2.035 178.500 176.600 -0.225 0.000 0.991 168 E CA 1.262 57.495 56.400 -0.277 0.000 0.799 168 E CB -0.425 28.888 29.700 -0.645 0.000 0.748 168 E HN 0.491 nan 8.360 nan 0.000 0.449 169 L N 0.109 121.235 121.223 -0.162 0.000 2.083 169 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 169 L C 2.501 179.310 176.870 -0.101 0.000 1.083 169 L CA 1.002 55.811 54.840 -0.053 0.000 0.752 169 L CB -0.455 41.661 42.059 0.094 0.000 0.899 169 L HN 0.219 nan 8.230 nan 0.000 0.433 170 I N 0.043 120.441 120.570 -0.286 0.000 2.163 170 I HA -0.308 3.862 4.170 -0.000 0.000 0.240 170 I C 2.366 178.381 176.117 -0.170 0.000 1.081 170 I CA 1.637 62.685 61.300 -0.420 0.000 1.353 170 I CB -0.438 37.238 38.000 -0.541 0.000 1.054 170 I HN 0.348 nan 8.210 nan 0.000 0.407 171 N N 1.334 119.948 118.700 -0.144 0.000 2.060 171 N HA -0.238 4.502 4.740 -0.000 0.000 0.195 171 N C 1.544 177.026 175.510 -0.046 0.000 1.028 171 N CA 2.143 55.141 53.050 -0.087 0.000 0.861 171 N CB -0.063 38.369 38.487 -0.091 0.000 1.029 171 N HN 0.242 nan 8.380 nan 0.000 0.428 172 N N -0.348 118.323 118.700 -0.047 0.000 2.081 172 N HA -0.060 4.680 4.740 -0.000 0.000 0.191 172 N C 1.824 177.357 175.510 0.038 0.000 1.053 172 N CA 1.540 54.585 53.050 -0.009 0.000 0.846 172 N CB -0.837 37.638 38.487 -0.020 0.000 1.032 172 N HN 0.101 nan 8.380 nan 0.000 0.431 173 V N 1.638 121.593 119.914 0.067 0.000 2.244 173 V HA -0.106 4.014 4.120 -0.000 0.000 0.244 173 V C 2.450 178.643 176.094 0.164 0.000 1.042 173 V CA 1.856 64.234 62.300 0.130 0.000 1.006 173 V CB -1.277 30.657 31.823 0.186 0.000 0.641 173 V HN 0.317 nan 8.190 nan 0.000 0.446 174 A N -0.172 122.750 122.820 0.170 0.000 1.948 174 A HA -0.278 4.042 4.320 -0.000 0.000 0.220 174 A C 2.291 179.982 177.584 0.179 0.000 1.177 174 A CA 2.267 54.427 52.037 0.205 0.000 0.636 174 A CB -0.467 18.617 19.000 0.140 0.000 0.815 174 A HN 0.597 nan 8.150 nan 0.000 0.449 175 K N -0.597 119.866 120.400 0.104 0.000 1.991 175 K HA 0.081 4.401 4.320 -0.000 0.000 0.207 175 K C 1.312 177.971 176.600 0.098 0.000 1.045 175 K CA 1.011 57.346 56.287 0.080 0.000 0.937 175 K CB -0.223 32.299 32.500 0.036 0.000 0.720 175 K HN 0.345 nan 8.250 nan 0.000 0.438 176 A N 2.275 125.153 122.820 0.097 0.000 3.135 176 A HA 0.039 4.359 4.320 -0.000 0.000 0.253 176 A C -0.833 176.837 177.584 0.143 0.000 1.638 176 A CA -0.061 52.028 52.037 0.087 0.000 1.295 176 A CB -0.848 18.190 19.000 0.063 0.000 1.106 176 A HN 0.312 nan 8.150 nan 0.000 0.648 177 H N -0.334 118.764 119.070 0.045 0.000 2.589 177 H HA 0.541 5.097 4.556 -0.000 0.000 0.335 177 H C 0.314 175.653 175.328 0.018 0.000 1.019 177 H CA -0.223 55.852 56.048 0.044 0.000 1.213 177 H CB 1.276 31.085 29.762 0.079 0.000 1.472 177 H HN 0.211 nan 8.280 nan 0.000 0.508 178 G N 3.301 111.840 108.800 -0.434 0.000 2.621 178 G HA2 0.523 4.483 3.960 -0.000 0.000 0.306 178 G HA3 0.523 4.483 3.960 -0.000 0.000 0.306 178 G C 0.055 174.479 174.900 -0.793 0.000 0.893 178 G CA 0.362 45.197 45.100 -0.440 0.000 1.486 178 G HN 1.011 nan 8.290 nan 0.000 0.477 179 G N 1.182 109.516 108.800 -0.776 0.000 2.357 179 G HA2 0.209 4.169 3.960 -0.000 0.000 0.289 179 G HA3 0.209 4.169 3.960 -0.000 0.000 0.289 179 G C -1.216 173.533 174.900 -0.250 0.000 1.302 179 G CA -1.059 43.660 45.100 -0.635 0.000 0.936 179 G HN 0.327 nan 8.290 nan 0.000 0.513 180 Y N 0.094 120.347 120.300 -0.078 0.000 2.408 180 Y HA 0.843 5.393 4.550 -0.000 0.000 0.324 180 Y C 1.086 177.046 175.900 0.101 0.000 1.302 180 Y CA -1.099 56.929 58.100 -0.121 0.000 1.384 180 Y CB 1.632 39.705 38.460 -0.644 0.000 1.367 180 Y HN 0.624 nan 8.280 nan 0.000 0.525 181 S N -0.467 115.378 115.700 0.241 0.000 2.579 181 S HA 0.774 5.244 4.470 -0.000 0.000 0.272 181 S C -1.499 173.238 174.600 0.229 0.000 1.141 181 S CA -0.799 57.522 58.200 0.201 0.000 0.843 181 S CB 2.250 65.613 63.200 0.272 0.000 1.122 181 S HN 0.260 nan 8.310 nan 0.000 0.468 182 V N 2.071 122.116 119.914 0.217 0.000 2.841 182 V HA 0.631 4.751 4.120 -0.000 0.000 0.310 182 V C -1.612 174.638 176.094 0.260 0.000 1.090 182 V CA -0.654 61.784 62.300 0.230 0.000 0.930 182 V CB 1.781 33.710 31.823 0.176 0.000 1.014 182 V HN 0.845 nan 8.190 nan 0.000 0.425 183 F N 3.301 123.310 119.950 0.099 0.000 2.507 183 F HA 0.822 5.349 4.527 -0.000 0.000 0.328 183 F C 0.021 175.739 175.800 -0.137 0.000 1.136 183 F CA -0.522 57.512 58.000 0.056 0.000 0.930 183 F CB 1.499 40.547 39.000 0.080 0.000 1.166 183 F HN 0.608 nan 8.300 nan 0.000 0.436 184 A N 4.071 126.609 122.820 -0.470 0.000 2.304 184 A HA 0.663 4.983 4.320 -0.000 0.000 0.314 184 A C -0.114 177.128 177.584 -0.570 0.000 1.187 184 A CA -0.370 51.418 52.037 -0.416 0.000 0.810 184 A CB 0.565 19.388 19.000 -0.294 0.000 1.183 184 A HN 1.063 nan 8.150 nan 0.000 0.487 185 G N 1.880 110.328 108.800 -0.587 0.000 2.571 185 G HA2 0.488 4.448 3.960 -0.000 0.000 0.327 185 G HA3 0.488 4.448 3.960 -0.000 0.000 0.327 185 G C -0.391 174.440 174.900 -0.114 0.000 1.008 185 G CA -0.163 44.743 45.100 -0.323 0.000 1.136 185 G HN 0.675 nan 8.290 nan 0.000 0.444 186 V N 2.336 122.193 119.914 -0.095 0.000 2.432 186 V HA 0.511 4.631 4.120 -0.000 0.000 0.275 186 V C 1.369 177.480 176.094 0.028 0.000 1.043 186 V CA 0.256 62.537 62.300 -0.031 0.000 0.925 186 V CB 0.928 32.723 31.823 -0.046 0.000 0.985 186 V HN 1.104 nan 8.190 nan 0.000 0.466 187 G N 3.643 112.471 108.800 0.047 0.000 2.385 187 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.284 187 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.284 187 G C 0.116 175.054 174.900 0.064 0.000 0.899 187 G CA 0.421 45.553 45.100 0.053 0.000 1.204 187 G HN 0.668 nan 8.290 nan 0.000 0.486 188 E N -0.720 119.536 120.200 0.093 0.000 2.493 188 E HA 0.429 4.779 4.350 -0.000 0.000 0.243 188 E C 0.727 177.385 176.600 0.097 0.000 0.875 188 E CA -1.028 55.431 56.400 0.097 0.000 0.872 188 E CB 0.740 30.520 29.700 0.133 0.000 1.476 188 E HN 0.394 nan 8.360 nan 0.000 0.394 189 R N 0.504 121.059 120.500 0.092 0.000 2.296 189 R HA 0.211 4.551 4.340 -0.000 0.000 0.323 189 R C 0.965 177.308 176.300 0.071 0.000 1.067 189 R CA 0.080 56.221 56.100 0.069 0.000 0.946 189 R CB 0.180 30.515 30.300 0.058 0.000 0.991 189 R HN 0.412 nan 8.270 nan 0.000 0.448 190 T N 2.213 116.790 114.554 0.038 0.000 2.737 190 T HA -0.231 4.119 4.350 -0.000 0.000 0.269 190 T C 1.779 176.452 174.700 -0.045 0.000 1.040 190 T CA 1.360 63.449 62.100 -0.018 0.000 1.142 190 T CB -0.163 68.685 68.868 -0.033 0.000 0.861 190 T HN 0.560 nan 8.240 nan 0.000 0.456 191 R N 1.180 121.676 120.500 -0.006 0.000 2.113 191 R HA -0.199 4.141 4.340 -0.000 0.000 0.244 191 R C 2.235 178.534 176.300 -0.002 0.000 1.142 191 R CA 2.052 58.152 56.100 -0.000 0.000 0.953 191 R CB -0.209 30.107 30.300 0.025 0.000 0.860 191 R HN 0.540 nan 8.270 nan 0.000 0.438 192 E N -0.994 119.224 120.200 0.030 0.000 2.077 192 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 192 E C 1.965 178.568 176.600 0.004 0.000 0.989 192 E CA 1.111 57.540 56.400 0.049 0.000 0.800 192 E CB -0.284 29.482 29.700 0.110 0.000 0.746 192 E HN 0.621 nan 8.360 nan 0.000 0.452 193 G N 1.493 110.272 108.800 -0.036 0.000 2.446 193 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.217 193 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.217 193 G C 1.427 176.134 174.900 -0.322 0.000 1.168 193 G CA 1.254 46.184 45.100 -0.284 0.000 0.771 193 G HN 0.246 nan 8.290 nan 0.000 0.551 194 N N 0.717 119.261 118.700 -0.260 0.000 2.120 194 N HA -0.098 4.642 4.740 -0.000 0.000 0.188 194 N C 1.698 177.060 175.510 -0.245 0.000 1.024 194 N CA 1.824 54.713 53.050 -0.267 0.000 0.852 194 N CB -0.210 38.194 38.487 -0.139 0.000 1.003 194 N HN 0.213 nan 8.380 nan 0.000 0.424 195 D N -0.033 120.309 120.400 -0.096 0.000 2.092 195 D HA -0.148 4.492 4.640 -0.000 0.000 0.193 195 D C 1.882 178.146 176.300 -0.059 0.000 0.994 195 D CA 0.817 54.800 54.000 -0.029 0.000 0.828 195 D CB -0.610 40.192 40.800 0.003 0.000 0.963 195 D HN 0.245 nan 8.370 nan 0.000 0.450 196 L N -0.081 121.090 121.223 -0.086 0.000 2.012 196 L HA -0.212 4.127 4.340 -0.000 0.000 0.210 196 L C 2.188 179.008 176.870 -0.084 0.000 1.073 196 L CA 1.617 56.384 54.840 -0.121 0.000 0.748 196 L CB -0.923 41.004 42.059 -0.220 0.000 0.891 196 L HN 0.093 nan 8.230 nan 0.000 0.431 197 Y N -0.034 120.116 120.300 -0.251 0.000 2.081 197 Y HA -0.319 4.231 4.550 -0.000 0.000 0.280 197 Y C 2.754 178.563 175.900 -0.151 0.000 1.163 197 Y CA 2.397 60.352 58.100 -0.243 0.000 1.135 197 Y CB -0.648 37.578 38.460 -0.389 0.000 0.970 197 Y HN 0.416 nan 8.280 nan 0.000 0.498 198 H N -0.026 118.950 119.070 -0.157 0.000 2.428 198 H HA -0.048 4.508 4.556 -0.000 0.000 0.296 198 H C 2.126 177.349 175.328 -0.175 0.000 1.062 198 H CA 1.566 57.469 56.048 -0.242 0.000 1.350 198 H CB -0.296 29.392 29.762 -0.124 0.000 1.403 198 H HN 0.564 nan 8.280 nan 0.000 0.533 199 E N 0.136 120.328 120.200 -0.014 0.000 2.106 199 E HA -0.097 4.253 4.350 -0.000 0.000 0.192 199 E C 2.108 178.669 176.600 -0.065 0.000 0.984 199 E CA 0.660 57.036 56.400 -0.040 0.000 0.806 199 E CB 0.008 29.681 29.700 -0.046 0.000 0.750 199 E HN 0.385 nan 8.360 nan 0.000 0.458 200 M N 0.229 119.779 119.600 -0.084 0.000 2.254 200 M HA -0.090 4.390 4.480 -0.000 0.000 0.265 200 M C 2.228 178.479 176.300 -0.081 0.000 1.066 200 M CA 1.085 56.341 55.300 -0.074 0.000 1.123 200 M CB -0.116 32.449 32.600 -0.057 0.000 1.388 200 M HN 0.121 nan 8.290 nan 0.000 0.425 201 I N 0.010 120.501 120.570 -0.133 0.000 2.226 201 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 201 I C 2.398 178.462 176.117 -0.090 0.000 1.100 201 I CA 1.058 62.274 61.300 -0.140 0.000 1.374 201 I CB -0.451 37.415 38.000 -0.224 0.000 1.057 201 I HN 0.269 nan 8.210 nan 0.000 0.413 202 E N 0.787 120.940 120.200 -0.078 0.000 2.077 202 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 202 E C 2.192 178.764 176.600 -0.047 0.000 0.989 202 E CA 1.719 58.083 56.400 -0.060 0.000 0.800 202 E CB -0.286 29.382 29.700 -0.053 0.000 0.746 202 E HN 0.516 nan 8.360 nan 0.000 0.452 203 S N -0.687 114.987 115.700 -0.044 0.000 2.650 203 S HA 0.198 4.668 4.470 -0.000 0.000 0.219 203 S C 1.554 176.140 174.600 -0.024 0.000 0.960 203 S CA 0.534 58.715 58.200 -0.032 0.000 0.925 203 S CB 0.054 63.235 63.200 -0.032 0.000 0.775 203 S HN 0.320 nan 8.310 nan 0.000 0.525 204 G N 0.797 109.579 108.800 -0.031 0.000 2.166 204 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.260 204 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.260 204 G C 0.685 175.579 174.900 -0.010 0.000 0.986 204 G CA 0.409 45.495 45.100 -0.022 0.000 0.683 204 G HN 0.611 nan 8.290 nan 0.000 0.527 205 V N -0.275 119.633 119.914 -0.009 0.000 2.667 205 V HA 0.164 4.284 4.120 -0.000 0.000 0.252 205 V C 1.476 177.578 176.094 0.014 0.000 1.065 205 V CA 1.714 64.022 62.300 0.013 0.000 1.083 205 V CB -0.083 31.749 31.823 0.014 0.000 0.692 205 V HN 0.510 nan 8.190 nan 0.000 0.468 206 I N 1.190 121.756 120.570 -0.006 0.000 