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 3amj_1_B DATA FIRST_RESID 21 DATA SEQUENCE AIKIEHWTAP SGAQVYYVEN RTLPMLDVQV DFDAGSAREP ADQVGVASMT DATA SEQUENCE ASLMDAGTGS GKSALDENAI ADRLADIGAR LGGGAEADRA SFSLRVLSSP DATA SEQUENCE AERNSALTIL RDILAHPTFP APVLERERAR AIAGLREAQT QPGSILGRRF DATA SEQUENCE TELAYGKHPY GHVSSVATLQ KISRDQLVSF HRTHYVARTA VVTLVGDITR DATA SEQUENCE AEAETIAQQL TADLPAGATL PPLPDPAMPR ATVERIANPA TQAHIAIGMP DATA SEQUENCE TLKRGDPDFF PLVVGNYALG GGGFESRLMK EIRDKRGLSY GAYSYFSPQK DATA SEQUENCE SMGLFQIGFE TRAEKADEAV QVANDTLDAF LREGPTDAEL QAAKDNLING DATA SEQUENCE FALRLDSNAK ILGQVAVIGY YGLPLDYLDH YTERVQAVTV EQVREAFARH DATA SEQUENCE VKRENLITVV VGGK 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 21 A HA 0.000 nan 4.320 nan 0.000 0.244 21 A C 0.000 177.587 177.584 0.005 0.000 1.274 21 A CA 0.000 52.050 52.037 0.022 0.000 0.836 21 A CB 0.000 19.008 19.000 0.013 0.000 0.831 22 I N -1.523 119.048 120.570 0.002 0.000 2.707 22 I HA 0.688 4.857 4.170 -0.000 0.000 0.309 22 I C -0.269 175.849 176.117 0.001 0.000 1.001 22 I CA -0.900 60.394 61.300 -0.009 0.000 1.129 22 I CB 1.740 39.725 38.000 -0.024 0.000 1.308 22 I HN 0.043 nan 8.210 nan 0.000 0.466 23 K N 5.578 125.970 120.400 -0.013 0.000 2.299 23 K HA 0.520 4.840 4.320 -0.000 0.000 0.268 23 K C -1.151 175.447 176.600 -0.003 0.000 1.075 23 K CA -0.519 55.768 56.287 0.000 0.000 0.936 23 K CB 0.625 33.123 32.500 -0.003 0.000 1.228 23 K HN 0.663 nan 8.250 nan 0.000 0.454 24 I N 3.836 124.433 120.570 0.045 0.000 2.371 24 I HA 0.141 4.311 4.170 -0.000 0.000 0.290 24 I C 0.102 176.303 176.117 0.140 0.000 1.028 24 I CA -0.334 61.017 61.300 0.086 0.000 1.345 24 I CB 1.152 39.236 38.000 0.139 0.000 1.407 24 I HN 0.491 nan 8.210 nan 0.000 0.501 25 E N 4.569 124.882 120.200 0.187 0.000 2.191 25 E HA 0.467 4.817 4.350 -0.000 0.000 0.274 25 E C -1.109 175.685 176.600 0.324 0.000 0.948 25 E CA -0.768 55.832 56.400 0.332 0.000 0.802 25 E CB 2.077 32.092 29.700 0.526 0.000 1.137 25 E HN 0.488 nan 8.360 nan 0.000 0.397 26 H N 2.319 121.491 119.070 0.170 0.000 2.865 26 H HA 0.565 5.121 4.556 -0.000 0.000 0.362 26 H C -1.970 173.406 175.328 0.080 0.000 1.114 26 H CA -0.896 55.020 56.048 -0.221 0.000 1.208 26 H CB 0.774 30.267 29.762 -0.449 0.000 1.727 26 H HN 0.615 nan 8.280 nan 0.000 0.534 27 W N 2.021 122.842 121.300 -0.797 0.000 3.275 27 W HA 0.521 5.181 4.660 -0.000 0.000 0.306 27 W C -1.681 174.542 176.519 -0.493 0.000 1.259 27 W CA -1.090 55.892 57.345 -0.605 0.000 1.194 27 W CB 0.343 29.640 29.460 -0.272 0.000 1.375 27 W HN 0.597 nan 8.180 nan 0.000 0.564 28 T N 2.921 117.386 114.554 -0.148 0.000 2.723 28 T HA 0.550 4.900 4.350 -0.000 0.000 0.297 28 T C 0.617 175.385 174.700 0.114 0.000 0.925 28 T CA 0.000 62.060 62.100 -0.066 0.000 1.030 28 T CB 0.469 69.314 68.868 -0.038 0.000 0.905 28 T HN 0.755 nan 8.240 nan 0.000 0.502 29 A N 5.714 128.603 122.820 0.116 0.000 2.448 29 A HA 0.390 4.710 4.320 -0.000 0.000 0.239 29 A C -0.713 176.922 177.584 0.084 0.000 1.080 29 A CA -1.278 50.865 52.037 0.177 0.000 0.779 29 A CB -0.281 18.803 19.000 0.141 0.000 1.026 29 A HN 0.503 nan 8.150 nan 0.000 0.499 30 P HA -0.275 nan 4.420 nan 0.000 0.219 30 P C 1.737 179.056 177.300 0.031 0.000 1.158 30 P CA 2.543 65.666 63.100 0.038 0.000 0.895 30 P CB -0.151 31.567 31.700 0.031 0.000 0.792 31 S N -1.991 113.731 115.700 0.036 0.000 2.469 31 S HA 0.022 4.492 4.470 -0.000 0.000 0.238 31 S C 1.700 176.314 174.600 0.023 0.000 0.998 31 S CA 1.258 59.476 58.200 0.030 0.000 0.957 31 S CB -1.324 61.897 63.200 0.036 0.000 0.764 31 S HN 0.381 nan 8.310 nan 0.000 0.514 32 G N 0.145 108.957 108.800 0.019 0.000 2.179 32 G HA2 0.001 3.961 3.960 -0.000 0.000 0.220 32 G HA3 0.001 3.961 3.960 -0.000 0.000 0.220 32 G C 0.161 175.062 174.900 0.003 0.000 0.990 32 G CA -0.067 45.039 45.100 0.010 0.000 0.646 32 G HN 1.290 nan 8.290 nan 0.000 0.517 33 A N -0.275 122.544 122.820 -0.001 0.000 2.340 33 A HA 0.735 5.055 4.320 -0.000 0.000 0.268 33 A C 0.405 177.959 177.584 -0.049 0.000 1.100 33 A CA 0.134 52.159 52.037 -0.020 0.000 0.803 33 A CB 0.651 19.638 19.000 -0.022 0.000 1.043 33 A HN 0.400 nan 8.150 nan 0.000 0.488 34 Q N 0.295 120.077 119.800 -0.030 0.000 2.288 34 Q HA 0.527 4.867 4.340 -0.000 0.000 0.254 34 Q C -0.878 175.078 176.000 -0.074 0.000 0.932 34 Q CA 0.292 56.093 55.803 -0.004 0.000 0.902 34 Q CB 1.315 30.154 28.738 0.169 0.000 1.203 34 Q HN 0.469 nan 8.270 nan 0.000 0.415 35 V N 4.401 124.122 119.914 -0.322 0.000 2.577 35 V HA 0.451 4.571 4.120 -0.000 0.000 0.303 35 V C -1.373 174.344 176.094 -0.629 0.000 1.042 35 V CA -0.812 61.171 62.300 -0.528 0.000 0.872 35 V CB 1.271 32.476 31.823 -1.030 0.000 0.998 35 V HN 0.643 nan 8.190 nan 0.000 0.423 36 Y N 4.179 124.309 120.300 -0.283 0.000 2.361 36 Y HA 0.688 5.238 4.550 -0.000 0.000 0.337 36 Y C -0.724 175.151 175.900 -0.043 0.000 0.965 36 Y CA -0.792 57.237 58.100 -0.118 0.000 1.091 36 Y CB 2.063 40.495 38.460 -0.047 0.000 1.182 36 Y HN 0.695 nan 8.280 nan 0.000 0.450 37 Y N 2.622 122.926 120.300 0.006 0.000 2.421 37 Y HA 0.774 5.324 4.550 -0.000 0.000 0.339 37 Y C -2.094 173.885 175.900 0.133 0.000 0.996 37 Y CA -1.346 56.799 58.100 0.075 0.000 1.046 37 Y CB 1.447 39.997 38.460 0.150 0.000 1.226 37 Y HN 0.343 nan 8.280 nan 0.000 0.445 38 V N 5.993 125.640 119.914 -0.445 0.000 2.443 38 V HA 0.302 4.422 4.120 -0.000 0.000 0.293 38 V C -0.326 175.382 176.094 -0.642 0.000 1.021 38 V CA -1.018 60.970 62.300 -0.519 0.000 0.848 38 V CB 1.483 33.199 31.823 -0.179 0.000 0.998 38 V HN 0.837 nan 8.190 nan 0.000 0.424 39 E N 3.126 122.886 120.200 -0.733 0.000 2.344 39 E HA 0.137 4.487 4.350 -0.000 0.000 0.270 39 E C 0.262 176.804 176.600 -0.095 0.000 1.021 39 E CA 0.116 56.376 56.400 -0.234 0.000 0.887 39 E CB 0.998 30.663 29.700 -0.059 0.000 0.997 39 E HN 0.754 nan 8.360 nan 0.000 0.429 40 N N 2.628 121.321 118.700 -0.012 0.000 2.905 40 N HA 0.035 4.775 4.740 -0.000 0.000 0.237 40 N C -0.224 175.294 175.510 0.014 0.000 1.017 40 N CA 0.245 53.291 53.050 -0.005 0.000 1.127 40 N CB 0.505 38.991 38.487 -0.003 0.000 1.608 40 N HN 0.441 nan 8.380 nan 0.000 0.522 41 R N -1.482 119.036 120.500 0.030 0.000 3.728 41 R HA -0.122 4.218 4.340 -0.000 0.000 0.478 41 R C 1.015 177.328 176.300 0.022 0.000 0.932 41 R CA 1.406 57.526 56.100 0.033 0.000 1.317 41 R CB -3.175 27.145 30.300 0.034 0.000 1.987 41 R HN 0.465 nan 8.270 nan 0.000 0.509 42 T N 1.196 115.760 114.554 0.016 0.000 2.732 42 T HA 0.113 4.463 4.350 -0.000 0.000 0.261 42 T C 1.171 175.879 174.700 0.013 0.000 1.040 42 T CA 1.297 63.404 62.100 0.012 0.000 1.145 42 T CB 0.031 68.903 68.868 0.006 0.000 0.866 42 T HN 0.236 nan 8.240 nan 0.000 0.427 43 L N 1.828 123.060 121.223 0.015 0.000 2.346 43 L HA 0.420 4.760 4.340 -0.000 0.000 0.276 43 L C -2.474 174.409 176.870 0.021 0.000 1.006 43 L CA -2.610 52.240 54.840 0.016 0.000 0.817 43 L CB 1.354 43.421 42.059 0.012 0.000 1.272 43 L HN -0.187 nan 8.230 nan 0.000 0.421 44 P HA 0.040 nan 4.420 nan 0.000 0.235 44 P C -0.838 176.478 177.300 0.027 0.000 1.720 44 P CA 0.308 63.423 63.100 0.025 0.000 1.003 44 P CB -0.319 31.394 31.700 0.021 0.000 1.968 45 M N 0.072 119.690 119.600 0.030 0.000 2.667 45 M HA 0.708 5.188 4.480 -0.000 0.000 0.286 45 M C -1.779 174.546 176.300 0.043 0.000 1.270 45 M CA -1.583 53.736 55.300 0.032 0.000 0.826 45 M CB 2.443 35.059 32.600 0.025 0.000 1.743 45 M HN -0.159 nan 8.290 nan 0.000 0.460 46 L N 1.046 122.296 121.223 0.045 0.000 2.438 46 L HA 0.612 4.951 4.340 -0.000 0.000 0.270 46 L C -1.930 174.970 176.870 0.050 0.000 0.972 46 L CA 0.079 54.953 54.840 0.057 0.000 0.831 46 L CB 2.167 44.264 42.059 0.063 0.000 1.273 46 L HN 0.720 nan 8.230 nan 0.000 0.405 47 D N 4.115 124.547 120.400 0.053 0.000 2.256 47 D HA 0.541 5.181 4.640 -0.000 0.000 0.240 47 D C -1.041 175.292 176.300 0.056 0.000 1.062 47 D CA -0.028 54.000 54.000 0.045 0.000 0.832 47 D CB 2.550 43.368 40.800 0.031 0.000 1.135 47 D HN 0.301 nan 8.370 nan 0.000 0.484 48 V N 2.582 122.529 119.914 0.054 0.000 2.540 48 V HA 0.359 4.479 4.120 -0.000 0.000 0.302 48 V C -0.178 175.947 176.094 0.052 0.000 1.035 48 V CA -0.790 61.545 62.300 0.058 0.000 0.873 48 V CB 2.050 33.911 31.823 0.063 0.000 0.992 48 V HN 0.429 nan 8.190 nan 0.000 0.428 49 Q N 2.864 122.686 119.800 0.037 0.000 2.353 49 Q HA 0.755 5.095 4.340 -0.000 0.000 0.268 49 Q C -1.898 174.106 176.000 0.006 0.000 1.045 49 Q CA -0.521 55.299 55.803 0.028 0.000 0.811 49 Q CB 2.427 31.164 28.738 -0.002 0.000 1.305 49 Q HN 0.609 nan 8.270 nan 0.000 0.447 50 V N 4.179 124.107 119.914 0.024 0.000 2.407 50 V HA 0.358 4.477 4.120 -0.000 0.000 0.291 50 V C -0.816 175.191 176.094 -0.144 0.000 1.018 50 V CA -0.808 61.438 62.300 -0.091 0.000 0.842 50 V CB 1.664 33.450 31.823 -0.062 0.000 0.996 50 V HN 0.813 nan 8.190 nan 0.000 0.426 51 D N 4.087 124.322 120.400 -0.275 0.000 2.175 51 D HA 0.599 5.239 4.640 -0.000 0.000 0.248 51 D C -0.862 175.167 176.300 -0.451 0.000 1.047 51 D CA 0.038 53.879 54.000 -0.266 0.000 0.883 51 D CB 2.311 42.968 40.800 -0.239 0.000 1.180 51 D HN 0.262 nan 8.370 nan 0.000 0.438 52 F N 0.045 119.966 119.950 -0.047 0.000 2.577 52 F HA 0.123 4.650 4.527 -0.000 0.000 0.318 52 F C 0.634 176.433 175.800 -0.002 0.000 1.065 52 F CA -1.081 56.877 58.000 -0.070 0.000 0.929 52 F CB 1.396 40.183 39.000 -0.355 0.000 1.237 52 F HN 0.058 nan 8.300 nan 0.000 0.468 53 D N 2.054 122.616 120.400 0.269 0.000 2.608 53 D HA 0.476 5.116 4.640 -0.000 0.000 0.224 53 D C -0.156 176.208 176.300 0.106 0.000 1.123 53 D CA 0.396 54.538 54.000 0.237 0.000 1.030 53 D CB -0.004 40.881 40.800 0.142 0.000 1.093 53 D HN 0.614 nan 8.370 nan 0.000 0.497 54 A N 2.297 125.135 122.820 0.031 0.000 2.758 54 A HA 0.547 4.866 4.320 -0.000 0.000 0.223 54 A C 0.778 178.438 177.584 0.127 0.000 0.877 54 A CA -0.230 51.770 52.037 -0.062 0.000 1.152 54 A CB 0.133 18.936 19.000 -0.329 0.000 1.239 54 A HN 0.424 nan 8.150 nan 0.000 0.470 55 G N -0.162 108.685 108.800 0.077 0.000 2.588 55 G HA2 0.383 4.343 3.960 -0.000 0.000 0.278 55 G HA3 0.383 4.343 3.960 -0.000 0.000 0.278 55 G C 1.290 176.202 174.900 0.020 0.000 1.307 55 G CA 0.497 45.622 45.100 0.043 0.000 1.016 55 G HN 0.916 nan 8.290 nan 0.000 0.503 56 S N -1.040 114.626 115.700 -0.057 0.000 2.419 56 S HA -0.054 4.416 4.470 -0.000 0.000 0.233 56 S C 2.299 176.753 174.600 -0.243 0.000 1.016 56 S CA 1.406 59.514 58.200 -0.154 0.000 0.974 56 S CB -0.363 62.751 63.200 -0.142 0.000 0.786 56 S HN 1.038 nan 8.310 nan 0.000 0.492 57 A N 1.369 124.122 122.820 -0.111 0.000 2.248 57 A HA 0.095 4.415 4.320 -0.000 0.000 0.210 57 A C 2.073 179.594 177.584 -0.105 0.000 1.174 57 A CA 0.542 52.509 52.037 -0.116 0.000 0.750 57 A CB -0.262 18.796 19.000 0.097 0.000 0.780 57 A HN 0.426 nan 8.150 nan 0.000 0.478 58 R N 0.037 120.519 120.500 -0.029 0.000 2.365 58 R HA 0.152 4.492 4.340 -0.000 0.000 0.223 58 R C -0.327 176.083 176.300 0.184 0.000 0.899 58 R CA -0.067 56.083 56.100 0.082 0.000 1.059 58 R CB -0.097 30.237 30.300 0.056 0.000 1.086 58 R HN 0.616 nan 8.270 nan 0.000 0.522 59 E N 2.656 122.869 120.200 0.022 0.000 2.452 59 E HA 0.025 4.375 4.350 -0.000 0.000 0.261 59 E C -2.270 174.421 176.600 0.152 0.000 0.987 59 E CA -1.390 55.015 56.400 0.008 0.000 0.926 59 E CB 0.245 29.905 29.700 -0.066 0.000 0.934 59 E HN -0.091 nan 8.360 nan 0.000 0.452 60 P HA -0.099 nan 4.420 nan 0.000 0.266 60 P C 0.025 177.423 177.300 0.162 0.000 1.195 60 P CA 0.213 63.400 63.100 0.144 0.000 0.768 60 P CB 0.770 32.535 31.700 0.108 0.000 0.838 61 A N 3.581 126.474 122.820 0.122 0.000 2.032 61 A HA -0.211 4.109 4.320 -0.000 0.000 0.221 61 A C 1.502 179.040 177.584 -0.077 0.000 1.165 61 A CA 2.120 54.161 52.037 0.008 0.000 0.645 61 A CB -0.941 18.059 19.000 -0.001 0.000 0.807 61 A HN 0.674 nan 8.150 nan 0.000 0.453 62 D N -0.820 119.570 120.400 -0.017 0.000 2.349 62 D HA -0.039 4.601 4.640 -0.000 0.000 0.214 62 D C 0.519 176.806 176.300 -0.023 0.000 1.063 62 D CA 0.361 54.343 54.000 -0.029 0.000 0.847 62 D CB -0.329 40.465 40.800 -0.011 0.000 0.933 62 D HN 0.703 nan 8.370 nan 0.000 0.513 63 Q N 0.582 120.379 119.800 -0.006 0.000 3.064 63 Q HA 0.394 4.734 4.340 -0.000 0.000 0.258 63 Q C -1.134 174.859 176.000 -0.011 0.000 0.972 63 Q CA -0.678 55.115 55.803 -0.017 0.000 0.761 63 Q CB 1.094 29.822 28.738 -0.016 0.000 1.281 63 Q HN -0.159 nan 8.270 nan 0.000 0.455 64 V N 1.708 121.611 119.914 -0.020 0.000 2.637 64 V HA 0.364 4.484 4.120 -0.000 0.000 0.296 64 V C 1.392 177.481 176.094 -0.008 0.000 1.046 64 V CA 1.488 63.808 62.300 0.032 0.000 1.066 64 V CB 0.864 32.657 31.823 -0.051 0.000 0.968 64 V HN 1.040 nan 8.190 nan 0.000 0.483 65 G N 3.637 112.432 108.800 -0.010 0.000 2.195 65 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.246 65 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.246 65 G C 0.597 175.418 174.900 -0.132 0.000 0.984 65 G CA 0.273 45.336 45.100 -0.061 0.000 0.633 65 G HN 0.635 nan 8.290 nan 0.000 0.525 66 V N 0.846 120.636 119.914 -0.206 0.000 2.548 66 V HA 0.088 4.207 4.120 -0.000 0.000 0.249 66 V C 3.135 178.915 176.094 -0.523 0.000 1.055 66 V CA 2.814 64.922 62.300 -0.320 0.000 1.065 66 V CB -0.710 30.916 31.823 -0.328 0.000 0.681 66 V HN 0.877 nan 8.190 nan 0.000 0.462 67 A N -0.677 121.744 122.820 -0.664 0.000 1.898 67 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 67 A C 2.550 180.050 177.584 -0.141 0.000 1.181 67 A CA 2.119 53.803 52.037 -0.589 0.000 0.620 67 A CB -0.727 18.021 19.000 -0.420 0.000 0.819 67 A HN 0.448 nan 8.150 nan 0.000 0.442 68 S N -1.322 114.306 115.700 -0.120 0.000 2.355 68 S HA -0.138 4.332 4.470 -0.000 0.000 0.222 68 S C 2.128 176.718 174.600 -0.016 0.000 1.031 68 S CA 1.630 59.803 58.200 -0.045 0.000 0.993 68 S CB -0.360 62.808 63.200 -0.053 0.000 0.859 68 S HN 0.396 nan 8.310 nan 0.000 0.453 69 M N 1.245 120.817 119.600 -0.046 0.000 2.108 69 M HA -0.077 4.403 4.480 -0.000 0.000 0.261 69 M C 2.210 178.540 176.300 0.049 0.000 1.066 69 M CA 1.668 56.958 55.300 -0.016 0.000 1.107 69 M CB -2.021 30.545 32.600 -0.058 0.000 1.356 69 M HN 0.340 nan 8.290 nan 0.000 0.406 70 T N 0.871 115.448 114.554 0.038 0.000 2.674 70 T HA -0.107 4.243 4.350 -0.000 0.000 0.265 70 T C 1.781 176.660 174.700 0.299 0.000 1.039 70 T CA 1.822 64.019 62.100 0.162 0.000 1.150 70 T CB -0.431 68.565 68.868 0.214 0.000 0.864 70 T HN 0.506 nan 8.240 nan 0.000 0.427 71 A N 1.308 124.296 122.820 0.281 0.000 1.978 71 A HA -0.101 4.219 4.320 -0.000 0.000 0.220 71 A C 2.571 180.265 177.584 0.183 0.000 1.170 71 A CA 1.929 54.160 52.037 0.323 0.000 0.636 71 A CB -0.749 18.395 19.000 0.240 0.000 0.810 71 A HN 0.462 nan 8.150 nan 0.000 0.448 72 S N -0.282 