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 1ubu_1_L DATA FIRST_RESID 19 DATA SEQUENCE SSYSGPIVVD PVTRIEGHLR IEVEVENGKV KNAYSSSTLF RGLEIILKGR DATA SEQUENCE DPRDAQHFTQ RTCGVCTYTH ALASTRCVDN AVGVHIPKNA TYIRNLVLGA DATA SEQUENCE QYLHDHIVHF YHLHALDFVD VTAALKADPA KAAKVASSIS PRKTTAADLK DATA SEQUENCE AVQDKLKTFV ETGQLGPFTN AYFLGGHPAY YLDPETNLIA TAHYLEALRL DATA SEQUENCE QVKAARAMAV FGAKNPHTQF TVVGGVTCYD ALTPQRIAEF EALWKETKAF DATA SEQUENCE VDEVYIPDLL VVAAAYKDWT QYGGTDNFIT FGEFPKDEYD LNSRFFKPGV DATA SEQUENCE VFKRDFKNIK PFDKMQIEEH VRHSWYEGAE ARHPWKGQTQ PKYTDLHGDD DATA SEQUENCE RYSWMKAPRY MGEPMETGPL AQVLIAYSQG HPKVKAVTDA VLAKLGVGPE DATA SEQUENCE ALFSTLGRTA ARGIETAVIA EYVGVMLQEY KDNIAKGDNV ICAPWEMPKQ DATA SEQUENCE AEGVGFVNAP RGGLSHWIRI EDGKIGNFQL VVPSTWTLGP RCDKNKLSPV DATA SEQUENCE EASLIGTPVA DAKRPVEILR TVHSFDPCIA CGVH 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 19 S HA 0.000 nan 4.470 nan 0.000 0.327 19 S C 0.000 174.610 174.600 0.017 0.000 1.055 19 S CA 0.000 58.204 58.200 0.006 0.000 1.107 19 S CB 0.000 63.198 63.200 -0.004 0.000 0.593 20 S N 0.646 116.362 115.700 0.027 0.000 2.687 20 S HA 0.191 4.661 4.470 0.000 0.000 0.248 20 S C -0.154 174.493 174.600 0.077 0.000 1.390 20 S CA -0.052 58.183 58.200 0.058 0.000 0.963 20 S CB -0.287 62.945 63.200 0.055 0.000 0.957 20 S HN 0.677 nan 8.310 nan 0.000 0.584 21 Y N 0.903 121.199 120.300 -0.008 0.000 2.511 21 Y HA 0.319 4.870 4.550 0.000 0.000 0.332 21 Y C -0.077 175.818 175.900 -0.008 0.000 1.177 21 Y CA 0.078 58.173 58.100 -0.008 0.000 1.422 21 Y CB 0.162 38.616 38.460 -0.010 0.000 1.271 21 Y HN 0.533 nan 8.280 nan 0.000 0.550 22 S N 3.828 119.071 115.700 -0.760 0.000 2.502 22 S HA 0.855 5.325 4.470 0.000 0.000 0.304 22 S C -0.245 173.753 174.600 -1.003 0.000 1.097 22 S CA -0.070 57.733 58.200 -0.663 0.000 1.045 22 S CB 1.344 64.355 63.200 -0.315 0.000 1.019 22 S HN 1.272 nan 8.310 nan 0.000 0.481 23 G N 3.210 111.629 108.800 -0.634 0.000 2.362 23 G HA2 0.232 4.193 3.960 0.000 0.000 0.288 23 G HA3 0.232 4.193 3.960 0.000 0.000 0.288 23 G C -3.627 171.298 174.900 0.042 0.000 1.305 23 G CA -0.843 44.065 45.100 -0.320 0.000 0.910 23 G HN 0.456 nan 8.290 nan 0.000 0.518 24 P HA 0.636 nan 4.420 nan 0.000 0.277 24 P C -0.617 176.826 177.300 0.239 0.000 1.240 24 P CA -0.229 62.969 63.100 0.164 0.000 0.798 24 P CB 1.442 33.200 31.700 0.096 0.000 0.979 25 I N 1.211 121.876 120.570 0.157 0.000 2.582 25 I HA 0.369 4.539 4.170 0.000 0.000 0.292 25 I C -0.404 175.762 176.117 0.081 0.000 1.066 25 I CA -1.178 60.175 61.300 0.087 0.000 1.053 25 I CB 2.519 40.545 38.000 0.043 0.000 1.241 25 I HN -0.007 nan 8.210 nan 0.000 0.421 26 V N 6.323 126.278 119.914 0.069 0.000 2.604 26 V HA 0.454 4.574 4.120 0.000 0.000 0.305 26 V C -0.378 175.764 176.094 0.081 0.000 1.043 26 V CA -0.683 61.666 62.300 0.082 0.000 0.888 26 V CB 2.335 34.208 31.823 0.083 0.000 0.995 26 V HN 0.415 nan 8.190 nan 0.000 0.429 27 V N 3.458 123.429 119.914 0.094 0.000 2.325 27 V HA 0.565 4.686 4.120 0.000 0.000 0.280 27 V C -0.948 175.213 176.094 0.111 0.000 1.016 27 V CA -0.259 62.104 62.300 0.104 0.000 0.818 27 V CB 1.358 33.242 31.823 0.102 0.000 1.019 27 V HN 0.926 nan 8.190 nan 0.000 0.434 28 D N 5.379 125.846 120.400 0.111 0.000 2.470 28 D HA 0.422 5.062 4.640 0.000 0.000 0.233 28 D C -2.343 174.022 176.300 0.110 0.000 1.372 28 D CA -0.637 53.435 54.000 0.120 0.000 0.994 28 D CB 2.482 43.355 40.800 0.121 0.000 1.377 28 D HN 0.417 nan 8.370 nan 0.000 0.586 29 P HA 0.306 nan 4.420 nan 0.000 0.284 29 P C -0.377 176.995 177.300 0.120 0.000 1.253 29 P CA -0.568 62.613 63.100 0.135 0.000 0.800 29 P CB 1.269 33.055 31.700 0.142 0.000 0.961 30 V N 3.377 123.366 119.914 0.124 0.000 2.415 30 V HA 0.091 4.211 4.120 0.000 0.000 0.267 30 V C 1.393 177.566 176.094 0.132 0.000 1.042 30 V CA 0.082 62.448 62.300 0.109 0.000 1.000 30 V CB -0.177 31.700 31.823 0.090 0.000 1.015 30 V HN 0.870 nan 8.190 nan 0.000 0.478 31 T N 2.488 117.122 114.554 0.133 0.000 2.810 31 T HA 0.491 4.841 4.350 0.000 0.000 0.277 31 T C 0.602 175.432 174.700 0.218 0.000 0.973 31 T CA -0.755 61.422 62.100 0.127 0.000 0.949 31 T CB 0.443 69.348 68.868 0.062 0.000 1.075 31 T HN 0.612 nan 8.240 nan 0.000 0.537 32 R N -0.051 120.510 120.500 0.101 0.000 3.416 32 R HA -0.138 4.202 4.340 0.000 0.000 0.263 32 R C -0.086 176.242 176.300 0.046 0.000 1.053 32 R CA 0.828 56.931 56.100 0.004 0.000 0.705 32 R CB -2.153 28.045 30.300 -0.171 0.000 1.124 32 R HN 0.786 nan 8.270 nan 0.000 0.444 33 I N -4.627 116.021 120.570 0.131 0.000 3.264 33 I HA 0.557 4.727 4.170 0.000 0.000 0.315 33 I C -0.134 176.035 176.117 0.086 0.000 1.154 33 I CA -1.235 60.157 61.300 0.153 0.000 0.962 33 I CB 1.970 40.089 38.000 0.198 0.000 1.265 33 I HN -0.215 nan 8.210 nan 0.000 0.463 34 E N 1.756 122.010 120.200 0.090 0.000 2.283 34 E HA 0.559 4.909 4.350 0.000 0.000 0.278 34 E C 0.149 176.754 176.600 0.009 0.000 1.027 34 E CA 0.978 57.404 56.400 0.044 0.000 0.843 34 E CB 1.244 30.987 29.700 0.072 0.000 1.062 34 E HN 1.045 nan 8.360 nan 0.000 0.401 35 G N 3.676 112.411 108.800 -0.108 0.000 2.725 35 G HA2 -0.224 3.736 3.960 0.000 0.000 0.220 35 G HA3 -0.224 3.736 3.960 0.000 0.000 0.220 35 G C -1.006 173.729 174.900 -0.274 0.000 1.357 35 G CA -0.231 44.738 45.100 -0.218 0.000 0.866 35 G HN 0.759 nan 8.290 nan 0.000 0.548 36 H N -0.504 118.640 119.070 0.124 0.000 2.673 36 H HA 0.640 5.196 4.556 0.000 0.000 0.293 36 H C 0.229 175.654 175.328 0.162 0.000 1.065 36 H CA -0.602 55.526 56.048 0.134 0.000 1.236 36 H CB 1.153 30.993 29.762 0.129 0.000 1.389 36 H HN 0.467 nan 8.280 nan 0.000 0.481 37 L N 3.370 124.733 121.223 0.233 0.000 2.362 37 L HA 0.515 4.855 4.340 0.000 0.000 0.275 37 L C -0.577 176.406 176.870 0.188 0.000 0.998 37 L CA -0.885 54.075 54.840 0.201 0.000 0.820 37 L CB 1.679 43.832 42.059 0.156 0.000 1.270 37 L HN 0.557 nan 8.230 nan 0.000 0.415 38 R N 5.448 126.062 120.500 0.191 0.000 2.343 38 R HA 0.516 4.856 4.340 0.000 0.000 0.320 38 R C -1.394 174.998 176.300 0.153 0.000 0.956 38 R CA -0.684 55.518 56.100 0.170 0.000 0.836 38 R CB 1.280 31.691 30.300 0.185 0.000 1.151 38 R HN 0.480 nan 8.270 nan 0.000 0.450 39 I N 3.982 124.629 120.570 0.129 0.000 2.354 39 I HA 0.281 4.451 4.170 0.000 0.000 0.292 39 I C -0.204 175.988 176.117 0.124 0.000 0.989 39 I CA -0.494 60.878 61.300 0.120 0.000 1.188 39 I CB 1.813 39.867 38.000 0.091 0.000 1.342 39 I HN 0.723 nan 8.210 nan 0.000 0.457 40 E N 5.556 125.845 120.200 0.149 0.000 2.187 40 E HA 0.602 4.952 4.350 0.000 0.000 0.268 40 E C -0.919 175.779 176.600 0.163 0.000 0.896 40 E CA -0.679 55.816 56.400 0.158 0.000 0.766 40 E CB 2.854 32.664 29.700 0.184 0.000 1.142 40 E HN 0.434 nan 8.360 nan 0.000 0.408 41 V N -0.628 119.360 119.914 0.124 0.000 3.040 41 V HA 0.549 4.669 4.120 0.000 0.000 0.312 41 V C -0.643 175.510 176.094 0.099 0.000 1.115 41 V CA -1.037 61.322 62.300 0.097 0.000 0.998 41 V CB 2.034 33.898 31.823 0.068 0.000 1.042 41 V HN 0.603 nan 8.190 nan 0.000 0.433 42 E N 1.169 121.412 120.200 0.071 0.000 2.166 42 E HA 0.636 4.986 4.350 0.000 0.000 0.275 42 E C -1.004 175.622 176.600 0.043 0.000 0.941 42 E CA -0.585 55.846 56.400 0.053 0.000 0.784 42 E CB 2.333 32.048 29.700 0.026 0.000 1.115 42 E HN 0.798 nan 8.360 nan 0.000 0.399 43 V N 2.209 122.155 119.914 0.053 0.000 2.815 43 V HA 0.515 4.635 4.120 0.000 0.000 0.314 43 V C -1.168 174.904 176.094 -0.037 0.000 1.064 43 V CA -0.480 61.846 62.300 0.044 0.000 0.952 43 V CB 1.921 33.834 31.823 0.149 0.000 1.020 43 V HN 0.806 nan 8.190 nan 0.000 0.439 44 E N 4.263 124.445 120.200 -0.030 0.000 2.244 44 E HA 0.402 4.752 4.350 0.000 0.000 0.260 44 E C -0.192 176.387 176.600 -0.036 0.000 0.884 44 E CA -0.524 55.842 56.400 -0.056 0.000 0.777 44 E CB 0.823 30.497 29.700 -0.043 0.000 1.197 44 E HN 0.881 nan 8.360 nan 0.000 0.416 45 N N 3.506 122.177 118.700 -0.049 0.000 2.754 45 N HA -0.202 4.538 4.740 0.000 0.000 0.248 45 N C 0.435 175.951 175.510 0.010 0.000 1.093 45 N CA 1.705 54.743 53.050 -0.019 0.000 0.699 45 N CB -1.213 37.264 38.487 -0.016 0.000 1.016 45 N HN 0.987 nan 8.380 nan 0.000 0.552 46 G N -1.505 107.318 108.800 0.039 0.000 2.162 46 G HA2 -0.338 3.622 3.960 0.000 0.000 0.260 46 G HA3 -0.338 3.622 3.960 0.000 0.000 0.260 46 G C -0.005 174.913 174.900 0.031 0.000 0.976 46 G CA 0.931 46.069 45.100 0.063 0.000 0.655 46 G HN 0.594 nan 8.290 nan 0.000 0.533 47 K N -0.412 119.997 120.400 0.015 0.000 2.422 47 K HA 0.591 4.911 4.320 0.000 0.000 0.251 47 K C 0.092 176.692 176.600 0.000 0.000 0.933 47 K CA -0.992 55.289 56.287 -0.010 0.000 0.798 47 K CB 2.966 35.454 32.500 -0.020 0.000 1.238 47 K HN 0.033 nan 8.250 nan 0.000 0.428 48 V N 3.708 123.617 119.914 -0.008 0.000 2.585 48 V HA -0.028 4.092 4.120 0.000 0.000 0.296 48 V C 1.216 177.306 176.094 -0.007 0.000 1.035 48 V CA 0.581 62.884 62.300 0.004 0.000 1.084 48 V CB 0.614 32.440 31.823 0.005 0.000 0.953 48 V HN 0.846 nan 8.190 nan 0.000 0.483 49 K N 3.922 124.315 120.400 -0.010 0.000 2.380 49 K HA 0.252 4.572 4.320 0.000 0.000 0.198 49 K C 0.456 177.030 176.600 -0.043 0.000 1.070 49 K CA -0.019 56.255 56.287 -0.023 0.000 1.040 49 K CB 0.596 33.083 32.500 -0.022 0.000 0.903 49 K HN 0.685 nan 8.250 nan 0.000 0.549 50 N N -0.468 118.201 118.700 -0.051 0.000 2.598 50 N HA 0.483 5.223 4.740 0.000 0.000 0.263 50 N C -2.176 173.252 175.510 -0.137 0.000 1.254 50 N CA -0.665 52.315 53.050 -0.117 0.000 0.863 50 N CB 2.265 40.693 38.487 -0.099 0.000 1.586 50 N HN 0.191 nan 8.380 nan 0.000 0.491 51 A N 1.652 124.287 122.820 -0.308 0.000 2.574 51 A HA 0.638 4.958 4.320 0.000 0.000 0.297 51 A C -2.248 174.993 177.584 -0.571 0.000 1.062 51 A CA -0.347 51.541 52.037 -0.248 0.000 0.686 51 A CB 0.998 19.926 19.000 -0.121 0.000 1.285 51 A HN 0.602 nan 8.150 nan 0.000 0.403 52 Y N 0.425 120.651 120.300 -0.122 0.000 2.361 52 Y HA 0.591 5.141 4.550 0.000 0.000 0.337 52 Y C 0.588 176.468 175.900 -0.032 0.000 0.965 52 Y CA -0.434 57.526 58.100 -0.233 0.000 1.091 52 Y CB 2.625 40.800 38.460 -0.475 0.000 1.182 52 Y HN 0.583 nan 8.280 nan 0.000 0.450 53 S N 2.590 118.432 115.700 0.237 0.000 2.423 53 S HA 0.367 4.838 4.470 0.000 0.000 0.317 53 S C -0.541 174.234 174.600 0.292 0.000 1.065 53 S CA -0.382 57.947 58.200 0.216 0.000 1.111 53 S CB 0.161 63.434 63.200 0.122 0.000 0.968 53 S HN 0.579 nan 8.310 nan 0.000 0.474 54 S N 4.340 120.184 115.700 0.239 0.000 2.498 54 S HA 0.516 4.986 4.470 0.000 0.000 0.324 54 S C -0.427 174.300 174.600 0.211 0.000 1.071 54 S CA -0.568 57.754 58.200 0.204 0.000 1.113 54 S CB 0.551 63.876 63.200 0.209 