2.439 206 I HA 0.330 4.500 4.170 -0.000 0.000 0.283 206 I C -0.559 175.545 176.117 -0.021 0.000 1.023 206 I CA -0.190 61.110 61.300 0.001 0.000 1.100 206 I CB 1.427 39.436 38.000 0.015 0.000 1.238 206 I HN 0.088 nan 8.210 nan 0.000 0.445 207 N N 6.925 125.620 118.700 -0.009 0.000 2.425 207 N HA 0.337 5.077 4.740 -0.000 0.000 0.268 207 N C 0.373 175.881 175.510 -0.003 0.000 0.991 207 N CA -0.307 52.735 53.050 -0.013 0.000 0.931 207 N CB 1.798 40.280 38.487 -0.008 0.000 1.130 207 N HN 0.602 nan 8.380 nan 0.000 0.493 208 L N 2.387 123.605 121.223 -0.009 0.000 2.591 208 L HA 0.077 4.417 4.340 -0.000 0.000 0.228 208 L C 1.572 178.447 176.870 0.009 0.000 1.133 208 L CA 0.373 55.219 54.840 0.011 0.000 0.880 208 L CB -0.012 42.050 42.059 0.006 0.000 1.033 208 L HN 0.357 nan 8.230 nan 0.000 0.450 209 K N 0.040 120.440 120.400 0.001 0.000 2.494 209 K HA 0.154 4.474 4.320 -0.000 0.000 0.244 209 K C 0.309 176.911 176.600 0.003 0.000 1.137 209 K CA 0.166 56.454 56.287 0.001 0.000 0.872 209 K CB -0.177 32.321 32.500 -0.004 0.000 1.456 209 K HN 0.166 nan 8.250 nan 0.000 0.435 210 D N 0.760 121.160 120.400 0.000 0.000 2.329 210 D HA 0.227 4.867 4.640 -0.000 0.000 0.246 210 D C -0.495 175.806 176.300 0.002 0.000 1.111 210 D CA -0.345 53.657 54.000 0.002 0.000 0.941 210 D CB 1.311 42.113 40.800 0.002 0.000 1.169 210 D HN 0.076 nan 8.370 nan 0.000 0.441 211 A N 1.363 124.185 122.820 0.003 0.000 2.666 211 A HA 0.364 4.684 4.320 -0.000 0.000 0.301 211 A C 0.721 178.307 177.584 0.002 0.000 1.470 211 A CA -0.304 51.732 52.037 -0.002 0.000 1.159 211 A CB -0.709 18.292 19.000 0.001 0.000 1.116 211 A HN 0.629 nan 8.150 nan 0.000 0.548 212 T N -1.997 112.556 114.554 -0.001 0.000 3.253 212 T HA 0.192 4.542 4.350 -0.000 0.000 0.299 212 T C 0.358 175.060 174.700 0.004 0.000 0.927 212 T CA 0.064 62.169 62.100 0.009 0.000 0.926 212 T CB -0.270 68.604 68.868 0.010 0.000 1.183 212 T HN 0.347 nan 8.240 nan 0.000 0.557 213 S N 1.876 117.565 115.700 -0.019 0.000 2.562 213 S HA 0.346 4.816 4.470 -0.000 0.000 0.281 213 S C 0.808 175.369 174.600 -0.065 0.000 1.333 213 S CA -0.519 57.666 58.200 -0.025 0.000 1.052 213 S CB 1.491 64.675 63.200 -0.026 0.000 0.884 213 S HN 0.374 nan 8.310 nan 0.000 0.506 214 K N 0.789 121.184 120.400 -0.008 0.000 2.436 214 K HA 0.201 4.521 4.320 -0.000 0.000 0.198 214 K C -0.354 176.264 176.600 0.030 0.000 1.174 214 K CA 0.154 56.458 56.287 0.028 0.000 0.951 214 K CB 0.577 33.176 32.500 0.166 0.000 1.040 214 K HN 0.338 nan 8.250 nan 0.000 0.536 215 V N 2.355 122.312 119.914 0.071 0.000 2.432 215 V HA 0.375 4.495 4.120 -0.000 0.000 0.275 215 V C -0.309 175.853 176.094 0.113 0.000 1.043 215 V CA -0.706 61.671 62.300 0.129 0.000 0.925 215 V CB 1.084 32.996 31.823 0.149 0.000 0.985 215 V HN 0.200 nan 8.190 nan 0.000 0.466 216 A N 6.673 129.586 122.820 0.155 0.000 2.305 216 A HA 0.855 5.175 4.320 -0.000 0.000 0.322 216 A C -0.714 176.984 177.584 0.191 0.000 1.187 216 A CA -0.532 51.602 52.037 0.161 0.000 0.825 216 A CB 0.665 19.799 19.000 0.223 0.000 1.164 216 A HN 0.784 nan 8.150 nan 0.000 0.498 217 L N 1.976 123.304 121.223 0.175 0.000 2.330 217 L HA 0.764 5.104 4.340 -0.000 0.000 0.271 217 L C -0.912 176.048 176.870 0.151 0.000 1.013 217 L CA -0.957 54.014 54.840 0.217 0.000 0.816 217 L CB 2.046 44.298 42.059 0.322 0.000 1.287 217 L HN 0.430 nan 8.230 nan 0.000 0.435 218 V N 1.760 121.716 119.914 0.069 0.000 2.777 218 V HA 0.489 4.609 4.120 -0.000 0.000 0.306 218 V C -1.491 174.537 176.094 -0.110 0.000 1.112 218 V CA -0.699 61.612 62.300 0.019 0.000 0.917 218 V CB 2.094 33.889 31.823 -0.046 0.000 1.018 218 V HN 0.487 nan 8.190 nan 0.000 0.426 219 Y N 1.050 121.365 120.300 0.025 0.000 2.562 219 Y HA 0.808 5.358 4.550 -0.000 0.000 0.345 219 Y C 0.470 176.377 175.900 0.012 0.000 1.045 219 Y CA -0.605 57.514 58.100 0.031 0.000 1.028 219 Y CB 2.946 41.418 38.460 0.019 0.000 1.297 219 Y HN 0.753 nan 8.280 nan 0.000 0.463 220 G N 2.651 111.561 108.800 0.184 0.000 3.627 220 G HA2 0.253 4.213 3.960 -0.000 0.000 0.295 220 G HA3 0.253 4.213 3.960 -0.000 0.000 0.295 220 G C -1.233 173.733 174.900 0.110 0.000 2.784 220 G CA -0.660 44.504 45.100 0.107 0.000 0.644 220 G HN 0.250 nan 8.290 nan 0.000 0.341 221 Q N 0.996 120.874 119.800 0.129 0.000 2.370 221 Q HA 0.332 4.672 4.340 -0.000 0.000 0.186 221 Q C 1.905 177.945 176.000 0.065 0.000 1.093 221 Q CA -0.571 55.299 55.803 0.112 0.000 1.142 221 Q CB 0.586 29.389 28.738 0.109 0.000 1.175 221 Q HN 0.551 nan 8.270 nan 0.000 0.625 222 M N 1.365 120.998 119.600 0.054 0.000 2.629 222 M HA -0.133 4.347 4.480 -0.000 0.000 0.257 222 M C 1.108 177.423 176.300 0.026 0.000 1.071 222 M CA 0.743 56.063 55.300 0.034 0.000 1.077 222 M CB -0.371 32.246 32.600 0.028 0.000 1.423 222 M HN 0.479 nan 8.290 nan 0.000 0.508 223 N N -0.126 118.591 118.700 0.028 0.000 2.353 223 N HA 0.009 4.748 4.740 -0.000 0.000 0.185 223 N C -0.038 175.484 175.510 0.020 0.000 1.098 223 N CA 0.336 53.398 53.050 0.020 0.000 0.872 223 N CB 0.100 38.597 38.487 0.016 0.000 0.970 223 N HN 0.213 nan 8.380 nan 0.000 0.467 224 E N 1.572 121.788 120.200 0.026 0.000 2.283 224 E HA 0.422 4.772 4.350 -0.000 0.000 0.271 224 E C -2.287 174.324 176.600 0.019 0.000 1.031 224 E CA -2.117 54.298 56.400 0.025 0.000 0.868 224 E CB 0.796 30.516 29.700 0.034 0.000 1.094 224 E HN 0.133 nan 8.360 nan 0.000 0.401 225 P HA 0.024 nan 4.420 nan 0.000 0.270 225 P C -1.685 175.621 177.300 0.010 0.000 1.223 225 P CA -0.840 62.267 63.100 0.011 0.000 0.785 225 P CB 0.131 31.838 31.700 0.012 0.000 0.923 226 P HA -0.246 nan 4.420 nan 0.000 0.217 226 P C 1.445 178.747 177.300 0.002 0.000 1.151 226 P CA 2.224 65.320 63.100 -0.008 0.000 0.849 226 P CB -0.584 31.105 31.700 -0.019 0.000 0.787 227 G N 0.313 109.120 108.800 0.012 0.000 2.418 227 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.217 227 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.217 227 G C 1.852 176.776 174.900 0.040 0.000 1.158 227 G CA 1.145 46.261 45.100 0.027 0.000 0.771 227 G HN 0.403 nan 8.290 nan 0.000 0.545 228 A N 0.725 123.565 122.820 0.034 0.000 1.873 228 A HA 0.057 4.377 4.320 -0.000 0.000 0.215 228 A C 2.430 180.039 177.584 0.042 0.000 1.186 228 A CA 1.508 53.567 52.037 0.037 0.000 0.616 228 A CB -0.363 18.657 19.000 0.034 0.000 0.823 228 A HN 0.332 nan 8.150 nan 0.000 0.442 229 R N -0.517 120.006 120.500 0.039 0.000 2.120 229 R HA -0.039 4.301 4.340 -0.000 0.000 0.234 229 R C 2.179 178.531 176.300 0.085 0.000 1.123 229 R CA 1.055 57.181 56.100 0.044 0.000 0.975 229 R CB -0.356 29.959 30.300 0.025 0.000 0.866 229 R HN 0.496 nan 8.270 nan 0.000 0.446 230 A N 0.381 123.257 122.820 0.093 0.000 2.167 230 A HA -0.016 4.304 4.320 -0.000 0.000 0.214 230 A C 1.663 179.407 177.584 0.268 0.000 1.151 230 A CA 0.844 52.996 52.037 0.191 0.000 0.735 230 A CB 0.120 19.153 19.000 0.054 0.000 0.802 230 A HN 0.056 nan 8.150 nan 0.000 0.467 231 R N -1.235 119.336 120.500 0.118 0.000 2.342 231 R HA 0.064 4.404 4.340 -0.000 0.000 0.204 231 R C 1.956 178.236 176.300 -0.033 0.000 0.882 231 R CA 1.223 57.348 56.100 0.042 0.000 1.041 231 R CB -1.023 29.304 30.300 0.045 0.000 1.188 231 R HN 0.474 nan 8.270 nan 0.000 0.598 232 V N -0.209 119.695 119.914 -0.016 0.000 2.370 232 V HA -0.209 3.911 4.120 -0.000 0.000 0.252 232 V C 2.300 178.326 176.094 -0.114 0.000 1.068 232 V CA 2.066 64.337 62.300 -0.049 0.000 1.061 232 V CB -1.329 30.477 31.823 -0.028 0.000 0.656 232 V HN 0.147 nan 8.190 nan 0.000 0.455 233 A N 0.864 123.595 122.820 -0.148 0.000 1.877 233 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 233 A C 2.280 179.699 177.584 -0.274 0.000 1.186 233 A CA 2.196 54.085 52.037 -0.247 0.000 0.620 233 A CB -0.639 18.142 19.000 -0.365 0.000 0.822 233 A HN 0.571 nan 8.150 nan 0.000 0.443 234 L N -0.781 120.272 121.223 -0.284 0.000 2.046 234 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 234 L C 2.826 179.579 176.870 -0.195 0.000 1.077 234 L CA 1.766 56.442 54.840 -0.275 0.000 0.747 234 L CB -1.167 40.705 42.059 -0.313 0.000 0.896 234 L HN 0.368 nan 8.230 nan 0.000 0.432 235 T N -0.062 114.402 114.554 -0.150 0.000 2.607 235 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 235 T C 1.832 176.466 174.700 -0.111 0.000 1.049 235 T CA 1.641 63.677 62.100 -0.107 0.000 1.162 235 T CB -0.758 68.068 68.868 -0.070 0.000 0.863 235 T HN 0.567 nan 8.240 nan 0.000 0.424 236 G N 1.295 110.022 108.800 -0.122 0.000 2.442 236 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.219 236 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.219 236 G C 1.546 176.378 174.900 -0.113 0.000 1.141 236 G CA 0.948 45.982 45.100 -0.111 0.000 0.763 236 G HN 0.420 nan 8.290 nan 0.000 0.554 237 L N 1.063 122.197 121.223 -0.148 0.000 1.994 237 L HA -0.020 4.320 4.340 -0.000 0.000 0.208 237 L C 2.838 179.639 176.870 -0.115 0.000 1.071 237 L CA 2.774 57.528 54.840 -0.144 0.000 0.745 237 L CB -1.205 40.743 42.059 -0.184 0.000 0.892 237 L HN 0.174 nan 8.230 nan 0.000 0.431 238 T N -0.670 113.812 114.554 -0.121 0.000 2.699 238 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 238 T C 1.988 176.614 174.700 -0.124 0.000 1.036 238 T CA 1.757 63.795 62.100 -0.105 0.000 1.147 238 T CB -0.543 68.263 68.868 -0.102 0.000 0.862 238 T HN 0.250 nan 8.240 nan 0.000 0.446 239 V N 1.653 121.479 119.914 -0.147 0.000 2.295 239 V HA -0.191 3.929 4.120 -0.000 0.000 0.246 239 V C 2.887 178.826 176.094 -0.258 0.000 1.049 239 V CA 1.797 63.957 62.300 -0.234 0.000 1.024 239 V CB -1.220 30.534 31.823 -0.115 0.000 0.648 239 V HN 0.553 nan 8.190 nan 0.000 0.447 240 A N -0.590 122.201 122.820 -0.048 0.000 1.930 240 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 240 A C 2.168 179.774 177.584 0.037 0.000 1.175 240 A CA 1.614 53.703 52.037 0.086 0.000 0.627 240 A CB -0.443 18.579 19.000 0.037 0.000 0.815 240 A HN 0.623 nan 8.150 nan 0.000 0.443 241 E N -1.548 118.635 120.200 -0.029 0.000 2.085 241 E HA -0.234 4.116 4.350 -0.000 0.000 0.194 241 E C 1.837 178.432 176.600 -0.009 0.000 0.994 241 E CA 1.522 57.910 56.400 -0.021 0.000 0.801 241 E CB -0.321 29.360 29.700 -0.032 0.000 0.743 241 E HN 0.786 nan 8.360 nan 0.000 0.453 242 Y N 0.647 120.834 120.300 -0.189 0.000 2.114 242 Y HA -0.257 4.293 4.550 -0.000 0.000 0.284 242 Y C 1.935 177.788 175.900 -0.078 0.000 1.143 242 Y CA 1.578 59.557 58.100 -0.203 0.000 1.135 242 Y CB -0.356 37.876 38.460 -0.381 0.000 0.980 242 Y HN -0.058 nan 8.280 nan 0.000 0.499 243 F N 0.382 120.406 119.950 0.124 0.000 2.250 243 F HA -0.166 4.361 4.527 -0.000 0.000 0.301 243 F C 2.638 178.416 175.800 -0.037 0.000 1.077 243 F CA 1.626 59.672 58.000 0.076 0.000 1.348 243 F CB -0.952 38.172 39.000 0.206 0.000 1.040 243 F HN 0.074 nan 8.300 nan 0.000 0.509 244 R N 0.471 121.043 120.500 0.119 0.000 2.056 244 R HA -0.106 4.234 4.340 -0.000 0.000 0.227 244 R C 1.794 178.073 176.300 -0.035 0.000 1.149 244 R CA 1.829 57.950 56.100 0.035 0.000 0.937 244 R CB -0.346 29.962 