115.488 115.700 0.116 0.000 2.368 72 S HA 0.014 4.484 4.470 -0.000 0.000 0.224 72 S C 1.355 176.015 174.600 0.100 0.000 1.029 72 S CA 1.193 59.434 58.200 0.068 0.000 0.988 72 S CB -0.253 62.971 63.200 0.040 0.000 0.838 72 S HN 0.522 nan 8.310 nan 0.000 0.462 73 L N 0.450 121.775 121.223 0.170 0.000 2.700 73 L HA 0.316 4.656 4.340 -0.000 0.000 0.234 73 L C 1.615 178.453 176.870 -0.053 0.000 1.156 73 L CA -0.004 54.917 54.840 0.136 0.000 0.946 73 L CB -0.368 41.864 42.059 0.288 0.000 1.216 73 L HN 0.294 nan 8.230 nan 0.000 0.493 74 M N 0.462 120.056 119.600 -0.011 0.000 2.349 74 M HA -0.110 4.370 4.480 -0.000 0.000 0.266 74 M C 1.212 177.405 176.300 -0.178 0.000 1.076 74 M CA 1.341 56.496 55.300 -0.242 0.000 1.126 74 M CB -0.095 32.423 32.600 -0.137 0.000 1.392 74 M HN 0.289 nan 8.290 nan 0.000 0.440 75 D N -0.333 120.059 120.400 -0.012 0.000 2.336 75 D HA 0.070 4.710 4.640 -0.000 0.000 0.228 75 D C 1.012 177.281 176.300 -0.053 0.000 1.120 75 D CA 0.275 54.267 54.000 -0.013 0.000 0.839 75 D CB -0.154 40.686 40.800 0.067 0.000 0.932 75 D HN 0.193 nan 8.370 nan 0.000 0.509 76 A N -0.324 122.435 122.820 -0.102 0.000 2.267 76 A HA 0.613 4.933 4.320 -0.000 0.000 0.213 76 A C 1.077 178.596 177.584 -0.108 0.000 1.192 76 A CA 0.362 52.349 52.037 -0.083 0.000 0.851 76 A CB 0.281 19.247 19.000 -0.058 0.000 0.881 76 A HN 0.420 nan 8.150 nan 0.000 0.494 77 G N -2.179 106.522 108.800 -0.165 0.000 2.473 77 G HA2 0.475 4.435 3.960 -0.000 0.000 0.298 77 G HA3 0.475 4.435 3.960 -0.000 0.000 0.298 77 G C -1.221 173.569 174.900 -0.185 0.000 1.575 77 G CA 0.007 45.019 45.100 -0.147 0.000 0.846 77 G HN 0.154 nan 8.290 nan 0.000 0.585 78 T N -0.225 114.257 114.554 -0.120 0.000 2.956 78 T HA 0.812 5.162 4.350 -0.000 0.000 0.312 78 T C 0.547 175.215 174.700 -0.053 0.000 1.151 78 T CA 1.264 63.306 62.100 -0.096 0.000 1.024 78 T CB 1.360 70.184 68.868 -0.073 0.000 1.140 78 T HN 2.557 nan 8.240 nan 0.000 0.473 79 G N 2.444 111.232 108.800 -0.020 0.000 2.642 79 G HA2 0.063 4.023 3.960 -0.000 0.000 0.231 79 G HA3 0.063 4.023 3.960 -0.000 0.000 0.231 79 G C -0.523 174.337 174.900 -0.067 0.000 1.338 79 G CA -0.116 44.959 45.100 -0.042 0.000 0.883 79 G HN 1.187 nan 8.290 nan 0.000 0.570 80 S N -1.229 114.422 115.700 -0.083 0.000 2.567 80 S HA 0.813 5.283 4.470 -0.000 0.000 0.270 80 S C 0.819 175.382 174.600 -0.061 0.000 1.152 80 S CA 1.000 59.161 58.200 -0.066 0.000 0.835 80 S CB 1.083 64.240 63.200 -0.071 0.000 1.115 80 S HN 2.895 nan 8.310 nan 0.000 0.459 81 G N 2.859 111.633 108.800 -0.044 0.000 2.531 81 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.274 81 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.274 81 G C 0.646 175.527 174.900 -0.032 0.000 1.159 81 G CA 0.924 46.002 45.100 -0.037 0.000 0.969 81 G HN 0.995 nan 8.290 nan 0.000 0.554 82 K N -0.001 120.381 120.400 -0.030 0.000 2.217 82 K HA 0.240 4.560 4.320 -0.000 0.000 0.202 82 K C 2.544 179.129 176.600 -0.024 0.000 1.051 82 K CA 2.027 58.300 56.287 -0.023 0.000 0.952 82 K CB -0.251 32.237 32.500 -0.020 0.000 0.736 82 K HN 0.602 nan 8.250 nan 0.000 0.453 83 S N 1.016 116.697 115.700 -0.033 0.000 2.402 83 S HA 0.018 4.488 4.470 -0.000 0.000 0.229 83 S C 1.030 175.613 174.600 -0.028 0.000 1.021 83 S CA 0.429 58.609 58.200 -0.032 0.000 0.974 83 S CB -0.466 62.701 63.200 -0.055 0.000 0.800 83 S HN 0.489 nan 8.310 nan 0.000 0.484 84 A N 1.104 123.904 122.820 -0.034 0.000 2.520 84 A HA 0.509 4.829 4.320 -0.000 0.000 0.235 84 A C -0.340 177.228 177.584 -0.027 0.000 1.065 84 A CA 0.241 52.258 52.037 -0.034 0.000 0.764 84 A CB 0.012 18.991 19.000 -0.035 0.000 1.002 84 A HN 0.606 nan 8.150 nan 0.000 0.502 85 L N 1.685 122.889 121.223 -0.032 0.000 2.482 85 L HA 0.321 4.661 4.340 -0.000 0.000 0.263 85 L C -0.883 175.965 176.870 -0.037 0.000 0.957 85 L CA -1.016 53.806 54.840 -0.029 0.000 0.836 85 L CB 2.345 44.389 42.059 -0.025 0.000 1.324 85 L HN 0.983 nan 8.230 nan 0.000 0.406 86 D N 0.766 121.149 120.400 -0.030 0.000 2.451 86 D HA 0.087 4.727 4.640 -0.000 0.000 0.259 86 D C 0.817 177.097 176.300 -0.032 0.000 1.201 86 D CA -0.400 53.581 54.000 -0.032 0.000 1.028 86 D CB 0.853 41.640 40.800 -0.023 0.000 1.095 86 D HN 0.402 nan 8.370 nan 0.000 0.539 87 E N -0.196 119.985 120.200 -0.031 0.000 2.055 87 E HA -0.255 4.095 4.350 -0.000 0.000 0.209 87 E C 1.542 178.132 176.600 -0.018 0.000 1.036 87 E CA 1.656 58.040 56.400 -0.026 0.000 0.849 87 E CB -0.315 29.373 29.700 -0.019 0.000 0.767 87 E HN 0.466 nan 8.360 nan 0.000 0.461 88 N N 0.384 119.076 118.700 -0.013 0.000 2.188 88 N HA -0.113 4.627 4.740 -0.000 0.000 0.184 88 N C 1.665 177.170 175.510 -0.009 0.000 1.018 88 N CA 1.238 54.283 53.050 -0.009 0.000 0.858 88 N CB -0.618 37.864 38.487 -0.007 0.000 0.989 88 N HN 0.205 nan 8.380 nan 0.000 0.426 89 A N 1.709 124.522 122.820 -0.011 0.000 1.859 89 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 89 A C 2.269 179.848 177.584 -0.008 0.000 1.198 89 A CA 2.036 54.067 52.037 -0.010 0.000 0.629 89 A CB -1.008 17.985 19.000 -0.013 0.000 0.830 89 A HN 0.395 nan 8.150 nan 0.000 0.446 90 I N -1.337 119.227 120.570 -0.011 0.000 2.163 90 I HA -0.130 4.040 4.170 -0.000 0.000 0.243 90 I C 2.394 178.511 176.117 0.001 0.000 1.085 90 I CA 2.075 63.371 61.300 -0.006 0.000 1.347 90 I CB -0.993 37.000 38.000 -0.012 0.000 1.044 90 I HN 0.235 nan 8.210 nan 0.000 0.408 91 A N 0.818 123.638 122.820 -0.000 0.000 1.917 91 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 91 A C 1.990 179.576 177.584 0.003 0.000 1.182 91 A CA 2.393 54.431 52.037 0.003 0.000 0.633 91 A CB -1.133 17.867 19.000 0.000 0.000 0.819 91 A HN 0.625 nan 8.150 nan 0.000 0.448 92 D N -0.552 119.849 120.400 0.001 0.000 2.084 92 D HA -0.120 4.520 4.640 -0.000 0.000 0.196 92 D C 2.256 178.558 176.300 0.003 0.000 0.985 92 D CA 1.396 55.396 54.000 0.001 0.000 0.826 92 D CB -0.435 40.364 40.800 -0.001 0.000 0.978 92 D HN 0.489 nan 8.370 nan 0.000 0.456 93 R N 0.428 120.930 120.500 0.003 0.000 2.091 93 R HA -0.050 4.290 4.340 -0.000 0.000 0.238 93 R C 2.655 178.960 176.300 0.008 0.000 1.136 93 R CA 0.620 56.723 56.100 0.005 0.000 0.959 93 R CB -0.509 29.793 30.300 0.004 0.000 0.856 93 R HN 0.213 nan 8.270 nan 0.000 0.437 94 L N 0.450 121.680 121.223 0.010 0.000 2.012 94 L HA -0.220 4.119 4.340 -0.000 0.000 0.210 94 L C 2.749 179.627 176.870 0.012 0.000 1.073 94 L CA 1.501 56.349 54.840 0.014 0.000 0.748 94 L CB -0.659 41.411 42.059 0.018 0.000 0.891 94 L HN 0.284 nan 8.230 nan 0.000 0.431 95 A N -0.768 122.058 122.820 0.009 0.000 1.930 95 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 95 A C 1.929 179.518 177.584 0.007 0.000 1.175 95 A CA 1.668 53.709 52.037 0.008 0.000 0.627 95 A CB -0.496 18.507 19.000 0.005 0.000 0.815 95 A HN 0.374 nan 8.150 nan 0.000 0.443 96 D N -0.196 120.208 120.400 0.007 0.000 2.351 96 D HA -0.092 4.547 4.640 -0.000 0.000 0.216 96 D C 1.414 177.719 176.300 0.008 0.000 0.968 96 D CA 1.562 55.566 54.000 0.006 0.000 0.899 96 D CB -0.037 40.766 40.800 0.005 0.000 0.907 96 D HN 0.776 nan 8.370 nan 0.000 0.514 97 I N -5.541 115.035 120.570 0.010 0.000 4.240 97 I HA 0.370 4.540 4.170 -0.000 0.000 0.331 97 I C 1.108 177.233 176.117 0.012 0.000 1.381 97 I CA -0.031 61.276 61.300 0.011 0.000 1.136 97 I CB 0.791 38.799 38.000 0.013 0.000 1.137 97 I HN -0.128 nan 8.210 nan 0.000 0.411 98 G N 1.993 110.800 108.800 0.011 0.000 2.160 98 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.251 98 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.251 98 G C 0.405 175.313 174.900 0.014 0.000 1.008 98 G CA 0.107 45.214 45.100 0.011 0.000 0.724 98 G HN 0.966 nan 8.290 nan 0.000 0.514 99 A N -0.005 122.825 122.820 0.017 0.000 2.407 99 A HA 0.698 5.018 4.320 -0.000 0.000 0.248 99 A C 0.844 178.440 177.584 0.021 0.000 1.082 99 A CA -0.013 52.037 52.037 0.021 0.000 0.785 99 A CB 0.330 19.345 19.000 0.025 0.000 1.020 99 A HN 0.537 nan 8.150 nan 0.000 0.489 100 R N 2.278 122.792 120.500 0.023 0.000 2.363 100 R HA 0.341 4.681 4.340 -0.000 0.000 0.297 100 R C -1.272 175.046 176.300 0.029 0.000 1.208 100 R CA -0.317 55.795 56.100 0.020 0.000 1.121 100 R CB 0.830 31.138 30.300 0.012 0.000 1.124 100 R HN 0.689 nan 8.270 nan 0.000 0.561 101 L N 1.220 122.466 121.223 0.039 0.000 2.309 101 L HA 0.758 5.098 4.340 -0.000 0.000 0.282 101 L C -0.323 176.575 176.870 0.047 0.000 1.036 101 L CA -0.184 54.694 54.840 0.064 0.000 0.806 101 L CB 1.528 43.642 42.059 0.092 0.000 1.220 101 L HN 0.606 nan 8.230 nan 0.000 0.429 102 G N 2.295 111.112 108.800 0.030 0.000 2.659 102 G HA2 0.687 4.647 3.960 -0.000 0.000 0.296 102 G HA3 0.687 4.647 3.960 -0.000 0.000 0.296 102 G C -1.333 173.449 174.900 -0.196 0.000 1.369 102 G CA -0.413 44.657 45.100 -0.051 0.000 0.937 102 G HN 0.924 nan 8.290 nan 0.000 0.485 103 G N -1.338 107.219 108.800 -0.406 0.000 2.682 103 G HA2 0.902 4.862 3.960 -0.000 0.000 0.300 103 G HA3 0.902 4.862 3.960 -0.000 0.000 0.300 103 G C -0.459 174.075 174.900 -0.611 0.000 1.391 103 G CA 0.008 44.461 45.100 -1.078 0.000 0.990 103 G HN 1.480 nan 8.290 nan 0.000 0.501 104 G N -1.202 107.282 108.800 -0.527 0.000 2.576 104 G HA2 0.795 4.755 3.960 -0.000 0.000 0.290 104 G HA3 0.795 4.755 3.960 -0.000 0.000 0.290 104 G C -1.340 173.484 174.900 -0.127 0.000 1.442 104 G CA 0.246 45.209 45.100 -0.229 0.000 0.792 104 G HN 1.609 nan 8.290 nan 0.000 0.491 105 A N 0.008 122.794 122.820 -0.057 0.000 2.355 105 A HA 0.878 5.198 4.320 -0.000 0.000 0.317 105 A C -0.119 177.431 177.584 -0.055 0.000 1.094 105 A CA -0.494 51.532 52.037 -0.017 0.000 0.764 105 A CB 1.622 20.647 19.000 0.043 0.000 1.230 105 A HN 0.631 nan 8.150 nan 0.000 0.448 106 E N 0.525 120.682 120.200 -0.071 0.000 3.029 106 E HA 0.582 4.931 4.350 -0.000 0.000 0.249 106 E C 1.486 178.033 176.600 -0.088 0.000 1.089 106 E CA -0.176 56.169 56.400 -0.091 0.000 1.089 106 E CB 0.924 30.558 29.700 -0.110 0.000 1.428 106 E HN 0.678 nan 8.360 nan 0.000 0.555 107 A N 1.052 123.801 122.820 -0.119 0.000 1.845 107 A HA -0.173 4.147 4.320 -0.000 0.000 0.215 107 A C 1.136 178.709 177.584 -0.019 0.000 1.195 107 A CA 2.365 54.320 52.037 -0.137 0.000 0.616 107 A CB -0.467 18.318 19.000 -0.359 0.000 0.832 107 A HN 0.637 nan 8.150 nan 0.000 0.443 108 D N -1.779 118.626 120.400 0.007 0.000 2.571 108 D HA 0.238 4.878 4.640 -0.000 0.000 0.239 108 D C 0.235 176.542 176.300 0.013 0.000 1.267 108 D CA -0.284 53.784 54.000 0.113 0.000 0.823 108 D CB -0.248 40.722 40.800 0.283 0.000 1.056 108 D HN 0.701 nan 8.370 nan 0.000 0.494 109 R N -1.722 118.689 120.500 -0.148 0.000 2.733 109 R HA 0.837 5.177 4.340 -0.000 0.000 0.272 109 R C -1.834 174.362 176.300 -0.173 0.000 1.029 109 R CA -1.271 54.625 56.100 -0.340 0.000 0.888 109 R CB 1.010 30.691 30.300 -1.032 0.000 1.251 109 R HN -0.062 nan 8.270 nan 0.000 0.464 110 A N 0.881 123.633 122.820 -0.113 0.000 2.343 110 A HA 0.683 5.003 4.320 -0.000 0.000 0.308 110 A C -1.131 176.506 177.584 0.089 0.000 1.092 110 A CA -0.784 51.284 52.037 0.050 0.000 0.751 110 A CB 2.012 21.145 19.000 0.221 0.000 1.203 110 A HN 0.572 nan 8.150 nan 0.000 0.452 111 S N 1.444 117.161 115.700 0.028 0.000 2.596 111 S HA 0.623 5.093 4.470 -0.000 0.000 0.318 111 S C -1.059 173.541 174.600 -0.000 0.000 1.097 111 S CA -0.176 58.039 58.200 0.025 0.000 1.080 111 S CB 0.310 63.457 63.200 -0.088 0.000 0.991 111 S HN 0.490 nan 8.310 nan 0.000 0.471 112 F N 2.683 122.704 119.950 0.119 0.000 2.408 112 F HA 0.496 5.023 4.527 -0.000 0.000 0.344 112 F C 0.984 176.816 175.800 0.055 0.000 1.112 112 F CA -0.293 57.774 58.000 0.112 0.000 1.096 112 F CB 1.448 40.560 39.000 0.186 0.000 1.129 112 F HN 0.514 nan 8.300 nan 0.000 0.486 113 S N 4.896 120.677 115.700 0.133 0.000 2.566 113 S HA 0.836 5.306 4.470 -0.000 0.000 0.298 113 S C -1.232 173.423 174.600 0.091 0.000 1.083 113 S CA -0.876 57.372 58.200 0.080 0.000 0.978 113 S CB 2.253 65.462 63.200 0.016 0.000 1.073 113 S HN 0.700 nan 8.310 nan 0.000 0.491 114 L N 1.433 122.700 121.223 0.073 0.000 2.482 114 L HA 0.643 4.983 4.340 -0.000 0.000 0.263 114 L C -1.231 175.668 176.870 0.047 0.000 0.957 114 L CA -0.570 54.310 54.840 0.066 0.000 0.836 114 L CB 2.142 44.248 42.059 0.078 0.000 1.324 114 L HN 0.995 nan 8.230 nan 0.000 0.406 115 R N 4.285 124.807 120.500 0.038 0.000 2.513 115 R HA 0.797 5.137 4.340 -0.000 0.000 0.301 115 R C -1.838 174.480 176.300 0.031 0.000 0.968 115 R CA -0.439 55.680 56.100 0.031 0.000 0.872 115 R CB 1.870 32.183 30.300 0.022 0.000 1.177 115 R HN 0.467 nan 8.270 nan 0.000 0.444 116 V N 1.621 121.554 119.914 0.032 0.000 3.159 116 V HA 0.499 4.619 4.120 -0.000 0.000 0.308 116 V C -0.022 176.089 176.094 0.029 0.000 1.190 116 V CA -1.360 60.958 62.300 0.030 0.000 1.037 116 V CB 1.716 33.558 31.823 0.033 0.000 1.060 116 V HN 0.639 nan 8.190 nan 0.000 0.437 117 L N 1.047 122.285 121.223 0.025 0.000 2.483 117 L HA 0.182 4.521 4.340 -0.000 0.000 0.275 117 L C 1.877 178.764 176.870 0.029 0.000 1.220 117 L CA 0.358 55.212 54.840 0.025 0.000 0.833 117 L CB 0.563 42.635 42.059 0.020 0.000 1.102 117 L HN 0.894 nan 8.230 nan 0.000 0.490 118 S N 0.249 115.967 115.700 0.030 0.000 2.356 118 S HA -0.105 4.365 4.470 -0.000 0.000 0.223 118 S C 0.764 175.381 174.600 0.028 0.000 1.032 118 S CA 0.900 59.120 58.200 0.033 0.000 1.005 118 S CB -0.119 63.102 63.200 0.034 0.000 0.867 118 S HN 0.841 nan 8.310 nan 0.000 0.449 119 S N 2.687 118.402 115.700 0.023 0.000 2.626 119 S HA 0.022 4.492 4.470 -0.000 0.000 0.303 119 S C -1.904 172.708 174.600 0.020 0.000 1.256 119 S CA -0.774 57.438 58.200 0.020 0.000 1.069 119 S CB 0.013 63.223 63.200 0.017 0.000 0.807 119 S HN 0.164 nan 8.310 nan 0.000 0.500 120 P HA -0.191 nan 4.420 nan 0.000 0.216 120 P C 1.640 178.950 177.300 0.016 0.000 1.154 120 P CA 1.883 64.993 63.100 0.017 0.000 0.865 120 P CB -0.121 31.587 31.700 0.014 0.000 0.789 121 A N 0.043 122.871 122.820 0.014 0.000 1.902 121 A HA -0.221 4.098 4.320 -0.000 0.000 0.217 121 A C 2.111 179.703 177.584 0.014 0.000 1.181 121 A CA 1.681 53.726 52.037 0.013 0.000 0.623 121 A CB -0.929 18.078 19.000 0.011 0.000 0.818 121 A HN 0.161 nan 8.150 nan 0.000 0.443 122 E N -0.070 120.140 120.200 0.016 0.000 2.028 122 E HA -0.189 4.161 4.350 -0.000 0.000 0.190 122 E C 2.163 178.776 176.600 0.021 0.000 0.984 122 E CA 1.248 57.658 56.400 0.017 0.000 0.800 122 E CB -0.688 29.022 29.700 0.017 0.000 0.758 122 E HN 0.744 nan 8.360 nan 0.000 0.448 123 R N 1.397 121.910 120.500 0.023 0.000 2.097 123 R HA -0.167 4.173 4.340 -0.000 0.000 0.236 123 R C 2.050 178.366 176.300 0.027 0.000 1.135 123 R CA 1.961 58.078 56.100 0.028 0.000 0.934 123 R CB -0.177 30.141 30.300 0.030 0.000 0.846 123 R HN 0.074 nan 8.270 nan 0.000 