0.000 0.976 54 S HN 0.626 nan 8.310 nan 0.000 0.462 55 S N 3.280 119.100 115.700 0.201 0.000 2.475 55 S HA 0.353 4.823 4.470 0.000 0.000 0.281 55 S C 1.033 175.951 174.600 0.529 0.000 1.198 55 S CA -0.568 57.821 58.200 0.314 0.000 1.063 55 S CB 1.207 64.577 63.200 0.282 0.000 0.972 55 S HN 0.882 nan 8.310 nan 0.000 0.486 56 T N 0.340 115.203 114.554 0.514 0.000 3.182 56 T HA 0.391 4.741 4.350 0.000 0.000 0.277 56 T C -0.189 174.778 174.700 0.446 0.000 1.013 56 T CA -0.305 62.146 62.100 0.585 0.000 0.900 56 T CB -0.350 68.745 68.868 0.379 0.000 1.098 56 T HN 0.335 nan 8.240 nan 0.000 0.543 57 L N 1.048 122.493 121.223 0.371 0.000 2.386 57 L HA 0.848 5.188 4.340 0.000 0.000 0.271 57 L C -1.753 175.086 176.870 -0.051 0.000 0.993 57 L CA -1.385 53.512 54.840 0.094 0.000 0.819 57 L CB 2.034 44.188 42.059 0.157 0.000 1.294 57 L HN 0.237 nan 8.230 nan 0.000 0.414 58 F N 4.366 123.940 119.950 -0.626 0.000 2.520 58 F HA 0.625 5.152 4.527 0.000 0.000 0.322 58 F C 0.520 176.089 175.800 -0.386 0.000 1.103 58 F CA -0.319 57.295 58.000 -0.642 0.000 0.926 58 F CB 1.875 40.021 39.000 -1.424 0.000 1.154 58 F HN 0.634 nan 8.300 nan 0.000 0.453 59 R N 2.377 122.310 120.500 -0.946 0.000 2.243 59 R HA 0.316 4.656 4.340 0.000 0.000 0.193 59 R C 0.569 176.299 176.300 -0.950 0.000 0.933 59 R CA 0.336 56.026 56.100 -0.684 0.000 1.105 59 R CB 0.517 30.609 30.300 -0.348 0.000 1.169 59 R HN 0.963 nan 8.270 nan 0.000 0.599 60 G N 1.643 109.600 108.800 -1.405 0.000 2.203 60 G HA2 -0.208 3.752 3.960 0.000 0.000 0.231 60 G HA3 -0.208 3.752 3.960 0.000 0.000 0.231 60 G C 0.529 175.276 174.900 -0.256 0.000 1.058 60 G CA -0.033 44.569 45.100 -0.830 0.000 0.781 60 G HN 0.147 nan 8.290 nan 0.000 0.496 61 L N -0.763 120.345 121.223 -0.191 0.000 2.127 61 L HA -0.080 4.260 4.340 0.000 0.000 0.211 61 L C 2.716 179.545 176.870 -0.069 0.000 1.089 61 L CA 2.048 56.835 54.840 -0.089 0.000 0.757 61 L CB -0.376 41.643 42.059 -0.065 0.000 0.899 61 L HN 0.479 nan 8.230 nan 0.000 0.434 62 E N 0.434 120.643 120.200 0.015 0.000 2.106 62 E HA -0.188 4.162 4.350 0.000 0.000 0.192 62 E C 2.251 178.871 176.600 0.035 0.000 0.984 62 E CA 1.073 57.507 56.400 0.057 0.000 0.806 62 E CB -0.057 29.731 29.700 0.146 0.000 0.750 62 E HN 0.489 nan 8.360 nan 0.000 0.458 63 I N 0.711 121.312 120.570 0.051 0.000 2.252 63 I HA -0.249 3.921 4.170 0.000 0.000 0.245 63 I C 2.228 178.335 176.117 -0.016 0.000 1.102 63 I CA 1.018 62.348 61.300 0.050 0.000 1.385 63 I CB -0.200 37.864 38.000 0.107 0.000 1.064 63 I HN 0.094 nan 8.210 nan 0.000 0.414 64 I N 0.496 121.032 120.570 -0.056 0.000 2.361 64 I HA -0.267 3.903 4.170 0.000 0.000 0.251 64 I C 2.287 178.252 176.117 -0.253 0.000 1.133 64 I CA 1.313 62.547 61.300 -0.109 0.000 1.413 64 I CB -0.180 37.781 38.000 -0.066 0.000 1.073 64 I HN 0.214 nan 8.210 nan 0.000 0.424 65 L N 0.295 121.342 121.223 -0.293 0.000 2.291 65 L HA -0.072 4.268 4.340 0.000 0.000 0.214 65 L C 0.988 177.730 176.870 -0.213 0.000 1.120 65 L CA 0.518 55.117 54.840 -0.403 0.000 0.799 65 L CB -0.389 41.435 42.059 -0.392 0.000 0.925 65 L HN 0.095 nan 8.230 nan 0.000 0.446 66 K N 0.615 120.955 120.400 -0.100 0.000 2.484 66 K HA 0.102 4.422 4.320 0.000 0.000 0.280 66 K C 1.113 177.685 176.600 -0.046 0.000 1.013 66 K CA 0.775 57.042 56.287 -0.034 0.000 1.029 66 K CB 0.245 32.745 32.500 0.001 0.000 0.902 66 K HN 0.273 nan 8.250 nan 0.000 0.481 67 G N 2.625 111.413 108.800 -0.019 0.000 2.199 67 G HA2 -0.287 3.673 3.960 0.000 0.000 0.254 67 G HA3 -0.287 3.673 3.960 0.000 0.000 0.254 67 G C 0.188 175.074 174.900 -0.022 0.000 0.982 67 G CA -0.060 45.033 45.100 -0.012 0.000 0.632 67 G HN 0.586 nan 8.290 nan 0.000 0.529 68 R N 0.304 120.768 120.500 -0.061 0.000 2.541 68 R HA 0.434 4.774 4.340 0.000 0.000 0.263 68 R C -0.257 176.037 176.300 -0.011 0.000 1.112 68 R CA -0.517 55.545 56.100 -0.064 0.000 1.170 68 R CB 0.347 30.531 30.300 -0.194 0.000 1.167 68 R HN 0.190 nan 8.270 nan 0.000 0.582 69 D N 1.081 121.495 120.400 0.023 0.000 2.417 69 D HA 0.034 4.674 4.640 0.000 0.000 0.250 69 D C -1.700 174.644 176.300 0.072 0.000 1.166 69 D CA -1.947 52.094 54.000 0.068 0.000 0.881 69 D CB 1.263 42.120 40.800 0.096 0.000 1.164 69 D HN 0.106 nan 8.370 nan 0.000 0.467 70 P HA -0.114 nan 4.420 nan 0.000 0.217 70 P C 1.079 178.431 177.300 0.088 0.000 1.148 70 P CA 1.132 64.293 63.100 0.102 0.000 0.828 70 P CB 0.195 31.967 31.700 0.121 0.000 0.783 71 R N -0.710 119.869 120.500 0.132 0.000 2.193 71 R HA -0.110 4.230 4.340 0.000 0.000 0.229 71 R C 1.188 177.578 176.300 0.150 0.000 1.110 71 R CA 1.137 57.321 56.100 0.140 0.000 0.988 71 R CB -0.592 29.848 30.300 0.233 0.000 0.871 71 R HN 0.254 nan 8.270 nan 0.000 0.458 72 D N 0.141 120.640 120.400 0.165 0.000 2.333 72 D HA 0.044 4.684 4.640 0.000 0.000 0.208 72 D C 1.630 178.060 176.300 0.216 0.000 0.984 72 D CA 0.607 54.774 54.000 0.278 0.000 0.873 72 D CB 0.093 41.065 40.800 0.286 0.000 0.935 72 D HN 0.175 nan 8.370 nan 0.000 0.521 73 A N 1.493 124.312 122.820 -0.002 0.000 1.883 73 A HA -0.283 4.037 4.320 0.000 0.000 0.217 73 A C 2.148 179.651 177.584 -0.136 0.000 1.186 73 A CA 2.039 53.953 52.037 -0.204 0.000 0.624 73 A CB -0.793 17.960 19.000 -0.412 0.000 0.822 73 A HN 0.390 nan 8.150 nan 0.000 0.444 74 Q N -1.002 118.699 119.800 -0.165 0.000 2.181 74 Q HA -0.249 4.091 4.340 0.000 0.000 0.205 74 Q C 1.643 177.486 176.000 -0.262 0.000 0.980 74 Q CA 2.066 57.733 55.803 -0.227 0.000 0.862 74 Q CB -0.752 27.781 28.738 -0.341 0.000 0.905 74 Q HN 0.832 nan 8.270 nan 0.000 0.429 75 H N -0.725 118.355 119.070 0.016 0.000 2.363 75 H HA 0.007 4.563 4.556 0.000 0.000 0.301 75 H C 1.249 176.505 175.328 -0.121 0.000 1.074 75 H CA 1.500 57.512 56.048 -0.060 0.000 1.354 75 H CB -0.012 29.706 29.762 -0.075 0.000 1.397 75 H HN 0.197 nan 8.280 nan 0.000 0.516 76 F N 0.495 120.413 119.950 -0.054 0.000 2.113 76 F HA -0.177 4.350 4.527 0.000 0.000 0.297 76 F C 2.804 178.500 175.800 -0.173 0.000 1.103 76 F CA 1.572 59.500 58.000 -0.120 0.000 1.248 76 F CB -0.751 38.153 39.000 -0.160 0.000 0.999 76 F HN 0.215 nan 8.300 nan 0.000 0.475 77 T N -2.312 112.246 114.554 0.006 0.000 2.995 77 T HA -0.194 4.156 4.350 0.000 0.000 0.269 77 T C 1.810 176.479 174.700 -0.052 0.000 1.091 77 T CA 1.076 63.131 62.100 -0.074 0.000 1.128 77 T CB -0.528 68.324 68.868 -0.027 0.000 0.891 77 T HN 0.368 nan 8.240 nan 0.000 0.492 78 Q N 0.588 120.356 119.800 -0.053 0.000 2.181 78 Q HA -0.081 4.259 4.340 0.000 0.000 0.205 78 Q C 1.768 177.631 176.000 -0.227 0.000 0.980 78 Q CA 1.076 56.827 55.803 -0.087 0.000 0.862 78 Q CB -0.037 28.610 28.738 -0.152 0.000 0.905 78 Q HN 0.326 nan 8.270 nan 0.000 0.429 79 R N -0.467 119.875 120.500 -0.264 0.000 2.325 79 R HA 0.057 4.397 4.340 0.000 0.000 0.214 79 R C 1.621 177.879 176.300 -0.070 0.000 0.961 79 R CA 0.598 56.587 56.100 -0.185 0.000 1.086 79 R CB -0.318 29.892 30.300 -0.150 0.000 1.037 79 R HN 0.216 nan 8.270 nan 0.000 0.493 80 T N -0.884 113.581 114.554 -0.148 0.000 2.759 80 T HA -0.120 4.230 4.350 0.000 0.000 0.269 80 T C 0.717 175.394 174.700 -0.037 0.000 1.042 80 T CA 1.248 63.230 62.100 -0.197 0.000 1.140 80 T CB -0.103 68.360 68.868 -0.675 0.000 0.864 80 T HN 0.366 nan 8.240 nan 0.000 0.455 81 C N 0.013 119.360 119.300 0.078 0.000 3.046 81 C HA 0.612 5.072 4.460 0.000 0.000 0.388 81 C C 1.300 176.478 174.990 0.313 0.000 1.041 81 C CA -0.568 58.564 59.018 0.190 0.000 1.241 81 C CB 0.953 28.826 27.740 0.222 0.000 1.638 81 C HN 0.487 nan 8.230 nan 0.000 0.539 82 G N 2.800 111.735 108.800 0.225 0.000 2.986 82 G HA2 0.208 4.168 3.960 0.000 0.000 0.213 82 G HA3 0.208 4.168 3.960 0.000 0.000 0.213 82 G C 0.978 175.915 174.900 0.062 0.000 1.156 82 G CA 1.003 46.150 45.100 0.079 0.000 0.763 82 G HN 0.702 nan 8.290 nan 0.000 0.547 83 V N 1.307 121.289 119.914 0.113 0.000 2.256 83 V HA -0.098 4.023 4.120 0.000 0.000 0.240 83 V C 2.430 178.612 176.094 0.147 0.000 1.036 83 V CA 1.570 63.946 62.300 0.126 0.000 1.008 83 V CB -0.588 31.307 31.823 0.119 0.000 0.648 83 V HN 0.590 nan 8.190 nan 0.000 0.453 84 C N 1.160 120.551 119.300 0.151 0.000 3.093 84 C HA 0.383 4.843 4.460 0.000 0.000 0.515 84 C C 1.189 176.296 174.990 0.196 0.000 1.253 84 C CA -0.980 58.117 59.018 0.133 0.000 1.476 84 C CB -2.475 25.313 27.740 0.081 0.000 1.873 84 C HN 0.466 nan 8.230 nan 0.000 0.632 85 T N -0.413 114.274 114.554 0.222 0.000 2.791 85 T HA 0.115 4.465 4.350 0.000 0.000 0.323 85 T C 0.587 175.493 174.700 0.343 0.000 1.082 85 T CA 1.562 63.851 62.100 0.316 0.000 1.084 85 T CB 0.053 69.064 68.868 0.238 0.000 0.992 85 T HN 1.313 nan 8.240 nan 0.000 0.547 86 Y N 0.386 120.814 120.300 0.212 0.000 2.902 86 Y HA -0.408 4.143 4.550 0.000 0.000 0.486 86 Y C 1.975 177.921 175.900 0.077 0.000 1.163 86 Y CA 2.923 61.119 58.100 0.160 0.000 2.765 86 Y CB -2.038 36.537 38.460 0.190 0.000 0.870 86 Y HN 0.883 nan 8.280 nan 0.000 0.536 87 T N -2.015 112.460 114.554 -0.132 0.000 2.759 87 T HA -0.259 4.091 4.350 0.000 0.000 0.269 87 T C 1.359 175.792 174.700 -0.445 0.000 1.042 87 T CA 1.977 63.846 62.100 -0.386 0.000 1.140 87 T CB -0.720 67.962 68.868 -0.310 0.000 0.864 87 T HN 0.764 nan 8.240 nan 0.000 0.455 88 H N 1.011 119.991 119.070 -0.150 0.000 2.436 88 H HA 0.355 4.911 4.556 0.000 0.000 0.294 88 H C 2.804 178.032 175.328 -0.167 0.000 1.048 88 H CA 1.026 57.001 56.048 -0.120 0.000 1.353 88 H CB -0.428 29.397 29.762 0.106 0.000 1.414 88 H HN 0.577 nan 8.280 nan 0.000 0.536 89 A N 1.401 124.186 122.820 -0.058 0.000 1.902 89 A HA -0.141 4.179 4.320 0.000 0.000 0.217 89 A C 2.458 179.882 177.584 -0.267 0.000 1.181 89 A CA 1.232 53.188 52.037 -0.135 0.000 0.623 89 A CB -0.658 18.307 19.000 -0.058 0.000 0.818 89 A HN 0.279 nan 8.150 nan 0.000 0.443 90 L N -0.406 120.545 121.223 -0.453 0.000 2.056 90 L HA 0.021 4.361 4.340 0.000 0.000 0.207 90 L C 2.639 179.261 176.870 -0.412 0.000 1.078 90 L CA 2.133 56.676 54.840 -0.495 0.000 0.749 90 L CB -0.768 40.835 42.059 -0.761 0.000 0.901 90 L HN 0.317 nan 8.230 nan 0.000 0.433 91 A N -1.479 121.036 122.820 -0.509 0.000 1.902 91 A HA -0.167 4.153 4.320 0.000 0.000 0.217 91 A C 2.398 179.692 177.584 -0.483 0.000 1.181 91 A CA 1.943 53.608 52.037 -0.621 0.000 0.623 91 A CB -0.932 17.442 19.000 -1.043 0.000 0.818 91 A HN 0.510 nan 8.150 nan 0.000 0.443 92 S N -0.576 114.962 115.700 -0.270 0.000 2.383 92 S HA -0.103 4.367 4.470 0.000 0.000 0.227 92 S C 2.033 176.605 174.600 -0.046 0.000 1.026 92 S CA 1.698 59.986 58.200 0.148 0.000 0.981 92 S CB -0.413 62.932 63.200 0.242 0.000 0.818 92 S HN 0.707 nan 8.310 nan 0.000 0.472 93 T N 1.958 