30.300 0.014 0.000 0.835 244 R HN 0.119 nan 8.270 nan 0.000 0.430 245 D N 0.956 121.309 120.400 -0.078 0.000 2.096 245 D HA -0.100 4.540 4.640 -0.000 0.000 0.214 245 D C 0.628 176.828 176.300 -0.167 0.000 0.974 245 D CA 0.864 54.802 54.000 -0.105 0.000 0.890 245 D CB -0.457 40.287 40.800 -0.092 0.000 1.016 245 D HN 0.189 nan 8.370 nan 0.000 0.447 246 Q N 0.955 120.567 119.800 -0.313 0.000 3.151 246 Q HA 0.088 4.428 4.340 -0.000 0.000 0.277 246 Q C 0.204 175.976 176.000 -0.380 0.000 1.343 246 Q CA 0.498 56.064 55.803 -0.396 0.000 0.925 246 Q CB 0.341 28.709 28.738 -0.616 0.000 1.771 246 Q HN 0.563 nan 8.270 nan 0.000 0.514 247 E N -1.028 119.065 120.200 -0.180 0.000 1.249 247 E HA -0.020 4.330 4.350 -0.000 0.000 0.209 247 E C 0.401 176.959 176.600 -0.070 0.000 1.023 247 E CA 0.480 56.828 56.400 -0.086 0.000 0.992 247 E CB -0.499 29.203 29.700 0.004 0.000 4.746 247 E HN 0.504 nan 8.360 nan 0.000 0.661 248 G N 2.762 111.522 108.800 -0.068 0.000 2.366 248 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.299 248 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.299 248 G C -0.230 174.632 174.900 -0.063 0.000 1.020 248 G CA 1.471 46.537 45.100 -0.057 0.000 1.026 248 G HN 0.316 nan 8.290 nan 0.000 0.512 249 Q N -0.570 119.194 119.800 -0.059 0.000 2.399 249 Q HA 0.404 4.744 4.340 -0.000 0.000 0.276 249 Q C -0.842 175.136 176.000 -0.036 0.000 1.098 249 Q CA -1.031 54.712 55.803 -0.100 0.000 0.827 249 Q CB 1.227 29.835 28.738 -0.216 0.000 1.386 249 Q HN 0.237 nan 8.270 nan 0.000 0.443 250 D N 1.939 122.323 120.400 -0.025 0.000 2.371 250 D HA 0.170 4.810 4.640 -0.000 0.000 0.256 250 D C -0.768 175.642 176.300 0.183 0.000 1.193 250 D CA 0.274 54.325 54.000 0.084 0.000 0.881 250 D CB 1.037 41.931 40.800 0.157 0.000 1.143 250 D HN 0.169 nan 8.370 nan 0.000 0.473 251 V N 3.506 123.485 119.914 0.108 0.000 2.513 251 V HA 0.380 4.500 4.120 -0.000 0.000 0.299 251 V C 0.384 176.423 176.094 -0.090 0.000 1.035 251 V CA -0.885 61.475 62.300 0.100 0.000 0.889 251 V CB 1.965 33.877 31.823 0.147 0.000 0.988 251 V HN 0.327 nan 8.190 nan 0.000 0.440 252 L N 4.812 125.905 121.223 -0.217 0.000 2.296 252 L HA 0.559 4.899 4.340 -0.000 0.000 0.286 252 L C -0.888 175.676 176.870 -0.510 0.000 1.023 252 L CA -0.607 53.928 54.840 -0.509 0.000 0.812 252 L CB 1.686 43.357 42.059 -0.646 0.000 1.223 252 L HN 0.457 nan 8.230 nan 0.000 0.421 253 L N 4.587 125.436 121.223 -0.624 0.000 2.345 253 L HA 0.543 4.883 4.340 -0.000 0.000 0.274 253 L C -1.270 175.248 176.870 -0.587 0.000 0.999 253 L CA 0.050 54.624 54.840 -0.442 0.000 0.849 253 L CB 0.805 42.706 42.059 -0.263 0.000 1.220 253 L HN 0.172 nan 8.230 nan 0.000 0.422 254 F N 5.989 125.841 119.950 -0.164 0.000 2.427 254 F HA 0.609 5.136 4.527 -0.000 0.000 0.346 254 F C 0.106 175.558 175.800 -0.579 0.000 1.120 254 F CA -0.544 57.294 58.000 -0.270 0.000 1.033 254 F CB 1.274 40.227 39.000 -0.079 0.000 1.126 254 F HN 0.223 nan 8.300 nan 0.000 0.462 255 I N 2.555 122.928 120.570 -0.328 0.000 2.498 255 I HA 0.385 4.555 4.170 -0.000 0.000 0.290 255 I C -1.460 174.462 176.117 -0.326 0.000 1.032 255 I CA -0.601 60.450 61.300 -0.415 0.000 1.073 255 I CB 2.368 40.198 38.000 -0.285 0.000 1.251 255 I HN 0.498 nan 8.210 nan 0.000 0.426 256 D N 5.221 125.419 120.400 -0.337 0.000 2.591 256 D HA 0.195 4.835 4.640 -0.000 0.000 0.222 256 D C -1.483 174.785 176.300 -0.054 0.000 1.360 256 D CA -0.407 53.519 54.000 -0.123 0.000 0.967 256 D CB 1.211 42.001 40.800 -0.016 0.000 1.456 256 D HN 0.364 nan 8.370 nan 0.000 0.588 257 N N 4.085 122.788 118.700 0.004 0.000 2.362 257 N HA 0.230 4.970 4.740 -0.000 0.000 0.298 257 N C 0.465 175.996 175.510 0.035 0.000 1.048 257 N CA -0.539 52.532 53.050 0.036 0.000 0.858 257 N CB 1.703 40.260 38.487 0.118 0.000 1.218 257 N HN 0.519 nan 8.380 nan 0.000 0.488 258 I N 4.054 124.628 120.570 0.007 0.000 2.676 258 I HA -0.054 4.116 4.170 -0.000 0.000 0.259 258 I C 1.669 177.854 176.117 0.113 0.000 1.194 258 I CA 0.758 62.056 61.300 -0.003 0.000 1.473 258 I CB -0.539 37.411 38.000 -0.083 0.000 1.096 258 I HN 0.617 nan 8.210 nan 0.000 0.443 259 F N 1.664 121.639 119.950 0.041 0.000 2.161 259 F HA -0.232 4.295 4.527 -0.000 0.000 0.300 259 F C 2.242 178.116 175.800 0.123 0.000 1.089 259 F CA 1.457 59.519 58.000 0.104 0.000 1.282 259 F CB -0.391 38.717 39.000 0.179 0.000 1.010 259 F HN -0.015 nan 8.300 nan 0.000 0.485 260 R N -0.024 120.469 120.500 -0.011 0.000 2.200 260 R HA -0.211 4.129 4.340 -0.000 0.000 0.234 260 R C 2.073 178.311 176.300 -0.103 0.000 1.127 260 R CA 1.195 57.230 56.100 -0.109 0.000 0.989 260 R CB -1.835 28.481 30.300 0.026 0.000 0.869 260 R HN 0.454 nan 8.270 nan 0.000 0.459 261 F N 1.758 121.594 119.950 -0.191 0.000 2.075 261 F HA -0.168 4.359 4.527 -0.000 0.000 0.297 261 F C 1.923 177.617 175.800 -0.177 0.000 1.113 261 F CA 1.701 59.609 58.000 -0.153 0.000 1.218 261 F CB -0.607 38.315 39.000 -0.130 0.000 0.984 261 F HN -0.085 nan 8.300 nan 0.000 0.472 262 T N 0.270 114.617 114.554 -0.343 0.000 2.777 262 T HA -0.236 4.114 4.350 -0.000 0.000 0.266 262 T C 1.922 176.418 174.700 -0.340 0.000 1.040 262 T CA 1.560 63.419 62.100 -0.402 0.000 1.141 262 T CB -0.422 68.280 68.868 -0.276 0.000 0.868 262 T HN 0.447 nan 8.240 nan 0.000 0.444 263 Q N 0.816 120.305 119.800 -0.519 0.000 2.050 263 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 263 Q C 2.525 178.406 176.000 -0.198 0.000 0.980 263 Q CA 1.521 57.112 55.803 -0.354 0.000 0.840 263 Q CB -0.340 28.139 28.738 -0.430 0.000 0.898 263 Q HN 0.521 nan 8.270 nan 0.000 0.424 264 A N 0.574 123.277 122.820 -0.195 0.000 1.908 264 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 264 A C 2.279 179.779 177.584 -0.140 0.000 1.181 264 A CA 1.799 53.760 52.037 -0.127 0.000 0.627 264 A CB -1.409 17.537 19.000 -0.090 0.000 0.818 264 A HN 0.626 nan 8.150 nan 0.000 0.445 265 G N -0.155 108.514 108.800 -0.219 0.000 2.422 265 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.218 265 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.218 265 G C 1.895 176.728 174.900 -0.112 0.000 1.146 265 G CA 1.655 46.638 45.100 -0.196 0.000 0.769 265 G HN 0.800 nan 8.290 nan 0.000 0.547 266 S N 0.676 116.321 115.700 -0.092 0.000 2.423 266 S HA -0.041 4.429 4.470 -0.000 0.000 0.231 266 S C 1.890 176.446 174.600 -0.072 0.000 1.014 266 S CA 1.405 59.566 58.200 -0.065 0.000 0.965 266 S CB -0.211 62.932 63.200 -0.096 0.000 0.785 266 S HN 0.611 nan 8.310 nan 0.000 0.495 267 E N 1.348 121.504 120.200 -0.073 0.000 2.015 267 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 267 E C 2.391 178.967 176.600 -0.041 0.000 0.991 267 E CA 1.580 57.948 56.400 -0.054 0.000 0.802 267 E CB -0.486 29.186 29.700 -0.047 0.000 0.759 267 E HN 0.602 nan 8.360 nan 0.000 0.447 268 V N -0.766 119.123 119.914 -0.042 0.000 2.809 268 V HA -0.146 3.974 4.120 -0.000 0.000 0.256 268 V C 2.292 178.370 176.094 -0.027 0.000 1.080 268 V CA 1.526 63.808 62.300 -0.029 0.000 1.102 268 V CB -0.108 31.699 31.823 -0.026 0.000 0.705 268 V HN 0.130 nan 8.190 nan 0.000 0.475 269 S N 1.571 117.250 115.700 -0.035 0.000 2.380 269 S HA -0.316 4.154 4.470 -0.000 0.000 0.229 269 S C 2.203 176.792 174.600 -0.017 0.000 1.050 269 S CA 2.655 60.839 58.200 -0.026 0.000 1.100 269 S CB -0.787 62.397 63.200 -0.026 0.000 0.984 269 S HN 1.069 nan 8.310 nan 0.000 0.434 270 A N 1.105 123.914 122.820 -0.019 0.000 1.908 270 A HA -0.004 4.316 4.320 -0.000 0.000 0.218 270 A C 2.230 179.808 177.584 -0.009 0.000 1.181 270 A CA 1.658 53.687 52.037 -0.014 0.000 0.627 270 A CB -0.802 18.188 19.000 -0.017 0.000 0.818 270 A HN 0.614 nan 8.150 nan 0.000 0.445 271 L N -0.929 120.288 121.223 -0.010 0.000 2.376 271 L HA -0.009 4.331 4.340 -0.000 0.000 0.219 271 L C 1.706 178.575 176.870 -0.002 0.000 1.133 271 L CA 0.401 55.238 54.840 -0.006 0.000 0.816 271 L CB -0.269 41.787 42.059 -0.006 0.000 0.933 271 L HN 0.346 nan 8.230 nan 0.000 0.449 272 L N -0.347 120.874 121.223 -0.004 0.000 2.592 272 L HA 0.189 4.529 4.340 -0.000 0.000 0.227 272 L C 1.238 178.109 176.870 0.002 0.000 1.127 272 L CA 0.233 55.074 54.840 0.000 0.000 0.884 272 L CB -0.212 41.845 42.059 -0.003 0.000 1.065 272 L HN 0.396 nan 8.230 nan 0.000 0.457 273 G N 1.144 109.944 108.800 0.001 0.000 2.225 273 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.264 273 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.264 273 G C 0.159 175.060 174.900 0.002 0.000 1.060 273 G CA -0.117 44.984 45.100 0.002 0.000 0.833 273 G HN 0.379 nan 8.290 nan 0.000 0.498 274 R N -0.855 119.645 120.500 0.001 0.000 2.536 274 R HA 0.632 4.972 4.340 -0.000 0.000 0.279 274 R C 0.672 176.975 176.300 0.004 0.000 1.001 274 R CA -0.891 55.210 56.100 0.003 0.000 1.027 274 R CB 1.284 31.585 30.300 0.002 0.000 1.096 274 R HN 0.268 nan 8.270 nan 0.000 0.502 275 I N 4.254 124.828 120.570 0.008 0.000 2.441 275 I HA 0.149 4.319 4.170 -0.000 0.000 0.287 275 I C -1.606 174.520 176.117 0.014 0.000 1.049 275 I CA -2.047 59.258 61.300 0.009 0.000 1.381 275 I CB 1.058 39.064 38.000 0.010 0.000 1.409 275 I HN 0.282 nan 8.210 nan 0.000 0.523 276 P HA 0.009 nan 4.420 nan 0.000 0.265 276 P C -0.386 176.933 177.300 0.032 0.000 1.193 276 P CA 0.066 63.176 63.100 0.018 0.000 0.765 276 P CB 1.257 32.961 31.700 0.007 0.000 0.823 277 S N 2.005 117.737 115.700 0.054 0.000 2.647 277 S HA 0.614 5.084 4.470 -0.000 0.000 0.284 277 S C 0.053 174.704 174.600 0.085 0.000 1.134 277 S CA -0.403 57.838 58.200 0.068 0.000 1.027 277 S CB 0.339 63.591 63.200 0.086 0.000 1.180 277 S HN 0.605 nan 8.310 nan 0.000 0.521 278 A N 0.424 123.302 122.820 0.097 0.000 2.540 278 A HA 0.384 4.704 4.320 -0.000 0.000 0.239 278 A C 0.993 178.678 177.584 0.168 0.000 1.061 278 A CA 0.401 52.502 52.037 0.106 0.000 0.758 278 A CB -0.856 18.201 19.000 0.095 0.000 0.991 278 A HN 1.648 nan 8.150 nan 0.000 0.502 279 V N 1.530 121.522 119.914 0.130 0.000 4.112 279 V HA -0.326 3.794 4.120 -0.000 0.000 0.233 279 V C 1.838 177.951 176.094 0.031 0.000 0.458 279 V CA 1.708 64.085 62.300 0.129 0.000 0.909 279 V CB -2.509 29.474 31.823 0.266 0.000 0.963 279 V HN 2.886 nan 8.190 nan 0.000 1.260 280 G N -2.544 106.271 108.800 0.025 0.000 2.196 280 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.268 280 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.268 280 G C -0.083 174.776 174.900 -0.069 0.000 0.975 280 G CA 0.661 45.737 45.100 -0.040 0.000 0.648 280 G HN 0.860 nan 8.290 nan 0.000 0.538 281 Y N 1.623 121.939 120.300 0.026 0.000 2.357 281 Y HA 0.358 4.908 4.550 -0.000 0.000 0.340 281 Y C 1.469 177.367 175.900 -0.004 0.000 1.260 281 Y CA -0.015 58.093 58.100 0.013 0.000 1.425 281 Y CB 0.526 39.004 38.460 0.030 0.000 1.326 281 Y HN 0.431 nan 8.280 nan 0.000 0.580 282 Q N 4.388 124.287 119.800 0.166 0.000 2.361 282 Q HA 0.017 4.357 4.340 -0.000 0.000 0.276 282 Q C -2.231 173.810 176.000 0.069 0.000 1.022 282 Q CA -1.424 54.421 55.803 0.070 0.000 0.898 282 Q CB 0.672 29.423 28.738 0.022 