0.431 124 N N 0.140 118.854 118.700 0.023 0.000 2.039 124 N HA -0.146 4.594 4.740 -0.000 0.000 0.193 124 N C 1.876 177.399 175.510 0.021 0.000 1.044 124 N CA 1.631 54.694 53.050 0.022 0.000 0.847 124 N CB -0.655 37.843 38.487 0.018 0.000 1.030 124 N HN 0.215 nan 8.380 nan 0.000 0.422 125 S N 0.595 116.306 115.700 0.019 0.000 2.392 125 S HA -0.178 4.292 4.470 -0.000 0.000 0.232 125 S C 1.904 176.515 174.600 0.019 0.000 1.041 125 S CA 1.482 59.692 58.200 0.017 0.000 1.026 125 S CB -0.207 63.001 63.200 0.014 0.000 0.845 125 S HN 0.481 nan 8.310 nan 0.000 0.465 126 A N 0.587 123.421 122.820 0.023 0.000 1.897 126 A HA 0.105 4.425 4.320 -0.000 0.000 0.215 126 A C 2.098 179.700 177.584 0.031 0.000 1.181 126 A CA 1.127 53.181 52.037 0.028 0.000 0.620 126 A CB -0.629 18.389 19.000 0.031 0.000 0.821 126 A HN 0.524 nan 8.150 nan 0.000 0.443 127 L N -0.404 120.838 121.223 0.032 0.000 2.201 127 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 127 L C 2.685 179.573 176.870 0.029 0.000 1.105 127 L CA 1.549 56.410 54.840 0.034 0.000 0.775 127 L CB -0.639 41.441 42.059 0.035 0.000 0.913 127 L HN 0.340 nan 8.230 nan 0.000 0.440 128 T N 0.134 114.704 114.554 0.026 0.000 2.708 128 T HA -0.159 4.191 4.350 -0.000 0.000 0.266 128 T C 1.864 176.577 174.700 0.021 0.000 1.037 128 T CA 1.525 63.640 62.100 0.024 0.000 1.146 128 T CB -0.211 68.669 68.868 0.021 0.000 0.865 128 T HN 0.235 nan 8.240 nan 0.000 0.435 129 I N 0.634 121.215 120.570 0.018 0.000 2.315 129 I HA -0.071 4.099 4.170 -0.000 0.000 0.248 129 I C 2.427 178.546 176.117 0.004 0.000 1.117 129 I CA 0.817 62.123 61.300 0.011 0.000 1.404 129 I CB -0.410 37.597 38.000 0.013 0.000 1.071 129 I HN 0.183 nan 8.210 nan 0.000 0.419 130 L N 1.166 122.399 121.223 0.017 0.000 2.017 130 L HA -0.244 4.096 4.340 -0.000 0.000 0.208 130 L C 2.872 179.729 176.870 -0.021 0.000 1.073 130 L CA 1.647 56.495 54.840 0.014 0.000 0.745 130 L CB -0.460 41.627 42.059 0.047 0.000 0.894 130 L HN 0.289 nan 8.230 nan 0.000 0.432 131 R N -0.060 120.439 120.500 -0.002 0.000 2.096 131 R HA -0.242 4.097 4.340 -0.000 0.000 0.240 131 R C 1.784 178.051 176.300 -0.055 0.000 1.139 131 R CA 2.374 58.467 56.100 -0.011 0.000 0.952 131 R CB -0.284 30.027 30.300 0.018 0.000 0.854 131 R HN 0.415 nan 8.270 nan 0.000 0.436 132 D N 0.241 120.629 120.400 -0.020 0.000 2.117 132 D HA -0.111 4.529 4.640 -0.000 0.000 0.198 132 D C 1.962 178.199 176.300 -0.106 0.000 0.982 132 D CA 1.199 55.197 54.000 -0.003 0.000 0.828 132 D CB -0.134 40.690 40.800 0.039 0.000 0.967 132 D HN 0.344 nan 8.370 nan 0.000 0.464 133 I N 0.394 120.885 120.570 -0.133 0.000 2.315 133 I HA -0.200 3.970 4.170 -0.000 0.000 0.248 133 I C 2.235 178.137 176.117 -0.359 0.000 1.117 133 I CA 0.606 61.769 61.300 -0.227 0.000 1.404 133 I CB -0.007 37.894 38.000 -0.164 0.000 1.071 133 I HN -0.023 nan 8.210 nan 0.000 0.419 134 L N -0.035 121.010 121.223 -0.297 0.000 2.156 134 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 134 L C 2.438 179.207 176.870 -0.169 0.000 1.095 134 L CA 1.196 55.873 54.840 -0.272 0.000 0.770 134 L CB -0.408 41.606 42.059 -0.075 0.000 0.914 134 L HN 0.245 nan 8.230 nan 0.000 0.439 135 A N -2.218 120.448 122.820 -0.256 0.000 2.026 135 A HA 0.100 4.420 4.320 -0.000 0.000 0.201 135 A C 0.845 178.175 177.584 -0.424 0.000 1.318 135 A CA 0.061 51.861 52.037 -0.396 0.000 0.857 135 A CB 0.210 18.791 19.000 -0.698 0.000 0.939 135 A HN 0.362 nan 8.150 nan 0.000 0.476 136 H N 0.382 119.421 119.070 -0.051 0.000 2.471 136 H HA 0.276 4.832 4.556 -0.000 0.000 0.234 136 H C -2.931 172.271 175.328 -0.209 0.000 1.388 136 H CA -2.138 53.860 56.048 -0.083 0.000 1.198 136 H CB -0.196 29.533 29.762 -0.055 0.000 1.714 136 H HN 0.332 nan 8.280 nan 0.000 0.536 137 P HA 0.036 nan 4.420 nan 0.000 0.282 137 P C 0.616 177.626 177.300 -0.483 0.000 1.262 137 P CA -0.059 62.712 63.100 -0.548 0.000 0.773 137 P CB 1.184 32.279 31.700 -1.010 0.000 0.879 138 T N 0.260 114.606 114.554 -0.348 0.000 2.910 138 T HA 0.404 4.754 4.350 -0.000 0.000 0.293 138 T C -0.265 174.214 174.700 -0.369 0.000 1.015 138 T CA -0.340 61.630 62.100 -0.217 0.000 1.094 138 T CB -0.001 68.805 68.868 -0.104 0.000 0.968 138 T HN 0.126 nan 8.240 nan 0.000 0.521 139 F N 2.782 122.698 119.950 -0.057 0.000 2.334 139 F HA 0.365 4.891 4.527 -0.000 0.000 0.343 139 F C -2.210 173.572 175.800 -0.030 0.000 1.136 139 F CA -2.488 55.482 58.000 -0.050 0.000 1.237 139 F CB 0.650 39.621 39.000 -0.049 0.000 1.525 139 F HN 0.398 nan 8.300 nan 0.000 0.528 140 P HA -0.025 nan 4.420 nan 0.000 0.261 140 P C 0.652 177.993 177.300 0.068 0.000 1.183 140 P CA 0.333 63.464 63.100 0.051 0.000 0.761 140 P CB 1.054 32.762 31.700 0.013 0.000 0.785 141 A N 7.772 130.625 122.820 0.055 0.000 1.917 141 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 141 A C -0.305 177.297 177.584 0.031 0.000 1.182 141 A CA 1.699 53.762 52.037 0.043 0.000 0.633 141 A CB -2.271 16.747 19.000 0.030 0.000 0.819 141 A HN 0.473 nan 8.150 nan 0.000 0.448 142 P HA -0.044 nan 4.420 nan 0.000 0.223 142 P C 1.517 178.828 177.300 0.018 0.000 1.151 142 P CA 1.007 64.117 63.100 0.016 0.000 0.787 142 P CB -0.121 31.585 31.700 0.011 0.000 0.788 143 V N 0.283 120.212 119.914 0.026 0.000 2.323 143 V HA -0.181 3.939 4.120 -0.000 0.000 0.244 143 V C 2.613 178.730 176.094 0.037 0.000 1.041 143 V CA 1.275 63.592 62.300 0.028 0.000 1.025 143 V CB -1.244 30.596 31.823 0.028 0.000 0.656 143 V HN 0.022 nan 8.190 nan 0.000 0.451 144 L N 0.319 121.574 121.223 0.052 0.000 2.043 144 L HA -0.178 4.162 4.340 -0.000 0.000 0.212 144 L C 2.496 179.379 176.870 0.021 0.000 1.075 144 L CA 1.988 56.854 54.840 0.044 0.000 0.752 144 L CB -0.730 41.353 42.059 0.041 0.000 0.891 144 L HN 0.293 nan 8.230 nan 0.000 0.432 145 E N -0.051 120.159 120.200 0.017 0.000 2.031 145 E HA -0.288 4.062 4.350 -0.000 0.000 0.193 145 E C 2.251 178.855 176.600 0.007 0.000 0.994 145 E CA 1.514 57.919 56.400 0.008 0.000 0.800 145 E CB -0.530 29.175 29.700 0.007 0.000 0.752 145 E HN 0.576 nan 8.360 nan 0.000 0.447 146 R N 1.088 121.594 120.500 0.009 0.000 2.133 146 R HA -0.247 4.093 4.340 -0.000 0.000 0.245 146 R C 2.040 178.343 176.300 0.005 0.000 1.137 146 R CA 2.238 58.342 56.100 0.006 0.000 0.947 146 R CB -0.223 30.082 30.300 0.007 0.000 0.865 146 R HN -0.017 nan 8.270 nan 0.000 0.437 147 E N -0.279 119.926 120.200 0.010 0.000 2.285 147 E HA -0.072 4.277 4.350 -0.000 0.000 0.194 147 E C 1.939 178.541 176.600 0.002 0.000 0.997 147 E CA 0.673 57.078 56.400 0.008 0.000 0.845 147 E CB -0.012 29.698 29.700 0.018 0.000 0.782 147 E HN 0.354 nan 8.360 nan 0.000 0.491 148 R N -0.319 120.181 120.500 0.001 0.000 2.073 148 R HA -0.007 4.333 4.340 -0.000 0.000 0.229 148 R C 2.014 178.310 176.300 -0.007 0.000 1.120 148 R CA 1.234 57.331 56.100 -0.005 0.000 0.967 148 R CB -0.207 30.089 30.300 -0.006 0.000 0.862 148 R HN 0.174 nan 8.270 nan 0.000 0.436 149 A N 1.301 124.118 122.820 -0.004 0.000 1.930 149 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 149 A C 2.147 179.727 177.584 -0.006 0.000 1.175 149 A CA 0.997 53.031 52.037 -0.005 0.000 0.627 149 A CB -0.354 18.643 19.000 -0.004 0.000 0.815 149 A HN 0.314 nan 8.150 nan 0.000 0.443 150 R N -0.598 119.899 120.500 -0.006 0.000 2.075 150 R HA -0.044 4.296 4.340 -0.000 0.000 0.232 150 R C 2.519 178.813 176.300 -0.010 0.000 1.126 150 R CA 1.177 57.273 56.100 -0.007 0.000 0.963 150 R CB -0.510 29.786 30.300 -0.006 0.000 0.858 150 R HN 0.501 nan 8.270 nan 0.000 0.435 151 A N 1.693 124.507 122.820 -0.010 0.000 1.902 151 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 151 A C 2.159 179.735 177.584 -0.014 0.000 1.181 151 A CA 1.114 53.143 52.037 -0.013 0.000 0.623 151 A CB -0.407 18.584 19.000 -0.014 0.000 0.818 151 A HN 0.098 nan 8.150 nan 0.000 0.443 152 I N -0.117 120.445 120.570 -0.012 0.000 2.127 152 I HA -0.287 3.883 4.170 -0.000 0.000 0.241 152 I C 3.020 179.129 176.117 -0.012 0.000 1.075 152 I CA 1.604 62.897 61.300 -0.012 0.000 1.334 152 I CB -1.477 36.517 38.000 -0.011 0.000 1.040 152 I HN 0.387 nan 8.210 nan 0.000 0.405 153 A N 1.095 123.909 122.820 -0.011 0.000 1.883 153 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 153 A C 2.476 180.052 177.584 -0.013 0.000 1.186 153 A CA 2.080 54.110 52.037 -0.011 0.000 0.624 153 A CB -1.424 17.570 19.000 -0.010 0.000 0.822 153 A HN 0.466 nan 8.150 nan 0.000 0.444 154 G N -0.670 108.121 108.800 -0.014 0.000 2.448 154 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.219 154 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.219 154 G C 1.467 176.356 174.900 -0.018 0.000 1.127 154 G CA 1.186 46.276 45.100 -0.017 0.000 0.766 154 G HN 0.480 nan 8.290 nan 0.000 0.552 155 L N 0.305 121.518 121.223 -0.017 0.000 2.044 155 L HA 0.188 4.528 4.340 -0.000 0.000 0.205 155 L C 2.898 179.758 176.870 -0.017 0.000 1.075 155 L CA 1.397 56.227 54.840 -0.017 0.000 0.747 155 L CB -0.450 41.600 42.059 -0.015 0.000 0.903 155 L HN 0.076 nan 8.230 nan 0.000 0.435 156 R N -0.400 120.091 120.500 -0.015 0.000 2.103 156 R HA -0.242 4.097 4.340 -0.000 0.000 0.242 156 R C 2.199 178.489 176.300 -0.017 0.000 1.142 156 R CA 1.662 57.754 56.100 -0.014 0.000 0.960 156 R CB -0.485 29.807 30.300 -0.012 0.000 0.858 156 R HN 0.427 nan 8.270 nan 0.000 0.439 157 E N 0.989 121.179 120.200 -0.017 0.000 2.038 157 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 157 E C 1.870 178.455 176.600 -0.025 0.000 1.000 157 E CA 1.767 58.155 56.400 -0.020 0.000 0.803 157 E CB -0.228 29.461 29.700 -0.018 0.000 0.750 157 E HN 0.327 nan 8.360 nan 0.000 0.448 158 A N 0.347 123.151 122.820 -0.027 0.000 1.940 158 A HA -0.236 4.083 4.320 -0.000 0.000 0.219 158 A C 2.022 179.584 177.584 -0.036 0.000 1.176 158 A CA 1.748 53.765 52.037 -0.034 0.000 0.631 158 A CB -0.612 18.370 19.000 -0.031 0.000 0.814 158 A HN 0.410 nan 8.150 nan 0.000 0.446 159 Q N -0.530 119.254 119.800 -0.027 0.000 2.515 159 Q HA -0.040 4.300 4.340 -0.000 0.000 0.214 159 Q C 1.597 177.581 176.000 -0.026 0.000 0.971 159 Q CA 1.167 56.956 55.803 -0.024 0.000 0.952 159 Q CB -0.168 28.559 28.738 -0.017 0.000 0.999 159 Q HN 0.921 nan 8.270 nan 0.000 0.524 160 T N -4.567 109.968 114.554 -0.031 0.000 2.999 160 T HA 0.071 4.420 4.350 -0.000 0.000 0.247 160 T C 0.647 175.320 174.700 -0.046 0.000 1.012 160 T CA -0.293 61.788 62.100 -0.031 0.000 1.048 160 T CB 0.266 69.121 68.868 -0.023 0.000 1.020 160 T HN 0.030 nan 8.240 nan 0.000 0.478 161 Q N 2.486 122.249 119.800 -0.061 0.000 2.304 161 Q HA 0.264 4.604 4.340 -0.000 0.000 0.260 161 Q C -1.871 174.035 176.000 -0.156 0.000 0.965 161 Q CA -2.066 53.679 55.803 -0.096 0.000 0.898 161 Q CB 1.357 30.041 28.738 -0.090 0.000 1.196 161 Q HN 0.201 nan 8.270 nan 0.000 0.402 162 P HA -0.139 nan 4.420 nan 0.000 0.217 162 P C 1.074 178.114 177.300 -0.433 0.000 1.151 162 P CA 1.193 64.108 63.100 -0.308 0.000 0.828 162 P CB 0.156 31.665 31.700 -0.319 0.000 0.788 163 G N -0.631 107.781 108.800 -0.647 0.000 2.422 163 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.218 163 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.218 163 G C 1.769 176.570 174.900 -0.165 0.000 1.146 163 G CA 0.757 45.627 45.100 -0.383 0.000 0.769 163 G HN 0.215 nan 8.290 nan 0.000 0.547 164 S N 0.067 115.683 115.700 -0.139 0.000 2.414 164 S HA 0.064 4.534 4.470 -0.000 0.000 0.227 164 S C 2.258 176.826 174.600 -0.053 0.000 1.022 164 S CA 0.362 58.515 58.200 -0.077 0.000 0.958 164 S CB -0.115 63.047 63.200 -0.064 0.000 0.797 164 S HN 0.399 nan 8.310 nan 0.000 0.493 165 I N 1.034 121.565 120.570 -0.066 0.000 2.353 165 I HA -0.115 4.055 4.170 -0.000 0.000 0.248 165 I C 2.223 178.336 176.117 -0.008 0.000 1.119 165 I CA 0.804 62.085 61.300 -0.033 0.000 1.417 165 I CB -0.264 37.714 38.000 -0.037 0.000 1.078 165 I HN 0.255 nan 8.210 nan 0.000 0.421 166 L N 0.833 122.040 121.223 -0.027 0.000 1.994 166 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 166 L C 2.517 179.416 176.870 0.048 0.000 1.071 166 L CA 2.051 56.897 54.840 0.009 0.000 0.745 166 L CB -0.796 41.249 42.059 -0.023 0.000 0.892 166 L HN 0.317 nan 8.230 nan 0.000 0.431 167 G N -0.797 108.007 108.800 0.006 0.000 2.432 167 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.219 167 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.219 167 G C 1.669 176.629 174.900 0.100 0.000 1.135 167 G CA 0.458 45.574 45.100 0.026 0.000 0.767 167 G HN 0.336 nan 8.290 nan 0.000 0.550 168 R N -0.855 119.688 120.500 0.072 0.000 2.080 168 R HA 0.178 4.518 4.340 -0.000 0.000 0.222 168 R C 2.636 178.995 176.300 0.100 0.000 1.107 168 R CA 0.271 56.417 56.100 0.077 0.000 0.980 168 R CB -0.170 30.153 30.300 0.038 0.000 0.879 168 R HN 0.021 nan 8.270 nan 0.000 0.439 169 R N 0.062 120.619 120.500 0.096 0.000 2.148 169 R HA -0.031 4.309 4.340 -0.000 0.000 0.223 169 R C 1.820 178.186 176.300 0.109 0.000 1.088 169 R CA 1.070 57.220 56.100 0.084 0.000 0.985 169 R CB -0.339 29.997 30.300 0.060 0.000 0.880 169 R HN 0.175 nan 8.270 nan 0.000 0.451 170 F N 1.078 121.039 119.950 0.017 0.000 2.134 170 F HA -0.229 4.298 4.527 -0.000 0.000 0.299 170 F C 2.418 178.252 175.800 0.056 0.000 1.097 170 F CA 2.202 60.213 58.000 0.018 0.000 1.264 170 F CB -0.296 38.707 39.000 0.005 0.000 1.001 170 F HN 0.122 nan 8.300 nan 0.000 0.479 171 T N -2.723 112.020 114.554 0.315 0.000 2.915 171 T HA -0.135 4.215 4.350 -0.000 0.000 0.269 171 T C 1.730 176.572 174.700 0.237 0.000 1.071 171 T CA 1.402 63.701 62.100 0.332 0.000 1.132 171 T CB -0.504 68.550 68.868 0.310 0.000 0.878 171 T HN 0.408 nan 8.240 nan 0.000 0.479 172 E N 0.888 121.169 120.200 0.134 0.000 2.028 172 E HA 0.003 4.353 4.350 -0.000 0.000 0.191 172 E C 2.238 178.854 176.600 0.026 0.000 0.988 172 E CA 1.191 57.644 56.400 0.088 0.000 0.799 172 E CB -0.244 29.489 29.700 0.056 0.000 0.755 172 E HN 0.476 nan 8.360 nan 0.000 0.447 173 L N 0.446 121.634 121.223 -0.060 0.000 2.056 173 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 173 L C 2.582 179.332 176.870 -0.201 0.000 1.078 173 L CA 0.782 55.543 54.840 -0.131 0.000 0.749 173 L CB -0.449 41.499 42.059 -0.184 0.000 0.901 173 L HN 0.138 nan 8.230 nan 0.000 0.433 174 A N -0.275 122.355 122.820 -0.316 0.000 1.851 174 A HA -0.242 4.078 4.320 -0.000 0.000 0.216 174 A C 1.887 179.219 177.584 -0.421 0.000 1.195 174 A CA 1.857 53.614 52.037 -0.468 0.000 0.622 174 A CB -0.775 17.861 19.000 -0.607 0.000 0.831 174 A HN 0.407 nan 8.150 nan 0.000 0.444 175 Y N -1.296 119.013 120.300 0.015 0.000 2.507 175 Y HA 0.358 4.907 4.550 -0.000 0.000 0.263 175 Y C 2.066 178.027 175.900 0.103 0.000 1.093 175 Y CA 0.121 58.262 58.100 0.069 0.000 1.285 175 Y CB -0.391 38.181 38.460 0.186 0.000 1.115 175 Y HN 