116.411 114.554 -0.167 0.000 2.777 93 T HA -0.014 4.336 4.350 0.000 0.000 0.266 93 T C 1.874 176.435 174.700 -0.232 0.000 1.040 93 T CA 0.919 62.896 62.100 -0.205 0.000 1.141 93 T CB -0.128 68.601 68.868 -0.233 0.000 0.868 93 T HN 0.323 nan 8.240 nan 0.000 0.444 94 R N 0.091 120.437 120.500 -0.258 0.000 2.096 94 R HA -0.054 4.286 4.340 0.000 0.000 0.235 94 R C 2.863 178.980 176.300 -0.305 0.000 1.127 94 R CA 1.260 57.187 56.100 -0.288 0.000 0.968 94 R CB -0.804 29.315 30.300 -0.301 0.000 0.861 94 R HN 0.418 nan 8.270 nan 0.000 0.440 95 C N 0.079 119.215 119.300 -0.274 0.000 2.453 95 C HA -0.036 4.424 4.460 0.000 0.000 0.277 95 C C 2.515 177.401 174.990 -0.173 0.000 1.262 95 C CA 0.637 59.501 59.018 -0.258 0.000 1.718 95 C CB -0.620 26.995 27.740 -0.208 0.000 2.031 95 C HN 0.280 nan 8.230 nan 0.000 0.480 96 V N 1.268 121.102 119.914 -0.132 0.000 2.591 96 V HA -0.094 4.026 4.120 0.000 0.000 0.249 96 V C 2.264 178.211 176.094 -0.245 0.000 1.053 96 V CA 2.186 64.398 62.300 -0.147 0.000 1.068 96 V CB -0.764 30.978 31.823 -0.136 0.000 0.689 96 V HN 0.497 nan 8.190 nan 0.000 0.462 97 D N 0.506 120.735 120.400 -0.285 0.000 2.116 97 D HA -0.223 4.417 4.640 0.000 0.000 0.193 97 D C 2.110 178.307 176.300 -0.172 0.000 0.998 97 D CA 1.618 55.452 54.000 -0.278 0.000 0.836 97 D CB -0.459 40.184 40.800 -0.262 0.000 0.951 97 D HN 0.470 nan 8.370 nan 0.000 0.449 98 N N 0.633 119.205 118.700 -0.214 0.000 2.120 98 N HA -0.147 4.593 4.740 0.000 0.000 0.188 98 N C 1.742 177.248 175.510 -0.006 0.000 1.024 98 N CA 1.440 54.395 53.050 -0.159 0.000 0.852 98 N CB 0.052 38.372 38.487 -0.278 0.000 1.003 98 N HN 0.075 nan 8.380 nan 0.000 0.424 99 A N 0.681 123.478 122.820 -0.039 0.000 1.933 99 A HA -0.034 4.286 4.320 0.000 0.000 0.218 99 A C 2.329 179.932 177.584 0.033 0.000 1.175 99 A CA 1.131 53.171 52.037 0.005 0.000 0.628 99 A CB -0.547 18.451 19.000 -0.003 0.000 0.814 99 A HN 0.217 nan 8.150 nan 0.000 0.444 100 V N -0.873 119.047 119.914 0.011 0.000 3.306 100 V HA 0.194 4.314 4.120 0.000 0.000 0.264 100 V C 1.804 177.975 176.094 0.128 0.000 1.149 100 V CA 1.048 63.396 62.300 0.080 0.000 1.143 100 V CB -0.835 30.981 31.823 -0.012 0.000 0.767 100 V HN 1.088 nan 8.190 nan 0.000 0.476 101 G N 0.545 109.422 108.800 0.128 0.000 2.160 101 G HA2 -0.219 3.741 3.960 0.000 0.000 0.251 101 G HA3 -0.219 3.741 3.960 0.000 0.000 0.251 101 G C 0.179 175.206 174.900 0.212 0.000 1.008 101 G CA 0.428 45.638 45.100 0.182 0.000 0.724 101 G HN 0.554 nan 8.290 nan 0.000 0.514 102 V N 1.279 121.295 119.914 0.169 0.000 2.607 102 V HA 0.550 4.670 4.120 0.000 0.000 0.289 102 V C 0.316 176.507 176.094 0.161 0.000 1.053 102 V CA -0.861 61.553 62.300 0.190 0.000 0.996 102 V CB 0.952 32.842 31.823 0.112 0.000 0.995 102 V HN 0.362 nan 8.190 nan 0.000 0.476 103 H N 7.305 126.446 119.070 0.119 0.000 2.623 103 H HA 0.356 4.912 4.556 0.000 0.000 0.299 103 H C 0.252 175.634 175.328 0.089 0.000 1.052 103 H CA -0.324 55.807 56.048 0.137 0.000 1.231 103 H CB 1.183 30.959 29.762 0.023 0.000 1.389 103 H HN 0.752 nan 8.280 nan 0.000 0.469 104 I N 1.179 121.825 120.570 0.127 0.000 2.882 104 I HA 0.340 4.510 4.170 0.000 0.000 0.286 104 I C -2.392 173.766 176.117 0.069 0.000 1.139 104 I CA -2.127 59.216 61.300 0.071 0.000 1.379 104 I CB 0.262 38.264 38.000 0.004 0.000 1.410 104 I HN 0.168 nan 8.210 nan 0.000 0.594 105 P HA 0.130 nan 4.420 nan 0.000 0.270 105 P C 0.002 177.311 177.300 0.014 0.000 1.223 105 P CA -0.310 62.820 63.100 0.049 0.000 0.785 105 P CB 0.545 32.279 31.700 0.057 0.000 0.923 106 K N 0.892 121.300 120.400 0.013 0.000 2.074 106 K HA -0.184 4.137 4.320 0.000 0.000 0.209 106 K C 1.557 178.132 176.600 -0.041 0.000 1.048 106 K CA 1.533 57.785 56.287 -0.059 0.000 0.926 106 K CB -0.291 32.223 32.500 0.023 0.000 0.713 106 K HN 0.407 nan 8.250 nan 0.000 0.444 107 N N 0.613 119.385 118.700 0.120 0.000 2.244 107 N HA -0.118 4.622 4.740 0.000 0.000 0.183 107 N C 1.624 177.143 175.510 0.014 0.000 1.016 107 N CA 1.160 54.332 53.050 0.202 0.000 0.866 107 N CB -0.186 38.435 38.487 0.224 0.000 0.980 107 N HN 0.191 nan 8.380 nan 0.000 0.430 108 A N 0.389 123.199 122.820 -0.017 0.000 1.930 108 A HA -0.083 4.237 4.320 0.000 0.000 0.217 108 A C 2.378 179.932 177.584 -0.050 0.000 1.175 108 A CA 1.681 53.695 52.037 -0.038 0.000 0.627 108 A CB -0.917 18.067 19.000 -0.027 0.000 0.815 108 A HN 0.238 nan 8.150 nan 0.000 0.443 109 T N -1.085 113.413 114.554 -0.095 0.000 2.708 109 T HA -0.163 4.188 4.350 0.000 0.000 0.266 109 T C 1.714 176.332 174.700 -0.136 0.000 1.037 109 T CA 1.796 63.818 62.100 -0.130 0.000 1.146 109 T CB -0.489 68.254 68.868 -0.208 0.000 0.865 109 T HN 0.599 nan 8.240 nan 0.000 0.435 110 Y N 0.812 121.044 120.300 -0.113 0.000 2.128 110 Y HA -0.094 4.456 4.550 0.000 0.000 0.284 110 Y C 2.352 178.019 175.900 -0.389 0.000 1.154 110 Y CA 0.807 58.758 58.100 -0.248 0.000 1.149 110 Y CB -0.370 37.877 38.460 -0.355 0.000 0.976 110 Y HN 0.152 nan 8.280 nan 0.000 0.505 111 I N -0.241 120.137 120.570 -0.321 0.000 2.252 111 I HA -0.302 3.868 4.170 0.000 0.000 0.245 111 I C 2.345 178.445 176.117 -0.028 0.000 1.102 111 I CA 1.310 62.367 61.300 -0.406 0.000 1.385 111 I CB -0.369 37.370 38.000 -0.435 0.000 1.064 111 I HN 0.149 nan 8.210 nan 0.000 0.414 112 R N 0.659 121.245 120.500 0.143 0.000 2.091 112 R HA -0.157 4.183 4.340 0.000 0.000 0.238 112 R C 2.028 178.533 176.300 0.341 0.000 1.136 112 R CA 1.799 58.111 56.100 0.353 0.000 0.959 112 R CB -0.570 29.871 30.300 0.236 0.000 0.856 112 R HN 0.522 nan 8.270 nan 0.000 0.437 113 N N 0.372 119.207 118.700 0.225 0.000 2.188 113 N HA -0.107 4.633 4.740 0.000 0.000 0.184 113 N C 1.802 177.513 175.510 0.334 0.000 1.018 113 N CA 0.705 53.969 53.050 0.357 0.000 0.858 113 N CB -0.015 38.666 38.487 0.323 0.000 0.989 113 N HN 0.122 nan 8.380 nan 0.000 0.426 114 L N 0.575 121.859 121.223 0.101 0.000 2.056 114 L HA -0.117 4.223 4.340 0.000 0.000 0.207 114 L C 2.200 179.165 176.870 0.158 0.000 1.078 114 L CA 0.722 55.575 54.840 0.021 0.000 0.749 114 L CB -0.298 41.591 42.059 -0.283 0.000 0.901 114 L HN 0.039 nan 8.230 nan 0.000 0.433 115 V N -0.194 119.779 119.914 0.098 0.000 2.407 115 V HA -0.273 3.848 4.120 0.000 0.000 0.248 115 V C 2.324 178.558 176.094 0.232 0.000 1.055 115 V CA 1.486 63.797 62.300 0.019 0.000 1.049 115 V CB -0.369 31.226 31.823 -0.380 0.000 0.662 115 V HN 0.324 nan 8.190 nan 0.000 0.455 116 L N 1.332 122.865 121.223 0.517 0.000 2.093 116 L HA 0.056 4.396 4.340 0.000 0.000 0.208 116 L C 2.336 179.628 176.870 0.702 0.000 1.085 116 L CA 2.270 57.517 54.840 0.678 0.000 0.755 116 L CB -1.260 41.161 42.059 0.603 0.000 0.904 116 L HN 0.252 nan 8.230 nan 0.000 0.435 117 G N -0.892 108.311 108.800 0.672 0.000 2.446 117 G HA2 -0.281 3.679 3.960 0.000 0.000 0.217 117 G HA3 -0.281 3.679 3.960 0.000 0.000 0.217 117 G C 1.615 176.769 174.900 0.423 0.000 1.168 117 G CA 0.820 46.223 45.100 0.505 0.000 0.771 117 G HN 0.614 nan 8.290 nan 0.000 0.551 118 A N 0.284 123.322 122.820 0.363 0.000 1.933 118 A HA -0.116 4.204 4.320 0.000 0.000 0.218 118 A C 2.310 180.063 177.584 0.281 0.000 1.175 118 A CA 2.334 54.539 52.037 0.280 0.000 0.628 118 A CB -0.464 18.674 19.000 0.230 0.000 0.814 118 A HN 0.444 nan 8.150 nan 0.000 0.444 119 Q N -0.977 119.010 119.800 0.312 0.000 2.050 119 Q HA -0.201 4.139 4.340 0.000 0.000 0.202 119 Q C 1.697 177.844 176.000 0.246 0.000 0.980 119 Q CA 2.214 58.180 55.803 0.271 0.000 0.840 119 Q CB -0.694 28.221 28.738 0.296 0.000 0.898 119 Q HN 0.688 nan 8.270 nan 0.000 0.424 120 Y N 0.102 120.499 120.300 0.161 0.000 2.207 120 Y HA -0.185 4.365 4.550 0.000 0.000 0.287 120 Y C 1.990 177.892 175.900 0.003 0.000 1.156 120 Y CA 1.553 59.647 58.100 -0.010 0.000 1.182 120 Y CB -0.111 38.401 38.460 0.087 0.000 0.979 120 Y HN 0.120 nan 8.280 nan 0.000 0.521 121 L N -1.426 119.993 121.223 0.326 0.000 2.027 121 L HA -0.237 4.103 4.340 0.000 0.000 0.206 121 L C 2.556 179.568 176.870 0.235 0.000 1.074 121 L CA 1.645 56.660 54.840 0.292 0.000 0.745 121 L CB -0.944 41.282 42.059 0.278 0.000 0.898 121 L HN 0.363 nan 8.230 nan 0.000 0.433 122 H N 0.384 119.534 119.070 0.132 0.000 2.319 122 H HA -0.239 4.317 4.556 0.000 0.000 0.299 122 H C 1.862 177.253 175.328 0.104 0.000 1.092 122 H CA 2.252 58.353 56.048 0.088 0.000 1.302 122 H CB 0.107 29.906 29.762 0.061 0.000 1.373 122 H HN 0.309 nan 8.280 nan 0.000 0.497 123 D N -0.254 120.203 120.400 0.096 0.000 2.084 123 D HA -0.154 4.486 4.640 0.000 0.000 0.194 123 D C 2.119 178.509 176.300 0.150 0.000 0.990 123 D CA 1.106 55.147 54.000 0.068 0.000 0.826 123 D CB -0.287 40.535 40.800 0.037 0.000 0.971 123 D HN 0.449 nan 8.370 nan 0.000 0.453 124 H N 0.122 119.269 119.070 0.129 0.000 2.389 124 H HA 0.043 4.599 4.556 0.000 0.000 0.299 124 H C 2.354 177.682 175.328 -0.001 0.000 1.081 124 H CA 0.496 56.638 56.048 0.156 0.000 1.345 124 H CB -0.369 29.565 29.762 0.287 0.000 1.393 124 H HN 0.262 nan 8.280 nan 0.000 0.520 125 I N -0.350 120.257 120.570 0.061 0.000 2.179 125 I HA -0.226 3.944 4.170 0.000 0.000 0.242 125 I C 2.309 178.380 176.117 -0.078 0.000 1.088 125 I CA 0.822 62.057 61.300 -0.107 0.000 1.357 125 I CB -0.214 37.806 38.000 0.033 0.000 1.051 125 I HN 0.021 nan 8.210 nan 0.000 0.409 126 V N 0.445 120.297 119.914 -0.102 0.000 2.407 126 V HA -0.332 3.788 4.120 0.000 0.000 0.248 126 V C 2.492 178.565 176.094 -0.034 0.000 1.055 126 V CA 2.085 64.352 62.300 -0.055 0.000 1.049 126 V CB -1.002 30.760 31.823 -0.101 0.000 0.662 126 V HN 0.533 nan 8.190 nan 0.000 0.455 127 H N -0.643 118.415 119.070 -0.020 0.000 2.290 127 H HA -0.243 4.313 4.556 0.000 0.000 0.298 127 H C 2.309 177.626 175.328 -0.017 0.000 1.087 127 H CA 2.503 58.556 56.048 0.008 0.000 1.291 127 H CB -0.212 29.596 29.762 0.077 0.000 1.369 127 H HN 0.447 nan 8.280 nan 0.000 0.492 128 F N 0.544 120.356 119.950 -0.231 0.000 2.102 128 F HA -0.272 4.255 4.527 0.000 0.000 0.298 128 F C 1.927 177.451 175.800 -0.460 0.000 1.105 128 F CA 1.643 59.431 58.000 -0.353 0.000 1.239 128 F CB -0.482 38.177 39.000 -0.568 0.000 0.991 128 F HN 0.095 nan 8.300 nan 0.000 0.474 129 Y N -0.705 119.357 120.300 -0.396 0.000 2.176 129 Y HA -0.090 4.460 4.550 0.000 0.000 0.291 129 Y C 2.537 178.162 175.900 -0.457 0.000 1.122 129 Y CA 2.150 59.934 58.100 -0.527 0.000 1.128 129 Y CB -0.999 37.009 38.460 -0.754 0.000 1.005 129 Y HN 0.114 nan 8.280 nan 0.000 0.509 130 H N -1.399 117.616 119.070 -0.091 0.000 2.544 130 H HA 0.142 4.698 4.556 0.000 0.000 0.269 130 H C 1.554 176.831 175.328 -0.084 0.000 0.970 130 H CA 0.710 56.671 56.048 -0.146 0.000 1.219 