0.000 1.246 282 Q HN 0.435 nan 8.270 nan 0.000 0.410 283 P HA -0.082 nan 4.420 nan 0.000 0.230 283 P C 0.489 177.805 177.300 0.026 0.000 1.158 283 P CA 1.097 64.219 63.100 0.037 0.000 0.769 283 P CB 0.041 31.757 31.700 0.027 0.000 0.807 284 T N -3.732 110.832 114.554 0.015 0.000 3.243 284 T HA 0.222 4.572 4.350 -0.000 0.000 0.264 284 T C 1.343 176.041 174.700 -0.003 0.000 1.000 284 T CA -0.441 61.664 62.100 0.007 0.000 0.901 284 T CB -0.711 68.156 68.868 -0.001 0.000 1.083 284 T HN -0.052 nan 8.240 nan 0.000 0.559 285 L N 1.283 122.506 121.223 -0.000 0.000 1.955 285 L HA 0.008 4.348 4.340 -0.000 0.000 0.213 285 L C 2.856 179.723 176.870 -0.004 0.000 1.072 285 L CA 1.950 56.773 54.840 -0.027 0.000 0.755 285 L CB -0.826 41.206 42.059 -0.045 0.000 0.888 285 L HN 0.399 nan 8.230 nan 0.000 0.432 286 A N -0.228 122.606 122.820 0.022 0.000 1.859 286 A HA -0.316 4.004 4.320 -0.000 0.000 0.217 286 A C 2.349 179.976 177.584 0.072 0.000 1.198 286 A CA 3.176 55.251 52.037 0.062 0.000 0.629 286 A CB -1.551 17.489 19.000 0.066 0.000 0.830 286 A HN 0.684 nan 8.150 nan 0.000 0.446 287 T N -1.867 112.720 114.554 0.055 0.000 2.684 287 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 287 T C 1.430 176.170 174.700 0.066 0.000 1.036 287 T CA 1.671 63.806 62.100 0.058 0.000 1.148 287 T CB -0.701 68.192 68.868 0.042 0.000 0.863 287 T HN 0.404 nan 8.240 nan 0.000 0.436 288 D N 0.869 121.303 120.400 0.057 0.000 2.123 288 D HA -0.065 4.575 4.640 -0.000 0.000 0.196 288 D C 2.006 178.432 176.300 0.209 0.000 0.992 288 D CA 1.134 55.193 54.000 0.098 0.000 0.833 288 D CB -0.444 40.340 40.800 -0.027 0.000 0.954 288 D HN 0.415 nan 8.370 nan 0.000 0.455 289 M N 0.275 119.959 119.600 0.140 0.000 2.175 289 M HA -0.062 4.418 4.480 -0.000 0.000 0.264 289 M C 2.019 178.271 176.300 -0.080 0.000 1.063 289 M CA 1.833 57.193 55.300 0.100 0.000 1.119 289 M CB -0.117 32.490 32.600 0.011 0.000 1.377 289 M HN 0.026 nan 8.290 nan 0.000 0.415 290 G N -0.395 108.396 108.800 -0.015 0.000 2.404 290 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.215 290 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.215 290 G C 1.417 176.324 174.900 0.011 0.000 1.174 290 G CA 1.464 46.574 45.100 0.017 0.000 0.780 290 G HN 0.586 nan 8.290 nan 0.000 0.537 291 T N -1.158 113.417 114.554 0.036 0.000 2.803 291 T HA -0.095 4.255 4.350 -0.000 0.000 0.269 291 T C 2.259 176.947 174.700 -0.020 0.000 1.052 291 T CA 1.577 63.696 62.100 0.032 0.000 1.136 291 T CB -0.149 68.760 68.868 0.068 0.000 0.864 291 T HN 0.276 nan 8.240 nan 0.000 0.467 292 M N 0.112 119.674 119.600 -0.064 0.000 2.155 292 M HA -0.019 4.461 4.480 -0.000 0.000 0.258 292 M C 2.590 178.770 176.300 -0.200 0.000 1.092 292 M CA 1.109 56.292 55.300 -0.195 0.000 1.153 292 M CB -0.159 32.197 32.600 -0.408 0.000 1.316 292 M HN 0.018 nan 8.290 nan 0.000 0.431 293 Q N 0.763 120.425 119.800 -0.231 0.000 2.133 293 Q HA -0.225 4.115 4.340 -0.000 0.000 0.208 293 Q C 1.776 177.717 176.000 -0.098 0.000 0.991 293 Q CA 1.670 57.339 55.803 -0.224 0.000 0.867 293 Q CB -0.715 27.762 28.738 -0.435 0.000 0.911 293 Q HN 0.579 nan 8.270 nan 0.000 0.417 294 E N 0.280 120.454 120.200 -0.043 0.000 2.331 294 E HA -0.150 4.200 4.350 -0.000 0.000 0.199 294 E C 1.892 178.484 176.600 -0.013 0.000 1.008 294 E CA 0.653 57.065 56.400 0.019 0.000 0.843 294 E CB -0.083 29.648 29.700 0.052 0.000 0.761 294 E HN 0.339 nan 8.360 nan 0.000 0.507 295 R N -0.026 120.443 120.500 -0.052 0.000 2.161 295 R HA 0.140 4.480 4.340 -0.000 0.000 0.213 295 R C 1.010 177.267 176.300 -0.071 0.000 1.055 295 R CA 0.231 56.295 56.100 -0.059 0.000 0.996 295 R CB 0.144 30.395 30.300 -0.082 0.000 0.901 295 R HN 0.082 nan 8.270 nan 0.000 0.456 296 I N 1.792 122.308 120.570 -0.090 0.000 2.270 296 I HA 0.050 4.220 4.170 -0.000 0.000 0.300 296 I C 0.063 176.139 176.117 -0.068 0.000 1.186 296 I CA 0.261 61.502 61.300 -0.098 0.000 1.431 296 I CB 0.241 38.161 38.000 -0.132 0.000 1.485 296 I HN -0.044 nan 8.210 nan 0.000 0.650 297 T N 2.607 117.128 114.554 -0.054 0.000 2.821 297 T HA 0.317 4.666 4.350 -0.000 0.000 0.306 297 T C -0.459 174.215 174.700 -0.042 0.000 1.313 297 T CA -0.317 61.759 62.100 -0.040 0.000 1.012 297 T CB 1.944 70.800 68.868 -0.020 0.000 1.298 297 T HN 0.256 nan 8.240 nan 0.000 0.502 298 T N 2.914 117.444 114.554 -0.040 0.000 2.806 298 T HA 0.607 4.957 4.350 -0.000 0.000 0.290 298 T C 0.336 175.011 174.700 -0.042 0.000 0.966 298 T CA -0.355 61.721 62.100 -0.039 0.000 1.060 298 T CB 0.805 69.651 68.868 -0.037 0.000 0.927 298 T HN 0.838 nan 8.240 nan 0.000 0.485 299 T N 0.322 114.852 114.554 -0.041 0.000 2.905 299 T HA 0.471 4.821 4.350 -0.000 0.000 0.283 299 T C 0.915 175.588 174.700 -0.046 0.000 1.031 299 T CA -1.071 61.001 62.100 -0.046 0.000 1.002 299 T CB 1.290 70.134 68.868 -0.040 0.000 1.200 299 T HN 0.387 nan 8.240 nan 0.000 0.560 300 K N -0.085 120.285 120.400 -0.049 0.000 2.555 300 K HA 0.088 4.407 4.320 -0.000 0.000 0.193 300 K C 1.814 178.391 176.600 -0.039 0.000 1.032 300 K CA 0.559 56.819 56.287 -0.046 0.000 1.004 300 K CB 0.021 32.492 32.500 -0.048 0.000 0.804 300 K HN 0.478 nan 8.250 nan 0.000 0.496 301 K N -0.062 120.314 120.400 -0.039 0.000 2.141 301 K HA 0.069 4.389 4.320 -0.000 0.000 0.202 301 K C 0.971 177.548 176.600 -0.038 0.000 1.045 301 K CA 0.673 56.937 56.287 -0.040 0.000 0.971 301 K CB 0.529 33.003 32.500 -0.043 0.000 0.795 301 K HN 0.123 nan 8.250 nan 0.000 0.459 302 G N -0.039 108.741 108.800 -0.034 0.000 2.692 302 G HA2 0.340 4.300 3.960 -0.000 0.000 0.291 302 G HA3 0.340 4.300 3.960 -0.000 0.000 0.291 302 G C -1.653 173.233 174.900 -0.023 0.000 1.423 302 G CA -0.447 44.637 45.100 -0.026 0.000 0.843 302 G HN -0.049 nan 8.290 nan 0.000 0.486 303 S N -0.626 115.065 115.700 -0.015 0.000 2.509 303 S HA 0.759 5.229 4.470 -0.000 0.000 0.297 303 S C -0.472 174.116 174.600 -0.020 0.000 1.118 303 S CA -0.680 57.509 58.200 -0.018 0.000 1.074 303 S CB 0.588 63.782 63.200 -0.011 0.000 1.038 303 S HN 0.413 nan 8.310 nan 0.000 0.498 304 I N 3.818 124.363 120.570 -0.043 0.000 2.476 304 I HA 0.208 4.378 4.170 -0.000 0.000 0.281 304 I C -0.416 175.634 176.117 -0.112 0.000 1.040 304 I CA -0.459 60.797 61.300 -0.074 0.000 1.094 304 I CB 2.085 40.040 38.000 -0.075 0.000 1.219 304 I HN 0.475 nan 8.210 nan 0.000 0.450 305 T N 4.252 118.716 114.554 -0.150 0.000 2.863 305 T HA 0.180 4.530 4.350 -0.000 0.000 0.299 305 T C 0.400 174.931 174.700 -0.282 0.000 0.973 305 T CA -0.415 61.584 62.100 -0.170 0.000 0.994 305 T CB 0.035 68.819 68.868 -0.139 0.000 0.961 305 T HN 0.640 nan 8.240 nan 0.000 0.552 306 S N 2.381 117.936 115.700 -0.241 0.000 2.499 306 S HA 0.617 5.087 4.470 -0.000 0.000 0.279 306 S C -0.217 174.227 174.600 -0.260 0.000 1.219 306 S CA -0.834 57.195 58.200 -0.284 0.000 1.062 306 S CB 1.222 64.295 63.200 -0.212 0.000 0.978 306 S HN 0.349 nan 8.310 nan 0.000 0.489 307 V N 3.812 123.573 119.914 -0.255 0.000 2.376 307 V HA 0.401 4.521 4.120 -0.000 0.000 0.287 307 V C -0.514 175.520 176.094 -0.100 0.000 1.015 307 V CA -0.514 61.709 62.300 -0.128 0.000 0.834 307 V CB 1.086 32.979 31.823 0.117 0.000 1.001 307 V HN 0.961 nan 8.190 nan 0.000 0.428 308 Q N 3.063 122.769 119.800 -0.157 0.000 2.333 308 Q HA 0.775 5.115 4.340 -0.000 0.000 0.267 308 Q C -0.327 175.566 176.000 -0.179 0.000 1.012 308 Q CA -0.642 55.058 55.803 -0.172 0.000 0.824 308 Q CB 2.712 31.328 28.738 -0.204 0.000 1.290 308 Q HN 0.827 nan 8.270 nan 0.000 0.449 309 A N 3.790 126.532 122.820 -0.130 0.000 2.269 309 A HA 0.512 4.832 4.320 -0.000 0.000 0.302 309 A C -0.453 177.055 177.584 -0.126 0.000 1.266 309 A CA -0.433 51.543 52.037 -0.102 0.000 0.894 309 A CB -0.113 18.881 19.000 -0.011 0.000 1.147 309 A HN 0.727 nan 8.150 nan 0.000 0.537 310 I N 3.126 123.537 120.570 -0.264 0.000 2.330 310 I HA 0.201 4.371 4.170 -0.000 0.000 0.289 310 I C -0.348 175.701 176.117 -0.114 0.000 1.001 310 I CA -0.630 60.508 61.300 -0.270 0.000 1.193 310 I CB 0.967 38.505 38.000 -0.770 0.000 1.345 310 I HN 0.719 nan 8.210 nan 0.000 0.461 311 Y N 7.237 127.472 120.300 -0.109 0.000 2.336 311 Y HA 0.431 4.980 4.550 -0.000 0.000 0.331 311 Y C -0.406 175.313 175.900 -0.303 0.000 1.211 311 Y CA -0.354 57.617 58.100 -0.216 0.000 1.346 311 Y CB 1.033 39.293 38.460 -0.334 0.000 1.271 311 Y HN 0.267 nan 8.280 nan 0.000 0.538 312 V N 8.106 127.384 119.914 -1.061 0.000 2.326 312 V HA 0.298 4.418 4.120 -0.000 0.000 0.281 312 V C -2.400 173.057 176.094 -1.062 0.000 1.015 312 V CA -2.169 59.695 62.300 -0.726 0.000 0.823 312 V CB 1.097 32.746 31.823 -0.290 0.000 1.009 312 V HN 0.729 nan 8.190 nan 0.000 0.436 313 P HA 0.133 nan 4.420 nan 0.000 0.261 313 P C 0.684 177.897 177.300 -0.145 0.000 1.203 313 P CA 0.866 63.793 63.100 -0.288 0.000 0.767 313 P CB 0.624 32.343 31.700 0.032 0.000 0.785 314 A N 4.426 127.199 122.820 -0.078 0.000 2.826 314 A HA -0.270 4.050 4.320 -0.000 0.000 0.274 314 A C 1.048 178.595 177.584 -0.062 0.000 1.443 314 A CA 1.240 53.262 52.037 -0.025 0.000 0.833 314 A CB -2.595 16.414 19.000 0.015 0.000 1.023 314 A HN 0.617 nan 8.150 nan 0.000 0.600 315 D N -2.221 118.094 120.400 -0.141 0.000 3.059 315 D HA -0.199 4.441 4.640 -0.000 0.000 0.213 315 D C -0.101 176.159 176.300 -0.067 0.000 1.144 315 D CA 2.161 56.095 54.000 -0.111 0.000 0.975 315 D CB -1.358 39.408 40.800 -0.057 0.000 1.125 315 D HN 0.989 nan 8.370 nan 0.000 0.412 316 D N 0.080 120.448 120.400 -0.055 0.000 2.383 316 D HA 0.157 4.797 4.640 -0.000 0.000 0.245 316 D C 1.362 177.664 176.300 0.004 0.000 1.263 316 D CA -0.052 53.940 54.000 -0.014 0.000 0.936 316 D CB 0.120 40.926 40.800 0.011 0.000 1.053 316 D HN 0.199 nan 8.370 nan 0.000 0.507 317 L N 2.600 123.832 121.223 0.015 0.000 2.549 317 L HA -0.053 4.287 4.340 -0.000 0.000 0.229 317 L C 2.088 179.009 176.870 0.084 0.000 1.158 317 L CA 1.006 55.892 54.840 0.077 0.000 0.842 317 L CB -0.421 41.673 42.059 0.059 0.000 0.952 317 L HN 0.502 nan 8.230 nan 0.000 0.452 318 T N -5.354 109.222 114.554 0.038 0.000 3.107 318 T HA -0.007 4.343 4.350 -0.000 0.000 0.249 318 T C 0.508 175.247 174.700 0.064 0.000 1.096 318 T CA -0.434 61.685 62.100 0.032 0.000 1.012 318 T CB -0.343 68.529 68.868 0.007 0.000 0.977 318 T HN 0.119 nan 8.240 nan 0.000 0.527 319 D N 2.635 123.086 120.400 0.085 0.000 2.458 319 D HA 0.156 4.796 4.640 -0.000 0.000 0.243 319 D C -1.464 174.880 176.300 0.073 0.000 1.146 319 D CA -1.863 52.209 54.000 0.120 0.000 0.877 319 D CB 1.184 42.074 40.800 0.148 0.000 1.176 319 D HN -0.047 nan 8.370 nan 0.000 0.461 320 P HA -0.255 nan 4.420 nan 0.000 0.218 320 P C 0.451 177.630 177.300 -0.201 0.000 1.147 320 P CA 1.687 64.724 63.100 -0.104 0.000 0.827 320 P CB 0.151 31.762 31.700 -0.149 0.000 0.778 321 A N 0.222 122.873 122.820 -0.282 0.000 1.823 321 A HA -0.052 4.268 4.320 -0.000 0.000 0.214 321 A C -0.080 177.569 177.584 0.108 0.000 1.225 321 A CA 1.722 53.695 52.037 -0.107 0.000 0.604 321 A CB -2.036 17.072 19.000 0.179 0.000 0.878 