0.578 nan 8.280 nan 0.000 0.533 176 G N 1.167 110.086 108.800 0.198 0.000 2.622 176 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.307 176 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.307 176 G C 1.044 176.048 174.900 0.173 0.000 1.226 176 G CA 0.810 45.992 45.100 0.137 0.000 0.997 176 G HN 0.363 nan 8.290 nan 0.000 0.551 177 K N 1.019 121.505 120.400 0.142 0.000 2.487 177 K HA 0.108 4.428 4.320 -0.000 0.000 0.192 177 K C 1.039 177.737 176.600 0.163 0.000 1.027 177 K CA 0.435 56.792 56.287 0.118 0.000 1.054 177 K CB 0.035 32.578 32.500 0.071 0.000 0.824 177 K HN 0.667 nan 8.250 nan 0.000 0.510 178 H N 0.909 120.058 119.070 0.131 0.000 2.790 178 H HA 0.011 4.567 4.556 -0.000 0.000 0.358 178 H C -1.825 173.587 175.328 0.140 0.000 1.103 178 H CA -1.075 55.044 56.048 0.118 0.000 1.426 178 H CB 1.111 30.971 29.762 0.164 0.000 1.424 178 H HN -0.196 nan 8.280 nan 0.000 0.599 179 P HA -0.246 nan 4.420 nan 0.000 0.216 179 P C 0.810 178.115 177.300 0.009 0.000 1.154 179 P CA 1.438 64.407 63.100 -0.219 0.000 0.865 179 P CB -0.015 31.403 31.700 -0.470 0.000 0.789 180 Y N -0.537 119.784 120.300 0.035 0.000 2.403 180 Y HA 0.002 4.551 4.550 -0.000 0.000 0.291 180 Y C 2.446 178.295 175.900 -0.086 0.000 1.143 180 Y CA 0.911 58.908 58.100 -0.171 0.000 1.257 180 Y CB -1.714 36.310 38.460 -0.726 0.000 0.984 180 Y HN -0.031 nan 8.280 nan 0.000 0.550 181 G N -1.663 107.337 108.800 0.333 0.000 3.026 181 G HA2 -0.086 3.873 3.960 -0.000 0.000 0.208 181 G HA3 -0.086 3.873 3.960 -0.000 0.000 0.208 181 G C -0.190 174.877 174.900 0.278 0.000 1.169 181 G CA -0.219 45.084 45.100 0.339 0.000 0.788 181 G HN 0.271 nan 8.290 nan 0.000 0.533 182 H N -0.228 118.891 119.070 0.081 0.000 3.034 182 H HA 0.318 4.874 4.556 -0.000 0.000 0.324 182 H C -0.287 175.061 175.328 0.034 0.000 1.015 182 H CA 0.291 56.363 56.048 0.040 0.000 1.429 182 H CB 1.092 30.860 29.762 0.011 0.000 1.429 182 H HN -0.071 nan 8.280 nan 0.000 0.585 183 V N 3.289 123.251 119.914 0.080 0.000 2.612 183 V HA 0.187 4.306 4.120 -0.000 0.000 0.301 183 V C -0.393 175.709 176.094 0.013 0.000 1.059 183 V CA -0.999 61.332 62.300 0.052 0.000 0.886 183 V CB 1.849 33.700 31.823 0.048 0.000 1.007 183 V HN 0.935 nan 8.190 nan 0.000 0.426 184 S N 3.542 119.250 115.700 0.013 0.000 2.548 184 S HA 0.682 5.152 4.470 -0.000 0.000 0.277 184 S C 0.167 174.762 174.600 -0.009 0.000 1.315 184 S CA -0.185 58.012 58.200 -0.005 0.000 1.050 184 S CB 1.370 64.567 63.200 -0.006 0.000 0.918 184 S HN 1.112 nan 8.310 nan 0.000 0.497 185 S N 1.629 117.320 115.700 -0.015 0.000 2.726 185 S HA 0.471 4.941 4.470 -0.000 0.000 0.308 185 S C 1.024 175.615 174.600 -0.016 0.000 1.115 185 S CA -0.316 57.876 58.200 -0.014 0.000 0.965 185 S CB 0.926 64.117 63.200 -0.015 0.000 1.145 185 S HN 1.506 nan 8.310 nan 0.000 0.532 186 V N 0.481 120.387 119.914 -0.014 0.000 2.594 186 V HA 0.031 4.151 4.120 -0.000 0.000 0.253 186 V C 2.274 178.359 176.094 -0.015 0.000 1.069 186 V CA 2.312 64.604 62.300 -0.014 0.000 1.082 186 V CB -1.366 30.450 31.823 -0.012 0.000 0.680 186 V HN 1.012 nan 8.190 nan 0.000 0.469 187 A N -0.287 122.523 122.820 -0.016 0.000 1.897 187 A HA -0.120 4.200 4.320 -0.000 0.000 0.215 187 A C 2.347 179.919 177.584 -0.021 0.000 1.181 187 A CA 2.275 54.302 52.037 -0.017 0.000 0.620 187 A CB -1.252 17.738 19.000 -0.017 0.000 0.821 187 A HN 0.538 nan 8.150 nan 0.000 0.443 188 T N 0.316 114.856 114.554 -0.024 0.000 2.635 188 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 188 T C 1.695 176.378 174.700 -0.028 0.000 1.040 188 T CA 1.803 63.885 62.100 -0.029 0.000 1.156 188 T CB -0.346 68.503 68.868 -0.032 0.000 0.863 188 T HN 0.204 nan 8.240 nan 0.000 0.430 189 L N 1.123 122.331 121.223 -0.025 0.000 2.265 189 L HA -0.012 4.328 4.340 -0.000 0.000 0.215 189 L C 2.462 179.319 176.870 -0.023 0.000 1.117 189 L CA 1.503 56.328 54.840 -0.025 0.000 0.782 189 L CB -0.911 41.135 42.059 -0.021 0.000 0.914 189 L HN 0.370 nan 8.230 nan 0.000 0.441 190 Q N -1.238 118.550 119.800 -0.020 0.000 2.137 190 Q HA -0.195 4.145 4.340 -0.000 0.000 0.198 190 Q C 2.128 178.117 176.000 -0.020 0.000 0.960 190 Q CA 0.939 56.732 55.803 -0.018 0.000 0.847 190 Q CB 0.004 28.733 28.738 -0.014 0.000 0.915 190 Q HN 0.244 nan 8.270 nan 0.000 0.448 191 K N 0.710 121.097 120.400 -0.022 0.000 2.044 191 K HA -0.117 4.203 4.320 -0.000 0.000 0.210 191 K C 0.395 176.978 176.600 -0.029 0.000 1.049 191 K CA 0.659 56.932 56.287 -0.024 0.000 0.927 191 K CB -0.262 32.222 32.500 -0.026 0.000 0.713 191 K HN 0.101 nan 8.250 nan 0.000 0.443 192 I N 2.466 123.014 120.570 -0.037 0.000 3.148 192 I HA -0.169 4.001 4.170 -0.000 0.000 0.317 192 I C 0.624 176.715 176.117 -0.044 0.000 1.237 192 I CA 0.849 62.120 61.300 -0.049 0.000 1.423 192 I CB -1.347 36.621 38.000 -0.054 0.000 1.352 192 I HN 0.243 nan 8.210 nan 0.000 0.526 193 S N 7.080 122.751 115.700 -0.049 0.000 2.681 193 S HA 0.439 4.909 4.470 -0.000 0.000 0.299 193 S C 1.011 175.570 174.600 -0.068 0.000 1.113 193 S CA -0.862 57.312 58.200 -0.043 0.000 1.013 193 S CB 2.753 65.936 63.200 -0.028 0.000 1.076 193 S HN 0.667 nan 8.310 nan 0.000 0.534 194 R N 0.297 120.764 120.500 -0.055 0.000 2.073 194 R HA -0.114 4.226 4.340 -0.000 0.000 0.234 194 R C 0.985 177.221 176.300 -0.107 0.000 1.134 194 R CA 1.936 57.988 56.100 -0.080 0.000 0.952 194 R CB -0.632 29.659 30.300 -0.016 0.000 0.850 194 R HN 0.765 nan 8.270 nan 0.000 0.433 195 D N 0.535 120.904 120.400 -0.050 0.000 2.149 195 D HA -0.185 4.455 4.640 -0.000 0.000 0.198 195 D C 1.947 178.225 176.300 -0.036 0.000 0.990 195 D CA 1.225 55.208 54.000 -0.029 0.000 0.839 195 D CB -0.112 40.685 40.800 -0.004 0.000 0.948 195 D HN 0.403 nan 8.370 nan 0.000 0.460 196 Q N -0.242 119.529 119.800 -0.048 0.000 2.124 196 Q HA -0.077 4.263 4.340 -0.000 0.000 0.202 196 Q C 2.459 178.425 176.000 -0.056 0.000 0.977 196 Q CA 0.663 56.448 55.803 -0.030 0.000 0.850 196 Q CB 0.034 28.745 28.738 -0.044 0.000 0.901 196 Q HN 0.356 nan 8.270 nan 0.000 0.429 197 L N -0.413 120.684 121.223 -0.210 0.000 2.072 197 L HA -0.125 4.215 4.340 -0.000 0.000 0.205 197 L C 2.338 178.984 176.870 -0.373 0.000 1.079 197 L CA 0.608 55.198 54.840 -0.417 0.000 0.752 197 L CB -0.421 41.096 42.059 -0.903 0.000 0.906 197 L HN 0.079 nan 8.230 nan 0.000 0.436 198 V N -0.740 118.994 119.914 -0.299 0.000 2.343 198 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 198 V C 2.614 178.778 176.094 0.116 0.000 1.051 198 V CA 1.968 64.253 62.300 -0.024 0.000 1.036 198 V CB -0.204 31.646 31.823 0.044 0.000 0.654 198 V HN 0.353 nan 8.190 nan 0.000 0.451 199 S N -0.733 115.020 115.700 0.089 0.000 2.368 199 S HA -0.134 4.336 4.470 -0.000 0.000 0.224 199 S C 1.760 176.471 174.600 0.184 0.000 1.029 199 S CA 1.505 59.774 58.200 0.115 0.000 0.988 199 S CB -0.378 62.880 63.200 0.096 0.000 0.838 199 S HN 0.593 nan 8.310 nan 0.000 0.462 200 F N 1.693 121.709 119.950 0.109 0.000 2.186 200 F HA -0.103 4.424 4.527 -0.000 0.000 0.299 200 F C 2.231 178.233 175.800 0.337 0.000 1.090 200 F CA 1.862 60.005 58.000 0.238 0.000 1.307 200 F CB -0.389 38.685 39.000 0.124 0.000 1.019 200 F HN 0.307 nan 8.300 nan 0.000 0.489 201 H N -0.024 119.213 119.070 0.277 0.000 2.389 201 H HA -0.097 4.459 4.556 -0.000 0.000 0.299 201 H C 2.501 177.898 175.328 0.115 0.000 1.081 201 H CA 2.010 58.188 56.048 0.217 0.000 1.345 201 H CB -0.258 29.584 29.762 0.133 0.000 1.393 201 H HN 0.211 nan 8.280 nan 0.000 0.520 202 R N -0.260 120.236 120.500 -0.006 0.000 2.115 202 R HA -0.094 4.246 4.340 -0.000 0.000 0.230 202 R C 1.843 178.044 176.300 -0.164 0.000 1.111 202 R CA 1.775 57.819 56.100 -0.094 0.000 0.976 202 R CB -0.114 30.195 30.300 0.015 0.000 0.870 202 R HN 0.587 nan 8.270 nan 0.000 0.445 203 T N -3.511 110.928 114.554 -0.192 0.000 3.015 203 T HA 0.068 4.418 4.350 -0.000 0.000 0.250 203 T C 1.478 175.874 174.700 -0.507 0.000 1.057 203 T CA 0.238 62.136 62.100 -0.338 0.000 1.066 203 T CB 0.038 68.665 68.868 -0.403 0.000 0.959 203 T HN 0.286 nan 8.240 nan 0.000 0.488 204 H N -0.975 117.880 119.070 -0.359 0.000 2.545 204 H HA 0.241 4.797 4.556 -0.000 0.000 0.283 204 H C -0.278 174.785 175.328 -0.442 0.000 0.997 204 H CA 0.031 55.816 56.048 -0.438 0.000 1.269 204 H CB 0.254 29.549 29.762 -0.778 0.000 1.451 204 H HN 0.371 nan 8.280 nan 0.000 0.508 205 Y N 1.664 121.714 120.300 -0.418 0.000 2.594 205 Y HA 0.287 4.837 4.550 -0.000 0.000 0.344 205 Y C -0.096 175.483 175.900 -0.536 0.000 1.185 205 Y CA -0.028 57.591 58.100 -0.802 0.000 1.565 205 Y CB 0.475 38.370 38.460 -0.942 0.000 1.415 205 Y HN -0.162 nan 8.280 nan 0.000 0.488 206 V N 1.600 121.455 119.914 -0.099 0.000 2.851 206 V HA 0.453 4.573 4.120 -0.000 0.000 0.307 206 V C 0.515 176.708 176.094 0.166 0.000 1.129 206 V CA -0.457 61.851 62.300 0.014 0.000 0.932 206 V CB 2.042 33.820 31.823 -0.075 0.000 1.024 206 V HN 0.640 nan 8.190 nan 0.000 0.426 207 A N 5.177 128.059 122.820 0.104 0.000 2.019 207 A HA -0.069 4.251 4.320 -0.000 0.000 0.219 207 A C 1.873 179.492 177.584 0.058 0.000 1.164 207 A CA 1.399 53.496 52.037 0.100 0.000 0.644 207 A CB -0.233 18.802 19.000 0.058 0.000 0.805 207 A HN 0.774 nan 8.150 nan 0.000 0.449 208 R N -0.702 119.820 120.500 0.037 0.000 2.100 208 R HA -0.039 4.301 4.340 -0.000 0.000 0.220 208 R C 1.965 178.269 176.300 0.007 0.000 1.091 208 R CA 1.645 57.752 56.100 0.013 0.000 0.986 208 R CB -0.909 29.390 30.300 -0.003 0.000 0.888 208 R HN 0.663 nan 8.270 nan 0.000 0.444 209 T N -1.615 112.954 114.554 0.025 0.000 3.144 209 T HA 0.350 4.700 4.350 -0.000 0.000 0.249 209 T C 0.582 175.292 174.700 0.017 0.000 1.089 209 T CA -0.168 61.940 62.100 0.013 0.000 0.989 209 T CB 0.147 69.030 68.868 0.025 0.000 0.992 209 T HN 0.117 nan 8.240 nan 0.000 0.540 210 A N 0.902 123.719 122.820 -0.006 0.000 2.354 210 A HA 0.652 4.972 4.320 -0.000 0.000 0.269 210 A C -0.276 177.200 177.584 -0.179 0.000 1.109 210 A CA -0.527 51.380 52.037 -0.217 0.000 0.800 210 A CB 0.754 19.663 19.000 -0.151 0.000 1.045 210 A HN 0.406 nan 8.150 nan 0.000 0.489 211 V N 3.979 123.745 119.914 -0.246 0.000 2.380 211 V HA 0.289 4.409 4.120 -0.000 0.000 0.286 211 V C -0.472 175.545 176.094 -0.128 0.000 1.015 211 V CA -0.422 61.822 62.300 -0.093 0.000 0.834 211 V CB 1.411 33.236 31.823 0.004 0.000 1.009 211 V HN 0.653 nan 8.190 nan 0.000 0.428 212 V N 4.096 123.962 119.914 -0.081 0.000 2.394 212 V HA 0.596 4.716 4.120 -0.000 0.000 0.282 212 V C 0.393 176.482 176.094 -0.009 0.000 1.031 212 V CA -0.203 62.058 62.300 -0.065 0.000 0.881 212 V CB 1.831 33.614 31.823 -0.067 0.000 0.982 212 V HN 0.905 nan 8.190 nan 0.000 0.451 213 T N 6.346 120.906 114.554 0.010 0.000 2.840 213 T HA 0.694 5.044 4.350 -0.000 0.000 0.287 213 T C -1.040 173.699 174.700 0.066 0.000 0.991 213 T CA -0.439 61.692 62.100 0.052 0.000 0.964 213 T CB 0.615 69.500 68.868 0.028 0.000 0.954 213 T HN 0.400 nan 8.240 nan 0.000 0.438 214 L N 4.820 126.114 121.223 0.119 0.000 2.313 214 L HA 0.783 5.123 4.340 -0.000 0.000 0.283 214 L C -0.794 176.199 176.870 0.204 0.000 1.013 214 L CA -1.063 53.878 54.840 0.167 0.000 0.816 214 L CB 2.103 44.288 42.059 0.211 0.000 1.236 214 L HN 0.443 nan 8.230 nan 0.000 0.419 215 V N 2.626 122.620 119.914 0.133 0.000 2.525 215 V HA 0.959 5.079 4.120 -0.000 0.000 0.299 215 V C 0.210 176.356 176.094 0.086 0.000 1.034 215 V CA -0.188 62.164 62.300 0.086 0.000 0.863 215 V CB 1.377 33.219 31.823 0.031 0.000 0.999 215 V HN 0.989 nan 8.190 nan 0.000 0.423 216 G N 3.860 112.717 108.800 0.094 0.000 2.352 216 G HA2 0.208 4.168 3.960 -0.000 0.000 0.283 216 G HA3 0.208 4.168 3.960 -0.000 0.000 0.283 216 G C -1.261 173.704 174.900 0.108 0.000 1.308 216 G CA -0.320 44.830 45.100 0.084 0.000 0.892 216 G HN 0.651 nan 8.290 nan 0.000 0.504 217 D N 0.105 120.556 120.400 0.085 0.000 2.671 217 D HA 0.454 5.094 4.640 -0.000 0.000 0.228 217 D C -0.257 176.103 176.300 0.100 0.000 1.102 217 D CA 0.153 54.202 54.000 0.081 0.000 1.044 217 D CB -0.331 40.501 40.800 0.054 0.000 1.113 217 D HN 0.412 nan 8.370 nan 0.000 0.480 218 I N 1.044 121.707 120.570 0.155 0.000 2.752 218 I HA 0.230 4.400 4.170 -0.000 0.000 0.295 218 I C 0.319 176.558 176.117 0.204 0.000 1.219 218 I CA -0.609 60.781 61.300 0.150 0.000 1.030 218 I CB 2.001 40.085 38.000 0.139 0.000 1.259 218 I HN 0.193 nan 8.210 nan 0.000 0.423 219 T N 2.851 117.463 114.554 0.097 0.000 2.754 219 T HA 0.290 4.640 4.350 -0.000 0.000 0.286 219 T C 1.246 175.896 174.700 -0.083 0.000 0.997 219 T CA -0.132 62.017 62.100 0.082 0.000 0.982 219 T CB 0.831 69.712 68.868 0.023 0.000 1.027 219 T HN 0.555 nan 8.240 nan 0.000 0.529 220 R N 0.521 120.970 120.500 -0.085 0.000 2.073 220 R HA -0.003 4.337 4.340 -0.000 0.000 0.234 220 R C 2.631 178.734 176.300 -0.328 0.000 1.134 220 R CA 1.919 57.828 56.100 -0.319 0.000 0.952 220 R CB -1.644 28.576 30.300 -0.133 0.000 0.850 220 R HN 0.870 nan 8.270 nan 0.000 0.433 221 A N 1.091 123.791 122.820 -0.200 0.000 1.933 221 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 221 A C 2.014 179.522 177.584 -0.125 0.000 1.175 221 A CA 1.623 53.559 52.037 -0.168 0.000 0.628 221 A CB -0.349 18.586 19.000 -0.108 0.000 0.814 221 A HN 0.495 nan 8.150 nan 0.000 0.444 222 E N -0.249 119.888 120.200 -0.105 0.000 2.106 222 E HA -0.061 4.289 4.350 -0.000 0.000 0.192 222 E C 2.338 178.902 176.600 -0.059 0.000 0.984 222 E CA 0.816 57.179 56.400 -0.061 0.000 0.806 222 E CB -0.286 29.395 29.700 -0.031 0.000 0.750 222 E HN 0.620 nan 8.360 nan 0.000 0.458 223 A N 1.670 124.405 122.820 -0.143 0.000 1.877 223 A HA -0.245 4.075 4.320 -0.000 0.000 0.216 223 A C 1.966 179.647 177.584 0.162 0.000 1.186 223 A CA 1.516 53.514 52.037 -0.066 0.000 0.620 223 A CB -0.432 18.348 19.000 -0.368 0.000 0.822 223 A HN 0.147 nan 8.150 nan 0.000 0.443 224 E N -0.636 119.642 120.200 0.129 0.000 2.038 224 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 224 E C 2.371 179.043 176.600 0.119 0.000 1.000 224 E CA 2.106 58.611 56.400 0.175 0.000 0.803 224 E CB -0.344 29.241 29.700 -0.190 0.000 0.750 224 E HN 0.859 nan 8.360 nan 0.000 0.448 225 T N -0.189 114.383 114.554 0.030 0.000 2.701 225 T HA -0.135 4.215 4.350 -0.000 0.000 0.263 225 T C 2.047 176.774 174.700 0.044 0.000 1.040 225 T CA 1.007 63.123 62.100 0.026 0.000 1.147 225 T CB -0.601 68.267 68.868 0.000 0.000 0.865 225 T HN 0.057 nan 8.240 nan 0.000 0.426 226 I N 2.346 122.941 120.570 0.042 0.000 2.113 226 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 226 I C 3.243 179.393 176.117 0.055 0.000 1.064 226 I CA 1.631 62.958 61.300 0.044 0.000 1.320 226 I CB -0.718 37.308 38.000 0.042 0.000 1.028 226 I HN 0.405 nan 8.210 nan 0.000 0.406 227 A N -0.115 122.750 122.820 0.075 0.000 1.908 