130 H CB 0.289 29.904 29.762 -0.245 0.000 1.421 130 H HN 0.219 nan 8.280 nan 0.000 0.555 131 L N -1.170 119.961 121.223 -0.153 0.000 2.445 131 L HA 0.053 4.393 4.340 0.000 0.000 0.207 131 L C 2.025 178.616 176.870 -0.464 0.000 1.053 131 L CA 0.402 55.061 54.840 -0.302 0.000 0.841 131 L CB 0.032 41.886 42.059 -0.342 0.000 1.074 131 L HN 0.278 nan 8.230 nan 0.000 0.479 132 H N 0.638 119.318 119.070 -0.650 0.000 2.431 132 H HA 0.203 4.759 4.556 0.000 0.000 0.295 132 H C 2.063 177.221 175.328 -0.284 0.000 1.038 132 H CA 0.928 56.677 56.048 -0.498 0.000 1.360 132 H CB 0.361 29.860 29.762 -0.438 0.000 1.433 132 H HN 0.177 nan 8.280 nan 0.000 0.536 133 A N 0.682 123.331 122.820 -0.285 0.000 2.019 133 A HA -0.052 4.268 4.320 0.000 0.000 0.219 133 A C 2.340 179.905 177.584 -0.031 0.000 1.164 133 A CA 0.872 52.745 52.037 -0.274 0.000 0.644 133 A CB -0.817 17.950 19.000 -0.389 0.000 0.805 133 A HN 0.413 nan 8.150 nan 0.000 0.449 134 L N -0.297 120.960 121.223 0.056 0.000 2.549 134 L HA -0.117 4.223 4.340 0.000 0.000 0.229 134 L C 1.053 178.046 176.870 0.203 0.000 1.158 134 L CA 0.510 55.459 54.840 0.182 0.000 0.842 134 L CB -0.409 41.817 42.059 0.279 0.000 0.952 134 L HN 0.252 nan 8.230 nan 0.000 0.452 135 D N -0.479 119.894 120.400 -0.045 0.000 2.347 135 D HA -0.068 4.572 4.640 0.000 0.000 0.215 135 D C 1.355 177.129 176.300 -0.876 0.000 0.976 135 D CA 1.220 54.996 54.000 -0.373 0.000 0.884 135 D CB 0.224 40.640 40.800 -0.640 0.000 0.915 135 D HN 0.330 nan 8.370 nan 0.000 0.526 136 F N -0.908 118.816 119.950 -0.378 0.000 2.876 136 F HA 0.161 4.688 4.527 0.000 0.000 0.344 136 F C 0.419 176.181 175.800 -0.063 0.000 1.029 136 F CA -0.210 57.457 58.000 -0.555 0.000 1.154 136 F CB 0.950 39.507 39.000 -0.738 0.000 1.040 136 F HN -0.337 nan 8.300 nan 0.000 0.576 137 V N 1.256 121.281 119.914 0.185 0.000 2.398 137 V HA 0.249 4.369 4.120 0.000 0.000 0.286 137 V C -0.787 175.135 176.094 -0.286 0.000 1.026 137 V CA -0.792 61.522 62.300 0.023 0.000 0.868 137 V CB 1.574 33.347 31.823 -0.085 0.000 0.982 137 V HN -0.031 nan 8.190 nan 0.000 0.443 138 D N 4.138 124.267 120.400 -0.452 0.000 2.441 138 D HA 0.204 4.844 4.640 0.000 0.000 0.221 138 D C 0.815 176.556 176.300 -0.931 0.000 1.156 138 D CA -0.065 53.264 54.000 -1.119 0.000 0.896 138 D CB 1.723 42.201 40.800 -0.538 0.000 1.028 138 D HN 0.226 nan 8.370 nan 0.000 0.509 139 V N 3.387 122.558 119.914 -1.238 0.000 2.427 139 V HA -0.225 3.895 4.120 0.000 0.000 0.248 139 V C 2.543 178.354 176.094 -0.472 0.000 1.051 139 V CA 2.373 64.226 62.300 -0.745 0.000 1.048 139 V CB -0.692 30.549 31.823 -0.970 0.000 0.666 139 V HN 0.745 nan 8.190 nan 0.000 0.456 140 T N -1.397 112.940 114.554 -0.363 0.000 2.951 140 T HA -0.039 4.311 4.350 0.000 0.000 0.268 140 T C 1.846 176.473 174.700 -0.122 0.000 1.073 140 T CA 1.159 63.179 62.100 -0.133 0.000 1.134 140 T CB -0.338 68.547 68.868 0.028 0.000 0.884 140 T HN 0.440 nan 8.240 nan 0.000 0.479 141 A N 1.520 124.242 122.820 -0.164 0.000 2.067 141 A HA 0.457 4.777 4.320 0.000 0.000 0.219 141 A C 2.712 180.236 177.584 -0.100 0.000 1.158 141 A CA 1.284 53.259 52.037 -0.103 0.000 0.661 141 A CB -1.160 17.785 19.000 -0.091 0.000 0.801 141 A HN 0.713 nan 8.150 nan 0.000 0.452 142 A N -0.502 122.232 122.820 -0.142 0.000 2.024 142 A HA -0.051 4.269 4.320 0.000 0.000 0.220 142 A C 1.835 179.373 177.584 -0.077 0.000 1.164 142 A CA 1.491 53.459 52.037 -0.114 0.000 0.643 142 A CB -0.411 18.499 19.000 -0.151 0.000 0.806 142 A HN 0.386 nan 8.150 nan 0.000 0.451 143 L N 0.027 121.209 121.223 -0.068 0.000 2.191 143 L HA -0.133 4.207 4.340 0.000 0.000 0.212 143 L C 2.182 179.036 176.870 -0.026 0.000 1.103 143 L CA 2.190 57.008 54.840 -0.037 0.000 0.769 143 L CB -0.603 41.443 42.059 -0.023 0.000 0.908 143 L HN 0.619 nan 8.230 nan 0.000 0.438 144 K N -1.238 119.145 120.400 -0.028 0.000 2.404 144 K HA 0.351 4.671 4.320 0.000 0.000 0.194 144 K C 0.864 177.453 176.600 -0.018 0.000 1.023 144 K CA 0.208 56.485 56.287 -0.017 0.000 1.094 144 K CB 0.041 32.533 32.500 -0.012 0.000 0.841 144 K HN 0.109 nan 8.250 nan 0.000 0.523 145 A N 2.233 125.037 122.820 -0.027 0.000 2.406 145 A HA 0.027 4.347 4.320 0.000 0.000 0.243 145 A C -0.400 177.173 177.584 -0.019 0.000 1.082 145 A CA -0.289 51.733 52.037 -0.025 0.000 0.786 145 A CB 0.257 19.235 19.000 -0.036 0.000 1.029 145 A HN 0.273 nan 8.150 nan 0.000 0.495 146 D N 1.687 122.077 120.400 -0.016 0.000 2.339 146 D HA 0.258 4.898 4.640 0.000 0.000 0.241 146 D C -1.537 174.755 176.300 -0.014 0.000 1.183 146 D CA -1.982 52.011 54.000 -0.012 0.000 0.859 146 D CB 1.135 41.929 40.800 -0.009 0.000 1.067 146 D HN 0.155 nan 8.370 nan 0.000 0.484 147 P HA -0.099 nan 4.420 nan 0.000 0.220 147 P C 1.012 178.306 177.300 -0.010 0.000 1.148 147 P CA 0.727 63.819 63.100 -0.014 0.000 0.803 147 P CB 0.264 31.958 31.700 -0.010 0.000 0.782 148 A N 0.835 123.651 122.820 -0.007 0.000 1.898 148 A HA -0.168 4.152 4.320 0.000 0.000 0.216 148 A C 2.415 179.996 177.584 -0.006 0.000 1.181 148 A CA 1.747 53.781 52.037 -0.005 0.000 0.620 148 A CB -1.164 17.834 19.000 -0.003 0.000 0.819 148 A HN 0.137 nan 8.150 nan 0.000 0.442 149 K N -0.201 120.195 120.400 -0.007 0.000 2.057 149 K HA -0.075 4.245 4.320 0.000 0.000 0.207 149 K C 2.133 178.727 176.600 -0.009 0.000 1.049 149 K CA 1.220 57.502 56.287 -0.007 0.000 0.931 149 K CB -0.333 32.163 32.500 -0.008 0.000 0.714 149 K HN 0.338 nan 8.250 nan 0.000 0.440 150 A N 1.112 123.923 122.820 -0.014 0.000 1.902 150 A HA -0.097 4.223 4.320 0.000 0.000 0.217 150 A C 2.323 179.899 177.584 -0.014 0.000 1.181 150 A CA 1.839 53.864 52.037 -0.020 0.000 0.623 150 A CB -0.759 18.222 19.000 -0.032 0.000 0.818 150 A HN 0.495 nan 8.150 nan 0.000 0.443 151 A N -0.330 122.485 122.820 -0.008 0.000 1.933 151 A HA -0.148 4.172 4.320 0.000 0.000 0.218 151 A C 2.123 179.710 177.584 0.005 0.000 1.175 151 A CA 1.724 53.762 52.037 0.001 0.000 0.628 151 A CB -0.380 18.622 19.000 0.004 0.000 0.814 151 A HN 0.520 nan 8.150 nan 0.000 0.444 152 K N -0.417 119.983 120.400 0.001 0.000 2.057 152 K HA -0.058 4.262 4.320 0.000 0.000 0.206 152 K C 1.930 178.531 176.600 0.002 0.000 1.050 152 K CA 1.363 57.651 56.287 0.001 0.000 0.935 152 K CB -0.355 32.144 32.500 -0.002 0.000 0.715 152 K HN 0.336 nan 8.250 nan 0.000 0.439 153 V N 1.491 121.405 119.914 0.000 0.000 2.295 153 V HA -0.257 3.863 4.120 0.000 0.000 0.246 153 V C 2.405 178.505 176.094 0.011 0.000 1.049 153 V CA 2.071 64.372 62.300 0.002 0.000 1.024 153 V CB -0.722 31.100 31.823 -0.001 0.000 0.648 153 V HN 0.340 nan 8.190 nan 0.000 0.447 154 A N -0.421 122.409 122.820 0.016 0.000 1.940 154 A HA -0.204 4.116 4.320 0.000 0.000 0.219 154 A C 2.405 180.014 177.584 0.042 0.000 1.176 154 A CA 2.253 54.317 52.037 0.045 0.000 0.631 154 A CB -0.604 18.430 19.000 0.057 0.000 0.814 154 A HN 0.520 nan 8.150 nan 0.000 0.446 155 S N -0.051 115.663 115.700 0.023 0.000 2.489 155 S HA -0.067 4.403 4.470 0.000 0.000 0.228 155 S C 2.123 176.725 174.600 0.004 0.000 0.995 155 S CA 1.137 59.345 58.200 0.013 0.000 0.934 155 S CB -0.199 63.006 63.200 0.008 0.000 0.771 155 S HN 0.886 nan 8.310 nan 0.000 0.522 156 S N 2.063 117.765 115.700 0.003 0.000 2.470 156 S HA 0.075 4.545 4.470 0.000 0.000 0.225 156 S C 1.657 176.253 174.600 -0.007 0.000 1.006 156 S CA 0.309 58.507 58.200 -0.003 0.000 0.934 156 S CB -0.613 62.585 63.200 -0.003 0.000 0.778 156 S HN 0.719 nan 8.310 nan 0.000 0.517 157 I N -1.253 119.316 120.570 -0.002 0.000 3.860 157 I HA 0.424 4.594 4.170 0.000 0.000 0.319 157 I C 0.431 176.535 176.117 -0.021 0.000 1.279 157 I CA -0.377 60.917 61.300 -0.009 0.000 1.220 157 I CB 0.319 38.320 38.000 0.002 0.000 1.027 157 I HN 0.262 nan 8.210 nan 0.000 0.428 158 S N 1.007 116.696 115.700 -0.019 0.000 2.546 158 S HA 0.545 5.015 4.470 0.000 0.000 0.274 158 S C -2.187 172.393 174.600 -0.033 0.000 1.121 158 S CA -1.069 57.109 58.200 -0.037 0.000 0.887 158 S CB 1.817 64.992 63.200 -0.042 0.000 1.094 158 S HN -0.093 nan 8.310 nan 0.000 0.474 159 P HA -0.020 nan 4.420 nan 0.000 0.223 159 P C 0.215 177.495 177.300 -0.033 0.000 1.151 159 P CA 0.427 63.505 63.100 -0.036 0.000 0.787 159 P CB -0.042 31.633 31.700 -0.042 0.000 0.788 160 R N 1.480 121.955 120.500 -0.042 0.000 2.442 160 R HA 0.091 4.431 4.340 0.000 0.000 0.291 160 R C 0.025 176.318 176.300 -0.012 0.000 1.069 160 R CA -0.238 55.842 56.100 -0.033 0.000 1.022 160 R CB 0.322 30.590 30.300 -0.055 0.000 0.976 160 R HN -0.149 nan 8.270 nan 0.000 0.443 161 K N 3.340 123.736 120.400 -0.006 0.000 2.312 161 K HA 0.153 4.473 4.320 0.000 0.000 0.287 161 K C -0.613 175.996 176.600 0.016 0.000 1.062 161 K CA -0.061 56.229 56.287 0.004 0.000 0.934 161 K CB 1.639 34.139 32.500 -0.000 0.000 1.027 161 K HN 0.539 nan 8.250 nan 0.000 0.478 162 T N 1.971 116.540 114.554 0.026 0.000 2.807 162 T HA 0.322 4.672 4.350 0.000 0.000 0.279 162 T C 0.152 174.866 174.700 0.023 0.000 0.993 162 T CA -0.664 61.459 62.100 0.037 0.000 0.970 162 T CB 1.366 70.273 68.868 0.065 0.000 0.950 162 T HN 0.633 nan 8.240 nan 0.000 0.441 163 T N -0.272 114.293 114.554 0.020 0.000 2.948 163 T HA 0.691 5.041 4.350 0.000 0.000 0.285 163 T C 1.705 176.411 174.700 0.009 0.000 1.019 163 T CA -0.393 61.714 62.100 0.012 0.000 1.013 163 T CB 1.313 70.187 68.868 0.009 0.000 1.117 163 T HN 0.451 nan 8.240 nan 0.000 0.533 164 A N 0.881 123.704 122.820 0.005 0.000 1.908 164 A HA 0.132 4.452 4.320 0.000 0.000 0.218 164 A C 2.570 180.156 177.584 0.003 0.000 1.181 164 A CA 2.056 54.094 52.037 0.002 0.000 0.627 164 A CB -1.551 17.449 19.000 0.000 0.000 0.818 164 A HN 1.283 nan 8.150 nan 0.000 0.445 165 A N -0.322 122.502 122.820 0.005 0.000 1.930 165 A HA -0.138 4.182 4.320 0.000 0.000 0.217 165 A C 1.764 179.353 177.584 0.009 0.000 1.175 165 A CA 1.689 53.730 52.037 0.006 0.000 0.627 165 A CB -0.509 18.495 19.000 0.007 0.000 0.815 165 A HN 0.465 nan 8.150 nan 0.000 0.443 166 D N 0.191 120.599 120.400 0.013 0.000 2.104 166 D HA -0.141 4.499 4.640 0.000 0.000 0.194 166 D C 1.832 178.142 176.300 0.016 0.000 0.994 166 D CA 1.256 55.268 54.000 0.020 0.000 0.830 166 D CB -0.240 40.577 40.800 0.029 0.000 0.959 166 D HN 0.462 nan 8.370 nan 0.000 0.452 167 L N 0.229 121.457 121.223 0.008 0.000 2.341 167 L HA -0.003 4.337 4.340 0.000 0.000 0.214 167 L C 2.372 179.238 176.870 -0.007 0.000 1.115 167 L CA 0.389 55.226 54.840 -0.005 0.000 0.820 167 L CB -0.110 41.939 42.059 -0.018 0.000 0.944 167 L HN -0.045 nan 8.230 nan 0.000 0.452 168 K N 0.970 121.369 120.400 -0.002 0.000 2.097 168 K HA -0.158 4.162 4.320 0.000 0.000 0.205 168 K C 