321 A HN 0.182 nan 8.150 nan 0.000 0.450 322 P HA -0.132 nan 4.420 nan 0.000 0.218 322 P C 1.531 179.035 177.300 0.340 0.000 1.149 322 P CA 2.005 65.249 63.100 0.239 0.000 0.817 322 P CB -0.172 31.671 31.700 0.237 0.000 0.785 323 A N 0.070 123.089 122.820 0.332 0.000 1.940 323 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 323 A C 2.284 180.076 177.584 0.345 0.000 1.176 323 A CA 2.401 54.668 52.037 0.384 0.000 0.631 323 A CB -1.858 17.239 19.000 0.162 0.000 0.814 323 A HN 0.222 nan 8.150 nan 0.000 0.446 324 T N -0.529 114.160 114.554 0.225 0.000 3.043 324 T HA -0.026 4.324 4.350 -0.000 0.000 0.263 324 T C 1.814 176.697 174.700 0.305 0.000 1.094 324 T CA 1.504 63.729 62.100 0.208 0.000 1.127 324 T CB -0.227 68.719 68.868 0.130 0.000 0.905 324 T HN 0.590 nan 8.240 nan 0.000 0.490 325 T N 1.658 116.382 114.554 0.282 0.000 2.904 325 T HA 0.049 4.399 4.350 -0.000 0.000 0.267 325 T C 1.509 176.403 174.700 0.323 0.000 1.059 325 T CA 0.594 62.848 62.100 0.257 0.000 1.137 325 T CB -0.473 68.444 68.868 0.082 0.000 0.879 325 T HN 0.271 nan 8.240 nan 0.000 0.467 326 F N 2.286 122.446 119.950 0.351 0.000 2.087 326 F HA -0.147 4.380 4.527 -0.000 0.000 0.299 326 F C 2.628 178.506 175.800 0.130 0.000 1.100 326 F CA 1.163 59.313 58.000 0.251 0.000 1.226 326 F CB -0.736 38.274 39.000 0.018 0.000 0.983 326 F HN 0.155 nan 8.300 nan 0.000 0.479 327 A N -1.881 121.080 122.820 0.236 0.000 2.248 327 A HA -0.113 4.207 4.320 -0.000 0.000 0.210 327 A C 1.056 178.539 177.584 -0.170 0.000 1.174 327 A CA 0.903 52.940 52.037 -0.000 0.000 0.750 327 A CB -0.952 17.988 19.000 -0.100 0.000 0.780 327 A HN 0.510 nan 8.150 nan 0.000 0.478 328 H N -0.996 118.139 119.070 0.108 0.000 2.475 328 H HA 0.450 5.006 4.556 -0.000 0.000 0.276 328 H C -0.565 174.786 175.328 0.037 0.000 1.126 328 H CA 0.029 56.110 56.048 0.055 0.000 1.023 328 H CB 0.098 29.878 29.762 0.030 0.000 1.669 328 H HN 0.323 nan 8.280 nan 0.000 0.573 329 L N -0.496 120.808 121.223 0.136 0.000 2.327 329 L HA 0.322 4.662 4.340 -0.000 0.000 0.258 329 L C 0.509 177.428 176.870 0.081 0.000 1.024 329 L CA -0.631 54.267 54.840 0.096 0.000 0.825 329 L CB 2.370 44.508 42.059 0.132 0.000 1.386 329 L HN -0.080 nan 8.230 nan 0.000 0.417 330 D N 0.203 120.635 120.400 0.054 0.000 2.454 330 D HA 0.257 4.897 4.640 -0.000 0.000 0.219 330 D C 0.001 176.348 176.300 0.078 0.000 1.081 330 D CA 0.448 54.480 54.000 0.054 0.000 0.867 330 D CB 1.704 42.522 40.800 0.031 0.000 1.054 330 D HN 0.477 nan 8.370 nan 0.000 0.500 331 A N 1.041 123.908 122.820 0.078 0.000 2.408 331 A HA 0.562 4.882 4.320 -0.000 0.000 0.295 331 A C -0.474 177.199 177.584 0.147 0.000 1.040 331 A CA -0.568 51.547 52.037 0.130 0.000 0.707 331 A CB 1.351 20.447 19.000 0.160 0.000 1.235 331 A HN -0.042 nan 8.150 nan 0.000 0.418 332 T N -0.373 114.316 114.554 0.225 0.000 2.812 332 T HA 0.662 5.012 4.350 -0.000 0.000 0.282 332 T C -0.464 174.417 174.700 0.302 0.000 0.990 332 T CA -0.524 61.765 62.100 0.316 0.000 0.960 332 T CB 1.272 70.356 68.868 0.360 0.000 0.948 332 T HN 0.415 nan 8.240 nan 0.000 0.438 333 T N 3.308 118.062 114.554 0.334 0.000 2.963 333 T HA 0.409 4.759 4.350 -0.000 0.000 0.343 333 T C 0.134 175.015 174.700 0.302 0.000 1.146 333 T CA -0.503 61.773 62.100 0.294 0.000 1.016 333 T CB 0.468 69.527 68.868 0.319 0.000 1.046 333 T HN 0.616 nan 8.240 nan 0.000 0.496 334 V N 4.937 124.996 119.914 0.243 0.000 2.461 334 V HA 0.306 4.426 4.120 -0.000 0.000 0.275 334 V C -0.055 176.129 176.094 0.151 0.000 1.047 334 V CA -0.690 61.738 62.300 0.212 0.000 0.955 334 V CB 0.798 32.693 31.823 0.121 0.000 0.988 334 V HN 0.599 nan 8.190 nan 0.000 0.471 335 L N 4.613 125.925 121.223 0.148 0.000 2.295 335 L HA 0.498 4.838 4.340 -0.000 0.000 0.285 335 L C 0.315 177.219 176.870 0.056 0.000 1.035 335 L CA 0.665 55.564 54.840 0.097 0.000 0.806 335 L CB 1.709 43.834 42.059 0.110 0.000 1.214 335 L HN 0.683 nan 8.230 nan 0.000 0.426 336 S N 2.592 118.303 115.700 0.019 0.000 2.472 336 S HA 0.420 4.890 4.470 -0.000 0.000 0.303 336 S C 1.050 175.636 174.600 -0.024 0.000 1.099 336 S CA -0.620 57.578 58.200 -0.003 0.000 1.077 336 S CB 1.044 64.236 63.200 -0.014 0.000 1.031 336 S HN 0.722 nan 8.310 nan 0.000 0.487 337 R N 3.348 123.838 120.500 -0.017 0.000 2.115 337 R HA 0.008 4.348 4.340 -0.000 0.000 0.226 337 R C 2.120 178.399 176.300 -0.035 0.000 1.100 337 R CA 1.561 57.651 56.100 -0.017 0.000 0.980 337 R CB -0.603 29.696 30.300 -0.001 0.000 0.875 337 R HN 0.772 nan 8.270 nan 0.000 0.445 338 A N 1.357 124.157 122.820 -0.034 0.000 1.865 338 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 338 A C 2.115 179.665 177.584 -0.057 0.000 1.191 338 A CA 1.672 53.687 52.037 -0.037 0.000 0.623 338 A CB -0.622 18.357 19.000 -0.035 0.000 0.826 338 A HN 0.359 nan 8.150 nan 0.000 0.444 339 I N -0.275 120.252 120.570 -0.071 0.000 2.286 339 I HA -0.270 3.900 4.170 -0.000 0.000 0.248 339 I C 2.902 178.900 176.117 -0.199 0.000 1.115 339 I CA 1.004 62.244 61.300 -0.100 0.000 1.392 339 I CB -0.426 37.523 38.000 -0.085 0.000 1.065 339 I HN 0.372 nan 8.210 nan 0.000 0.418 340 A N 0.652 123.327 122.820 -0.241 0.000 1.930 340 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 340 A C 2.225 179.683 177.584 -0.210 0.000 1.175 340 A CA 1.512 53.288 52.037 -0.434 0.000 0.627 340 A CB -0.482 18.387 19.000 -0.219 0.000 0.815 340 A HN 0.439 nan 8.150 nan 0.000 0.443 341 E N -0.086 120.069 120.200 -0.075 0.000 2.106 341 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 341 E C 1.912 178.512 176.600 0.001 0.000 0.984 341 E CA 0.956 57.354 56.400 -0.002 0.000 0.806 341 E CB -0.286 29.413 29.700 -0.001 0.000 0.750 341 E HN 0.629 nan 8.360 nan 0.000 0.458 342 L N -0.593 120.610 121.223 -0.034 0.000 2.079 342 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 342 L C 1.824 178.695 176.870 0.002 0.000 1.081 342 L CA 1.302 56.127 54.840 -0.026 0.000 0.752 342 L CB -0.290 41.747 42.059 -0.037 0.000 0.896 342 L HN 0.430 nan 8.230 nan 0.000 0.433 343 G N -1.110 107.698 108.800 0.015 0.000 2.227 343 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.168 343 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.168 343 G C 0.124 175.177 174.900 0.255 0.000 1.006 343 G CA -0.643 44.578 45.100 0.201 0.000 0.684 343 G HN 0.052 nan 8.290 nan 0.000 0.489 344 I N 1.747 122.326 120.570 0.015 0.000 2.379 344 I HA 0.430 4.600 4.170 -0.000 0.000 0.290 344 I C -0.231 175.749 176.117 -0.228 0.000 1.063 344 I CA -0.590 60.733 61.300 0.037 0.000 1.351 344 I CB -0.469 37.539 38.000 0.014 0.000 1.410 344 I HN 0.071 nan 8.210 nan 0.000 0.505 345 Y N 7.471 127.761 120.300 -0.018 0.000 2.391 345 Y HA 0.400 4.950 4.550 -0.000 0.000 0.341 345 Y C -2.013 173.688 175.900 -0.332 0.000 0.965 345 Y CA -2.343 55.678 58.100 -0.132 0.000 1.067 345 Y CB 2.094 40.478 38.460 -0.126 0.000 1.199 345 Y HN 0.424 nan 8.280 nan 0.000 0.450 346 P HA 0.061 nan 4.420 nan 0.000 0.269 346 P C -0.452 176.822 177.300 -0.044 0.000 1.209 346 P CA -0.124 62.971 63.100 -0.008 0.000 0.776 346 P CB 1.079 32.859 31.700 0.134 0.000 0.876 347 A N 3.427 126.202 122.820 -0.074 0.000 2.958 347 A HA 0.222 4.542 4.320 -0.000 0.000 0.247 347 A C 0.502 178.074 177.584 -0.020 0.000 1.679 347 A CA -0.292 51.656 52.037 -0.149 0.000 1.345 347 A CB -1.237 17.638 19.000 -0.208 0.000 1.013 347 A HN 0.364 nan 8.150 nan 0.000 0.641 348 V N 1.169 121.095 119.914 0.020 0.000 2.530 348 V HA 0.062 4.182 4.120 -0.000 0.000 0.282 348 V C 0.460 176.573 176.094 0.032 0.000 1.048 348 V CA -0.490 61.844 62.300 0.058 0.000 0.997 348 V CB 1.330 33.203 31.823 0.083 0.000 0.987 348 V HN 0.611 nan 8.190 nan 0.000 0.477 349 D N 7.566 127.990 120.400 0.039 0.000 2.365 349 D HA 0.184 4.824 4.640 -0.000 0.000 0.237 349 D C -1.430 174.884 176.300 0.023 0.000 1.190 349 D CA -1.600 52.413 54.000 0.021 0.000 0.867 349 D CB 1.981 42.791 40.800 0.017 0.000 1.050 349 D HN 0.327 nan 8.370 nan 0.000 0.491 350 P HA -0.066 nan 4.420 nan 0.000 0.231 350 P C 0.836 178.135 177.300 -0.002 0.000 1.158 350 P CA 0.502 63.604 63.100 0.004 0.000 0.763 350 P CB 0.355 32.056 31.700 0.002 0.000 0.805 351 L N -0.607 120.614 121.223 -0.003 0.000 3.141 351 L HA 0.363 4.703 4.340 -0.000 0.000 0.267 351 L C 0.582 177.441 176.870 -0.019 0.000 1.281 351 L CA 0.182 55.014 54.840 -0.014 0.000 1.037 351 L CB 0.134 42.181 42.059 -0.020 0.000 1.407 351 L HN -0.179 nan 8.230 nan 0.000 0.566 352 D N -1.044 119.352 120.400 -0.005 0.000 2.619 352 D HA 0.078 4.718 4.640 -0.000 0.000 0.300 352 D C -0.264 176.052 176.300 0.027 0.000 1.502 352 D CA 0.205 54.197 54.000 -0.013 0.000 0.865 352 D CB 0.835 41.624 40.800 -0.019 0.000 1.343 352 D HN -0.052 nan 8.370 nan 0.000 0.447 353 S N -0.210 115.518 115.700 0.046 0.000 2.503 353 S HA 0.825 5.295 4.470 -0.000 0.000 0.301 353 S C -0.306 174.340 174.600 0.076 0.000 1.087 353 S CA -0.516 57.739 58.200 0.091 0.000 1.042 353 S CB 1.974 65.237 63.200 0.105 0.000 1.043 353 S HN 0.242 nan 8.310 nan 0.000 0.489 354 T N -1.071 113.546 114.554 0.105 0.000 2.843 354 T HA 0.795 5.145 4.350 -0.000 0.000 0.302 354 T C -0.767 174.002 174.700 0.115 0.000 1.232 354 T CA -0.876 61.276 62.100 0.086 0.000 1.009 354 T CB 1.750 70.655 68.868 0.062 0.000 1.254 354 T HN 0.483 nan 8.240 nan 0.000 0.504 355 S N -1.022 114.733 115.700 0.092 0.000 2.546 355 S HA 0.496 4.966 4.470 -0.000 0.000 0.274 355 S C 0.605 175.244 174.600 0.065 0.000 1.121 355 S CA -0.824 57.435 58.200 0.099 0.000 0.887 355 S CB 2.165 65.424 63.200 0.099 0.000 1.094 355 S HN 0.918 nan 8.310 nan 0.000 0.474 356 R N 2.299 122.834 120.500 0.060 0.000 2.153 356 R HA 0.177 4.517 4.340 -0.000 0.000 0.218 356 R C 1.655 177.966 176.300 0.018 0.000 1.072 356 R CA 1.710 57.832 56.100 0.036 0.000 0.990 356 R CB -0.358 29.963 30.300 0.034 0.000 0.889 356 R HN 0.826 nan 8.270 nan 0.000 0.452 357 I N -2.274 118.309 120.570 0.021 0.000 3.735 357 I HA 0.132 4.302 4.170 -0.000 0.000 0.310 357 I C 0.632 176.732 176.117 -0.029 0.000 1.270 357 I CA -0.009 61.289 61.300 -0.002 0.000 1.207 357 I CB 0.245 38.252 38.000 0.010 0.000 1.013 357 I HN 0.031 nan 8.210 nan 0.000 0.452 358 M N 2.196 121.788 119.600 -0.012 0.000 2.781 358 M HA 0.159 4.639 4.480 -0.000 0.000 0.208 358 M C -0.295 175.999 176.300 -0.010 0.000 1.231 358 M CA 0.319 55.619 55.300 -0.001 0.000 1.029 358 M CB -1.822 30.812 32.600 0.056 0.000 1.753 358 M HN 0.325 nan 8.290 nan 0.000 0.448 359 D N 0.605 120.945 120.400 -0.100 0.000 2.210 359 D HA 0.212 4.852 4.640 -0.000 0.000 0.249 359 D C -1.422 174.715 176.300 -0.271 0.000 1.078 359 D CA -1.684 52.180 54.000 -0.226 0.000 0.875 359 D CB 1.714 42.427 40.800 -0.144 0.000 1.175 359 D HN 0.051 nan 8.370 nan 0.000 0.440 360 P HA -0.136 nan 4.420 nan 0.000 0.223 360 P C -0.275 176.948 177.300 -0.128 0.000 1.144 360 P CA 0.973 63.894 63.100 -0.299 0.000 0.783 360 P CB 0.124 31.566 31.700 -0.430 0.000 0.771 361 N N -1.103 117.519 118.700 -0.130 0.000 2.295 361 N HA 0.236 4.976 