227 A HA -0.311 4.009 4.320 -0.000 0.000 0.218 227 A C 2.211 179.830 177.584 0.058 0.000 1.181 227 A CA 2.173 54.246 52.037 0.060 0.000 0.627 227 A CB -0.665 18.376 19.000 0.069 0.000 0.818 227 A HN 0.477 nan 8.150 nan 0.000 0.445 228 Q N -0.138 119.708 119.800 0.077 0.000 2.046 228 Q HA -0.176 4.163 4.340 -0.000 0.000 0.200 228 Q C 2.114 178.143 176.000 0.048 0.000 0.975 228 Q CA 2.137 57.977 55.803 0.062 0.000 0.836 228 Q CB -0.456 28.319 28.738 0.062 0.000 0.896 228 Q HN 0.735 nan 8.270 nan 0.000 0.428 229 Q N -0.406 119.421 119.800 0.045 0.000 2.248 229 Q HA -0.136 4.204 4.340 -0.000 0.000 0.208 229 Q C 1.682 177.706 176.000 0.040 0.000 0.984 229 Q CA 1.220 57.047 55.803 0.039 0.000 0.875 229 Q CB -0.077 28.682 28.738 0.035 0.000 0.910 229 Q HN 0.431 nan 8.270 nan 0.000 0.433 230 L N -0.334 120.915 121.223 0.043 0.000 2.591 230 L HA 0.023 4.363 4.340 -0.000 0.000 0.228 230 L C 1.545 178.453 176.870 0.064 0.000 1.133 230 L CA 0.877 55.746 54.840 0.048 0.000 0.880 230 L CB 0.107 42.195 42.059 0.048 0.000 1.033 230 L HN 0.291 nan 8.230 nan 0.000 0.450 231 T N -6.212 108.376 114.554 0.057 0.000 3.009 231 T HA 0.256 4.606 4.350 -0.000 0.000 0.267 231 T C 1.645 176.377 174.700 0.053 0.000 0.942 231 T CA 0.438 62.581 62.100 0.072 0.000 0.883 231 T CB 0.388 69.293 68.868 0.061 0.000 1.192 231 T HN 0.056 nan 8.240 nan 0.000 0.524 232 A N 2.303 125.149 122.820 0.043 0.000 1.930 232 A HA -0.014 4.306 4.320 -0.000 0.000 0.217 232 A C 1.851 179.456 177.584 0.036 0.000 1.175 232 A CA 1.639 53.699 52.037 0.038 0.000 0.627 232 A CB -0.682 18.341 19.000 0.038 0.000 0.815 232 A HN 0.391 nan 8.150 nan 0.000 0.443 233 D N -0.427 119.992 120.400 0.031 0.000 2.355 233 D HA 0.159 4.798 4.640 -0.000 0.000 0.218 233 D C 0.572 176.865 176.300 -0.012 0.000 1.004 233 D CA 0.154 54.174 54.000 0.034 0.000 0.880 233 D CB -0.106 40.723 40.800 0.048 0.000 0.911 233 D HN 0.425 nan 8.370 nan 0.000 0.528 234 L N 0.769 121.983 121.223 -0.015 0.000 2.475 234 L HA 0.301 4.641 4.340 -0.000 0.000 0.253 234 L C -1.782 175.080 176.870 -0.012 0.000 1.198 234 L CA -1.792 53.030 54.840 -0.030 0.000 0.814 234 L CB -0.157 41.909 42.059 0.013 0.000 1.134 234 L HN -0.207 nan 8.230 nan 0.000 0.478 235 P HA 0.151 nan 4.420 nan 0.000 0.276 235 P C -0.128 177.162 177.300 -0.017 0.000 1.252 235 P CA -0.366 62.719 63.100 -0.026 0.000 0.802 235 P CB 0.801 32.471 31.700 -0.051 0.000 1.035 236 A N 1.430 124.242 122.820 -0.013 0.000 1.841 236 A HA 0.295 4.615 4.320 -0.000 0.000 0.214 236 A C 1.304 178.876 177.584 -0.021 0.000 1.195 236 A CA 1.887 53.919 52.037 -0.009 0.000 0.611 236 A CB -1.675 17.320 19.000 -0.008 0.000 0.835 236 A HN 0.817 nan 8.150 nan 0.000 0.443 237 G N -1.810 106.966 108.800 -0.041 0.000 2.598 237 G HA2 0.369 4.329 3.960 -0.000 0.000 0.244 237 G HA3 0.369 4.329 3.960 -0.000 0.000 0.244 237 G C -0.005 174.863 174.900 -0.054 0.000 1.302 237 G CA 0.178 45.239 45.100 -0.065 0.000 0.903 237 G HN 2.190 nan 8.290 nan 0.000 0.575 238 A N -2.238 120.543 122.820 -0.066 0.000 2.604 238 A HA 0.839 5.159 4.320 -0.000 0.000 0.295 238 A C 0.050 177.602 177.584 -0.054 0.000 1.067 238 A CA 0.763 52.769 52.037 -0.052 0.000 0.683 238 A CB 0.923 19.892 19.000 -0.052 0.000 1.281 238 A HN 1.896 nan 8.150 nan 0.000 0.407 239 T N 1.749 116.279 114.554 -0.040 0.000 2.946 239 T HA 0.309 4.659 4.350 -0.000 0.000 0.312 239 T C 0.303 174.978 174.700 -0.042 0.000 1.066 239 T CA 0.835 62.910 62.100 -0.041 0.000 1.138 239 T CB -0.390 68.456 68.868 -0.036 0.000 1.014 239 T HN 0.400 nan 8.240 nan 0.000 0.544 240 L N 4.561 125.762 121.223 -0.037 0.000 2.379 240 L HA 0.389 4.729 4.340 -0.000 0.000 0.269 240 L C -1.788 175.071 176.870 -0.018 0.000 1.084 240 L CA -2.401 52.422 54.840 -0.028 0.000 0.802 240 L CB 0.516 42.571 42.059 -0.006 0.000 1.175 240 L HN 0.430 nan 8.230 nan 0.000 0.448 241 P HA 0.046 nan 4.420 nan 0.000 0.261 241 P C -2.326 174.971 177.300 -0.005 0.000 1.183 241 P CA -0.637 62.458 63.100 -0.008 0.000 0.761 241 P CB -0.398 31.299 31.700 -0.005 0.000 0.785 242 P HA 0.007 nan 4.420 nan 0.000 0.267 242 P C -0.329 176.971 177.300 0.000 0.000 1.201 242 P CA 0.131 63.232 63.100 0.002 0.000 0.775 242 P CB 0.602 32.306 31.700 0.008 0.000 0.854 243 L N 3.934 125.156 121.223 -0.002 0.000 2.380 243 L HA 0.239 4.579 4.340 -0.000 0.000 0.273 243 L C -1.462 175.416 176.870 0.013 0.000 1.138 243 L CA -1.734 53.088 54.840 -0.031 0.000 0.832 243 L CB -0.298 41.707 42.059 -0.090 0.000 1.124 243 L HN 0.324 nan 8.230 nan 0.000 0.454 244 P HA 0.049 nan 4.420 nan 0.000 0.271 244 P C -0.994 176.391 177.300 0.142 0.000 1.220 244 P CA -0.493 62.644 63.100 0.061 0.000 0.768 244 P CB 0.459 32.187 31.700 0.047 0.000 0.848 245 D N 4.557 125.022 120.400 0.107 0.000 2.571 245 D HA 0.016 4.656 4.640 -0.000 0.000 0.231 245 D C -1.650 174.714 176.300 0.106 0.000 1.133 245 D CA -0.109 53.947 54.000 0.093 0.000 0.862 245 D CB -0.298 40.540 40.800 0.062 0.000 1.179 245 D HN 0.353 nan 8.370 nan 0.000 0.474 246 P HA 0.182 nan 4.420 nan 0.000 0.274 246 P C -0.908 176.401 177.300 0.015 0.000 1.246 246 P CA -0.571 62.513 63.100 -0.028 0.000 0.795 246 P CB 0.604 32.116 31.700 -0.312 0.000 1.006 247 A N 2.858 125.702 122.820 0.039 0.000 2.440 247 A HA 0.304 4.624 4.320 -0.000 0.000 0.251 247 A C 0.777 178.348 177.584 -0.021 0.000 1.089 247 A CA -0.415 51.632 52.037 0.016 0.000 0.779 247 A CB -0.615 18.401 19.000 0.027 0.000 1.022 247 A HN 0.513 nan 8.150 nan 0.000 0.492 248 M N 4.264 123.851 119.600 -0.022 0.000 2.252 248 M HA 0.174 4.654 4.480 -0.000 0.000 0.348 248 M C -1.849 174.425 176.300 -0.043 0.000 1.334 248 M CA -0.799 54.479 55.300 -0.038 0.000 1.071 248 M CB -0.157 32.429 32.600 -0.024 0.000 1.763 248 M HN 0.513 nan 8.290 nan 0.000 0.452 249 P HA 0.253 nan 4.420 nan 0.000 0.282 249 P C -1.219 176.052 177.300 -0.048 0.000 1.249 249 P CA -0.662 62.398 63.100 -0.066 0.000 0.806 249 P CB 0.632 32.265 31.700 -0.112 0.000 0.984 250 R N 1.394 121.872 120.500 -0.036 0.000 2.490 250 R HA 0.574 4.914 4.340 -0.000 0.000 0.278 250 R C -0.119 176.164 176.300 -0.029 0.000 1.069 250 R CA -0.658 55.428 56.100 -0.024 0.000 1.080 250 R CB 0.178 30.469 30.300 -0.015 0.000 1.030 250 R HN 0.447 nan 8.270 nan 0.000 0.491 251 A N 2.438 125.248 122.820 -0.016 0.000 2.540 251 A HA 0.286 4.606 4.320 -0.000 0.000 0.239 251 A C 0.195 177.771 177.584 -0.014 0.000 1.061 251 A CA 0.539 52.569 52.037 -0.012 0.000 0.758 251 A CB -0.093 18.912 19.000 0.008 0.000 0.991 251 A HN 0.938 nan 8.150 nan 0.000 0.502 252 T N -1.535 113.007 114.554 -0.021 0.000 2.754 252 T HA 0.670 5.020 4.350 -0.000 0.000 0.296 252 T C -0.911 173.786 174.700 -0.006 0.000 1.205 252 T CA -0.651 61.441 62.100 -0.013 0.000 1.009 252 T CB 1.285 70.140 68.868 -0.021 0.000 1.368 252 T HN 0.980 nan 8.240 nan 0.000 0.509 253 V N 0.959 120.874 119.914 0.001 0.000 2.569 253 V HA 0.532 4.651 4.120 -0.000 0.000 0.301 253 V C -0.892 175.208 176.094 0.010 0.000 1.044 253 V CA -0.715 61.592 62.300 0.012 0.000 0.874 253 V CB 1.629 33.465 31.823 0.020 0.000 1.002 253 V HN 0.954 nan 8.190 nan 0.000 0.424 254 E N 4.416 124.624 120.200 0.014 0.000 2.187 254 E HA 0.567 4.917 4.350 -0.000 0.000 0.268 254 E C -1.063 175.548 176.600 0.019 0.000 0.896 254 E CA -1.001 55.408 56.400 0.014 0.000 0.766 254 E CB 2.503 32.210 29.700 0.011 0.000 1.142 254 E HN 0.477 nan 8.360 nan 0.000 0.408 255 R N 2.966 123.475 120.500 0.016 0.000 2.294 255 R HA 0.518 4.858 4.340 -0.000 0.000 0.319 255 R C -0.186 176.123 176.300 0.014 0.000 0.984 255 R CA -0.565 55.545 56.100 0.016 0.000 0.861 255 R CB 0.779 31.088 30.300 0.015 0.000 1.104 255 R HN 0.490 nan 8.270 nan 0.000 0.451 256 I N 1.803 122.382 120.570 0.014 0.000 2.378 256 I HA 0.321 4.491 4.170 -0.000 0.000 0.291 256 I C 0.419 176.543 176.117 0.011 0.000 0.992 256 I CA -0.902 60.405 61.300 0.011 0.000 1.154 256 I CB 1.980 39.986 38.000 0.010 0.000 1.315 256 I HN 0.590 nan 8.210 nan 0.000 0.448 257 A N 5.043 127.868 122.820 0.009 0.000 2.425 257 A HA 0.500 4.820 4.320 -0.000 0.000 0.249 257 A C -0.348 177.241 177.584 0.007 0.000 1.084 257 A CA 0.058 52.101 52.037 0.009 0.000 0.781 257 A CB 0.196 19.201 19.000 0.008 0.000 1.019 257 A HN 0.782 nan 8.150 nan 0.000 0.490 258 N N 0.658 119.364 118.700 0.011 0.000 2.367 258 N HA 0.494 5.234 4.740 -0.000 0.000 0.278 258 N C -2.279 173.239 175.510 0.013 0.000 1.117 258 N CA -1.131 51.924 53.050 0.008 0.000 0.867 258 N CB 2.101 40.591 38.487 0.006 0.000 1.649 258 N HN 0.245 nan 8.380 nan 0.000 0.479 259 P HA 0.071 nan 4.420 nan 0.000 0.234 259 P C -0.128 177.182 177.300 0.016 0.000 1.167 259 P CA 0.223 63.330 63.100 0.011 0.000 0.763 259 P CB -0.042 31.662 31.700 0.006 0.000 0.835 260 A N 0.955 123.789 122.820 0.024 0.000 2.536 260 A HA 0.157 4.477 4.320 -0.000 0.000 0.234 260 A C 1.684 179.292 177.584 0.039 0.000 1.076 260 A CA 0.922 52.982 52.037 0.038 0.000 0.769 260 A CB -0.181 18.858 19.000 0.064 0.000 1.020 260 A HN 0.309 nan 8.150 nan 0.000 0.508 261 T N -1.216 113.361 114.554 0.039 0.000 3.067 261 T HA 0.128 4.478 4.350 -0.000 0.000 0.257 261 T C 0.653 175.372 174.700 0.031 0.000 1.105 261 T CA 0.937 63.054 62.100 0.029 0.000 1.104 261 T CB -0.075 68.804 68.868 0.018 0.000 0.925 261 T HN 0.630 nan 8.240 nan 0.000 0.498 262 Q N 0.616 120.446 119.800 0.050 0.000 2.312 262 Q HA 0.696 5.036 4.340 -0.000 0.000 0.263 262 Q C -1.162 174.877 176.000 0.065 0.000 0.995 262 Q CA -0.907 54.911 55.803 0.025 0.000 0.853 262 Q CB 2.128 30.848 28.738 -0.029 0.000 1.300 262 Q HN 0.476 nan 8.270 nan 0.000 0.448 263 A N 2.507 125.336 122.820 0.015 0.000 2.328 263 A HA 0.399 4.719 4.320 -0.000 0.000 0.284 263 A C -1.201 176.351 177.584 -0.053 0.000 1.160 263 A CA -0.346 51.712 52.037 0.035 0.000 0.818 263 A CB 0.148 19.153 19.000 0.008 0.000 1.087 263 A HN 0.704 nan 8.150 nan 0.000 0.504 264 H N 1.158 120.179 119.070 -0.082 0.000 2.552 264 H HA 0.554 5.109 4.556 -0.000 0.000 0.311 264 H C -0.792 174.407 175.328 -0.216 0.000 1.071 264 H CA -0.050 55.918 56.048 -0.134 0.000 1.307 264 H CB 0.858 30.570 29.762 -0.082 0.000 1.416 264 H HN 0.510 nan 8.280 nan 0.000 0.464 265 I N 2.400 122.763 120.570 -0.346 0.000 2.433 265 I HA 0.581 4.751 4.170 -0.000 0.000 0.292 265 I C -0.186 175.653 176.117 -0.464 0.000 1.001 265 I CA -0.446 60.572 61.300 -0.470 0.000 1.119 265 I CB 1.890 39.371 38.000 -0.865 0.000 1.289 265 I HN 0.668 nan 8.210 nan 0.000 0.438 266 A N 6.980 129.641 122.820 -0.264 0.000 2.374 266 A HA 0.952 5.272 4.320 -0.000 0.000 0.317 266 A C -0.878 176.686 177.584 -0.032 0.000 1.094 266 A CA -0.497 51.369 52.037 -0.286 0.000 0.765 266 A CB 1.078 19.720 19.000 -0.597 0.000 1.268 266 A HN 0.625 nan 8.150 nan 0.000 0.438 267 I N 1.409 121.982 120.570 0.005 0.000 2.512 267 I HA 0.670 4.840 4.170 -0.000 0.000 0.287 267 I C 0.475 176.730 176.117 0.231 0.000 1.069 267 I CA -0.095 61.324 61.300 0.198 0.000 1.056 267 I CB 2.292 40.373 38.000 0.135 0.000 1.229 267 I HN 0.988 nan 8.210 nan 0.000 0.429 268 G N 6.182 115.242 108.800 0.433 0.000 2.364 268 G HA2 0.678 4.638 3.960 -0.000 0.000 0.286 268 G HA3 0.678 4.638 3.960 -0.000 0.000 0.286 268 G C -1.527 173.500 174.900 0.212 0.000 1.241 268 G CA -0.639 44.678 45.100 0.362 0.000 0.887 268 G HN 0.587 nan 8.290 nan 0.000 0.484 269 M N -1.908 117.819 119.600 0.211 0.000 2.790 269 M HA 0.584 5.064 4.480 -0.000 0.000 0.272 269 M C -3.329 173.020 176.300 0.081 0.000 1.168 269 M CA -1.785 53.541 55.300 0.044 0.000 0.829 269 M CB 2.209 34.847 32.600 0.064 0.000 1.675 269 M HN 0.361 nan 8.290 nan 0.000 0.505 270 P HA 0.488 nan 4.420 nan 0.000 0.292 270 P C -0.535 176.844 177.300 0.132 0.000 1.287 270 P CA -0.151 62.964 63.100 0.025 0.000 0.800 270 P CB 1.348 32.919 31.700 -0.216 0.000 0.945 271 T N 0.297 115.000 114.554 0.248 0.000 3.123 271 T HA 0.154 4.504 4.350 -0.000 0.000 0.259 271 T C 0.461 175.365 174.700 0.339 0.000 0.871 271 T CA -0.086 62.190 62.100 0.293 0.000 0.857 271 T CB 0.076 69.165 68.868 0.369 0.000 1.267 271 T HN 0.164 nan 8.240 nan 0.000 0.556 272 L N 2.811 124.224 121.223 0.317 0.000 2.255 272 L HA 0.486 4.825 4.340 -0.000 0.000 0.289 272 L C -0.148 176.852 176.870 0.217 0.000 1.046 272 L CA -0.576 54.408 54.840 0.240 0.000 0.816 272 L CB 1.169 43.372 42.059 0.241 0.000 1.197 272 L HN 0.055 nan 8.230 nan 0.000 0.427 273 K N 3.646 124.156 120.400 0.182 0.000 2.211 273 K HA 0.213 4.533 4.320 -0.000 0.000 0.275 273 K C 1.072 177.726 176.600 0.091 0.000 1.024 273 K CA -0.721 55.659 56.287 0.156 0.000 0.887 273 K CB 1.142 33.730 32.500 0.146 0.000 1.084 273 K HN 0.471 nan 8.250 nan 0.000 0.463 274 R N 2.865 123.393 120.500 0.048 0.000 2.119 274 R HA -0.142 4.198 4.340 -0.000 0.000 0.246 274 R C 1.379 177.610 176.300 -0.115 0.000 1.146 274 R CA 2.106 58.145 56.100 -0.100 0.000 0.962 274 R CB -0.721 29.468 30.300 -0.186 0.000 0.863 274 R HN 0.903 nan 8.270 nan 0.000 0.442 275 G N 0.557 109.342 108.800 -0.024 0.000 3.124 275 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.212 275 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.212 275 G C 0.085 175.004 174.900 0.032 0.000 1.181 275 G CA -0.358 44.736 45.100 -0.011 0.000 0.803 275 G HN 0.222 nan 8.290 nan 0.000 0.529 276 D N 0.797 121.227 120.400 0.051 0.000 2.458 276 D HA 0.066 4.706 4.640 -0.000 0.000 0.243 276 D C -1.094 175.269 176.300 0.105 0.000 1.146 276 D CA -1.373 52.680 54.000 0.087 0.000 0.877 276 D CB 1.892 42.746 40.800 0.089 0.000 1.176 276 D HN 0.001 nan 8.370 nan 0.000 0.461 277 P HA -0.091 nan 4.420 nan 0.000 0.218 277 P C 0.323 177.697 177.300 0.124 0.000 1.148 277 P CA 0.822 63.993 63.100 0.119 0.000 0.822 277 P CB 0.282 32.037 31.700 0.091 0.000 0.784 278 D N -2.010 118.427 120.400 0.061 0.000 2.352 278 D HA -0.037 4.603 4.640 -0.000 0.000 0.232 278 D C 1.380 177.599 176.300 -0.135 0.000 1.055 278 D CA 0.047 54.023 54.000 -0.040 0.000 0.891 278 D CB -0.846 39.879 40.800 -0.126 0.000 0.897 278 D HN 0.166 nan 8.370 nan 0.000 0.529 279 F N 0.755 120.597 119.950 -0.180 0.000 2.027 279 F HA -0.329 4.198 4.527 -0.000 0.000 0.297 279 F C 1.764 177.376 175.800 -0.313 0.000 1.129 279 F CA 1.722 59.545 58.000 -0.295 0.000 1.195 279 F CB -0.272 38.559 39.000 -0.281 0.000 0.960 279 F HN -0.123 nan 8.300 nan 0.000 0.485 280 F N 0.290 120.152 119.950 -0.145 0.000 2.084 280 F HA -0.073 4.454 4.527 -0.000 0.000 0.296 280 F C -0.381 175.276 175.800 -0.239 0.000 1.111 280 F CA 1.501 59.350 58.000 -0.253 0.000 1.224 280 F CB -2.352 36.573 39.000 -0.126 0.000 0.991 280 F HN 0.005 nan 8.300 nan 0.000 0.471 281 P HA -0.198 nan 4.420 nan 0.000 0.216 281 P C 1.900 179.193 177.300 -0.011 0.000 1.153 281 P CA 1.586 64.695 63.100 0.015 0.000 