2.134 178.735 176.600 0.003 0.000 1.050 168 K CA 1.237 57.523 56.287 -0.001 0.000 0.938 168 K CB -0.009 32.492 32.500 0.001 0.000 0.718 168 K HN 0.237 nan 8.250 nan 0.000 0.442 169 A N 0.627 123.451 122.820 0.007 0.000 1.933 169 A HA -0.110 4.210 4.320 0.000 0.000 0.218 169 A C 2.187 179.777 177.584 0.010 0.000 1.175 169 A CA 1.607 53.651 52.037 0.011 0.000 0.628 169 A CB -0.545 18.463 19.000 0.014 0.000 0.814 169 A HN 0.179 nan 8.150 nan 0.000 0.444 170 V N -0.341 119.576 119.914 0.006 0.000 2.358 170 V HA -0.279 3.841 4.120 0.000 0.000 0.246 170 V C 2.661 178.750 176.094 -0.008 0.000 1.047 170 V CA 2.159 64.459 62.300 0.000 0.000 1.035 170 V CB -0.750 31.069 31.823 -0.006 0.000 0.658 170 V HN 0.715 nan 8.190 nan 0.000 0.452 171 Q N -0.331 119.462 119.800 -0.012 0.000 2.096 171 Q HA -0.263 4.077 4.340 0.000 0.000 0.204 171 Q C 2.001 178.004 176.000 0.005 0.000 0.982 171 Q CA 2.033 57.828 55.803 -0.013 0.000 0.850 171 Q CB -0.096 28.632 28.738 -0.016 0.000 0.901 171 Q HN 0.625 nan 8.270 nan 0.000 0.422 172 D N 0.072 120.478 120.400 0.011 0.000 2.117 172 D HA -0.156 4.484 4.640 0.000 0.000 0.197 172 D C 1.751 178.073 176.300 0.037 0.000 0.987 172 D CA 1.149 55.162 54.000 0.022 0.000 0.829 172 D CB -0.078 40.734 40.800 0.019 0.000 0.961 172 D HN 0.053 nan 8.370 nan 0.000 0.460 173 K N 0.761 121.181 120.400 0.034 0.000 2.057 173 K HA -0.015 4.305 4.320 0.000 0.000 0.207 173 K C 2.037 178.685 176.600 0.080 0.000 1.049 173 K CA 0.524 56.841 56.287 0.051 0.000 0.931 173 K CB -0.464 32.054 32.500 0.030 0.000 0.714 173 K HN 0.090 nan 8.250 nan 0.000 0.440 174 L N 0.506 121.759 121.223 0.050 0.000 2.093 174 L HA -0.146 4.194 4.340 0.000 0.000 0.208 174 L C 2.313 179.266 176.870 0.139 0.000 1.085 174 L CA 1.532 56.416 54.840 0.074 0.000 0.755 174 L CB -0.365 41.689 42.059 -0.008 0.000 0.904 174 L HN 0.316 nan 8.230 nan 0.000 0.435 175 K N -0.704 119.745 120.400 0.080 0.000 2.026 175 K HA -0.188 4.132 4.320 0.000 0.000 0.208 175 K C 1.828 178.483 176.600 0.093 0.000 1.048 175 K CA 2.044 58.374 56.287 0.072 0.000 0.929 175 K CB -0.013 32.511 32.500 0.039 0.000 0.713 175 K HN 0.265 nan 8.250 nan 0.000 0.439 176 T N 0.836 115.451 114.554 0.101 0.000 2.788 176 T HA -0.154 4.196 4.350 0.000 0.000 0.268 176 T C 1.379 176.159 174.700 0.134 0.000 1.044 176 T CA 1.378 63.536 62.100 0.097 0.000 1.139 176 T CB -0.329 68.594 68.868 0.092 0.000 0.867 176 T HN 0.288 nan 8.240 nan 0.000 0.454 177 F N 1.598 121.570 119.950 0.036 0.000 2.075 177 F HA -0.139 4.388 4.527 0.000 0.000 0.297 177 F C 2.256 178.089 175.800 0.056 0.000 1.113 177 F CA 1.099 59.132 58.000 0.054 0.000 1.218 177 F CB -0.381 38.668 39.000 0.081 0.000 0.984 177 F HN -0.104 nan 8.300 nan 0.000 0.472 178 V N 0.249 120.266 119.914 0.171 0.000 2.427 178 V HA -0.266 3.854 4.120 0.000 0.000 0.248 178 V C 2.098 178.176 176.094 -0.026 0.000 1.051 178 V CA 2.144 64.476 62.300 0.052 0.000 1.048 178 V CB -0.703 31.190 31.823 0.117 0.000 0.666 178 V HN 0.336 nan 8.190 nan 0.000 0.456 179 E N 0.310 120.512 120.200 0.003 0.000 2.333 179 E HA -0.187 4.163 4.350 0.000 0.000 0.198 179 E C 2.174 178.749 176.600 -0.041 0.000 1.007 179 E CA 1.534 57.928 56.400 -0.010 0.000 0.845 179 E CB -0.146 29.559 29.700 0.008 0.000 0.766 179 E HN 0.833 nan 8.360 nan 0.000 0.507 180 T N -3.494 111.010 114.554 -0.084 0.000 3.085 180 T HA 0.085 4.435 4.350 0.000 0.000 0.263 180 T C 1.650 176.283 174.700 -0.112 0.000 1.127 180 T CA 0.639 62.680 62.100 -0.099 0.000 1.103 180 T CB 0.234 69.019 68.868 -0.139 0.000 0.921 180 T HN 0.271 nan 8.240 nan 0.000 0.510 181 G N 1.167 109.894 108.800 -0.123 0.000 2.205 181 G HA2 -0.266 3.694 3.960 0.000 0.000 0.261 181 G HA3 -0.266 3.694 3.960 0.000 0.000 0.261 181 G C 0.085 174.904 174.900 -0.134 0.000 0.980 181 G CA 0.169 45.210 45.100 -0.098 0.000 0.632 181 G HN 0.655 nan 8.290 nan 0.000 0.533 182 Q N 0.613 120.280 119.800 -0.223 0.000 2.571 182 Q HA 0.491 4.831 4.340 0.000 0.000 0.222 182 Q C 1.056 176.814 176.000 -0.403 0.000 1.167 182 Q CA -0.728 54.929 55.803 -0.244 0.000 0.966 182 Q CB 0.624 29.233 28.738 -0.216 0.000 1.274 182 Q HN 0.209 nan 8.270 nan 0.000 0.552 183 L N 1.098 122.206 121.223 -0.191 0.000 2.478 183 L HA 0.014 4.354 4.340 0.000 0.000 0.223 183 L C 1.432 178.397 176.870 0.160 0.000 1.140 183 L CA 1.458 56.292 54.840 -0.009 0.000 0.842 183 L CB -1.829 40.307 42.059 0.129 0.000 0.953 183 L HN 0.852 nan 8.230 nan 0.000 0.452 184 G N 1.254 110.077 108.800 0.040 0.000 2.622 184 G HA2 -0.344 3.616 3.960 0.000 0.000 0.307 184 G HA3 -0.344 3.616 3.960 0.000 0.000 0.307 184 G C -1.259 173.617 174.900 -0.039 0.000 1.226 184 G CA 0.394 45.529 45.100 0.058 0.000 0.997 184 G HN 0.258 nan 8.290 nan 0.000 0.551 185 P HA 0.159 nan 4.420 nan 0.000 0.234 185 P C 1.099 178.174 177.300 -0.374 0.000 1.167 185 P CA 1.034 63.926 63.100 -0.347 0.000 0.763 185 P CB -0.169 31.224 31.700 -0.512 0.000 0.835 186 F N -1.232 118.782 119.950 0.108 0.000 2.727 186 F HA 0.159 4.686 4.527 0.000 0.000 0.302 186 F C 1.031 176.805 175.800 -0.045 0.000 1.097 186 F CA -0.302 57.729 58.000 0.051 0.000 1.330 186 F CB -1.379 37.730 39.000 0.180 0.000 1.084 186 F HN -0.311 nan 8.300 nan 0.000 0.578 187 T N 1.684 116.281 114.554 0.071 0.000 2.871 187 T HA -0.050 4.300 4.350 0.000 0.000 0.296 187 T C 0.733 175.407 174.700 -0.044 0.000 0.998 187 T CA 0.341 62.448 62.100 0.011 0.000 1.162 187 T CB -0.357 68.508 68.868 -0.005 0.000 0.947 187 T HN 0.469 nan 8.240 nan 0.000 0.536 188 N N -0.210 118.459 118.700 -0.053 0.000 2.714 188 N HA -0.202 4.538 4.740 0.000 0.000 0.250 188 N C 0.189 175.610 175.510 -0.149 0.000 1.117 188 N CA -0.013 52.998 53.050 -0.063 0.000 0.719 188 N CB -0.836 37.637 38.487 -0.023 0.000 1.081 188 N HN 0.848 nan 8.380 nan 0.000 0.557 189 A N -0.189 122.455 122.820 -0.294 0.000 2.507 189 A HA 0.059 4.379 4.320 0.000 0.000 0.235 189 A C 0.889 178.203 177.584 -0.451 0.000 1.070 189 A CA 0.163 51.848 52.037 -0.587 0.000 0.768 189 A CB 0.095 18.334 19.000 -1.269 0.000 1.011 189 A HN 0.444 nan 8.150 nan 0.000 0.502 190 Y N 0.689 120.764 120.300 -0.375 0.000 2.403 190 Y HA -0.217 4.333 4.550 0.000 0.000 0.291 190 Y C 1.617 177.403 175.900 -0.189 0.000 1.143 190 Y CA 1.242 59.261 58.100 -0.135 0.000 1.257 190 Y CB -0.264 38.211 38.460 0.026 0.000 0.984 190 Y HN 0.866 nan 8.280 nan 0.000 0.550 191 F N -1.166 118.654 119.950 -0.217 0.000 2.743 191 F HA 0.190 4.717 4.527 0.000 0.000 0.297 191 F C 0.395 176.079 175.800 -0.195 0.000 1.131 191 F CA -0.514 57.163 58.000 -0.539 0.000 1.426 191 F CB -1.072 37.303 39.000 -1.042 0.000 1.116 191 F HN -0.266 nan 8.300 nan 0.000 0.583 192 L N 2.154 123.277 121.223 -0.166 0.000 2.540 192 L HA 0.255 4.595 4.340 0.000 0.000 0.276 192 L C 1.506 178.402 176.870 0.042 0.000 1.212 192 L CA 0.922 55.758 54.840 -0.008 0.000 0.893 192 L CB -0.026 41.987 42.059 -0.076 0.000 1.138 192 L HN 0.653 nan 8.230 nan 0.000 0.491 193 G N 1.989 110.827 108.800 0.063 0.000 2.176 193 G HA2 -0.070 3.890 3.960 0.000 0.000 0.253 193 G HA3 -0.070 3.890 3.960 0.000 0.000 0.253 193 G C 0.562 175.500 174.900 0.063 0.000 0.979 193 G CA 0.047 45.176 45.100 0.050 0.000 0.641 193 G HN 1.538 nan 8.290 nan 0.000 0.530 194 G N -1.223 107.630 108.800 0.089 0.000 2.675 194 G HA2 0.418 4.378 3.960 0.000 0.000 0.686 194 G HA3 0.418 4.378 3.960 0.000 0.000 0.686 194 G C -0.913 174.093 174.900 0.176 0.000 1.215 194 G CA 0.409 45.578 45.100 0.116 0.000 0.777 194 G HN 2.064 nan 8.290 nan 0.000 0.638 195 H N 3.014 122.161 119.070 0.128 0.000 3.099 195 H HA 0.442 4.998 4.556 0.000 0.000 0.342 195 H C -1.946 173.539 175.328 0.263 0.000 1.054 195 H CA -0.894 55.271 56.048 0.195 0.000 1.328 195 H CB 2.526 32.449 29.762 0.268 0.000 1.876 195 H HN 0.322 nan 8.280 nan 0.000 0.495 196 P HA -0.017 nan 4.420 nan 0.000 0.225 196 P C 0.750 178.360 177.300 0.517 0.000 1.148 196 P CA 1.006 64.295 63.100 0.315 0.000 0.779 196 P CB 0.209 32.002 31.700 0.154 0.000 0.780 197 A N -1.975 121.281 122.820 0.727 0.000 2.308 197 A HA 0.125 4.445 4.320 0.000 0.000 0.217 197 A C 0.134 177.703 177.584 -0.026 0.000 1.216 197 A CA -0.200 52.047 52.037 0.350 0.000 0.864 197 A CB -0.677 18.479 19.000 0.261 0.000 0.902 197 A HN 0.061 nan 8.150 nan 0.000 0.499 198 Y N -0.696 119.707 120.300 0.171 0.000 2.341 198 Y HA 0.397 4.947 4.550 0.000 0.000 0.340 198 Y C 0.467 176.525 175.900 0.262 0.000 0.997 198 Y CA -0.139 58.040 58.100 0.132 0.000 1.149 198 Y CB 0.775 39.323 38.460 0.147 0.000 1.171 198 Y HN 0.301 nan 8.280 nan 0.000 0.494 199 Y N 0.972 121.400 120.300 0.213 0.000 2.430 199 Y HA 0.213 4.763 4.550 0.000 0.000 0.248 199 Y C 0.178 176.059 175.900 -0.032 0.000 1.108 199 Y CA -0.797 57.288 58.100 -0.026 0.000 1.264 199 Y CB -0.000 38.232 38.460 -0.379 0.000 1.172 199 Y HN 0.373 nan 8.280 nan 0.000 0.520 200 L N 2.180 123.522 121.223 0.198 0.000 2.439 200 L HA 0.115 4.455 4.340 0.000 0.000 0.269 200 L C 0.451 177.370 176.870 0.081 0.000 1.179 200 L CA -0.384 54.528 54.840 0.119 0.000 0.828 200 L CB 0.033 42.176 42.059 0.141 0.000 1.106 200 L HN 0.225 nan 8.230 nan 0.000 0.467 201 D N 2.590 123.016 120.400 0.043 0.000 2.383 201 D HA 0.199 4.839 4.640 0.000 0.000 0.248 201 D C -2.133 174.171 176.300 0.007 0.000 1.170 201 D CA -1.799 52.215 54.000 0.024 0.000 0.977 201 D CB 0.067 40.873 40.800 0.011 0.000 1.120 201 D HN 0.233 nan 8.370 nan 0.000 0.481 202 P HA -0.133 nan 4.420 nan 0.000 0.216 202 P C 0.860 178.139 177.300 -0.034 0.000 1.150 202 P CA 1.465 64.550 63.100 -0.025 0.000 0.837 202 P CB 0.189 31.877 31.700 -0.021 0.000 0.786 203 E N -1.277 118.908 120.200 -0.024 0.000 2.072 203 E HA -0.100 4.250 4.350 0.000 0.000 0.191 203 E C 1.990 178.570 176.600 -0.034 0.000 0.985 203 E CA 1.482 57.864 56.400 -0.029 0.000 0.801 203 E CB -1.436 28.252 29.700 -0.020 0.000 0.750 203 E HN 0.197 nan 8.360 nan 0.000 0.452 204 T N 0.522 115.065 114.554 -0.018 0.000 2.788 204 T HA -0.119 4.231 4.350 0.000 0.000 0.268 204 T C 1.482 176.168 174.700 -0.023 0.000 1.044 204 T CA 1.430 63.523 62.100 -0.010 0.000 1.139 204 T CB -0.403 68.476 68.868 0.018 0.000 0.867 204 T HN 0.206 nan 8.240 nan 0.000 0.454 205 N N 0.718 119.397 118.700 -0.035 0.000 2.166 205 N HA -0.041 4.699 4.740 0.000 0.000 0.186 205 N C 1.683 177.128 175.510 -0.109 0.000 1.019 205 N CA 0.596 53.599 53.050 -0.078 0.000 0.856 205 N CB -0.222 38.197 38.487 -0.114 0.000 0.993 205 N HN 0.140 nan 8.380 nan 0.000 0.426 206 L N 1.112 122.277 121.223 -0.098 0.000 2.056 206 L HA -0.013 4.327 4.340 0.000 0.000 0.207 206 L C 1.685 178.474 176.870 -0.135 0.000 1.078 