4.740 -0.000 0.000 0.221 361 N C 1.273 176.755 175.510 -0.047 0.000 1.129 361 N CA 0.076 53.084 53.050 -0.069 0.000 0.836 361 N CB 0.183 38.629 38.487 -0.068 0.000 1.040 361 N HN 0.242 nan 8.380 nan 0.000 0.494 362 I N -1.599 118.942 120.570 -0.048 0.000 3.680 362 I HA -0.002 4.168 4.170 -0.000 0.000 0.261 362 I C 1.258 177.371 176.117 -0.007 0.000 1.121 362 I CA 0.157 61.441 61.300 -0.027 0.000 1.429 362 I CB 0.154 38.133 38.000 -0.035 0.000 1.719 362 I HN -0.038 nan 8.210 nan 0.000 0.413 363 V N -0.130 119.767 119.914 -0.028 0.000 3.623 363 V HA 0.550 4.670 4.120 -0.000 0.000 0.271 363 V C 0.792 176.936 176.094 0.083 0.000 1.248 363 V CA 0.171 62.465 62.300 -0.009 0.000 1.156 363 V CB -1.193 30.486 31.823 -0.240 0.000 0.870 363 V HN 0.587 nan 8.190 nan 0.000 0.453 364 G N 0.945 109.780 108.800 0.059 0.000 2.705 364 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.686 364 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.686 364 G C 0.411 175.386 174.900 0.124 0.000 1.285 364 G CA 0.223 45.378 45.100 0.091 0.000 0.800 364 G HN 1.164 nan 8.290 nan 0.000 0.611 365 S N 0.076 115.841 115.700 0.107 0.000 2.348 365 S HA -0.123 4.347 4.470 -0.000 0.000 0.221 365 S C 1.878 176.590 174.600 0.187 0.000 1.033 365 S CA 1.895 60.181 58.200 0.143 0.000 1.010 365 S CB -0.372 62.886 63.200 0.096 0.000 0.891 365 S HN 1.083 nan 8.310 nan 0.000 0.442 366 E N 1.066 121.353 120.200 0.146 0.000 2.049 366 E HA -0.334 4.016 4.350 -0.000 0.000 0.198 366 E C 2.096 178.804 176.600 0.181 0.000 1.007 366 E CA 1.635 58.115 56.400 0.133 0.000 0.809 366 E CB -0.445 29.315 29.700 0.100 0.000 0.749 366 E HN 0.854 nan 8.360 nan 0.000 0.450 367 H N -1.634 117.489 119.070 0.088 0.000 2.319 367 H HA -0.215 4.341 4.556 -0.000 0.000 0.299 367 H C 2.159 177.540 175.328 0.088 0.000 1.092 367 H CA 1.591 57.686 56.048 0.077 0.000 1.302 367 H CB -0.149 29.659 29.762 0.076 0.000 1.373 367 H HN 0.291 nan 8.280 nan 0.000 0.497 368 Y N 1.925 122.297 120.300 0.119 0.000 2.128 368 Y HA -0.274 4.276 4.550 -0.000 0.000 0.284 368 Y C 2.064 177.994 175.900 0.050 0.000 1.154 368 Y CA 2.020 60.134 58.100 0.023 0.000 1.149 368 Y CB -0.489 37.968 38.460 -0.004 0.000 0.976 368 Y HN 0.357 nan 8.280 nan 0.000 0.505 369 D N -0.565 119.851 120.400 0.027 0.000 2.097 369 D HA -0.181 4.459 4.640 -0.000 0.000 0.195 369 D C 2.425 178.686 176.300 -0.065 0.000 0.989 369 D CA 1.858 55.824 54.000 -0.057 0.000 0.827 369 D CB -0.526 40.303 40.800 0.048 0.000 0.966 369 D HN 0.340 nan 8.370 nan 0.000 0.456 370 V N 1.785 121.709 119.914 0.016 0.000 2.261 370 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 370 V C 2.634 178.713 176.094 -0.026 0.000 1.047 370 V CA 1.858 64.174 62.300 0.027 0.000 1.015 370 V CB -0.933 30.932 31.823 0.070 0.000 0.642 370 V HN 0.172 nan 8.190 nan 0.000 0.446 371 A N 0.052 122.859 122.820 -0.022 0.000 1.865 371 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 371 A C 2.376 179.871 177.584 -0.147 0.000 1.191 371 A CA 1.841 53.831 52.037 -0.078 0.000 0.623 371 A CB -0.542 18.439 19.000 -0.032 0.000 0.826 371 A HN 0.392 nan 8.150 nan 0.000 0.444 372 R N -0.755 119.589 120.500 -0.260 0.000 2.081 372 R HA -0.122 4.218 4.340 -0.000 0.000 0.235 372 R C 2.415 178.626 176.300 -0.148 0.000 1.131 372 R CA 1.411 57.348 56.100 -0.273 0.000 0.960 372 R CB -1.551 28.455 30.300 -0.489 0.000 0.856 372 R HN 0.560 nan 8.270 nan 0.000 0.436 373 G N 0.357 109.087 108.800 -0.116 0.000 2.442 373 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.219 373 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.219 373 G C 1.586 176.471 174.900 -0.024 0.000 1.141 373 G CA 0.895 45.964 45.100 -0.052 0.000 0.763 373 G HN 0.191 nan 8.290 nan 0.000 0.554 374 V N 0.392 120.290 119.914 -0.027 0.000 2.307 374 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 374 V C 2.894 178.981 176.094 -0.012 0.000 1.045 374 V CA 2.154 64.452 62.300 -0.003 0.000 1.024 374 V CB -0.632 31.154 31.823 -0.062 0.000 0.651 374 V HN 0.423 nan 8.190 nan 0.000 0.449 375 Q N -0.079 119.694 119.800 -0.045 0.000 2.096 375 Q HA -0.272 4.068 4.340 -0.000 0.000 0.204 375 Q C 2.369 178.359 176.000 -0.016 0.000 0.982 375 Q CA 1.921 57.704 55.803 -0.034 0.000 0.850 375 Q CB -0.272 28.434 28.738 -0.054 0.000 0.901 375 Q HN 0.578 nan 8.270 nan 0.000 0.422 376 K N 1.123 121.508 120.400 -0.024 0.000 1.978 376 K HA -0.186 4.134 4.320 -0.000 0.000 0.214 376 K C 2.089 178.696 176.600 0.013 0.000 1.049 376 K CA 1.364 57.644 56.287 -0.012 0.000 0.939 376 K CB -0.329 32.158 32.500 -0.021 0.000 0.721 376 K HN 0.207 nan 8.250 nan 0.000 0.441 377 I N 1.301 121.882 120.570 0.019 0.000 2.248 377 I HA -0.320 3.850 4.170 -0.000 0.000 0.248 377 I C 1.973 178.137 176.117 0.078 0.000 1.107 377 I CA 1.269 62.592 61.300 0.039 0.000 1.373 377 I CB 0.028 38.045 38.000 0.028 0.000 1.055 377 I HN 0.291 nan 8.210 nan 0.000 0.418 378 L N 0.078 121.346 121.223 0.075 0.000 2.027 378 L HA -0.236 4.104 4.340 -0.000 0.000 0.206 378 L C 2.630 179.552 176.870 0.087 0.000 1.074 378 L CA 1.343 56.250 54.840 0.112 0.000 0.745 378 L CB -0.731 41.373 42.059 0.075 0.000 0.898 378 L HN 0.317 nan 8.230 nan 0.000 0.433 379 Q N 0.437 120.260 119.800 0.038 0.000 2.084 379 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 379 Q C 1.760 177.770 176.000 0.017 0.000 0.978 379 Q CA 1.849 57.657 55.803 0.009 0.000 0.844 379 Q CB -0.191 28.544 28.738 -0.004 0.000 0.898 379 Q HN 0.404 nan 8.270 nan 0.000 0.426 380 D N -0.819 119.607 120.400 0.043 0.000 2.104 380 D HA -0.190 4.450 4.640 -0.000 0.000 0.194 380 D C 1.665 178.022 176.300 0.096 0.000 0.994 380 D CA 1.362 55.394 54.000 0.053 0.000 0.830 380 D CB -0.460 40.373 40.800 0.054 0.000 0.959 380 D HN 0.349 nan 8.370 nan 0.000 0.452 381 Y N 2.100 122.393 120.300 -0.011 0.000 2.181 381 Y HA -0.175 4.375 4.550 -0.000 0.000 0.288 381 Y C 2.232 178.125 175.900 -0.012 0.000 1.146 381 Y CA 1.389 59.482 58.100 -0.011 0.000 1.164 381 Y CB -0.351 38.103 38.460 -0.010 0.000 0.982 381 Y HN -0.177 nan 8.280 nan 0.000 0.515 382 K N -0.464 119.817 120.400 -0.198 0.000 2.103 382 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 382 K C 2.147 178.636 176.600 -0.184 0.000 1.048 382 K CA 1.725 57.843 56.287 -0.281 0.000 0.930 382 K CB -0.166 32.245 32.500 -0.147 0.000 0.716 382 K HN 0.309 nan 8.250 nan 0.000 0.444 383 S N 0.832 116.478 115.700 -0.090 0.000 2.406 383 S HA -0.020 4.450 4.470 -0.000 0.000 0.228 383 S C 1.720 176.295 174.600 -0.042 0.000 1.020 383 S CA 0.728 58.895 58.200 -0.054 0.000 0.965 383 S CB -0.033 63.153 63.200 -0.023 0.000 0.798 383 S HN 0.249 nan 8.310 nan 0.000 0.488 384 L N 1.186 122.397 121.223 -0.020 0.000 2.313 384 L HA -0.047 4.293 4.340 -0.000 0.000 0.214 384 L C 2.561 179.425 176.870 -0.011 0.000 1.119 384 L CA 0.666 55.520 54.840 0.023 0.000 0.809 384 L CB -0.405 41.724 42.059 0.116 0.000 0.933 384 L HN 0.324 nan 8.230 nan 0.000 0.449 385 Q N 0.174 119.901 119.800 -0.122 0.000 1.948 385 Q HA -0.240 4.100 4.340 -0.000 0.000 0.205 385 Q C 1.698 177.651 176.000 -0.078 0.000 0.992 385 Q CA 1.931 57.641 55.803 -0.155 0.000 0.849 385 Q CB -0.196 28.346 28.738 -0.327 0.000 0.918 385 Q HN 0.488 nan 8.270 nan 0.000 0.421 386 D N 0.364 120.715 120.400 -0.082 0.000 2.265 386 D HA -0.139 4.501 4.640 -0.000 0.000 0.208 386 D C 1.852 178.134 176.300 -0.030 0.000 0.977 386 D CA 0.890 54.859 54.000 -0.052 0.000 0.871 386 D CB -0.048 40.720 40.800 -0.052 0.000 0.925 386 D HN 0.304 nan 8.370 nan 0.000 0.485 387 I N 1.274 121.829 120.570 -0.024 0.000 2.252 387 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 387 I C 2.392 178.508 176.117 -0.001 0.000 1.102 387 I CA 0.976 62.271 61.300 -0.009 0.000 1.385 387 I CB -0.074 37.925 38.000 -0.001 0.000 1.064 387 I HN 0.024 nan 8.210 nan 0.000 0.414 388 I N -2.373 118.199 120.570 0.005 0.000 3.956 388 I HA 0.304 4.474 4.170 -0.000 0.000 0.333 388 I C 2.363 178.484 176.117 0.007 0.000 1.302 388 I CA 0.276 61.584 61.300 0.012 0.000 1.122 388 I CB -0.311 37.706 38.000 0.029 0.000 1.013 388 I HN -0.044 nan 8.210 nan 0.000 0.405 389 A N 3.095 125.913 122.820 -0.004 0.000 1.916 389 A HA -0.218 4.102 4.320 -0.000 0.000 0.224 389 A C 1.382 178.964 177.584 -0.002 0.000 1.366 389 A CA 2.373 54.405 52.037 -0.008 0.000 0.692 389 A CB -0.842 18.147 19.000 -0.018 0.000 0.841 389 A HN 0.590 nan 8.150 nan 0.000 0.480 390 I N -1.604 118.965 120.570 -0.002 0.000 2.944 390 I HA 0.366 4.536 4.170 -0.000 0.000 0.334 390 I C -0.523 175.594 176.117 0.001 0.000 1.420 390 I CA 0.467 61.767 61.300 -0.000 0.000 0.856 390 I CB 0.906 38.904 38.000 -0.002 0.000 2.091 390 I HN 0.160 nan 8.210 nan 0.000 0.571 391 L N 1.580 122.805 121.223 0.004 0.000 2.928 391 L HA 0.530 4.870 4.340 -0.000 0.000 0.318 391 L C 1.115 177.989 176.870 0.008 0.000 1.305 391 L CA -0.379 54.464 54.840 0.005 0.000 0.756 391 L CB 0.634 42.694 42.059 0.003 0.000 1.155 391 L HN 0.542 nan 8.230 nan 0.000 0.561 392 G N 1.003 109.808 108.800 0.008 0.000 2.583 392 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.292 392 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.292 392 G C 0.317 175.226 174.900 0.014 0.000 1.203 392 G CA 1.107 46.213 45.100 0.010 0.000 0.987 392 G HN 0.408 nan 8.290 nan 0.000 0.554 393 M N -2.770 116.839 119.600 0.014 0.000 1.473 393 M HA 0.104 4.584 4.480 -0.000 0.000 0.194 393 M C -0.916 175.392 176.300 0.015 0.000 0.923 393 M CA 0.552 55.863 55.300 0.018 0.000 0.796 393 M CB -0.098 32.514 32.600 0.021 0.000 1.725 393 M HN 0.397 nan 8.290 nan 0.000 0.663 394 D N 3.416 123.823 120.400 0.011 0.000 2.542 394 D HA 0.038 4.678 4.640 -0.000 0.000 0.242 394 D C 0.278 176.583 176.300 0.008 0.000 1.207 394 D CA 0.797 54.802 54.000 0.008 0.000 1.172 394 D CB 0.535 41.339 40.800 0.007 0.000 1.126 394 D HN 0.389 nan 8.370 nan 0.000 0.500 395 E N -0.015 120.190 120.200 0.009 0.000 2.370 395 E HA 0.058 4.408 4.350 -0.000 0.000 0.195 395 E C 0.615 177.220 176.600 0.009 0.000 1.001 395 E CA -0.041 56.364 56.400 0.008 0.000 1.531 395 E CB 0.420 30.125 29.700 0.008 0.000 2.982 395 E HN 0.314 nan 8.360 nan 0.000 1.057 396 L N 2.953 124.182 121.223 0.011 0.000 2.456 396 L HA 0.119 4.459 4.340 -0.000 0.000 0.272 396 L C 1.139 178.014 176.870 0.008 0.000 1.189 396 L CA -0.005 54.842 54.840 0.013 0.000 0.846 396 L CB 0.381 42.451 42.059 0.018 0.000 1.111 396 L HN 0.043 nan 8.230 nan 0.000 0.475 397 S N 1.259 116.964 115.700 0.007 0.000 2.617 397 S HA 0.105 4.575 4.470 -0.000 0.000 0.259 397 S C 0.930 175.531 174.600 0.002 0.000 1.301 397 S CA -0.801 57.402 58.200 0.004 0.000 0.984 397 S CB 0.998 64.200 63.200 0.004 0.000 0.954 397 S HN 0.575 nan 8.310 nan 0.000 0.572 398 E N 0.994 121.195 120.200 0.000 0.000 2.097 398 E HA -0.162 4.188 4.350 -0.000 0.000 0.196 398 E C 1.955 178.552 176.600 -0.005 0.000 1.000 398 E CA 1.306 57.704 56.400 -0.002 0.000 0.804 398 E CB -0.388 29.310 29.700 -0.002 0.000 0.740 398 E HN 0.662 nan 8.360 nan 0.000 0.454 