0.858 281 P CB -0.086 31.628 31.700 0.024 0.000 0.789 282 L N -1.385 119.695 121.223 -0.238 0.000 1.976 282 L HA -0.157 4.182 4.340 -0.000 0.000 0.209 282 L C 2.445 179.143 176.870 -0.287 0.000 1.071 282 L CA 1.457 56.017 54.840 -0.467 0.000 0.746 282 L CB -1.222 40.121 42.059 -1.193 0.000 0.890 282 L HN -0.142 nan 8.230 nan 0.000 0.432 283 V N -0.477 119.161 119.914 -0.460 0.000 2.255 283 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 283 V C 2.434 178.539 176.094 0.019 0.000 1.051 283 V CA 1.846 63.991 62.300 -0.258 0.000 1.018 283 V CB -0.375 31.124 31.823 -0.539 0.000 0.641 283 V HN 0.205 nan 8.190 nan 0.000 0.445 284 V N 0.818 120.732 119.914 -0.000 0.000 2.287 284 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 284 V C 2.641 178.841 176.094 0.178 0.000 1.053 284 V CA 2.343 64.684 62.300 0.069 0.000 1.027 284 V CB -1.536 30.300 31.823 0.020 0.000 0.646 284 V HN 0.629 nan 8.190 nan 0.000 0.447 285 G N -0.511 108.435 108.800 0.243 0.000 2.422 285 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.218 285 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.218 285 G C 1.479 176.605 174.900 0.377 0.000 1.146 285 G CA 0.933 46.248 45.100 0.358 0.000 0.769 285 G HN 0.572 nan 8.290 nan 0.000 0.547 286 N N -0.681 118.303 118.700 0.474 0.000 2.309 286 N HA -0.147 4.593 4.740 -0.000 0.000 0.182 286 N C 1.922 177.556 175.510 0.206 0.000 1.018 286 N CA 0.699 54.012 53.050 0.438 0.000 0.876 286 N CB -0.157 38.740 38.487 0.682 0.000 0.972 286 N HN 0.393 nan 8.380 nan 0.000 0.434 287 Y N 1.624 121.983 120.300 0.098 0.000 2.151 287 Y HA -0.244 4.306 4.550 -0.000 0.000 0.284 287 Y C 2.323 178.224 175.900 0.001 0.000 1.166 287 Y CA 2.019 60.142 58.100 0.038 0.000 1.163 287 Y CB -0.558 37.932 38.460 0.050 0.000 0.974 287 Y HN 0.151 nan 8.280 nan 0.000 0.511 288 A N -0.378 122.584 122.820 0.236 0.000 1.929 288 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 288 A C 2.141 179.670 177.584 -0.093 0.000 1.176 288 A CA 1.502 53.615 52.037 0.127 0.000 0.628 288 A CB -1.038 18.104 19.000 0.237 0.000 0.816 288 A HN 0.535 nan 8.150 nan 0.000 0.444 289 L N -1.071 119.972 121.223 -0.300 0.000 2.005 289 L HA 0.176 4.516 4.340 -0.000 0.000 0.207 289 L C 1.648 178.364 176.870 -0.256 0.000 1.072 289 L CA 2.518 57.060 54.840 -0.496 0.000 0.744 289 L CB -0.301 41.240 42.059 -0.864 0.000 0.895 289 L HN 0.362 nan 8.230 nan 0.000 0.433 290 G N -2.775 105.906 108.800 -0.198 0.000 5.068 290 G HA2 0.218 4.178 3.960 -0.000 0.000 0.218 290 G HA3 0.218 4.178 3.960 -0.000 0.000 0.218 290 G C 0.729 175.492 174.900 -0.227 0.000 0.891 290 G CA 0.132 45.116 45.100 -0.193 0.000 0.776 290 G HN 0.526 nan 8.290 nan 0.000 0.284 291 G N -0.002 108.656 108.800 -0.237 0.000 3.126 291 G HA2 0.400 4.360 3.960 -0.000 0.000 0.224 291 G HA3 0.400 4.360 3.960 -0.000 0.000 0.224 291 G C 1.006 175.648 174.900 -0.431 0.000 1.142 291 G CA 0.731 45.678 45.100 -0.255 0.000 0.759 291 G HN 0.662 nan 8.290 nan 0.000 0.550 292 G N 0.086 108.457 108.800 -0.714 0.000 3.820 292 G HA2 0.488 4.448 3.960 -0.000 0.000 0.293 292 G HA3 0.488 4.448 3.960 -0.000 0.000 0.293 292 G C 1.028 175.572 174.900 -0.594 0.000 1.152 292 G CA 0.451 44.823 45.100 -1.212 0.000 0.921 292 G HN 0.848 nan 8.290 nan 0.000 0.544 293 G N 0.782 109.326 108.800 -0.427 0.000 2.594 293 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.297 293 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.297 293 G C 0.811 175.521 174.900 -0.316 0.000 1.273 293 G CA 0.396 45.235 45.100 -0.434 0.000 0.974 293 G HN 0.278 nan 8.290 nan 0.000 0.552 294 F N 1.642 121.522 119.950 -0.118 0.000 2.449 294 F HA 0.102 4.629 4.527 -0.000 0.000 0.299 294 F C 2.190 177.935 175.800 -0.091 0.000 1.092 294 F CA 1.596 59.538 58.000 -0.097 0.000 1.446 294 F CB -0.046 38.915 39.000 -0.065 0.000 1.084 294 F HN 0.212 nan 8.300 nan 0.000 0.567 295 E N 0.541 120.757 120.200 0.026 0.000 2.434 295 E HA 0.175 4.525 4.350 -0.000 0.000 0.243 295 E C 0.198 176.745 176.600 -0.087 0.000 1.250 295 E CA -0.052 56.352 56.400 0.006 0.000 1.568 295 E CB -0.187 29.553 29.700 0.066 0.000 1.435 295 E HN 0.255 nan 8.360 nan 0.000 0.432 296 S N -1.332 114.305 115.700 -0.105 0.000 2.634 296 S HA 0.508 4.978 4.470 -0.000 0.000 0.296 296 S C 0.901 175.451 174.600 -0.083 0.000 1.104 296 S CA -0.854 57.265 58.200 -0.134 0.000 0.920 296 S CB 2.562 65.632 63.200 -0.216 0.000 1.111 296 S HN 0.038 nan 8.310 nan 0.000 0.493 297 R N 0.013 120.463 120.500 -0.084 0.000 2.066 297 R HA 0.063 4.403 4.340 -0.000 0.000 0.232 297 R C 1.929 178.173 176.300 -0.094 0.000 1.131 297 R CA 1.560 57.622 56.100 -0.064 0.000 0.955 297 R CB -0.860 29.413 30.300 -0.045 0.000 0.851 297 R HN 0.639 nan 8.270 nan 0.000 0.432 298 L N 0.147 121.291 121.223 -0.133 0.000 2.083 298 L HA -0.213 4.127 4.340 -0.000 0.000 0.209 298 L C 2.688 179.452 176.870 -0.177 0.000 1.083 298 L CA 0.986 55.724 54.840 -0.170 0.000 0.752 298 L CB -0.319 41.625 42.059 -0.192 0.000 0.899 298 L HN 0.253 nan 8.230 nan 0.000 0.433 299 M N -0.111 119.408 119.600 -0.136 0.000 2.059 299 M HA -0.217 4.262 4.480 -0.000 0.000 0.259 299 M C 2.292 178.553 176.300 -0.065 0.000 1.072 299 M CA 1.885 57.132 55.300 -0.088 0.000 1.117 299 M CB -0.736 31.849 32.600 -0.025 0.000 1.320 299 M HN 0.154 nan 8.290 nan 0.000 0.408 300 K N -0.407 119.963 120.400 -0.049 0.000 2.147 300 K HA -0.142 4.178 4.320 -0.000 0.000 0.205 300 K C 1.742 178.306 176.600 -0.060 0.000 1.049 300 K CA 0.829 57.092 56.287 -0.040 0.000 0.936 300 K CB -0.040 32.445 32.500 -0.024 0.000 0.722 300 K HN 0.325 nan 8.250 nan 0.000 0.446 301 E N 0.236 120.387 120.200 -0.081 0.000 2.299 301 E HA -0.011 4.339 4.350 -0.000 0.000 0.193 301 E C 1.827 178.355 176.600 -0.119 0.000 0.998 301 E CA 0.789 57.135 56.400 -0.089 0.000 0.851 301 E CB 0.291 29.937 29.700 -0.091 0.000 0.795 301 E HN 0.372 nan 8.360 nan 0.000 0.492 302 I N -0.767 119.710 120.570 -0.154 0.000 3.443 302 I HA -0.000 4.170 4.170 -0.000 0.000 0.277 302 I C 2.420 178.460 176.117 -0.129 0.000 1.169 302 I CA -0.205 60.980 61.300 -0.191 0.000 1.419 302 I CB 0.172 37.962 38.000 -0.352 0.000 1.331 302 I HN -0.122 nan 8.210 nan 0.000 0.458 303 R N 1.541 121.979 120.500 -0.104 0.000 2.065 303 R HA -0.096 4.244 4.340 -0.000 0.000 0.224 303 R C 1.699 177.967 176.300 -0.053 0.000 1.161 303 R CA 2.025 58.092 56.100 -0.056 0.000 0.923 303 R CB -0.504 29.783 30.300 -0.022 0.000 0.822 303 R HN 0.188 nan 8.270 nan 0.000 0.437 304 D N 0.298 120.663 120.400 -0.058 0.000 2.084 304 D HA -0.094 4.546 4.640 -0.000 0.000 0.196 304 D C 1.996 178.265 176.300 -0.052 0.000 0.985 304 D CA 1.400 55.362 54.000 -0.062 0.000 0.826 304 D CB 0.008 40.771 40.800 -0.062 0.000 0.978 304 D HN 0.143 nan 8.370 nan 0.000 0.456 305 K N -0.253 120.116 120.400 -0.052 0.000 2.007 305 K HA 0.033 4.353 4.320 -0.000 0.000 0.206 305 K C 2.009 178.583 176.600 -0.043 0.000 1.047 305 K CA 0.930 57.190 56.287 -0.045 0.000 0.937 305 K CB 0.247 32.720 32.500 -0.045 0.000 0.718 305 K HN 0.040 nan 8.250 nan 0.000 0.438 306 R N -1.470 119.000 120.500 -0.050 0.000 2.195 306 R HA 0.147 4.487 4.340 -0.000 0.000 0.197 306 R C 1.084 177.363 176.300 -0.035 0.000 0.990 306 R CA 0.892 56.966 56.100 -0.043 0.000 1.048 306 R CB 0.336 30.605 30.300 -0.051 0.000 0.997 306 R HN 0.368 nan 8.270 nan 0.000 0.502 307 G N 2.060 110.837 108.800 -0.039 0.000 2.160 307 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.244 307 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.244 307 G C 0.665 175.557 174.900 -0.013 0.000 1.022 307 G CA 0.335 45.422 45.100 -0.022 0.000 0.741 307 G HN 0.248 nan 8.290 nan 0.000 0.508 308 L N -0.513 120.690 121.223 -0.033 0.000 2.240 308 L HA 0.280 4.620 4.340 -0.000 0.000 0.211 308 L C 1.559 178.432 176.870 0.005 0.000 1.106 308 L CA 1.369 56.196 54.840 -0.022 0.000 0.793 308 L CB 0.043 42.071 42.059 -0.052 0.000 0.927 308 L HN 0.421 nan 8.230 nan 0.000 0.446 309 S N -2.457 113.241 115.700 -0.004 0.000 2.569 309 S HA 0.228 4.698 4.470 -0.000 0.000 0.280 309 S C 0.060 174.718 174.600 0.098 0.000 1.111 309 S CA -0.682 57.548 58.200 0.050 0.000 0.887 309 S CB 1.248 64.466 63.200 0.031 0.000 1.095 309 S HN 0.177 nan 8.310 nan 0.000 0.476 310 Y N 3.155 123.464 120.300 0.014 0.000 2.571 310 Y HA 0.409 4.959 4.550 0.000 0.000 0.294 310 Y C 0.670 176.618 175.900 0.079 0.000 1.141 310 Y CA 0.951 59.077 58.100 0.044 0.000 1.308 310 Y CB -0.253 38.235 38.460 0.046 0.000 1.002 310 Y HN 0.852 nan 8.280 nan 0.000 0.551 311 G N -0.334 108.438 108.800 -0.047 0.000 2.476 311 G HA2 0.539 4.499 3.960 -0.000 0.000 0.309 311 G HA3 0.539 4.499 3.960 -0.000 0.000 0.309 311 G C -2.007 172.773 174.900 -0.201 0.000 1.575 311 G CA -0.309 44.721 45.100 -0.117 0.000 0.913 311 G HN 0.447 nan 8.290 nan 0.000 0.623 312 A N 1.204 123.855 122.820 -0.282 0.000 2.386 312 A HA 1.042 5.362 4.320 -0.000 0.000 0.311 312 A C -0.890 176.444 177.584 -0.416 0.000 1.068 312 A CA -0.868 50.874 52.037 -0.492 0.000 0.743 312 A CB 1.204 19.957 19.000 -0.411 0.000 1.258 312 A HN 1.741 nan 8.150 nan 0.000 0.429 313 Y N -0.704 119.533 120.300 -0.105 0.000 2.644 313 Y HA 0.809 5.359 4.550 -0.000 0.000 0.338 313 Y C -0.006 175.743 175.900 -0.251 0.000 1.119 313 Y CA -0.899 57.055 58.100 -0.243 0.000 1.060 313 Y CB 1.498 39.750 38.460 -0.347 0.000 1.294 313 Y HN 0.801 nan 8.280 nan 0.000 0.472 314 S N -0.241 115.361 115.700 -0.162 0.000 2.548 314 S HA 0.718 5.188 4.470 -0.000 0.000 0.276 314 S C -2.000 172.421 174.600 -0.298 0.000 1.129 314 S CA -0.747 57.315 58.200 -0.230 0.000 0.931 314 S CB 1.259 64.379 63.200 -0.133 0.000 1.068 314 S HN 0.599 nan 8.310 nan 0.000 0.480 315 Y N 0.833 120.962 120.300 -0.285 0.000 2.462 315 Y HA 0.671 5.221 4.550 -0.000 0.000 0.346 315 Y C -1.060 174.709 175.900 -0.218 0.000 0.976 315 Y CA -1.170 56.835 58.100 -0.159 0.000 1.044 315 Y CB 1.762 40.131 38.460 -0.152 0.000 1.230 315 Y HN 0.752 nan 8.280 nan 0.000 0.455 316 F N 1.507 121.619 119.950 0.271 0.000 2.403 316 F HA 0.402 4.929 4.527 -0.000 0.000 0.355 316 F C -0.169 175.727 175.800 0.161 0.000 1.119 316 F CA -0.731 57.396 58.000 0.211 0.000 1.007 316 F CB 1.574 40.637 39.000 0.104 0.000 1.194 316 F HN 0.270 nan 8.300 nan 0.000 0.443 317 S N 5.505 121.379 115.700 0.290 0.000 2.512 317 S HA 0.384 4.854 4.470 -0.000 0.000 0.291 317 S C -2.671 172.033 174.600 0.174 0.000 1.151 317 S CA -1.385 56.917 58.200 0.169 0.000 1.120 317 S CB 0.352 63.587 63.200 0.058 0.000 1.029 317 S HN 0.205 nan 8.310 nan 0.000 0.485 318 P HA 0.395 nan 4.420 nan 0.000 0.275 318 P C -0.420 176.872 177.300 -0.015 0.000 1.227 318 P CA -0.270 62.884 63.100 0.089 0.000 0.781 318 P CB 0.591 32.321 31.700 0.049 0.000 0.906 319 Q N 0.543 120.404 119.800 0.102 0.000 2.565 319 Q HA 0.271 4.611 4.340 -0.000 0.000 0.294 319 Q C 0.972 177.195 176.000 0.372 0.000 1.005 319 Q CA -0.871 55.089 55.803 0.263 0.000 0.771 319 Q CB 1.628 30.543 28.738 0.296 0.000 1.486 319 Q HN 0.143 nan 8.270 nan 0.000 0.422 320 K N -0.042 120.688 120.400 0.550 0.000 2.089 320 K HA -0.120 4.199 4.320 -0.000 0.000 0.210 320 K C 0.938 177.696 176.600 0.262 0.000 1.048 320 K CA 1.365 57.867 56.287 0.359 0.000 0.926 320 K CB -0.127 32.534 32.500 0.267 0.000 0.714 320 K HN 0.341 nan 8.250 nan 0.000 0.448 321 S N -0.382 115.513 115.700 0.325 0.000 2.758 321 S HA 0.343 4.813 4.470 -0.000 0.000 0.292 321 S C -0.029 174.788 174.600 0.360 0.000 1.131 321 S CA -0.771 57.562 58.200 0.222 0.000 0.997 321 S CB 0.691 63.861 63.200 -0.051 0.000 1.111 321 S HN 0.056 nan 8.310 nan 0.000 0.552 322 M N 3.141 122.908 119.600 0.278 0.000 2.435 322 M HA 0.182 4.662 4.480 -0.000 0.000 0.338 322 M C 0.819 177.408 176.300 0.482 0.000 1.628 322 M CA -0.184 55.303 55.300 0.312 0.000 1.215 322 M CB -0.804 31.920 32.600 0.207 0.000 1.905 322 M HN 0.728 nan 8.290 nan 0.000 0.457 323 G N 2.897 111.946 108.800 0.415 0.000 2.580 323 G HA2 0.482 4.442 3.960 -0.000 0.000 0.278 323 G HA3 0.482 4.442 3.960 -0.000 0.000 0.278 323 G C -0.502 174.616 174.900 0.363 0.000 1.212 323 G CA -0.791 44.540 45.100 0.385 0.000 0.939 323 G HN 0.480 nan 8.290 nan 0.000 0.513 324 L N -0.139 121.279 121.223 0.324 0.000 2.426 324 L HA 0.389 4.729 4.340 -0.000 0.000 0.271 324 L C -0.071 176.938 176.870 0.233 0.000 1.169 324 L CA -0.567 54.435 54.840 0.269 0.000 0.836 324 L CB 0.856 43.062 42.059 0.246 0.000 1.112 324 L HN 0.396 nan 8.230 nan 0.000 0.465 325 F N 3.938 123.915 119.950 0.044 0.000 2.422 325 F HA 0.602 5.129 4.527 -0.000 0.000 0.333 325 F C -0.278 175.491 175.800 -0.052 0.000 1.095 325 F CA -0.324 57.553 58.000 -0.204 0.000 1.038 325 F CB 1.021 39.800 39.000 -0.368 0.000 1.156 325 F HN 0.620 nan 8.300 nan 0.000 0.483 326 Q N 5.794 124.892 119.800 -1.169 0.000 2.386 326 Q HA 0.535 4.875 4.340 -0.000 0.000 0.274 326 Q C -2.115 173.438 176.000 -0.745 0.000 1.011 326 Q CA -0.930 54.431 55.803 -0.737 0.000 0.867 326 Q CB 2.101 30.614 28.738 -0.375 0.000 1.409 326 Q HN 0.733 nan 8.270 nan 0.000 0.395 327 I N 1.279 121.587 120.570 -0.438 0.000 2.412 327 I HA 0.768 4.938 4.170 -0.000 0.000 0.296 327 I C 0.127 176.177 176.117 -0.111 0.000 0.987 327 I CA -0.796 60.384 61.300 -0.200 0.000 1.180 327 I CB 1.999 39.966 38.000 -0.056 0.000 1.340 327 I HN 0.811 nan 8.210 nan 0.000 0.455 328 G N 5.442 114.194 108.800 -0.080 0.000 2.620 328 G HA2 0.837 4.797 3.960 -0.000 0.000 0.301 328 G HA3 0.837 4.797 3.960 -0.000 0.000 0.301 328 G C -1.322 173.292 174.900 -0.476 0.000 1.347 328 G CA -0.455 44.537 45.100 -0.180 0.000 0.971 328 G HN 0.624 nan 8.290 nan 0.000 0.488 329 F N -1.004 118.700 119.950 -0.410 0.000 2.890 329 F HA 0.650 5.177 4.527 -0.000 0.000 0.326 329 F C -1.450 174.218 175.800 -0.220 0.000 1.143 329 F CA -1.323 56.437 58.000 -0.399 0.000 0.906 329 F CB 1.271 40.039 39.000 -0.387 0.000 1.303 329 F HN 0.592 nan 8.300 nan 0.000 0.447 330 E N 1.107 121.290 120.200 -0.029 0.000 2.275 330 E HA 0.573 4.923 4.350 -0.000 0.000 0.270 330 E C -1.475 175.129 176.600 0.006 0.000 0.882 330 E CA -0.708 55.586 56.400 -0.176 0.000 0.758 330 E CB 2.387 31.750 29.700 -0.563 0.000 1.195 330 E HN 0.932 nan 8.360 nan 0.000 0.419 331 T N -0.300 114.268 114.554 0.024 0.000 2.901 331 T HA 0.548 4.898 4.350 -0.000 0.000 0.293 331 T C 0.089 174.803 174.700 0.022 0.000 1.084 331 T CA -1.050 61.087 62.100 0.060 0.000 1.008 331 T CB 1.359 70.302 68.868 0.124 0.000 1.170 331 T HN 0.425 nan 8.240 nan 0.000 0.509 332 R N 0.687 121.201 120.500 0.024 0.000 2.505 332 R HA 0.187 4.527 4.340 -0.000 0.000 0.274 332 R C 1.838 178.151 176.300 0.023 0.000 0.955 332 R CA 0.459 56.570 56.100 0.018 0.000 1.109 332 R CB 0.009 30.319 30.300 0.017 0.000 0.890 332 R HN 0.872 