206 L CA 1.379 56.154 54.840 -0.107 0.000 0.749 206 L CB -0.387 41.623 42.059 -0.082 0.000 0.901 206 L HN 0.186 nan 8.230 nan 0.000 0.433 207 I N -0.262 120.218 120.570 -0.149 0.000 2.179 207 I HA -0.300 3.870 4.170 0.000 0.000 0.242 207 I C 2.589 178.496 176.117 -0.349 0.000 1.088 207 I CA 1.302 62.426 61.300 -0.292 0.000 1.357 207 I CB -0.684 37.190 38.000 -0.210 0.000 1.051 207 I HN 0.353 nan 8.210 nan 0.000 0.409 208 A N 0.111 122.868 122.820 -0.106 0.000 1.933 208 A HA -0.184 4.136 4.320 0.000 0.000 0.218 208 A C 2.382 180.022 177.584 0.094 0.000 1.175 208 A CA 2.341 54.419 52.037 0.069 0.000 0.628 208 A CB -1.020 18.031 19.000 0.085 0.000 0.814 208 A HN 0.394 nan 8.150 nan 0.000 0.444 209 T N 0.232 114.763 114.554 -0.039 0.000 2.777 209 T HA 0.030 4.380 4.350 0.000 0.000 0.266 209 T C 2.262 176.980 174.700 0.031 0.000 1.040 209 T CA 1.400 63.466 62.100 -0.057 0.000 1.141 209 T CB -0.458 68.301 68.868 -0.182 0.000 0.868 209 T HN 0.594 nan 8.240 nan 0.000 0.444 210 A N 1.639 124.438 122.820 -0.035 0.000 1.917 210 A HA -0.232 4.088 4.320 0.000 0.000 0.219 210 A C 2.066 179.747 177.584 0.161 0.000 1.182 210 A CA 1.820 53.868 52.037 0.018 0.000 0.633 210 A CB -0.826 18.132 19.000 -0.069 0.000 0.819 210 A HN 0.516 nan 8.150 nan 0.000 0.448 211 H N -2.856 116.259 119.070 0.074 0.000 2.470 211 H HA -0.020 4.536 4.556 0.000 0.000 0.289 211 H C 1.746 176.948 175.328 -0.210 0.000 1.033 211 H CA 0.899 56.937 56.048 -0.017 0.000 1.331 211 H CB -0.732 29.054 29.762 0.040 0.000 1.414 211 H HN 0.742 nan 8.280 nan 0.000 0.545 212 Y N 0.856 121.133 120.300 -0.038 0.000 2.097 212 Y HA -0.250 4.300 4.550 0.000 0.000 0.282 212 Y C 1.990 177.946 175.900 0.093 0.000 1.152 212 Y CA 1.118 59.227 58.100 0.015 0.000 1.136 212 Y CB -0.275 38.288 38.460 0.172 0.000 0.975 212 Y HN 0.033 nan 8.280 nan 0.000 0.498 213 L N 1.001 122.428 121.223 0.341 0.000 2.017 213 L HA -0.203 4.137 4.340 0.000 0.000 0.208 213 L C 2.483 179.386 176.870 0.055 0.000 1.073 213 L CA 2.066 57.021 54.840 0.192 0.000 0.745 213 L CB -1.441 40.709 42.059 0.151 0.000 0.894 213 L HN 0.408 nan 8.230 nan 0.000 0.432 214 E N -0.689 119.549 120.200 0.063 0.000 2.085 214 E HA -0.239 4.111 4.350 0.000 0.000 0.194 214 E C 2.134 178.644 176.600 -0.150 0.000 0.994 214 E CA 1.225 57.632 56.400 0.011 0.000 0.801 214 E CB 0.020 29.803 29.700 0.139 0.000 0.743 214 E HN 0.462 nan 8.360 nan 0.000 0.453 215 A N 0.662 123.352 122.820 -0.215 0.000 2.019 215 A HA -0.124 4.196 4.320 0.000 0.000 0.219 215 A C 2.113 179.605 177.584 -0.154 0.000 1.164 215 A CA 0.813 52.611 52.037 -0.398 0.000 0.644 215 A CB -0.494 18.218 19.000 -0.480 0.000 0.805 215 A HN 0.287 nan 8.150 nan 0.000 0.449 216 L N -1.182 119.977 121.223 -0.107 0.000 2.083 216 L HA -0.185 4.155 4.340 0.000 0.000 0.209 216 L C 2.841 179.609 176.870 -0.170 0.000 1.083 216 L CA 1.399 56.100 54.840 -0.231 0.000 0.752 216 L CB -0.370 41.526 42.059 -0.272 0.000 0.899 216 L HN 0.364 nan 8.230 nan 0.000 0.433 217 R N -0.631 119.778 120.500 -0.152 0.000 2.112 217 R HA -0.046 4.294 4.340 0.000 0.000 0.216 217 R C 2.210 178.407 176.300 -0.172 0.000 1.080 217 R CA 0.619 56.639 56.100 -0.133 0.000 0.996 217 R CB -0.290 29.950 30.300 -0.100 0.000 0.902 217 R HN 0.196 nan 8.270 nan 0.000 0.449 218 L N 2.081 123.133 121.223 -0.285 0.000 2.079 218 L HA -0.237 4.103 4.340 0.000 0.000 0.210 218 L C 2.226 178.951 176.870 -0.243 0.000 1.081 218 L CA 1.792 56.415 54.840 -0.362 0.000 0.752 218 L CB -0.242 41.329 42.059 -0.814 0.000 0.896 218 L HN 0.113 nan 8.230 nan 0.000 0.433 219 Q N -1.280 118.405 119.800 -0.192 0.000 2.291 219 Q HA -0.126 4.214 4.340 0.000 0.000 0.206 219 Q C 1.817 177.862 176.000 0.075 0.000 0.976 219 Q CA 2.008 57.806 55.803 -0.008 0.000 0.875 219 Q CB -1.307 27.416 28.738 -0.024 0.000 0.927 219 Q HN 0.358 nan 8.270 nan 0.000 0.450 220 V N 1.038 120.937 119.914 -0.025 0.000 2.332 220 V HA -0.295 3.825 4.120 0.000 0.000 0.248 220 V C 2.148 178.209 176.094 -0.055 0.000 1.055 220 V CA 2.336 64.612 62.300 -0.039 0.000 1.038 220 V CB -0.540 31.246 31.823 -0.062 0.000 0.651 220 V HN 0.411 nan 8.190 nan 0.000 0.450 221 K N 0.100 120.459 120.400 -0.070 0.000 2.097 221 K HA -0.045 4.275 4.320 0.000 0.000 0.205 221 K C 2.302 178.856 176.600 -0.075 0.000 1.050 221 K CA 1.323 57.561 56.287 -0.082 0.000 0.938 221 K CB -0.407 32.034 32.500 -0.098 0.000 0.718 221 K HN 0.469 nan 8.250 nan 0.000 0.442 222 A N 1.400 124.205 122.820 -0.026 0.000 1.933 222 A HA -0.106 4.214 4.320 0.000 0.000 0.218 222 A C 2.328 179.908 177.584 -0.007 0.000 1.175 222 A CA 1.838 53.891 52.037 0.027 0.000 0.628 222 A CB -0.613 18.466 19.000 0.132 0.000 0.814 222 A HN 0.326 nan 8.150 nan 0.000 0.444 223 A N -0.458 122.317 122.820 -0.074 0.000 1.929 223 A HA -0.081 4.239 4.320 0.000 0.000 0.216 223 A C 2.205 179.690 177.584 -0.165 0.000 1.176 223 A CA 1.441 53.316 52.037 -0.268 0.000 0.628 223 A CB -0.459 18.273 19.000 -0.445 0.000 0.816 223 A HN 0.539 nan 8.150 nan 0.000 0.444 224 R N -0.122 120.303 120.500 -0.125 0.000 2.127 224 R HA -0.129 4.211 4.340 0.000 0.000 0.238 224 R C 2.182 178.406 176.300 -0.126 0.000 1.134 224 R CA 1.388 57.421 56.100 -0.112 0.000 0.975 224 R CB -0.397 29.846 30.300 -0.095 0.000 0.865 224 R HN 0.430 nan 8.270 nan 0.000 0.447 225 A N 0.906 123.638 122.820 -0.146 0.000 1.940 225 A HA -0.204 4.116 4.320 0.000 0.000 0.219 225 A C 2.172 179.708 177.584 -0.080 0.000 1.176 225 A CA 1.754 53.677 52.037 -0.189 0.000 0.631 225 A CB -0.442 18.354 19.000 -0.340 0.000 0.814 225 A HN 0.386 nan 8.150 nan 0.000 0.446 226 M N -0.739 118.809 119.600 -0.086 0.000 2.229 226 M HA -0.114 4.366 4.480 0.000 0.000 0.264 226 M C 2.362 178.546 176.300 -0.194 0.000 1.063 226 M CA 1.361 56.584 55.300 -0.128 0.000 1.114 226 M CB -0.295 32.234 32.600 -0.117 0.000 1.387 226 M HN 0.465 nan 8.290 nan 0.000 0.420 227 A N -0.375 122.357 122.820 -0.146 0.000 2.119 227 A HA 0.009 4.329 4.320 0.000 0.000 0.216 227 A C 2.184 179.694 177.584 -0.123 0.000 1.152 227 A CA 0.664 52.630 52.037 -0.119 0.000 0.708 227 A CB -0.670 18.283 19.000 -0.079 0.000 0.805 227 A HN 0.269 nan 8.150 nan 0.000 0.460 228 V N -0.921 118.892 119.914 -0.169 0.000 2.287 228 V HA -0.257 3.863 4.120 0.000 0.000 0.248 228 V C 2.188 178.226 176.094 -0.093 0.000 1.053 228 V CA 2.229 64.426 62.300 -0.172 0.000 1.027 228 V CB -0.868 30.780 31.823 -0.291 0.000 0.646 228 V HN 0.601 nan 8.190 nan 0.000 0.447 229 F N 0.462 120.296 119.950 -0.193 0.000 2.530 229 F HA 0.323 4.850 4.527 0.000 0.000 0.292 229 F C 2.148 177.635 175.800 -0.521 0.000 1.109 229 F CA 0.521 58.312 58.000 -0.349 0.000 1.450 229 F CB -1.038 37.649 39.000 -0.521 0.000 1.114 229 F HN 0.192 nan 8.300 nan 0.000 0.560 230 G N -1.456 107.086 108.800 -0.430 0.000 3.393 230 G HA2 0.439 4.399 3.960 0.000 0.000 0.255 230 G HA3 0.439 4.399 3.960 0.000 0.000 0.255 230 G C 1.185 176.062 174.900 -0.039 0.000 1.097 230 G CA 0.535 45.290 45.100 -0.576 0.000 0.780 230 G HN 0.394 nan 8.290 nan 0.000 0.540 231 A N -0.265 122.547 122.820 -0.013 0.000 2.125 231 A HA -0.153 4.167 4.320 0.000 0.000 0.226 231 A C 0.777 178.376 177.584 0.025 0.000 0.600 231 A CA 1.830 53.896 52.037 0.048 0.000 1.189 231 A CB -1.646 17.423 19.000 0.114 0.000 1.399 231 A HN 1.386 nan 8.150 nan 0.000 0.704 232 K N -0.745 119.669 120.400 0.023 0.000 2.625 232 K HA 0.604 4.924 4.320 0.000 0.000 0.284 232 K C -1.150 175.452 176.600 0.003 0.000 0.984 232 K CA -0.090 56.203 56.287 0.011 0.000 0.865 232 K CB 0.876 33.397 32.500 0.034 0.000 1.468 232 K HN 0.847 nan 8.250 nan 0.000 0.407 233 N N 1.300 119.979 118.700 -0.035 0.000 2.310 233 N HA 0.493 5.233 4.740 0.000 0.000 0.292 233 N C -2.723 172.737 175.510 -0.083 0.000 1.049 233 N CA -1.116 51.897 53.050 -0.061 0.000 0.849 233 N CB 1.891 40.306 38.487 -0.120 0.000 1.532 233 N HN 0.498 nan 8.380 nan 0.000 0.479 234 P HA 0.268 nan 4.420 nan 0.000 0.274 234 P C -1.297 175.983 177.300 -0.034 0.000 1.246 234 P CA 0.254 63.267 63.100 -0.144 0.000 0.795 234 P CB 0.272 31.766 31.700 -0.344 0.000 1.006 235 H N -2.165 116.956 119.070 0.084 0.000 3.398 235 H HA -0.089 4.468 4.556 0.000 0.000 0.352 235 H C 0.097 175.509 175.328 0.139 0.000 1.083 235 H CA -0.088 56.030 56.048 0.117 0.000 1.109 235 H CB -1.403 28.409 29.762 0.084 0.000 1.546 235 H HN 0.604 nan 8.280 nan 0.000 0.385 236 T N 0.170 114.920 114.554 0.326 0.000 2.748 236 T HA 0.166 4.517 4.350 0.000 0.000 0.304 236 T C 0.660 175.559 174.700 0.332 0.000 1.041 236 T CA -0.330 61.960 62.100 0.316 0.000 1.033 236 T CB 2.061 71.175 68.868 0.410 0.000 0.995 236 T HN 0.645 nan 8.240 nan 0.000 0.536 237 Q N 0.598 120.620 119.800 0.370 0.000 3.712 237 Q HA 0.379 4.719 4.340 0.000 0.000 0.242 237 Q C -0.861 175.341 176.000 0.336 0.000 0.837 237 Q CA -0.552 55.424 55.803 0.288 0.000 0.826 237 Q CB 0.121 28.980 28.738 0.202 0.000 1.529 237 Q HN 0.862 nan 8.270 nan 0.000 0.405 238 F N -2.040 117.970 119.950 0.101 0.000 2.974 238 F HA 0.379 4.906 4.527 0.000 0.000 0.357 238 F C 0.025 175.864 175.800 0.065 0.000 1.114 238 F CA -0.364 57.677 58.000 0.068 0.000 1.099 238 F CB 0.402 39.422 39.000 0.034 0.000 1.205 238 F HN 0.012 nan 8.300 nan 0.000 0.535 239 T N 1.577 115.779 114.554 -0.586 0.000 2.907 239 T HA 0.728 5.078 4.350 0.000 0.000 0.284 239 T C -0.286 174.304 174.700 -0.183 0.000 1.004 239 T CA -0.224 61.583 62.100 -0.489 0.000 1.063 239 T CB 2.091 70.644 68.868 -0.525 0.000 0.992 239 T HN 0.553 nan 8.240 nan 0.000 0.483 240 V N -0.854 118.984 119.914 -0.127 0.000 3.114 240 V HA 0.701 4.821 4.120 0.000 0.000 0.308 240 V C -0.075 175.956 176.094 -0.105 0.000 1.168 240 V CA -1.451 60.828 62.300 -0.035 0.000 1.015 240 V CB 1.422 33.293 31.823 0.081 0.000 1.050 240 V HN 0.806 nan 8.190 nan 0.000 0.433 241 V N 2.557 122.382 119.914 -0.149 0.000 2.617 241 V HA 0.449 4.569 4.120 0.000 0.000 0.304 241 V C 1.714 177.599 176.094 -0.347 0.000 1.040 241 V CA 1.890 63.922 62.300 -0.447 0.000 1.149 241 V CB -0.104 31.126 31.823 -0.989 0.000 0.914 241 V HN 1.989 nan 8.190 nan 0.000 0.487 242 G N 2.818 111.430 108.800 -0.314 0.000 2.217 242 G HA2 0.078 4.038 3.960 0.000 0.000 0.246 242 G HA3 0.078 4.038 3.960 0.000 0.000 0.246 242 G C 0.666 175.572 174.900 0.010 0.000 0.990 242 G CA 0.086 45.155 45.100 -0.053 0.000 0.627 242 G HN 1.940 nan 8.290 nan 0.000 0.522 243 G N -1.934 106.844 108.800 -0.037 0.000 2.530 243 G HA2 0.587 4.547 3.960 0.000 0.000 0.081 243 G HA3 0.587 4.547 3.960 0.000 0.000 0.081 243 G C -0.290 174.573 174.900 -0.062 0.000 1.062 243 G CA 1.180 46.260 45.100 -0.033 0.000 1.108 