399 E N 0.981 121.179 120.200 -0.002 0.000 2.051 399 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 399 E C 1.791 178.389 176.600 -0.003 0.000 0.991 399 E CA 1.037 57.435 56.400 -0.003 0.000 0.799 399 E CB -0.292 29.409 29.700 0.001 0.000 0.748 399 E HN 0.269 nan 8.360 nan 0.000 0.449 400 D N 0.843 121.245 120.400 0.003 0.000 2.097 400 D HA -0.158 4.482 4.640 -0.000 0.000 0.195 400 D C 1.944 178.243 176.300 -0.002 0.000 0.989 400 D CA 1.596 55.602 54.000 0.010 0.000 0.827 400 D CB -0.272 40.539 40.800 0.019 0.000 0.966 400 D HN 0.330 nan 8.370 nan 0.000 0.456 401 K N 0.294 120.690 120.400 -0.007 0.000 2.283 401 K HA -0.091 4.229 4.320 -0.000 0.000 0.202 401 K C 1.922 178.498 176.600 -0.039 0.000 1.048 401 K CA 0.671 56.947 56.287 -0.020 0.000 0.948 401 K CB -0.192 32.300 32.500 -0.012 0.000 0.742 401 K HN 0.116 nan 8.250 nan 0.000 0.458 402 L N 2.572 123.776 121.223 -0.032 0.000 2.102 402 L HA -0.086 4.254 4.340 -0.000 0.000 0.202 402 L C 2.411 179.245 176.870 -0.061 0.000 1.076 402 L CA 2.160 56.976 54.840 -0.040 0.000 0.761 402 L CB -0.671 41.373 42.059 -0.025 0.000 0.921 402 L HN 0.452 nan 8.230 nan 0.000 0.444 403 T N -3.637 110.889 114.554 -0.048 0.000 2.746 403 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 403 T C 1.889 176.515 174.700 -0.124 0.000 1.039 403 T CA 1.536 63.605 62.100 -0.052 0.000 1.142 403 T CB -1.203 67.661 68.868 -0.006 0.000 0.866 403 T HN 0.117 nan 8.240 nan 0.000 0.444 404 V N 2.086 121.907 119.914 -0.155 0.000 2.231 404 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 404 V C 3.115 178.952 176.094 -0.429 0.000 1.054 404 V CA 2.372 64.441 62.300 -0.385 0.000 1.015 404 V CB -1.190 30.498 31.823 -0.225 0.000 0.638 404 V HN 0.558 nan 8.190 nan 0.000 0.444 405 S N -0.552 115.004 115.700 -0.239 0.000 2.359 405 S HA -0.261 4.209 4.470 -0.000 0.000 0.223 405 S C 2.058 176.536 174.600 -0.202 0.000 1.039 405 S CA 1.899 59.986 58.200 -0.189 0.000 1.042 405 S CB -0.413 62.723 63.200 -0.107 0.000 0.915 405 S HN 0.502 nan 8.310 nan 0.000 0.439 406 R N 1.125 121.520 120.500 -0.174 0.000 2.080 406 R HA -0.066 4.274 4.340 -0.000 0.000 0.236 406 R C 2.707 178.900 176.300 -0.179 0.000 1.137 406 R CA 1.353 57.350 56.100 -0.171 0.000 0.943 406 R CB -0.706 29.527 30.300 -0.111 0.000 0.846 406 R HN 0.430 nan 8.270 nan 0.000 0.431 407 A N 1.476 124.194 122.820 -0.170 0.000 1.917 407 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 407 A C 2.142 179.650 177.584 -0.127 0.000 1.182 407 A CA 1.584 53.554 52.037 -0.112 0.000 0.633 407 A CB -0.478 18.466 19.000 -0.093 0.000 0.819 407 A HN 0.278 nan 8.150 nan 0.000 0.448 408 R N -0.339 119.999 120.500 -0.271 0.000 2.081 408 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 408 R C 2.229 178.467 176.300 -0.103 0.000 1.131 408 R CA 1.598 57.594 56.100 -0.173 0.000 0.960 408 R CB -0.316 29.844 30.300 -0.233 0.000 0.856 408 R HN 0.535 nan 8.270 nan 0.000 0.436 409 K N 0.626 120.908 120.400 -0.196 0.000 2.057 409 K HA -0.090 4.230 4.320 -0.000 0.000 0.207 409 K C 2.125 178.545 176.600 -0.300 0.000 1.049 409 K CA 1.295 57.372 56.287 -0.350 0.000 0.931 409 K CB -0.168 31.904 32.500 -0.715 0.000 0.714 409 K HN 0.148 nan 8.250 nan 0.000 0.440 410 I N 1.372 121.834 120.570 -0.180 0.000 2.226 410 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 410 I C 2.886 179.129 176.117 0.209 0.000 1.100 410 I CA 1.253 62.597 61.300 0.073 0.000 1.374 410 I CB -0.330 37.769 38.000 0.165 0.000 1.057 410 I HN 0.306 nan 8.210 nan 0.000 0.413 411 Q N 1.453 121.327 119.800 0.122 0.000 2.030 411 Q HA -0.240 4.100 4.340 -0.000 0.000 0.204 411 Q C 2.284 178.380 176.000 0.160 0.000 0.986 411 Q CA 1.806 57.691 55.803 0.136 0.000 0.843 411 Q CB -0.016 28.790 28.738 0.112 0.000 0.904 411 Q HN 0.441 nan 8.270 nan 0.000 0.420 412 R N -0.857 119.742 120.500 0.164 0.000 2.236 412 R HA -0.053 4.287 4.340 -0.000 0.000 0.208 412 R C 1.684 178.182 176.300 0.330 0.000 1.036 412 R CA 0.537 56.796 56.100 0.264 0.000 1.001 412 R CB -0.040 30.416 30.300 0.261 0.000 0.896 412 R HN 0.250 nan 8.270 nan 0.000 0.464 413 F N 0.623 120.625 119.950 0.087 0.000 2.789 413 F HA 0.151 4.678 4.527 -0.000 0.000 0.300 413 F C 1.323 177.197 175.800 0.124 0.000 1.132 413 F CA 0.307 58.330 58.000 0.037 0.000 1.404 413 F CB 0.175 39.032 39.000 -0.238 0.000 1.114 413 F HN -0.113 nan 8.300 nan 0.000 0.584 414 L N -0.326 120.983 121.223 0.143 0.000 2.179 414 L HA -0.005 4.335 4.340 -0.000 0.000 0.208 414 L C 1.255 178.119 176.870 -0.010 0.000 1.096 414 L CA 0.420 55.326 54.840 0.110 0.000 0.779 414 L CB -0.745 41.395 42.059 0.135 0.000 0.922 414 L HN 0.064 nan 8.230 nan 0.000 0.443 415 S N 0.387 116.092 115.700 0.008 0.000 2.516 415 S HA 0.141 4.611 4.470 -0.000 0.000 0.282 415 S C -0.274 174.243 174.600 -0.138 0.000 1.286 415 S CA -0.427 57.742 58.200 -0.051 0.000 1.066 415 S CB 1.168 64.385 63.200 0.029 0.000 0.884 415 S HN 0.277 nan 8.310 nan 0.000 0.491 416 Q N 2.980 122.652 119.800 -0.213 0.000 2.310 416 Q HA 0.382 4.722 4.340 -0.000 0.000 0.270 416 Q C -2.826 173.034 176.000 -0.234 0.000 1.025 416 Q CA -2.658 53.042 55.803 -0.171 0.000 0.772 416 Q CB 2.065 30.780 28.738 -0.038 0.000 1.253 416 Q HN 0.469 nan 8.270 nan 0.000 0.450 417 P HA 0.027 nan 4.420 nan 0.000 0.264 417 P C -0.984 176.422 177.300 0.177 0.000 1.229 417 P CA 0.146 63.231 63.100 -0.023 0.000 0.780 417 P CB 0.076 31.767 31.700 -0.014 0.000 0.808 418 F N 2.201 122.182 119.950 0.051 0.000 2.396 418 F HA 0.195 4.722 4.527 -0.000 0.000 0.343 418 F C 2.128 177.950 175.800 0.036 0.000 1.104 418 F CA -0.906 57.123 58.000 0.049 0.000 1.161 418 F CB 0.643 39.686 39.000 0.073 0.000 1.146 418 F HN 0.424 nan 8.300 nan 0.000 0.522 419 Q N 1.814 121.731 119.800 0.196 0.000 2.084 419 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 419 Q C 1.586 177.627 176.000 0.068 0.000 0.978 419 Q CA 1.672 57.527 55.803 0.087 0.000 0.844 419 Q CB 0.142 28.898 28.738 0.031 0.000 0.898 419 Q HN 0.583 nan 8.270 nan 0.000 0.426 420 V N 0.857 120.822 119.914 0.084 0.000 2.343 420 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 420 V C 1.891 178.061 176.094 0.126 0.000 1.051 420 V CA 1.729 64.075 62.300 0.077 0.000 1.036 420 V CB -0.692 31.176 31.823 0.075 0.000 0.654 420 V HN 0.451 nan 8.190 nan 0.000 0.451 421 A N -0.974 121.988 122.820 0.237 0.000 2.476 421 A HA 0.143 4.463 4.320 -0.000 0.000 0.263 421 A C 1.761 179.401 177.584 0.093 0.000 1.342 421 A CA -0.040 52.181 52.037 0.306 0.000 0.926 421 A CB -0.498 18.726 19.000 0.374 0.000 1.019 421 A HN 0.564 nan 8.150 nan 0.000 0.515 422 E N -0.239 119.959 120.200 -0.004 0.000 2.110 422 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 422 E C 1.737 178.246 176.600 -0.152 0.000 0.988 422 E CA 1.687 58.061 56.400 -0.043 0.000 0.804 422 E CB -0.166 29.510 29.700 -0.040 0.000 0.745 422 E HN 0.664 nan 8.360 nan 0.000 0.458 423 V N -1.750 117.961 119.914 -0.337 0.000 3.510 423 V HA -0.033 4.087 4.120 -0.000 0.000 0.270 423 V C 1.012 176.801 176.094 -0.508 0.000 1.201 423 V CA 0.976 63.001 62.300 -0.459 0.000 1.166 423 V CB -0.578 30.886 31.823 -0.599 0.000 0.825 423 V HN 0.077 nan 8.190 nan 0.000 0.484 424 F N 0.924 120.835 119.950 -0.065 0.000 2.778 424 F HA 0.223 4.750 4.527 -0.000 0.000 0.314 424 F C 2.318 178.046 175.800 -0.119 0.000 1.073 424 F CA 0.725 58.665 58.000 -0.100 0.000 1.218 424 F CB -0.318 38.600 39.000 -0.137 0.000 1.037 424 F HN 0.259 nan 8.300 nan 0.000 0.594 425 T N -3.547 111.041 114.554 0.057 0.000 3.037 425 T HA 0.339 4.689 4.350 -0.000 0.000 0.252 425 T C 1.761 176.366 174.700 -0.160 0.000 1.073 425 T CA 0.614 62.738 62.100 0.040 0.000 1.091 425 T CB -0.098 68.847 68.868 0.127 0.000 0.935 425 T HN 0.369 nan 8.240 nan 0.000 0.488 426 G N 1.444 110.126 108.800 -0.196 0.000 2.273 426 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.280 426 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.280 426 G C -0.176 174.396 174.900 -0.546 0.000 1.047 426 G CA 0.571 45.472 45.100 -0.331 0.000 0.869 426 G HN 0.877 nan 8.290 nan 0.000 0.502 427 H N -2.520 116.532 119.070 -0.030 0.000 2.990 427 H HA 0.643 5.199 4.556 -0.000 0.000 0.343 427 H C -0.293 175.023 175.328 -0.021 0.000 1.270 427 H CA -1.119 54.911 56.048 -0.030 0.000 1.118 427 H CB 1.297 31.033 29.762 -0.044 0.000 1.861 427 H HN 0.257 nan 8.280 nan 0.000 0.544 428 L N 0.934 122.235 121.223 0.130 0.000 2.418 428 L HA 0.473 4.813 4.340 -0.000 0.000 0.265 428 L C 0.576 177.489 176.870 0.071 0.000 1.143 428 L CA 0.113 54.992 54.840 0.066 0.000 0.809 428 L CB 0.729 42.813 42.059 0.043 0.000 1.124 428 L HN 0.790 nan 8.230 nan 0.000 0.456 429 G N 3.600 112.438 108.800 0.062 0.000 2.378 429 G HA2 0.373 4.333 3.960 -0.000 0.000 0.255 429 G HA3 0.373 4.333 3.960 -0.000 0.000 0.255 429 G C -0.613 174.327 174.900 0.067 0.000 1.270 429 G CA -0.486 44.664 45.100 0.084 0.000 0.876 429 G HN 0.492 nan 8.290 nan 0.000 0.521 430 K N 1.356 121.807 120.400 0.085 0.000 2.385 430 K HA 0.549 4.869 4.320 -0.000 0.000 0.248 430 K C -1.106 175.543 176.600 0.082 0.000 0.955 430 K CA -0.810 55.513 56.287 0.059 0.000 0.816 430 K CB 2.909 35.427 32.500 0.030 0.000 1.250 430 K HN 0.427 nan 8.250 nan 0.000 0.434 431 L N 1.188 122.444 121.223 0.054 0.000 2.410 431 L HA 0.488 4.828 4.340 -0.000 0.000 0.270 431 L C -1.408 175.485 176.870 0.040 0.000 0.983 431 L CA -0.898 53.974 54.840 0.052 0.000 0.822 431 L CB 1.889 43.968 42.059 0.034 0.000 1.285 431 L HN 0.253 nan 8.230 nan 0.000 0.409 432 V N 5.843 125.781 119.914 0.040 0.000 2.448 432 V HA 0.496 4.616 4.120 -0.000 0.000 0.295 432 V C -2.072 174.043 176.094 0.035 0.000 1.025 432 V CA -1.473 60.848 62.300 0.035 0.000 0.859 432 V CB 1.587 33.426 31.823 0.027 0.000 0.988 432 V HN 0.658 nan 8.190 nan 0.000 0.431 433 P HA 0.110 nan 4.420 nan 0.000 0.275 433 P C 0.834 178.151 177.300 0.028 0.000 1.227 433 P CA -0.331 62.787 63.100 0.030 0.000 0.781 433 P CB 1.490 33.208 31.700 0.030 0.000 0.906 434 L N 4.310 125.542 121.223 0.014 0.000 2.034 434 L HA -0.266 4.074 4.340 -0.000 0.000 0.217 434 L C 2.340 179.198 176.870 -0.021 0.000 1.077 434 L CA 2.196 57.027 54.840 -0.014 0.000 0.769 434 L CB -1.116 40.934 42.059 -0.015 0.000 0.890 434 L HN 0.352 nan 8.230 nan 0.000 0.435 435 K N -0.816 119.585 120.400 0.002 0.000 2.020 435 K HA -0.204 4.116 4.320 -0.000 0.000 0.212 435 K C 1.986 178.611 176.600 0.043 0.000 1.050 435 K CA 1.783 58.078 56.287 0.014 0.000 0.929 435 K CB -0.311 32.204 32.500 0.025 0.000 0.714 435 K HN 0.398 nan 8.250 nan 0.000 0.443 436 E N 0.214 120.450 120.200 0.059 0.000 2.150 436 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 436 E C 2.098 178.787 176.600 0.149 0.000 0.985 436 E CA 1.204 57.660 56.400 0.092 0.000 0.814 436 E CB -0.326 29.423 29.700 0.082 0.000 0.752 436 E HN 0.340 nan 8.360 nan 0.000 0.466 437 T N 1.824 116.463 114.554 0.140 0.000 2.674 437 T HA -0.092 4.258 4.350 -0.000 0.000 0.265 437 T C 2.185 177.086 174.700 0.334 