nan 8.270 nan 0.000 0.415 333 A N 3.349 126.182 122.820 0.021 0.000 1.903 333 A HA -0.288 4.032 4.320 -0.000 0.000 0.219 333 A C 2.008 179.605 177.584 0.022 0.000 1.191 333 A CA 1.907 53.958 52.037 0.023 0.000 0.638 333 A CB -0.497 18.516 19.000 0.022 0.000 0.823 333 A HN 0.923 nan 8.150 nan 0.000 0.451 334 E N 0.028 120.239 120.200 0.019 0.000 2.058 334 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 334 E C 0.852 177.465 176.600 0.021 0.000 0.997 334 E CA 1.362 57.773 56.400 0.017 0.000 0.801 334 E CB -0.120 29.588 29.700 0.013 0.000 0.746 334 E HN 0.587 nan 8.360 nan 0.000 0.450 335 K N -0.175 120.240 120.400 0.024 0.000 2.827 335 K HA 0.221 4.541 4.320 -0.000 0.000 0.222 335 K C 0.919 177.547 176.600 0.046 0.000 1.114 335 K CA 0.053 56.356 56.287 0.028 0.000 1.206 335 K CB 0.787 33.299 32.500 0.020 0.000 1.035 335 K HN 0.086 nan 8.250 nan 0.000 0.464 336 A N 1.018 123.868 122.820 0.049 0.000 1.897 336 A HA -0.142 4.178 4.320 -0.000 0.000 0.215 336 A C 1.459 179.090 177.584 0.079 0.000 1.181 336 A CA 1.356 53.434 52.037 0.069 0.000 0.620 336 A CB -0.053 18.974 19.000 0.045 0.000 0.821 336 A HN 0.203 nan 8.150 nan 0.000 0.443 337 D N -0.373 120.059 120.400 0.054 0.000 2.084 337 D HA -0.160 4.480 4.640 -0.000 0.000 0.194 337 D C 1.858 178.189 176.300 0.052 0.000 0.990 337 D CA 1.475 55.505 54.000 0.050 0.000 0.826 337 D CB -0.465 40.355 40.800 0.034 0.000 0.971 337 D HN 0.653 nan 8.370 nan 0.000 0.453 338 E N 0.220 120.443 120.200 0.038 0.000 2.130 338 E HA -0.222 4.128 4.350 -0.000 0.000 0.196 338 E C 1.878 178.491 176.600 0.021 0.000 0.998 338 E CA 1.103 57.516 56.400 0.022 0.000 0.806 338 E CB 0.012 29.718 29.700 0.010 0.000 0.738 338 E HN 0.211 nan 8.360 nan 0.000 0.459 339 A N 0.196 123.050 122.820 0.058 0.000 1.898 339 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 339 A C 2.361 180.025 177.584 0.133 0.000 1.181 339 A CA 1.261 53.339 52.037 0.069 0.000 0.620 339 A CB -0.459 18.684 19.000 0.239 0.000 0.819 339 A HN 0.201 nan 8.150 nan 0.000 0.442 340 V N -0.073 119.976 119.914 0.225 0.000 2.358 340 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 340 V C 2.705 178.868 176.094 0.115 0.000 1.047 340 V CA 1.899 64.339 62.300 0.234 0.000 1.035 340 V CB -0.822 31.095 31.823 0.157 0.000 0.658 340 V HN 0.514 nan 8.190 nan 0.000 0.452 341 Q N 0.017 119.857 119.800 0.066 0.000 2.045 341 Q HA -0.191 4.148 4.340 -0.000 0.000 0.206 341 Q C 2.438 178.446 176.000 0.013 0.000 0.991 341 Q CA 2.046 57.871 55.803 0.036 0.000 0.851 341 Q CB -0.679 28.073 28.738 0.023 0.000 0.911 341 Q HN 0.564 nan 8.270 nan 0.000 0.418 342 V N 1.040 120.941 119.914 -0.021 0.000 2.332 342 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 342 V C 2.406 178.457 176.094 -0.072 0.000 1.055 342 V CA 1.798 64.063 62.300 -0.059 0.000 1.038 342 V CB -1.125 30.635 31.823 -0.105 0.000 0.651 342 V HN 0.358 nan 8.190 nan 0.000 0.450 343 A N 0.166 122.934 122.820 -0.086 0.000 1.877 343 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 343 A C 2.146 179.748 177.584 0.030 0.000 1.186 343 A CA 1.919 53.916 52.037 -0.067 0.000 0.620 343 A CB -0.645 18.362 19.000 0.011 0.000 0.822 343 A HN 0.574 nan 8.150 nan 0.000 0.443 344 N N 0.307 119.044 118.700 0.063 0.000 2.120 344 N HA -0.142 4.598 4.740 -0.000 0.000 0.188 344 N C 1.139 176.686 175.510 0.061 0.000 1.024 344 N CA 1.637 54.733 53.050 0.077 0.000 0.852 344 N CB -0.394 38.138 38.487 0.076 0.000 1.003 344 N HN 0.411 nan 8.380 nan 0.000 0.424 345 D N -0.274 120.149 120.400 0.037 0.000 2.117 345 D HA -0.106 4.534 4.640 -0.000 0.000 0.197 345 D C 2.049 178.370 176.300 0.035 0.000 0.987 345 D CA 1.385 55.404 54.000 0.031 0.000 0.829 345 D CB -0.499 40.309 40.800 0.014 0.000 0.961 345 D HN 0.404 nan 8.370 nan 0.000 0.460 346 T N -1.107 113.460 114.554 0.021 0.000 2.985 346 T HA -0.009 4.341 4.350 -0.000 0.000 0.266 346 T C 2.099 176.844 174.700 0.075 0.000 1.076 346 T CA 0.240 62.357 62.100 0.029 0.000 1.135 346 T CB -0.241 68.619 68.868 -0.014 0.000 0.890 346 T HN 0.086 nan 8.240 nan 0.000 0.480 347 L N 0.731 122.005 121.223 0.084 0.000 1.988 347 L HA -0.051 4.289 4.340 -0.000 0.000 0.207 347 L C 2.394 179.366 176.870 0.170 0.000 1.071 347 L CA 2.099 57.026 54.840 0.145 0.000 0.744 347 L CB -0.576 41.582 42.059 0.164 0.000 0.893 347 L HN 0.199 nan 8.230 nan 0.000 0.433 348 D N 0.074 120.547 120.400 0.122 0.000 2.203 348 D HA -0.206 4.434 4.640 -0.000 0.000 0.199 348 D C 2.032 178.381 176.300 0.082 0.000 0.997 348 D CA 1.466 55.525 54.000 0.097 0.000 0.863 348 D CB 0.096 40.938 40.800 0.071 0.000 0.928 348 D HN 0.479 nan 8.370 nan 0.000 0.458 349 A N -0.098 122.772 122.820 0.083 0.000 1.898 349 A HA -0.095 4.225 4.320 -0.000 0.000 0.214 349 A C 2.069 179.693 177.584 0.067 0.000 1.183 349 A CA 0.603 52.676 52.037 0.060 0.000 0.622 349 A CB -0.840 18.191 19.000 0.052 0.000 0.824 349 A HN 0.252 nan 8.150 nan 0.000 0.444 350 F N 0.648 120.572 119.950 -0.042 0.000 2.171 350 F HA -0.085 4.442 4.527 -0.000 0.000 0.300 350 F C 1.772 177.507 175.800 -0.109 0.000 1.090 350 F CA 1.492 59.435 58.000 -0.094 0.000 1.293 350 F CB -0.117 38.810 39.000 -0.122 0.000 1.013 350 F HN 0.125 nan 8.300 nan 0.000 0.486 351 L N -0.115 121.156 121.223 0.080 0.000 2.156 351 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 351 L C 2.649 179.487 176.870 -0.053 0.000 1.095 351 L CA 1.231 56.085 54.840 0.024 0.000 0.770 351 L CB -0.629 41.510 42.059 0.134 0.000 0.914 351 L HN 0.108 nan 8.230 nan 0.000 0.439 352 R N 0.495 120.969 120.500 -0.043 0.000 2.062 352 R HA -0.122 4.218 4.340 -0.000 0.000 0.226 352 R C 1.999 178.238 176.300 -0.101 0.000 1.125 352 R CA 1.428 57.497 56.100 -0.051 0.000 0.966 352 R CB 0.088 30.375 30.300 -0.021 0.000 0.861 352 R HN 0.347 nan 8.270 nan 0.000 0.433 353 E N -0.644 119.470 120.200 -0.143 0.000 2.057 353 E HA 0.168 4.518 4.350 -0.000 0.000 0.190 353 E C 0.667 177.108 176.600 -0.264 0.000 0.969 353 E CA 0.555 56.858 56.400 -0.162 0.000 0.812 353 E CB 0.156 29.781 29.700 -0.126 0.000 0.777 353 E HN 0.526 nan 8.360 nan 0.000 0.455 354 G N 1.171 109.671 108.800 -0.499 0.000 2.728 354 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.294 354 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.294 354 G C -2.782 171.761 174.900 -0.595 0.000 1.342 354 G CA -0.824 43.845 45.100 -0.718 0.000 0.866 354 G HN -0.005 nan 8.290 nan 0.000 0.534 355 P HA 0.387 nan 4.420 nan 0.000 0.275 355 P C 0.732 177.982 177.300 -0.083 0.000 1.227 355 P CA 0.428 63.456 63.100 -0.120 0.000 0.781 355 P CB 0.695 32.386 31.700 -0.015 0.000 0.906 356 T N -1.608 112.930 114.554 -0.026 0.000 2.868 356 T HA 0.095 4.445 4.350 -0.000 0.000 0.292 356 T C 0.938 175.633 174.700 -0.010 0.000 1.028 356 T CA -0.191 61.897 62.100 -0.020 0.000 1.059 356 T CB 0.513 69.380 68.868 -0.001 0.000 0.991 356 T HN 0.275 nan 8.240 nan 0.000 0.531 357 D N 1.206 121.598 120.400 -0.014 0.000 2.123 357 D HA -0.097 4.543 4.640 -0.000 0.000 0.196 357 D C 2.281 178.580 176.300 -0.001 0.000 0.992 357 D CA 1.721 55.715 54.000 -0.011 0.000 0.833 357 D CB -0.409 40.383 40.800 -0.014 0.000 0.954 357 D HN 0.743 nan 8.370 nan 0.000 0.455 358 A N 0.355 123.178 122.820 0.005 0.000 1.908 358 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 358 A C 2.063 179.664 177.584 0.028 0.000 1.181 358 A CA 1.751 53.796 52.037 0.014 0.000 0.627 358 A CB -0.630 18.380 19.000 0.017 0.000 0.818 358 A HN 0.302 nan 8.150 nan 0.000 0.445 359 E N -0.573 119.651 120.200 0.040 0.000 2.106 359 E HA -0.083 4.267 4.350 -0.000 0.000 0.192 359 E C 2.012 178.650 176.600 0.063 0.000 0.984 359 E CA 0.685 57.128 56.400 0.073 0.000 0.806 359 E CB -0.215 29.543 29.700 0.097 0.000 0.750 359 E HN 0.587 nan 8.360 nan 0.000 0.458 360 L N 1.094 122.336 121.223 0.033 0.000 2.042 360 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 360 L C 2.350 179.208 176.870 -0.020 0.000 1.076 360 L CA 1.536 56.382 54.840 0.011 0.000 0.749 360 L CB -0.209 41.847 42.059 -0.004 0.000 0.893 360 L HN 0.250 nan 8.230 nan 0.000 0.432 361 Q N -0.847 118.943 119.800 -0.016 0.000 2.167 361 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 361 Q C 2.188 178.164 176.000 -0.040 0.000 0.970 361 Q CA 1.373 57.160 55.803 -0.028 0.000 0.855 361 Q CB -0.145 28.584 28.738 -0.015 0.000 0.911 361 Q HN 0.584 nan 8.270 nan 0.000 0.438 362 A N 1.044 123.854 122.820 -0.016 0.000 2.015 362 A HA 0.005 4.325 4.320 -0.000 0.000 0.219 362 A C 2.226 179.723 177.584 -0.145 0.000 1.163 362 A CA 1.327 53.360 52.037 -0.007 0.000 0.646 362 A CB -0.410 18.638 19.000 0.081 0.000 0.806 362 A HN 0.366 nan 8.150 nan 0.000 0.448 363 A N 0.103 122.791 122.820 -0.220 0.000 1.874 363 A HA -0.056 4.264 4.320 -0.000 0.000 0.214 363 A C 2.103 179.416 177.584 -0.450 0.000 1.189 363 A CA 1.481 53.150 52.037 -0.613 0.000 0.615 363 A CB -0.350 18.489 19.000 -0.269 0.000 0.830 363 A HN 0.467 nan 8.150 nan 0.000 0.443 364 K N -0.199 120.071 120.400 -0.216 0.000 2.057 364 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 364 K C 1.548 178.077 176.600 -0.118 0.000 1.049 364 K CA 1.448 57.648 56.287 -0.144 0.000 0.931 364 K CB -0.333 32.109 32.500 -0.096 0.000 0.714 364 K HN 0.355 nan 8.250 nan 0.000 0.440 365 D N 0.717 121.055 120.400 -0.103 0.000 2.116 365 D HA -0.202 4.438 4.640 -0.000 0.000 0.193 365 D C 1.646 177.918 176.300 -0.047 0.000 0.998 365 D CA 1.032 54.999 54.000 -0.056 0.000 0.836 365 D CB -0.414 40.366 40.800 -0.033 0.000 0.951 365 D HN 0.262 nan 8.370 nan 0.000 0.449 366 N N 0.295 118.932 118.700 -0.104 0.000 2.080 366 N HA -0.099 4.641 4.740 -0.000 0.000 0.189 366 N C 2.125 177.634 175.510 -0.001 0.000 1.036 366 N CA 0.635 53.656 53.050 -0.049 0.000 0.846 366 N CB -0.069 38.371 38.487 -0.080 0.000 1.015 366 N HN 0.124 nan 8.380 nan 0.000 0.423 367 L N 1.025 122.209 121.223 -0.064 0.000 2.017 367 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 367 L C 2.472 179.434 176.870 0.153 0.000 1.073 367 L CA 0.716 55.605 54.840 0.082 0.000 0.745 367 L CB -0.444 41.641 42.059 0.043 0.000 0.894 367 L HN 0.231 nan 8.230 nan 0.000 0.432 368 I N 0.242 120.848 120.570 0.060 0.000 2.113 368 I HA -0.270 3.900 4.170 -0.000 0.000 0.238 368 I C 2.211 178.399 176.117 0.118 0.000 1.070 368 I CA 1.642 62.980 61.300 0.063 0.000 1.332 368 I CB -1.449 36.552 38.000 0.002 0.000 1.044 368 I HN 0.373 nan 8.210 nan 0.000 0.402 369 N N 0.706 119.458 118.700 0.086 0.000 2.354 369 N HA -0.038 4.702 4.740 -0.000 0.000 0.179 369 N C 1.632 177.209 175.510 0.112 0.000 1.021 369 N CA 1.129 54.231 53.050 0.087 0.000 0.887 369 N CB -0.192 38.327 38.487 0.054 0.000 0.974 369 N HN 0.399 nan 8.380 nan 0.000 0.437 370 G N -0.984 107.895 108.800 0.132 0.000 3.702 370 G HA2 0.095 4.055 3.960 -0.000 0.000 0.288 370 G HA3 0.095 4.055 3.960 -0.000 0.000 0.288 370 G C 0.599 175.603 174.900 0.174 0.000 1.193 370 G CA -0.485 44.690 45.100 0.125 0.000 0.952 370 G HN 0.179 nan 8.290 nan 0.000 0.544 371 F N 1.133 121.099 119.950 0.027 0.000 2.262 371 F HA 0.237 4.764 4.527 -0.000 0.000 0.292 371 F C 2.550 178.336 175.800 -0.023 0.000 1.081 371 F CA 0.918 58.914 58.000 -0.006 0.000 1.355 371 F CB 0.383 39.395 39.000 0.020 0.000 1.069 371 F HN 0.234 nan 8.300 nan 0.000 0.506 372 A N 0.295 123.100 122.820 -0.026 0.000 2.084 372 A HA -0.211 4.109 4.320 -0.000 0.000 0.221 372 A C 1.930 179.429 177.584 -0.142 0.000 1.161 372 A CA 1.514 53.483 52.037 -0.113 0.000 0.653 372 A CB -1.020 17.972 19.000 -0.012 0.000 0.802 372 A HN 0.471 nan 8.150 nan 0.000 0.457 373 L N -0.910 120.255 121.223 -0.098 0.000 2.217 373 L HA 0.002 4.342 4.340 -0.000 0.000 0.211 373 L C 2.361 179.157 176.870 -0.123 0.000 1.107 373 L CA 1.323 56.118 54.840 -0.075 0.000 0.783 373 L CB -0.281 41.766 42.059 -0.020 0.000 0.919 373 L HN 0.299 nan 8.230 nan 0.000 0.442 374 R N -1.112 119.254 120.500 -0.222 0.000 2.323 374 R HA 0.099 4.439 4.340 -0.000 0.000 0.198 374 R C 0.682 176.824 176.300 -0.263 0.000 0.988 374 R CA 0.472 56.423 56.100 -0.249 0.000 1.041 374 R CB 0.084 30.188 30.300 -0.326 0.000 0.926 374 R HN 0.342 nan 8.270 nan 0.000 0.476 375 L N -1.105 119.964 121.223 -0.256 0.000 3.184 375 L HA 0.167 4.507 4.340 -0.000 0.000 0.283 375 L C 0.559 177.357 176.870 -0.121 0.000 1.218 375 L CA -0.322 54.399 54.840 -0.198 0.000 1.028 375 L CB 0.609 42.521 42.059 -0.244 0.000 1.400 375 L HN -0.110 nan 8.230 nan 0.000 0.591 376 D N 1.565 121.905 120.400 -0.100 0.000 2.192 376 D HA -0.169 4.471 4.640 -0.000 0.000 0.189 376 D C 1.144 177.415 176.300 -0.048 0.000 1.007 376 D CA 1.926 55.889 54.000 -0.062 0.000 0.859 376 D CB 0.109 40.880 40.800 -0.050 0.000 0.936 376 D HN 0.460 nan 8.370 nan 0.000 0.447 377 S N -1.862 113.808 115.700 -0.049 0.000 2.599 377 S HA 0.356 4.826 4.470 -0.000 0.000 0.294 377 S C 0.553 175.132 174.600 -0.035 0.000 1.094 377 S CA -0.862 57.317 58.200 -0.035 0.000 0.931 377 S CB 1.764 64.947 63.200 -0.028 0.000 1.093 377 S HN 0.080 nan 8.310 nan 0.000 0.488 378 N N 0.848 119.535 118.700 -0.023 0.000 2.094 378 N HA -0.203 4.537 4.740 -0.000 0.000 0.191 378 N C 1.955 177.454 175.510 -0.019 0.000 1.023 378 N CA 1.401 54.441 53.050 -0.017 0.000 0.857 378 N CB -0.361 38.124 38.487 -0.003 0.000 1.013 378 N HN 0.773 nan 8.380 nan 0.000 0.426 379 A N 1.607 124.415 122.820 -0.019 0.000 1.898 379 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 379 A C 2.043 179.608 177.584 -0.032 0.000 1.181 379 A CA 1.217 53.242 52.037 -0.021 0.000 0.620 379 A CB -0.301 18.688 19.000 -0.018 0.000 0.819 379 A HN 0.167 nan 8.150 nan 0.000 0.442 380 K N -0.473 119.902 120.400 -0.041 0.000 2.103 380 K HA -0.105 4.215 4.320 -0.000 0.000 0.207 380 K C 1.752 178.312 176.600 -0.067 0.000 1.048 380 K CA 1.608 57.860 56.287 -0.058 0.000 0.930 380 K CB -0.350 32.107 32.500 -0.072 0.000 0.716 380 K HN 0.579 nan 8.250 nan 0.000 0.444 381 I N 0.894 121.428 120.570 -0.060 0.000 2.286 381 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 381 I C 2.347 178.439 176.117 -0.042 0.000 1.104 381 I CA 0.580 61.846 61.300 -0.058 0.000 1.397 381 I CB -0.236 37.734 38.000 -0.050 0.000 1.072 381 I HN 0.200 nan 8.210 nan 0.000 0.417 382 L N 1.221 122.426 121.223 -0.031 0.000 1.990 382 L HA -0.222 4.118 4.340 -0.000 0.000 0.213 382 L C 2.467 179.315 176.870 -0.036 0.000 1.072 382 L CA 2.595 57.422 54.840 -0.023 0.000 0.755 382 L CB -1.305 40.747 42.059 -0.012 0.000 0.889 382 L HN 0.317 nan 8.230 nan 0.000 0.432 383 G N -1.372 107.404 108.800 -0.040 0.000 2.422 383 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 383 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 383 G C 1.436 176.307 174.900 -0.049 0.000 1.146 383 G CA 0.212 45.285 45.100 -0.044 