243 G HN 1.941 nan 8.290 nan 0.000 0.466 244 V N -2.481 117.404 119.914 -0.049 0.000 3.160 244 V HA 0.869 4.989 4.120 0.000 0.000 0.310 244 V C 0.885 176.945 176.094 -0.057 0.000 1.181 244 V CA 0.757 63.035 62.300 -0.036 0.000 1.047 244 V CB 1.273 33.146 31.823 0.083 0.000 1.068 244 V HN 1.723 nan 8.190 nan 0.000 0.441 245 T N -2.813 111.743 114.554 0.003 0.000 3.001 245 T HA 0.065 4.415 4.350 0.000 0.000 0.251 245 T C 0.797 175.457 174.700 -0.066 0.000 1.040 245 T CA 0.794 62.890 62.100 -0.008 0.000 0.985 245 T CB -0.735 68.197 68.868 0.106 0.000 1.011 245 T HN 1.423 nan 8.240 nan 0.000 0.509 246 C N 2.081 121.355 119.300 -0.043 0.000 2.400 246 C HA 0.530 4.991 4.460 0.000 0.000 0.457 246 C C 1.365 176.307 174.990 -0.080 0.000 1.020 246 C CA -1.615 57.407 59.018 0.007 0.000 1.258 246 C CB -2.703 25.074 27.740 0.061 0.000 1.532 246 C HN 0.415 nan 8.230 nan 0.000 0.537 247 Y N 0.376 120.715 120.300 0.065 0.000 2.315 247 Y HA -0.177 4.373 4.550 0.000 0.000 0.288 247 Y C 2.240 178.164 175.900 0.041 0.000 1.154 247 Y CA 2.061 60.189 58.100 0.047 0.000 1.229 247 Y CB -0.235 38.252 38.460 0.044 0.000 0.980 247 Y HN 0.566 nan 8.280 nan 0.000 0.540 248 D N -0.250 120.256 120.400 0.175 0.000 2.310 248 D HA -0.103 4.537 4.640 0.000 0.000 0.212 248 D C 2.032 178.400 176.300 0.112 0.000 0.965 248 D CA 0.901 54.982 54.000 0.134 0.000 0.879 248 D CB -0.133 40.743 40.800 0.126 0.000 0.921 248 D HN 0.286 nan 8.370 nan 0.000 0.510 249 A N -0.302 122.551 122.820 0.055 0.000 2.172 249 A HA -0.045 4.275 4.320 0.000 0.000 0.216 249 A C 1.710 179.265 177.584 -0.050 0.000 1.154 249 A CA 0.468 52.468 52.037 -0.060 0.000 0.701 249 A CB -0.272 18.472 19.000 -0.426 0.000 0.789 249 A HN 0.236 nan 8.150 nan 0.000 0.465 250 L N 0.366 121.596 121.223 0.011 0.000 2.492 250 L HA 0.041 4.381 4.340 0.000 0.000 0.223 250 L C 1.559 178.412 176.870 -0.029 0.000 1.132 250 L CA 1.315 56.143 54.840 -0.020 0.000 0.850 250 L CB -1.112 40.965 42.059 0.029 0.000 0.966 250 L HN 0.518 nan 8.230 nan 0.000 0.454 251 T N -3.789 110.784 114.554 0.032 0.000 2.913 251 T HA 0.211 4.561 4.350 0.000 0.000 0.297 251 T C -1.552 173.165 174.700 0.029 0.000 1.029 251 T CA -1.562 60.557 62.100 0.031 0.000 1.104 251 T CB 1.196 70.097 68.868 0.057 0.000 0.964 251 T HN -0.106 nan 8.240 nan 0.000 0.532 252 P HA -0.103 nan 4.420 nan 0.000 0.216 252 P C 1.499 178.831 177.300 0.053 0.000 1.150 252 P CA 1.039 64.148 63.100 0.016 0.000 0.837 252 P CB 0.063 31.766 31.700 0.004 0.000 0.786 253 Q N -0.887 118.947 119.800 0.057 0.000 2.050 253 Q HA -0.113 4.227 4.340 0.000 0.000 0.202 253 Q C 2.367 178.426 176.000 0.098 0.000 0.980 253 Q CA 1.428 57.270 55.803 0.065 0.000 0.840 253 Q CB -0.522 28.248 28.738 0.053 0.000 0.898 253 Q HN 0.081 nan 8.270 nan 0.000 0.424 254 R N 0.187 120.768 120.500 0.135 0.000 2.075 254 R HA -0.018 4.322 4.340 0.000 0.000 0.232 254 R C 2.253 178.727 176.300 0.290 0.000 1.126 254 R CA 1.088 57.311 56.100 0.205 0.000 0.963 254 R CB -0.671 29.794 30.300 0.275 0.000 0.858 254 R HN 0.366 nan 8.270 nan 0.000 0.435 255 I N 0.603 121.348 120.570 0.292 0.000 2.226 255 I HA -0.250 3.920 4.170 0.000 0.000 0.245 255 I C 2.445 178.714 176.117 0.252 0.000 1.100 255 I CA 1.353 62.853 61.300 0.334 0.000 1.374 255 I CB -0.396 37.711 38.000 0.177 0.000 1.057 255 I HN 0.080 nan 8.210 nan 0.000 0.413 256 A N 0.084 122.999 122.820 0.158 0.000 1.933 256 A HA -0.253 4.067 4.320 0.000 0.000 0.218 256 A C 2.328 179.979 177.584 0.112 0.000 1.175 256 A CA 1.814 53.923 52.037 0.121 0.000 0.628 256 A CB -0.566 18.479 19.000 0.075 0.000 0.814 256 A HN 0.499 nan 8.150 nan 0.000 0.444 257 E N -1.237 119.024 120.200 0.102 0.000 2.047 257 E HA -0.190 4.160 4.350 0.000 0.000 0.191 257 E C 1.792 178.412 176.600 0.033 0.000 0.987 257 E CA 1.214 57.645 56.400 0.051 0.000 0.799 257 E CB -0.266 29.455 29.700 0.035 0.000 0.752 257 E HN 0.594 nan 8.360 nan 0.000 0.449 258 F N 1.984 121.867 119.950 -0.111 0.000 2.095 258 F HA -0.222 4.305 4.527 0.000 0.000 0.298 258 F C 2.303 178.109 175.800 0.010 0.000 1.104 258 F CA 2.246 60.132 58.000 -0.190 0.000 1.232 258 F CB -0.200 38.530 39.000 -0.451 0.000 0.987 258 F HN 0.068 nan 8.300 nan 0.000 0.475 259 E N 0.092 120.436 120.200 0.241 0.000 2.110 259 E HA -0.222 4.128 4.350 0.000 0.000 0.193 259 E C 2.207 178.922 176.600 0.191 0.000 0.988 259 E CA 1.084 57.658 56.400 0.291 0.000 0.804 259 E CB -0.332 29.538 29.700 0.284 0.000 0.745 259 E HN 0.489 nan 8.360 nan 0.000 0.458 260 A N 0.697 123.558 122.820 0.069 0.000 1.930 260 A HA -0.116 4.204 4.320 0.000 0.000 0.217 260 A C 2.155 179.698 177.584 -0.068 0.000 1.175 260 A CA 1.019 53.057 52.037 0.001 0.000 0.627 260 A CB -0.530 18.467 19.000 -0.006 0.000 0.815 260 A HN 0.298 nan 8.150 nan 0.000 0.443 261 L N -2.382 118.773 121.223 -0.113 0.000 2.056 261 L HA -0.169 4.171 4.340 0.000 0.000 0.207 261 L C 2.506 179.268 176.870 -0.180 0.000 1.078 261 L CA 1.548 56.290 54.840 -0.164 0.000 0.749 261 L CB -0.542 41.391 42.059 -0.210 0.000 0.901 261 L HN 0.785 nan 8.230 nan 0.000 0.433 262 W N 1.528 122.565 121.300 -0.437 0.000 2.335 262 W HA -0.225 4.435 4.660 0.000 0.000 0.311 262 W C 2.435 178.852 176.519 -0.171 0.000 1.213 262 W CA 1.470 58.592 57.345 -0.370 0.000 1.274 262 W CB -0.149 29.017 29.460 -0.490 0.000 1.148 262 W HN -0.116 nan 8.180 nan 0.000 0.498 263 K N 0.018 120.103 120.400 -0.526 0.000 2.063 263 K HA -0.263 4.057 4.320 0.000 0.000 0.208 263 K C 2.118 178.435 176.600 -0.472 0.000 1.048 263 K CA 1.988 57.811 56.287 -0.774 0.000 0.928 263 K CB -0.415 31.853 32.500 -0.386 0.000 0.713 263 K HN 0.321 nan 8.250 nan 0.000 0.442 264 E N -0.183 119.852 120.200 -0.275 0.000 2.107 264 E HA -0.132 4.218 4.350 0.000 0.000 0.191 264 E C 1.529 178.053 176.600 -0.127 0.000 0.982 264 E CA 1.318 57.618 56.400 -0.165 0.000 0.809 264 E CB 0.206 29.838 29.700 -0.114 0.000 0.756 264 E HN 0.181 nan 8.360 nan 0.000 0.459 265 T N 0.865 115.325 114.554 -0.156 0.000 2.777 265 T HA -0.163 4.188 4.350 0.000 0.000 0.266 265 T C 1.774 176.452 174.700 -0.036 0.000 1.040 265 T CA 1.463 63.528 62.100 -0.058 0.000 1.141 265 T CB -0.162 68.684 68.868 -0.037 0.000 0.868 265 T HN 0.151 nan 8.240 nan 0.000 0.444 266 K N 1.104 121.354 120.400 -0.250 0.000 2.097 266 K HA -0.029 4.291 4.320 0.000 0.000 0.206 266 K C 2.487 179.005 176.600 -0.137 0.000 1.049 266 K CA 1.197 57.348 56.287 -0.227 0.000 0.933 266 K CB -0.314 31.865 32.500 -0.535 0.000 0.717 266 K HN 0.270 nan 8.250 nan 0.000 0.442 267 A N 0.707 123.427 122.820 -0.167 0.000 1.908 267 A HA -0.175 4.145 4.320 0.000 0.000 0.218 267 A C 1.991 179.555 177.584 -0.032 0.000 1.181 267 A CA 1.380 53.355 52.037 -0.104 0.000 0.627 267 A CB -0.807 18.130 19.000 -0.105 0.000 0.818 267 A HN 0.535 nan 8.150 nan 0.000 0.445 268 F N 0.481 120.375 119.950 -0.092 0.000 2.146 268 F HA -0.138 4.389 4.527 0.000 0.000 0.298 268 F C 2.237 178.050 175.800 0.021 0.000 1.096 268 F CA 1.820 59.790 58.000 -0.051 0.000 1.275 268 F CB -0.167 38.805 39.000 -0.048 0.000 1.008 268 F HN 0.035 nan 8.300 nan 0.000 0.480 269 V N 0.499 120.521 119.914 0.180 0.000 2.255 269 V HA -0.333 3.787 4.120 0.000 0.000 0.247 269 V C 2.010 178.080 176.094 -0.040 0.000 1.051 269 V CA 2.373 64.774 62.300 0.169 0.000 1.018 269 V CB -0.662 31.278 31.823 0.196 0.000 0.641 269 V HN 0.295 nan 8.190 nan 0.000 0.445 270 D N -0.508 119.850 120.400 -0.069 0.000 2.149 270 D HA -0.096 4.544 4.640 0.000 0.000 0.201 270 D C 2.151 178.366 176.300 -0.140 0.000 0.972 270 D CA 1.134 55.072 54.000 -0.103 0.000 0.835 270 D CB -0.034 40.715 40.800 -0.085 0.000 0.966 270 D HN 0.593 nan 8.370 nan 0.000 0.476 271 E N -0.619 119.475 120.200 -0.175 0.000 2.431 271 E HA 0.076 4.426 4.350 0.000 0.000 0.200 271 E C 1.475 177.903 176.600 -0.286 0.000 0.995 271 E CA 0.050 56.335 56.400 -0.191 0.000 0.915 271 E CB 1.237 30.840 29.700 -0.160 0.000 0.930 271 E HN 0.048 nan 8.360 nan 0.000 0.496 272 V N -0.219 119.420 119.914 -0.457 0.000 3.134 272 V HA -0.071 4.049 4.120 0.000 0.000 0.222 272 V C 1.610 177.524 176.094 -0.300 0.000 1.247 272 V CA 0.335 62.258 62.300 -0.629 0.000 1.281 272 V CB -0.541 30.467 31.823 -1.359 0.000 1.169 272 V HN 0.164 nan 8.190 nan 0.000 0.512 273 Y N 1.681 121.717 120.300 -0.440 0.000 2.089 273 Y HA -0.175 4.375 4.550 0.000 0.000 0.282 273 Y C 2.338 178.055 175.900 -0.306 0.000 1.139 273 Y CA 1.638 59.621 58.100 -0.193 0.000 1.123 273 Y CB -0.524 37.904 38.460 -0.052 0.000 0.980 273 Y HN 0.110 nan 8.280 nan 0.000 0.493 274 I N 0.938 121.284 120.570 -0.374 0.000 2.226 274 I HA -0.173 3.997 4.170 0.000 0.000 0.245 274 I C -0.454 175.491 176.117 -0.286 0.000 1.100 274 I CA 1.160 62.173 61.300 -0.478 0.000 1.374 274 I CB -2.721 35.051 38.000 -0.379 0.000 1.057 274 I HN 0.178 nan 8.210 nan 0.000 0.413 275 P HA -0.118 nan 4.420 nan 0.000 0.216 275 P C 1.171 178.439 177.300 -0.054 0.000 1.150 275 P CA 1.383 64.422 63.100 -0.102 0.000 0.837 275 P CB 0.054 31.713 31.700 -0.068 0.000 0.786 276 D N -0.941 119.459 120.400 0.000 0.000 2.117 276 D HA -0.114 4.526 4.640 0.000 0.000 0.198 276 D C 1.962 178.267 176.300 0.008 0.000 0.982 276 D CA 0.763 54.831 54.000 0.113 0.000 0.828 276 D CB -0.863 40.151 40.800 0.358 0.000 0.967 276 D HN 0.086 nan 8.370 nan 0.000 0.464 277 L N 0.176 121.238 121.223 -0.269 0.000 2.042 277 L HA -0.198 4.142 4.340 0.000 0.000 0.210 277 L C 1.969 178.724 176.870 -0.192 0.000 1.076 277 L CA 0.978 55.585 54.840 -0.389 0.000 0.749 277 L CB -0.070 41.587 42.059 -0.671 0.000 0.893 277 L HN 0.066 nan 8.230 nan 0.000 0.432 278 L N -1.092 120.029 121.223 -0.171 0.000 2.093 278 L HA -0.155 4.185 4.340 0.000 0.000 0.208 278 L C 2.432 179.269 176.870 -0.054 0.000 1.085 278 L CA 1.181 55.954 54.840 -0.113 0.000 0.755 278 L CB -1.085 40.909 42.059 -0.108 0.000 0.904 278 L HN 0.033 nan 8.230 nan 0.000 0.435 279 V N -1.118 118.779 119.914 -0.027 0.000 2.358 279 V HA -0.217 3.903 4.120 0.000 0.000 0.246 279 V C 2.415 178.528 176.094 0.031 0.000 1.047 279 V CA 1.217 63.522 62.300 0.008 0.000 1.035 279 V CB 0.114 31.954 31.823 0.029 0.000 0.658 279 V HN 0.217 nan 8.190 nan 0.000 0.452 280 V N 0.120 120.053 119.914 0.033 0.000 2.427 280 V HA -0.187 3.933 4.120 0.000 0.000 0.248 280 V C 2.650 178.776 176.094 0.053 0.000 1.051 280 V CA 1.782 64.112 62.300 0.050 0.000 1.048 280 V CB -1.082 30.709 31.823 -0.054 0.000 0.666 280 V HN 0.565 nan 8.190 nan 0.000 0.456 281 A N 0.234 123.032 122.820 -0.036 0.000 1.902 281 A HA -0.102 4.218 4.320 0.000 0.000 0.217 281 A C 2.433 180.058 177.584 0.068 0.000 1.181 281 A CA 1.998 