0.000 1.039 437 T CA 1.051 63.300 62.100 0.250 0.000 1.150 437 T CB -0.251 68.695 68.868 0.130 0.000 0.864 437 T HN 0.109 nan 8.240 nan 0.000 0.427 438 I N 1.056 121.697 120.570 0.118 0.000 2.179 438 I HA -0.200 3.970 4.170 -0.000 0.000 0.242 438 I C 2.664 178.882 176.117 0.169 0.000 1.088 438 I CA 1.378 62.726 61.300 0.080 0.000 1.357 438 I CB -0.427 37.533 38.000 -0.068 0.000 1.051 438 I HN 0.229 nan 8.210 nan 0.000 0.409 439 K N 1.345 121.828 120.400 0.138 0.000 2.000 439 K HA -0.225 4.095 4.320 -0.000 0.000 0.218 439 K C 2.145 178.851 176.600 0.177 0.000 1.053 439 K CA 2.183 58.551 56.287 0.135 0.000 0.946 439 K CB -0.695 31.872 32.500 0.111 0.000 0.723 439 K HN 0.357 nan 8.250 nan 0.000 0.446 440 G N 0.411 109.329 108.800 0.197 0.000 2.514 440 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 440 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 440 G C 1.374 176.324 174.900 0.083 0.000 1.198 440 G CA 1.225 46.398 45.100 0.121 0.000 0.780 440 G HN 0.347 nan 8.290 nan 0.000 0.565 441 F N 0.666 120.752 119.950 0.227 0.000 2.171 441 F HA -0.041 4.486 4.527 -0.000 0.000 0.300 441 F C 2.944 178.794 175.800 0.085 0.000 1.090 441 F CA 1.685 59.782 58.000 0.162 0.000 1.293 441 F CB -0.370 38.725 39.000 0.159 0.000 1.013 441 F HN 0.188 nan 8.300 nan 0.000 0.486 442 Q N 0.160 120.116 119.800 0.260 0.000 2.124 442 Q HA -0.250 4.090 4.340 -0.000 0.000 0.202 442 Q C 2.096 178.160 176.000 0.106 0.000 0.977 442 Q CA 1.707 57.601 55.803 0.151 0.000 0.850 442 Q CB -0.090 28.720 28.738 0.120 0.000 0.901 442 Q HN 0.512 nan 8.270 nan 0.000 0.429 443 Q N -0.195 119.678 119.800 0.122 0.000 2.123 443 Q HA -0.094 4.246 4.340 -0.000 0.000 0.199 443 Q C 2.084 178.123 176.000 0.066 0.000 0.966 443 Q CA 1.172 57.026 55.803 0.086 0.000 0.845 443 Q CB 0.059 28.923 28.738 0.211 0.000 0.907 443 Q HN 0.472 nan 8.270 nan 0.000 0.439 444 I N 0.582 121.208 120.570 0.094 0.000 2.315 444 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 444 I C 2.083 178.194 176.117 -0.011 0.000 1.117 444 I CA 0.953 62.255 61.300 0.004 0.000 1.404 444 I CB -0.210 37.686 38.000 -0.173 0.000 1.071 444 I HN 0.201 nan 8.210 nan 0.000 0.419 445 L N 0.698 121.942 121.223 0.034 0.000 2.046 445 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 445 L C 2.738 179.611 176.870 0.005 0.000 1.077 445 L CA 1.272 56.129 54.840 0.028 0.000 0.747 445 L CB -0.665 41.427 42.059 0.055 0.000 0.896 445 L HN 0.227 nan 8.230 nan 0.000 0.432 446 A N -0.301 122.520 122.820 0.002 0.000 2.172 446 A HA 0.083 4.403 4.320 -0.000 0.000 0.216 446 A C 1.827 179.389 177.584 -0.036 0.000 1.154 446 A CA 0.980 53.007 52.037 -0.017 0.000 0.701 446 A CB -0.738 18.247 19.000 -0.024 0.000 0.789 446 A HN 0.586 nan 8.150 nan 0.000 0.465 447 G N -0.813 107.962 108.800 -0.041 0.000 2.153 447 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.252 447 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.252 447 G C 0.552 175.408 174.900 -0.073 0.000 0.994 447 G CA 0.770 45.842 45.100 -0.047 0.000 0.698 447 G HN 0.627 nan 8.290 nan 0.000 0.521 448 E N -1.052 119.055 120.200 -0.156 0.000 2.077 448 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 448 E C 0.936 177.316 176.600 -0.366 0.000 0.989 448 E CA 1.249 57.475 56.400 -0.290 0.000 0.800 448 E CB -0.083 29.307 29.700 -0.517 0.000 0.746 448 E HN 0.698 nan 8.360 nan 0.000 0.452 449 Y N 0.808 121.037 120.300 -0.117 0.000 2.775 449 Y HA 0.084 4.634 4.550 -0.000 0.000 0.349 449 Y C 0.423 176.188 175.900 -0.225 0.000 1.094 449 Y CA -0.199 57.728 58.100 -0.289 0.000 1.467 449 Y CB 0.132 38.533 38.460 -0.098 0.000 1.272 449 Y HN -0.089 nan 8.280 nan 0.000 0.515 450 D N -0.693 119.672 120.400 -0.059 0.000 2.336 450 D HA -0.063 4.577 4.640 -0.000 0.000 0.229 450 D C 1.180 177.511 176.300 0.052 0.000 1.061 450 D CA 0.624 54.627 54.000 0.005 0.000 0.875 450 D CB -0.207 40.602 40.800 0.016 0.000 0.904 450 D HN 0.600 nan 8.370 nan 0.000 0.525 451 H N -0.757 118.362 119.070 0.082 0.000 2.472 451 H HA 0.356 4.912 4.556 -0.000 0.000 0.287 451 H C -0.233 175.137 175.328 0.071 0.000 1.112 451 H CA -0.255 55.827 56.048 0.057 0.000 1.021 451 H CB -0.055 29.725 29.762 0.030 0.000 1.635 451 H HN -0.013 nan 8.280 nan 0.000 0.559 452 L N 1.998 123.219 121.223 -0.003 0.000 2.422 452 L HA 0.441 4.781 4.340 -0.000 0.000 0.264 452 L C -2.524 174.395 176.870 0.082 0.000 0.984 452 L CA -2.275 52.559 54.840 -0.010 0.000 0.819 452 L CB 2.870 44.837 42.059 -0.154 0.000 1.330 452 L HN 0.020 nan 8.230 nan 0.000 0.410 453 P HA 0.105 nan 4.420 nan 0.000 0.272 453 P C -0.042 177.360 177.300 0.170 0.000 1.223 453 P CA -0.198 62.946 63.100 0.072 0.000 0.784 453 P CB 1.115 32.830 31.700 0.026 0.000 0.923 454 E N 0.655 120.958 120.200 0.171 0.000 2.097 454 E HA -0.224 4.126 4.350 -0.000 0.000 0.196 454 E C 1.821 178.591 176.600 0.284 0.000 1.000 454 E CA 1.207 57.747 56.400 0.233 0.000 0.804 454 E CB -0.148 29.602 29.700 0.083 0.000 0.740 454 E HN 0.470 nan 8.360 nan 0.000 0.454 455 Q N -0.264 119.628 119.800 0.152 0.000 2.439 455 Q HA -0.065 4.275 4.340 -0.000 0.000 0.211 455 Q C 1.890 177.952 176.000 0.103 0.000 0.978 455 Q CA 0.916 56.815 55.803 0.159 0.000 0.897 455 Q CB -0.061 28.739 28.738 0.104 0.000 0.956 455 Q HN 0.268 nan 8.270 nan 0.000 0.483 456 A N -0.711 122.085 122.820 -0.040 0.000 2.119 456 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 456 A C 1.287 178.597 177.584 -0.458 0.000 1.153 456 A CA 0.660 52.499 52.037 -0.329 0.000 0.692 456 A CB -0.280 18.371 19.000 -0.582 0.000 0.799 456 A HN 0.271 nan 8.150 nan 0.000 0.458 457 F N -3.155 116.797 119.950 0.004 0.000 2.694 457 F HA 0.219 4.746 4.527 -0.000 0.000 0.292 457 F C 0.683 176.590 175.800 0.178 0.000 1.121 457 F CA -0.747 57.297 58.000 0.074 0.000 1.352 457 F CB -0.252 38.761 39.000 0.021 0.000 1.107 457 F HN 0.220 nan 8.300 nan 0.000 0.597 458 Y N 3.527 123.944 120.300 0.195 0.000 2.770 458 Y HA 0.152 4.702 4.550 -0.000 0.000 0.342 458 Y C 0.490 176.407 175.900 0.027 0.000 1.221 458 Y CA -0.986 57.180 58.100 0.110 0.000 1.560 458 Y CB -0.408 38.101 38.460 0.082 0.000 1.213 458 Y HN 0.098 nan 8.280 nan 0.000 0.525 459 M N 5.859 125.263 119.600 -0.328 0.000 3.691 459 M HA -0.163 4.317 4.480 -0.000 0.000 0.163 459 M C -1.093 175.027 176.300 -0.300 0.000 1.457 459 M CA 1.091 56.126 55.300 -0.442 0.000 0.984 459 M CB -2.359 29.761 32.600 -0.801 0.000 1.313 459 M HN 0.513 nan 8.290 nan 0.000 0.471 460 V N -1.341 118.491 119.914 -0.137 0.000 3.076 460 V HA 1.120 5.240 4.120 -0.000 0.000 0.311 460 V C 0.408 176.473 176.094 -0.048 0.000 1.346 460 V CA -0.028 62.224 62.300 -0.079 0.000 1.056 460 V CB 1.689 33.517 31.823 0.008 0.000 1.093 460 V HN 0.598 nan 8.190 nan 0.000 0.468 461 G N -0.685 108.110 108.800 -0.007 0.000 3.441 461 G HA2 0.637 4.597 3.960 -0.000 0.000 0.195 461 G HA3 0.637 4.597 3.960 -0.000 0.000 0.195 461 G C -2.721 172.214 174.900 0.059 0.000 1.633 461 G CA -0.975 44.127 45.100 0.002 0.000 0.895 461 G HN 0.685 nan 8.290 nan 0.000 0.654 462 P HA 0.146 nan 4.420 nan 0.000 0.271 462 P C 0.817 178.193 177.300 0.128 0.000 1.233 462 P CA -0.476 62.688 63.100 0.107 0.000 0.789 462 P CB 0.867 32.599 31.700 0.053 0.000 0.951 463 I N 1.292 121.930 120.570 0.113 0.000 2.423 463 I HA -0.253 3.917 4.170 -0.000 0.000 0.254 463 I C 1.553 177.521 176.117 -0.247 0.000 1.151 463 I CA 1.830 63.023 61.300 -0.179 0.000 1.421 463 I CB -0.624 37.178 38.000 -0.330 0.000 1.079 463 I HN 0.273 nan 8.210 nan 0.000 0.431 464 E N 0.705 120.840 120.200 -0.108 0.000 2.085 464 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 464 E C 2.148 178.681 176.600 -0.112 0.000 0.994 464 E CA 1.531 57.876 56.400 -0.092 0.000 0.801 464 E CB -0.283 29.399 29.700 -0.030 0.000 0.743 464 E HN 0.583 nan 8.360 nan 0.000 0.453 465 E N -0.242 119.907 120.200 -0.084 0.000 2.150 465 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 465 E C 1.917 178.422 176.600 -0.159 0.000 0.985 465 E CA 0.799 57.147 56.400 -0.088 0.000 0.814 465 E CB -0.071 29.600 29.700 -0.048 0.000 0.752 465 E HN 0.259 nan 8.360 nan 0.000 0.466 466 A N 0.822 123.499 122.820 -0.238 0.000 1.872 466 A HA -0.107 4.212 4.320 -0.000 0.000 0.214 466 A C 2.478 179.764 177.584 -0.496 0.000 1.187 466 A CA 0.944 52.710 52.037 -0.452 0.000 0.614 466 A CB -0.519 18.059 19.000 -0.704 0.000 0.826 466 A HN 0.093 nan 8.150 nan 0.000 0.442 467 V N 0.061 119.719 119.914 -0.426 0.000 2.261 467 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 467 V C 3.071 179.064 176.094 -0.170 0.000 1.047 467 V CA 1.947 64.074 62.300 -0.289 0.000 1.015 467 V CB -1.408 30.311 31.823 -0.173 0.000 0.642 467 V HN 0.593 nan 8.190 nan 0.000 0.446 468 A N -0.026 122.713 122.820 -0.135 0.000 1.908 468 A HA -0.305 4.015 4.320 -0.000 0.000 0.218 468 A C 2.363 179.890 177.584 -0.095 0.000 1.181 468 A CA 2.399 54.384 52.037 -0.086 0.000 0.627 468 A CB -0.561 18.398 19.000 -0.068 0.000 0.818 468 A HN 0.548 nan 8.150 nan 0.000 0.445 469 K N -0.357 119.964 120.400 -0.132 0.000 2.097 469 K HA -0.089 4.231 4.320 -0.000 0.000 0.206 469 K C 2.158 178.683 176.600 -0.125 0.000 1.049 469 K CA 1.216 57.429 56.287 -0.123 0.000 0.933 469 K CB -0.357 32.051 32.500 -0.152 0.000 0.717 469 K HN 0.365 nan 8.250 nan 0.000 0.442 470 A N 1.897 124.611 122.820 -0.175 0.000 1.865 470 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 470 A C 1.768 179.309 177.584 -0.071 0.000 1.191 470 A CA 2.106 54.054 52.037 -0.147 0.000 0.623 470 A CB -0.729 18.157 19.000 -0.190 0.000 0.826 470 A HN 0.430 nan 8.150 nan 0.000 0.444 471 D N -0.743 119.625 120.400 -0.054 0.000 2.144 471 D HA -0.143 4.497 4.640 -0.000 0.000 0.199 471 D C 1.878 178.163 176.300 -0.025 0.000 0.984 471 D CA 1.475 55.460 54.000 -0.024 0.000 0.834 471 D CB -0.216 40.574 40.800 -0.015 0.000 0.955 471 D HN 0.603 nan 8.370 nan 0.000 0.465 472 K N 0.692 121.070 120.400 -0.036 0.000 2.148 472 K HA -0.042 4.278 4.320 -0.000 0.000 0.204 472 K C 1.210 177.797 176.600 -0.021 0.000 1.050 472 K CA 0.403 56.674 56.287 -0.027 0.000 0.942 472 K CB 0.006 32.487 32.500 -0.033 0.000 0.724 472 K HN 0.108 nan 8.250 nan 0.000 0.446 473 L N 1.448 122.654 121.223 -0.028 0.000 2.919 473 L HA 0.114 4.454 4.340 -0.000 0.000 0.242 473 L C 1.360 178.224 176.870 -0.009 0.000 1.366 473 L CA -0.440 54.390 54.840 -0.017 0.000 1.212 473 L CB 0.092 42.136 42.059 -0.025 0.000 1.604 473 L HN 0.204 nan 8.230 nan 0.000 0.433 474 A N -0.169 122.648 122.820 -0.006 0.000 2.015 474 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 474 A C 0.942 178.527 177.584 0.002 0.000 1.163 474 A CA 1.258 53.294 52.037 -0.002 0.000 0.646 474 A CB 0.065 19.064 19.000 -0.002 0.000 0.806 474 A HN 0.526 nan 8.150 nan 0.000 0.448 475 E N 0.000 120.202 120.200 0.003 0.000 2.725 475 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 475 E CA 0.000 56.404 56.400 0.006 0.000 0.976 475 E CB 0.000 29.703 29.700 0.006 0.000 0.812 475 E HN 0.000 nan 8.360 nan 0.000 0.440