0.000 0.769 383 G HN 0.429 nan 8.290 nan 0.000 0.547 384 Q N -0.150 119.619 119.800 -0.052 0.000 2.137 384 Q HA 0.040 4.380 4.340 -0.000 0.000 0.198 384 Q C 2.952 178.915 176.000 -0.062 0.000 0.960 384 Q CA 0.712 56.485 55.803 -0.050 0.000 0.847 384 Q CB -0.108 28.597 28.738 -0.055 0.000 0.915 384 Q HN 0.434 nan 8.270 nan 0.000 0.448 385 V N 1.016 120.890 119.914 -0.067 0.000 2.379 385 V HA -0.172 3.948 4.120 -0.000 0.000 0.245 385 V C 2.379 178.356 176.094 -0.195 0.000 1.044 385 V CA 1.548 63.787 62.300 -0.102 0.000 1.036 385 V CB -0.945 30.852 31.823 -0.044 0.000 0.664 385 V HN 0.266 nan 8.190 nan 0.000 0.453 386 A N -0.217 122.522 122.820 -0.134 0.000 1.978 386 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 386 A C 2.382 179.896 177.584 -0.116 0.000 1.170 386 A CA 2.123 54.077 52.037 -0.138 0.000 0.636 386 A CB -0.585 18.363 19.000 -0.087 0.000 0.810 386 A HN 0.347 nan 8.150 nan 0.000 0.448 387 V N 0.178 120.047 119.914 -0.076 0.000 2.488 387 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 387 V C 2.437 178.508 176.094 -0.040 0.000 1.046 387 V CA 1.791 64.104 62.300 0.022 0.000 1.053 387 V CB -0.597 31.220 31.823 -0.010 0.000 0.679 387 V HN 0.784 nan 8.190 nan 0.000 0.458 388 I N -0.076 120.376 120.570 -0.197 0.000 2.676 388 I HA 0.078 4.248 4.170 -0.000 0.000 0.259 388 I C 2.093 177.997 176.117 -0.354 0.000 1.194 388 I CA 1.997 63.138 61.300 -0.265 0.000 1.473 388 I CB -0.851 37.018 38.000 -0.220 0.000 1.096 388 I HN 0.091 nan 8.210 nan 0.000 0.443 389 G N 0.004 108.470 108.800 -0.557 0.000 2.404 389 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.213 389 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.213 389 G C 1.592 176.303 174.900 -0.314 0.000 1.189 389 G CA 0.849 45.427 45.100 -0.869 0.000 0.796 389 G HN 0.506 nan 8.290 nan 0.000 0.532 390 Y N 0.515 120.637 120.300 -0.297 0.000 2.163 390 Y HA -0.041 4.509 4.550 -0.000 0.000 0.288 390 Y C 2.049 177.784 175.900 -0.274 0.000 1.136 390 Y CA 1.165 59.098 58.100 -0.279 0.000 1.147 390 Y CB -0.155 38.096 38.460 -0.348 0.000 0.987 390 Y HN 0.231 nan 8.280 nan 0.000 0.509 391 Y N 0.650 120.886 120.300 -0.106 0.000 2.465 391 Y HA 0.199 4.749 4.550 -0.000 0.000 0.311 391 Y C 1.828 177.620 175.900 -0.180 0.000 1.204 391 Y CA 0.379 58.388 58.100 -0.153 0.000 1.272 391 Y CB -0.432 37.971 38.460 -0.096 0.000 1.083 391 Y HN 0.310 nan 8.280 nan 0.000 0.508 392 G N 0.674 109.420 108.800 -0.091 0.000 2.269 392 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.277 392 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.277 392 G C 0.420 175.295 174.900 -0.041 0.000 1.008 392 G CA 0.246 45.305 45.100 -0.068 0.000 0.774 392 G HN 0.365 nan 8.290 nan 0.000 0.511 393 L N 0.097 121.278 121.223 -0.071 0.000 2.472 393 L HA 0.231 4.571 4.340 -0.000 0.000 0.273 393 L C -1.256 175.620 176.870 0.011 0.000 1.254 393 L CA -1.389 53.411 54.840 -0.066 0.000 0.823 393 L CB -0.025 41.901 42.059 -0.221 0.000 1.096 393 L HN 0.013 nan 8.230 nan 0.000 0.521 394 P HA 0.057 nan 4.420 nan 0.000 0.279 394 P C 0.468 177.864 177.300 0.159 0.000 1.239 394 P CA -0.518 62.660 63.100 0.129 0.000 0.789 394 P CB 0.613 32.414 31.700 0.168 0.000 0.933 395 L N 1.517 122.821 121.223 0.136 0.000 2.353 395 L HA -0.142 4.198 4.340 -0.000 0.000 0.220 395 L C 1.105 178.074 176.870 0.165 0.000 1.133 395 L CA 1.794 56.723 54.840 0.150 0.000 0.798 395 L CB -1.233 40.905 42.059 0.132 0.000 0.922 395 L HN 0.380 nan 8.230 nan 0.000 0.445 396 D N -0.934 119.578 120.400 0.187 0.000 2.097 396 D HA -0.241 4.398 4.640 -0.000 0.000 0.195 396 D C 1.871 178.300 176.300 0.214 0.000 0.989 396 D CA 0.853 54.971 54.000 0.197 0.000 0.827 396 D CB -0.258 40.734 40.800 0.320 0.000 0.966 396 D HN 0.204 nan 8.370 nan 0.000 0.456 397 Y N 0.755 121.149 120.300 0.157 0.000 2.182 397 Y HA -0.381 4.169 4.550 -0.000 0.000 0.253 397 Y C 2.011 178.067 175.900 0.260 0.000 1.302 397 Y CA 1.712 59.939 58.100 0.212 0.000 1.057 397 Y CB -0.590 37.972 38.460 0.169 0.000 0.863 397 Y HN 0.012 nan 8.280 nan 0.000 0.517 398 L N 0.223 121.656 121.223 0.349 0.000 2.093 398 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 398 L C 2.094 179.101 176.870 0.228 0.000 1.085 398 L CA 2.053 57.107 54.840 0.357 0.000 0.755 398 L CB -0.965 41.263 42.059 0.282 0.000 0.904 398 L HN 0.318 nan 8.230 nan 0.000 0.435 399 D N -1.505 118.916 120.400 0.036 0.000 2.117 399 D HA -0.129 4.511 4.640 -0.000 0.000 0.198 399 D C 1.488 177.640 176.300 -0.247 0.000 0.982 399 D CA 1.216 55.115 54.000 -0.168 0.000 0.828 399 D CB -0.087 40.462 40.800 -0.419 0.000 0.967 399 D HN 0.412 nan 8.370 nan 0.000 0.464 400 H N -0.982 118.086 119.070 -0.004 0.000 2.505 400 H HA 0.057 4.613 4.556 -0.000 0.000 0.289 400 H C 1.087 176.281 175.328 -0.224 0.000 1.052 400 H CA -0.302 55.686 56.048 -0.100 0.000 1.156 400 H CB -0.082 29.627 29.762 -0.089 0.000 1.507 400 H HN 0.241 nan 8.280 nan 0.000 0.548 401 Y N 1.407 121.522 120.300 -0.310 0.000 2.133 401 Y HA -0.226 4.324 4.550 -0.000 0.000 0.287 401 Y C 2.521 178.145 175.900 -0.459 0.000 1.134 401 Y CA 1.800 59.614 58.100 -0.478 0.000 1.133 401 Y CB -0.045 37.955 38.460 -0.766 0.000 0.987 401 Y HN 0.007 nan 8.280 nan 0.000 0.502 402 T N -0.176 114.219 114.554 -0.265 0.000 2.881 402 T HA -0.128 4.222 4.350 -0.000 0.000 0.270 402 T C 1.414 175.978 174.700 -0.227 0.000 1.068 402 T CA 1.614 63.580 62.100 -0.223 0.000 1.131 402 T CB -0.150 68.651 68.868 -0.111 0.000 0.871 402 T HN 0.354 nan 8.240 nan 0.000 0.479 403 E N 0.628 120.700 120.200 -0.213 0.000 2.112 403 E HA 0.101 4.451 4.350 -0.000 0.000 0.190 403 E C 2.363 178.770 176.600 -0.322 0.000 0.979 403 E CA 0.761 57.045 56.400 -0.193 0.000 0.814 403 E CB -0.067 29.573 29.700 -0.099 0.000 0.762 403 E HN 0.348 nan 8.360 nan 0.000 0.460 404 R N -0.187 119.991 120.500 -0.536 0.000 2.193 404 R HA 0.029 4.369 4.340 -0.000 0.000 0.213 404 R C 2.036 177.901 176.300 -0.725 0.000 1.055 404 R CA 0.476 56.093 56.100 -0.805 0.000 0.995 404 R CB 0.003 29.410 30.300 -1.488 0.000 0.893 404 R HN 0.042 nan 8.270 nan 0.000 0.459 405 V N 0.608 120.169 119.914 -0.588 0.000 2.358 405 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 405 V C 2.266 178.229 176.094 -0.219 0.000 1.047 405 V CA 1.752 63.859 62.300 -0.321 0.000 1.035 405 V CB -0.411 31.241 31.823 -0.285 0.000 0.658 405 V HN 0.232 nan 8.190 nan 0.000 0.452 406 Q N 0.790 120.463 119.800 -0.212 0.000 2.096 406 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 406 Q C 2.101 178.019 176.000 -0.135 0.000 0.982 406 Q CA 2.221 57.937 55.803 -0.145 0.000 0.850 406 Q CB -0.607 28.055 28.738 -0.127 0.000 0.901 406 Q HN 0.604 nan 8.270 nan 0.000 0.422 407 A N -0.454 122.262 122.820 -0.173 0.000 2.070 407 A HA 0.018 4.338 4.320 -0.000 0.000 0.220 407 A C 0.646 178.165 177.584 -0.109 0.000 1.159 407 A CA 0.652 52.602 52.037 -0.144 0.000 0.656 407 A CB -0.381 18.511 19.000 -0.180 0.000 0.800 407 A HN 0.183 nan 8.150 nan 0.000 0.453 408 V N 2.096 121.947 119.914 -0.106 0.000 2.529 408 V HA 0.262 4.382 4.120 -0.000 0.000 0.292 408 V C 0.977 177.045 176.094 -0.043 0.000 1.028 408 V CA 0.448 62.713 62.300 -0.060 0.000 1.074 408 V CB 0.277 32.077 31.823 -0.039 0.000 0.958 408 V HN 0.599 nan 8.190 nan 0.000 0.481 409 T N 1.758 116.294 114.554 -0.030 0.000 2.936 409 T HA 0.485 4.835 4.350 -0.000 0.000 0.282 409 T C 1.097 175.784 174.700 -0.021 0.000 1.003 409 T CA -0.552 61.532 62.100 -0.027 0.000 1.005 409 T CB 1.675 70.526 68.868 -0.027 0.000 1.097 409 T HN 0.130 nan 8.240 nan 0.000 0.532 410 V N 2.113 122.010 119.914 -0.028 0.000 2.220 410 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 410 V C 2.773 178.842 176.094 -0.042 0.000 1.049 410 V CA 2.551 64.828 62.300 -0.039 0.000 1.003 410 V CB -1.331 30.462 31.823 -0.049 0.000 0.634 410 V HN 1.060 nan 8.190 nan 0.000 0.444 411 E N 0.329 120.507 120.200 -0.035 0.000 2.171 411 E HA -0.316 4.034 4.350 -0.000 0.000 0.197 411 E C 2.089 178.683 176.600 -0.009 0.000 0.997 411 E CA 1.675 58.058 56.400 -0.029 0.000 0.810 411 E CB -0.433 29.253 29.700 -0.024 0.000 0.738 411 E HN 0.676 nan 8.360 nan 0.000 0.467 412 Q N 0.677 120.477 119.800 0.000 0.000 2.079 412 Q HA -0.110 4.230 4.340 -0.000 0.000 0.200 412 Q C 2.437 178.469 176.000 0.055 0.000 0.974 412 Q CA 1.597 57.413 55.803 0.022 0.000 0.840 412 Q CB 0.005 28.751 28.738 0.014 0.000 0.898 412 Q HN 0.233 nan 8.270 nan 0.000 0.430 413 V N 0.975 120.923 119.914 0.056 0.000 2.343 413 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 413 V C 2.255 178.431 176.094 0.136 0.000 1.051 413 V CA 1.632 64.010 62.300 0.130 0.000 1.036 413 V CB -0.602 31.264 31.823 0.070 0.000 0.654 413 V HN 0.309 nan 8.190 nan 0.000 0.451 414 R N 0.223 120.724 120.500 0.002 0.000 2.080 414 R HA -0.196 4.144 4.340 -0.000 0.000 0.236 414 R C 2.311 178.648 176.300 0.062 0.000 1.137 414 R CA 1.980 58.061 56.100 -0.032 0.000 0.943 414 R CB -0.489 29.769 30.300 -0.070 0.000 0.846 414 R HN 0.628 nan 8.270 nan 0.000 0.431 415 E N 0.158 120.394 120.200 0.060 0.000 2.106 415 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 415 E C 2.005 178.675 176.600 0.116 0.000 0.984 415 E CA 1.090 57.532 56.400 0.069 0.000 0.806 415 E CB -0.089 29.638 29.700 0.045 0.000 0.750 415 E HN 0.343 nan 8.360 nan 0.000 0.458 416 A N 0.687 123.597 122.820 0.149 0.000 1.858 416 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 416 A C 1.938 179.650 177.584 0.213 0.000 1.190 416 A CA 1.172 53.312 52.037 0.171 0.000 0.617 416 A CB -0.873 18.171 19.000 0.073 0.000 0.827 416 A HN 0.213 nan 8.150 nan 0.000 0.443 417 F N 0.211 120.217 119.950 0.093 0.000 2.171 417 F HA -0.140 4.387 4.527 -0.000 0.000 0.300 417 F C 2.796 178.649 175.800 0.088 0.000 1.090 417 F CA 1.114 59.184 58.000 0.116 0.000 1.293 417 F CB -0.227 38.863 39.000 0.150 0.000 1.013 417 F HN 0.274 nan 8.300 nan 0.000 0.486 418 A N -0.078 122.880 122.820 0.230 0.000 1.940 418 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 418 A C 2.258 179.879 177.584 0.061 0.000 1.176 418 A CA 1.704 53.812 52.037 0.120 0.000 0.631 418 A CB -0.612 18.433 19.000 0.075 0.000 0.814 418 A HN 0.319 nan 8.150 nan 0.000 0.446 419 R N -1.995 118.530 120.500 0.042 0.000 2.119 419 R HA -0.017 4.323 4.340 -0.000 0.000 0.222 419 R C 1.672 177.835 176.300 -0.228 0.000 1.088 419 R CA 1.234 57.276 56.100 -0.097 0.000 0.984 419 R CB -0.153 30.069 30.300 -0.130 0.000 0.884 419 R HN 0.691 nan 8.270 nan 0.000 0.447 420 H N -1.605 117.445 119.070 -0.034 0.000 2.729 420 H HA 0.191 4.747 4.556 -0.000 0.000 0.263 420 H C -0.101 175.189 175.328 -0.064 0.000 0.961 420 H CA 0.416 56.430 56.048 -0.057 0.000 1.217 420 H CB 1.153 30.837 29.762 -0.131 0.000 1.447 420 H HN -0.136 nan 8.280 nan 0.000 0.496 421 V N 3.932 123.864 119.914 0.030 0.000 2.289 421 V HA 0.168 4.288 4.120 -0.000 0.000 0.272 421 V C -0.212 175.927 176.094 0.074 0.000 1.026 421 V CA -0.778 61.521 62.300 -0.002 0.000 0.807 421 V CB 1.223 32.972 31.823 -0.123 0.000 1.044 421 V HN 0.077 nan 8.190 nan 0.000 0.443 422 K N 2.873 123.310 120.400 0.063 0.000 2.183 422 K HA 0.423 4.743 4.320 -0.000 0.000 0.274 422 K C 0.925 177.568 176.600 0.071 0.000 1.009 422 K CA -0.772 55.550 56.287 0.058 0.000 0.888 422 K CB 2.531 35.049 32.500 0.030 0.000 1.078 422 K HN 0.377 nan 8.250 nan 0.000 0.459 423 R N 2.802 123.346 120.500 0.073 0.000 2.091 423 R HA -0.173 4.167 4.340 -0.000 0.000 0.238 423 R C 0.706 177.038 176.300 0.053 0.000 1.136 423 R CA 1.977 58.122 56.100 0.074 0.000 0.959 423 R CB -0.204 30.137 30.300 0.069 0.000 0.856 423 R HN 0.660 nan 8.270 nan 0.000 0.437 424 E N -0.103 120.120 120.200 0.038 0.000 2.515 424 E HA -0.037 4.313 4.350 -0.000 0.000 0.201 424 E C 0.432 177.041 176.600 0.016 0.000 1.071 424 E CA 0.914 57.328 56.400 0.024 0.000 0.880 424 E CB -0.185 29.525 29.700 0.017 0.000 0.828 424 E HN 0.502 nan 8.360 nan 0.000 0.540 425 N N -0.008 118.706 118.700 0.022 0.000 2.159 425 N HA 0.119 4.859 4.740 -0.000 0.000 0.217 425 N C -0.378 175.137 175.510 0.008 0.000 1.223 425 N CA -0.144 52.910 53.050 0.007 0.000 0.896 425 N CB 0.903 39.394 38.487 0.006 0.000 1.064 425 N HN 0.158 nan 8.380 nan 0.000 0.518 426 L N 2.285 123.530 121.223 0.038 0.000 2.369 426 L HA 0.294 4.634 4.340 -0.000 0.000 0.279 426 L C 0.057 176.936 176.870 0.015 0.000 1.108 426 L CA 0.056 54.932 54.840 0.060 0.000 0.852 426 L CB 0.601 42.725 42.059 0.109 0.000 1.169 426 L HN -0.075 nan 8.230 nan 0.000 0.452 427 I N 3.056 123.603 120.570 -0.039 0.000 2.395 427 I HA 0.167 4.337 4.170 -0.000 0.000 0.289 427 I C 0.520 176.647 176.117 0.017 0.000 1.023 427 I CA 0.243 61.479 61.300 -0.106 0.000 1.350 427 I CB 1.630 39.412 38.000 -0.363 0.000 1.409 427 I HN 0.518 nan 8.210 nan 0.000 0.507 428 T N 5.780 120.358 114.554 0.041 0.000 2.879 428 T HA 0.647 4.997 4.350 -0.000 0.000 0.290 428 T C -1.097 173.655 174.700 0.087 0.000 0.993 428 T CA -0.532 61.634 62.100 0.109 0.000 0.975 428 T CB 1.061 69.983 68.868 0.089 0.000 0.981 428 T HN 0.221 nan 8.240 nan 0.000 0.439 429 V N 5.480 125.476 119.914 0.137 0.000 2.483 429 V HA 0.575 4.695 4.120 -0.000 0.000 0.297 429 V C -0.386 175.737 176.094 0.048 0.000 1.027 429 V CA -0.757 61.603 62.300 0.100 0.000 0.855 429 V CB 1.806 33.727 31.823 0.163 0.000 0.995 429 V HN 0.860 nan 8.190 nan 0.000 0.424 430 V N 5.617 125.544 119.914 0.022 0.000 2.417 430 V HA 0.504 4.624 4.120 -0.000 0.000 0.291 430 V C -0.276 175.825 176.094 0.013 0.000 1.024 430 V CA -0.579 61.719 62.300 -0.003 0.000 0.861 430 V CB 2.083 33.902 31.823 -0.006 0.000 0.985 430 V HN 0.605 nan 8.190 nan 0.000 0.436 431 V N 4.820 124.745 119.914 0.018 0.000 2.326 431 V HA 0.904 5.024 4.120 -0.000 0.000 0.281 431 V C 0.573 176.693 176.094 0.043 0.000 1.015 431 V CA 0.471 62.786 62.300 0.025 0.000 0.823 431 V CB 0.582 32.413 31.823 0.012 0.000 1.009 431 V HN 1.070 nan 8.190 nan 0.000 0.436 432 G N 3.095 111.914 108.800 0.032 0.000 2.791 432 G HA2 0.590 4.550 3.960 -0.000 0.000 0.158 432 G HA3 0.590 4.550 3.960 -0.000 0.000 0.158 432 G C 0.166 175.082 174.900 0.027 0.000 1.193 432 G CA 0.225 45.347 45.100 0.036 0.000 1.032 432 G HN 0.911 nan 8.290 nan 0.000 0.557 433 G N -0.245 108.569 108.800 0.024 0.000 5.129 433 G HA2 0.491 4.451 3.960 -0.000 0.000 0.253 433 G HA3 0.491 4.451 3.960 -0.000 0.000 0.253 433 G C 0.178 175.089 174.900 0.017 0.000 0.912 433 G CA 0.593 45.705 45.100 0.019 0.000 0.729 433 G HN 0.693 nan 8.290 nan 0.000 0.373 434 K N 0.000 120.411 120.400 0.019 0.000 2.780 434 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 434 K CA 0.000 56.298 56.287 0.018 0.000 0.838 434 K CB 0.000 32.509 32.500 0.015 0.000 1.064 434 K HN 0.000 nan 8.250 nan 0.000 0.543