54.030 52.037 -0.008 0.000 0.623 281 A CB -0.753 18.211 19.000 -0.061 0.000 0.818 281 A HN 0.560 nan 8.150 nan 0.000 0.443 282 A N -0.205 122.636 122.820 0.035 0.000 1.933 282 A HA 0.163 4.483 4.320 0.000 0.000 0.218 282 A C 2.410 180.028 177.584 0.056 0.000 1.175 282 A CA 1.965 54.023 52.037 0.035 0.000 0.628 282 A CB -0.843 18.161 19.000 0.007 0.000 0.814 282 A HN 1.072 nan 8.150 nan 0.000 0.444 283 A N -2.390 120.470 122.820 0.066 0.000 2.066 283 A HA 0.104 4.424 4.320 0.000 0.000 0.218 283 A C 1.218 178.796 177.584 -0.009 0.000 1.157 283 A CA 0.847 52.881 52.037 -0.006 0.000 0.670 283 A CB -0.415 18.555 19.000 -0.051 0.000 0.804 283 A HN 0.565 nan 8.150 nan 0.000 0.453 284 Y N -0.816 119.620 120.300 0.227 0.000 2.736 284 Y HA 0.263 4.813 4.550 0.000 0.000 0.293 284 Y C 1.371 177.488 175.900 0.362 0.000 1.062 284 Y CA -0.463 57.872 58.100 0.391 0.000 1.247 284 Y CB 0.315 38.915 38.460 0.232 0.000 1.200 284 Y HN 0.149 nan 8.280 nan 0.000 0.552 285 K N 0.568 121.150 120.400 0.303 0.000 2.360 285 K HA -0.177 4.143 4.320 0.000 0.000 0.201 285 K C 1.340 178.048 176.600 0.180 0.000 1.046 285 K CA 1.536 57.941 56.287 0.198 0.000 0.940 285 K CB 0.060 32.615 32.500 0.092 0.000 0.748 285 K HN 0.530 nan 8.250 nan 0.000 0.465 286 D N -0.680 119.872 120.400 0.254 0.000 2.310 286 D HA -0.190 4.450 4.640 0.000 0.000 0.212 286 D C 0.918 177.123 176.300 -0.158 0.000 0.965 286 D CA 0.669 54.709 54.000 0.065 0.000 0.879 286 D CB -0.509 40.380 40.800 0.149 0.000 0.921 286 D HN 0.266 nan 8.370 nan 0.000 0.510 287 W N 1.893 123.269 121.300 0.126 0.000 3.077 287 W HA 0.072 4.732 4.660 0.000 0.000 0.245 287 W C 1.873 178.390 176.519 -0.004 0.000 1.316 287 W CA 1.016 58.435 57.345 0.122 0.000 1.537 287 W CB -0.308 29.318 29.460 0.278 0.000 1.131 287 W HN 0.061 nan 8.180 nan 0.000 0.695 288 T N -3.101 111.474 114.554 0.035 0.000 3.118 288 T HA -0.112 4.238 4.350 0.000 0.000 0.260 288 T C 1.454 176.068 174.700 -0.144 0.000 1.139 288 T CA 0.766 62.854 62.100 -0.020 0.000 1.085 288 T CB 0.063 68.918 68.868 -0.023 0.000 0.934 288 T HN 0.069 nan 8.240 nan 0.000 0.518 289 Q N -0.059 119.478 119.800 -0.437 0.000 2.384 289 Q HA 0.237 4.577 4.340 0.000 0.000 0.207 289 Q C -0.628 175.016 176.000 -0.593 0.000 0.904 289 Q CA 0.346 55.804 55.803 -0.576 0.000 0.933 289 Q CB 0.364 28.590 28.738 -0.853 0.000 1.077 289 Q HN 0.667 nan 8.270 nan 0.000 0.522 290 Y N -0.872 119.372 120.300 -0.094 0.000 2.562 290 Y HA 0.575 5.125 4.550 0.000 0.000 0.343 290 Y C 1.220 177.178 175.900 0.096 0.000 1.025 290 Y CA -1.079 56.981 58.100 -0.066 0.000 1.082 290 Y CB 1.278 39.569 38.460 -0.281 0.000 1.264 290 Y HN 0.095 nan 8.280 nan 0.000 0.478 291 G N -0.099 108.882 108.800 0.302 0.000 2.137 291 G HA2 -0.118 3.842 3.960 0.000 0.000 0.237 291 G HA3 -0.118 3.842 3.960 0.000 0.000 0.237 291 G C 0.342 175.396 174.900 0.258 0.000 1.002 291 G CA -0.111 45.166 45.100 0.295 0.000 0.702 291 G HN 1.178 nan 8.290 nan 0.000 0.515 292 G N -0.726 108.214 108.800 0.233 0.000 2.599 292 G HA2 0.805 4.765 3.960 0.000 0.000 0.264 292 G HA3 0.805 4.765 3.960 0.000 0.000 0.264 292 G C 0.304 175.351 174.900 0.245 0.000 1.200 292 G CA 0.881 46.139 45.100 0.263 0.000 0.896 292 G HN 1.486 nan 8.290 nan 0.000 0.536 293 T N -2.652 112.060 114.554 0.265 0.000 2.841 293 T HA 0.504 4.854 4.350 0.000 0.000 0.296 293 T C -0.287 174.431 174.700 0.029 0.000 1.166 293 T CA -0.708 61.467 62.100 0.124 0.000 1.007 293 T CB 2.386 71.301 68.868 0.079 0.000 1.253 293 T HN 0.240 nan 8.240 nan 0.000 0.511 294 D N 0.172 120.499 120.400 -0.120 0.000 2.431 294 D HA 0.183 4.823 4.640 0.000 0.000 0.235 294 D C -0.040 176.129 176.300 -0.217 0.000 0.980 294 D CA 0.576 54.517 54.000 -0.099 0.000 0.912 294 D CB 0.254 41.026 40.800 -0.047 0.000 1.056 294 D HN 0.495 nan 8.370 nan 0.000 0.494 295 N N 0.106 118.503 118.700 -0.506 0.000 2.240 295 N HA 0.401 5.141 4.740 0.000 0.000 0.302 295 N C -1.155 173.813 175.510 -0.904 0.000 1.106 295 N CA -0.374 52.393 53.050 -0.472 0.000 0.778 295 N CB 2.022 40.395 38.487 -0.189 0.000 1.431 295 N HN -0.134 nan 8.380 nan 0.000 0.479 296 F N 0.668 120.497 119.950 -0.201 0.000 2.569 296 F HA 0.582 5.109 4.527 0.000 0.000 0.312 296 F C -0.071 175.520 175.800 -0.348 0.000 1.109 296 F CA -0.824 57.071 58.000 -0.176 0.000 0.919 296 F CB 2.125 41.116 39.000 -0.014 0.000 1.211 296 F HN 0.229 nan 8.300 nan 0.000 0.446 297 I N 1.508 121.921 120.570 -0.262 0.000 2.730 297 I HA 0.727 4.897 4.170 0.000 0.000 0.298 297 I C -1.165 174.674 176.117 -0.462 0.000 1.089 297 I CA -0.033 60.989 61.300 -0.464 0.000 1.041 297 I CB 2.368 39.918 38.000 -0.749 0.000 1.235 297 I HN 0.632 nan 8.210 nan 0.000 0.423 298 T N 5.337 119.634 114.554 -0.429 0.000 2.932 298 T HA 0.473 4.823 4.350 0.000 0.000 0.318 298 T C -0.211 174.336 174.700 -0.254 0.000 1.265 298 T CA -0.330 61.533 62.100 -0.395 0.000 1.036 298 T CB 0.929 69.666 68.868 -0.219 0.000 1.209 298 T HN 0.474 nan 8.240 nan 0.000 0.484 299 F N 1.899 121.612 119.950 -0.395 0.000 2.721 299 F HA 0.404 4.931 4.527 0.000 0.000 0.301 299 F C 1.666 177.322 175.800 -0.239 0.000 1.096 299 F CA -0.156 57.566 58.000 -0.464 0.000 1.308 299 F CB 0.702 39.469 39.000 -0.389 0.000 1.086 299 F HN 0.947 nan 8.300 nan 0.000 0.587 300 G N 1.952 110.783 108.800 0.053 0.000 2.733 300 G HA2 -0.060 3.900 3.960 0.000 0.000 0.686 300 G HA3 -0.060 3.900 3.960 0.000 0.000 0.686 300 G C -1.315 173.656 174.900 0.118 0.000 1.373 300 G CA -0.722 44.444 45.100 0.111 0.000 0.838 300 G HN 0.239 nan 8.290 nan 0.000 0.588 301 E N -0.990 119.318 120.200 0.180 0.000 2.407 301 E HA 0.694 5.044 4.350 0.000 0.000 0.279 301 E C -0.266 176.379 176.600 0.075 0.000 1.012 301 E CA -0.544 55.836 56.400 -0.033 0.000 0.800 301 E CB 0.696 30.241 29.700 -0.260 0.000 1.276 301 E HN 1.668 nan 8.360 nan 0.000 0.452 302 F N 0.595 120.669 119.950 0.207 0.000 2.561 302 F HA -0.132 4.395 4.527 0.000 0.000 0.427 302 F C -2.127 173.768 175.800 0.157 0.000 1.139 302 F CA 0.156 58.275 58.000 0.197 0.000 1.360 302 F CB -0.977 38.190 39.000 0.279 0.000 1.972 302 F HN 0.231 nan 8.300 nan 0.000 0.767 303 P HA 0.099 nan 4.420 nan 0.000 0.275 303 P C 0.292 177.646 177.300 0.090 0.000 1.228 303 P CA -0.255 62.919 63.100 0.123 0.000 0.786 303 P CB 1.430 33.163 31.700 0.054 0.000 0.927 304 K N 0.449 120.899 120.400 0.083 0.000 2.242 304 K HA 0.046 4.366 4.320 0.000 0.000 0.200 304 K C 0.266 176.879 176.600 0.022 0.000 1.050 304 K CA 0.962 57.268 56.287 0.032 0.000 0.981 304 K CB 0.108 32.647 32.500 0.065 0.000 0.795 304 K HN 0.523 nan 8.250 nan 0.000 0.477 305 D N 0.864 121.301 120.400 0.060 0.000 2.481 305 D HA 0.077 4.717 4.640 0.000 0.000 0.246 305 D C 0.437 176.796 176.300 0.099 0.000 1.109 305 D CA -0.081 53.978 54.000 0.099 0.000 0.845 305 D CB 1.317 42.188 40.800 0.119 0.000 1.160 305 D HN -0.170 nan 8.370 nan 0.000 0.534 306 E N 2.589 122.850 120.200 0.101 0.000 2.409 306 E HA -0.149 4.201 4.350 0.000 0.000 0.198 306 E C 0.299 176.812 176.600 -0.145 0.000 1.024 306 E CA 0.779 57.158 56.400 -0.034 0.000 0.861 306 E CB 0.205 29.839 29.700 -0.111 0.000 0.788 306 E HN 0.613 nan 8.360 nan 0.000 0.521 307 Y N -0.284 120.006 120.300 -0.017 0.000 2.531 307 Y HA 0.172 4.722 4.550 0.000 0.000 0.249 307 Y C 0.182 176.104 175.900 0.037 0.000 1.168 307 Y CA -0.460 57.641 58.100 0.001 0.000 1.226 307 Y CB 0.863 39.333 38.460 0.018 0.000 1.177 307 Y HN -0.190 nan 8.280 nan 0.000 0.527 308 D N 0.029 120.513 120.400 0.139 0.000 2.473 308 D HA 0.244 4.884 4.640 0.000 0.000 0.253 308 D C 0.560 176.896 176.300 0.061 0.000 1.233 308 D CA -0.136 53.924 54.000 0.100 0.000 0.908 308 D CB 0.986 41.849 40.800 0.105 0.000 1.170 308 D HN 0.099 nan 8.370 nan 0.000 0.558 309 L N 2.781 124.023 121.223 0.031 0.000 2.191 309 L HA -0.067 4.273 4.340 0.000 0.000 0.212 309 L C 1.404 178.296 176.870 0.038 0.000 1.103 309 L CA 0.853 55.700 54.840 0.011 0.000 0.769 309 L CB -0.218 41.811 42.059 -0.050 0.000 0.908 309 L HN 0.376 nan 8.230 nan 0.000 0.438 310 N N -0.889 117.838 118.700 0.045 0.000 2.461 310 N HA -0.085 4.655 4.740 0.000 0.000 0.188 310 N C 1.638 177.180 175.510 0.054 0.000 1.134 310 N CA 0.558 53.636 53.050 0.047 0.000 0.878 310 N CB 0.233 38.746 38.487 0.043 0.000 0.972 310 N HN 0.228 nan 8.380 nan 0.000 0.456 311 S N -0.180 115.559 115.700 0.065 0.000 2.593 311 S HA 0.144 4.614 4.470 0.000 0.000 0.217 311 S C 0.666 175.326 174.600 0.100 0.000 0.966 311 S CA -0.358 57.887 58.200 0.075 0.000 0.914 311 S CB 0.207 63.454 63.200 0.078 0.000 0.776 311 S HN 0.116 nan 8.310 nan 0.000 0.523 312 R N 0.032 120.595 120.500 0.105 0.000 2.531 312 R HA 0.328 4.668 4.340 0.000 0.000 0.273 312 R C 0.732 177.129 176.300 0.163 0.000 1.070 312 R CA -0.318 55.876 56.100 0.158 0.000 1.112 312 R CB 0.215 30.600 30.300 0.143 0.000 1.049 312 R HN 0.280 nan 8.270 nan 0.000 0.508 313 F N 1.650 121.604 119.950 0.007 0.000 2.134 313 F HA -0.046 4.481 4.527 0.000 0.000 0.299 313 F C 0.001 175.686 175.800 -0.191 0.000 1.097 313 F CA 1.167 59.020 58.000 -0.245 0.000 1.264 313 F CB 0.193 38.792 39.000 -0.668 0.000 1.001 313 F HN 0.254 nan 8.300 nan 0.000 0.479 314 F N 1.489 121.494 119.950 0.092 0.000 2.420 314 F HA 0.436 4.963 4.527 0.000 0.000 0.342 314 F C 0.099 175.902 175.800 0.006 0.000 1.113 314 F CA -1.040 56.932 58.000 -0.046 0.000 1.059 314 F CB 0.778 39.755 39.000 -0.038 0.000 1.128 314 F HN -0.424 nan 8.300 nan 0.000 0.475 315 K N 4.401 124.903 120.400 0.170 0.000 2.098 315 K HA 0.443 4.763 4.320 0.000 0.000 0.261 315 K C -2.482 174.154 176.600 0.060 0.000 0.987 315 K CA -2.473 53.870 56.287 0.094 0.000 0.916 315 K CB 0.249 32.788 32.500 0.065 0.000 1.039 315 K HN 0.208 nan 8.250 nan 0.000 0.455 316 P HA 0.333 nan 4.420 nan 0.000 0.272 316 P C -0.330 176.968 177.300 -0.003 0.000 1.240 316 P CA -0.359 62.732 63.100 -0.015 0.000 0.791 316 P CB 0.895 32.583 31.700 -0.020 0.000 0.978 317 G N -1.353 107.416 108.800 -0.051 0.000 2.368 317 G HA2 0.464 4.424 3.960 0.000 0.000 0.293 317 G HA3 0.464 4.424 3.960 0.000 0.000 0.293 317 G C -2.160 172.655 174.900 -0.141 0.000 1.467 317 G CA -0.441 44.638 45.100 -0.036 0.000 0.804 317 G HN 0.385 nan 8.290 nan 0.000 0.535 318 V N -0.217 119.596 119.914 -0.169 0.000 2.686 318 V HA 0.729 4.849 4.120 0.000 0.000 0.306 318 V C -0.544 175.319 176.094 -0.385 0.000 1.065 318 V CA -0.679 61.399 62.300 -0.370 0.000 0.894 318 V CB 1.787 33.316 31.823 -0.490 0.000 1.004 318 V HN 0.777 nan 8.190 nan 0.000 0.424 319 V N 4.852 124.471 119.914 -0.490 0.000 2.638 319 V HA 0.580 4.700 4.120 0.000 0.000 0.306 319 V C -1.036 174.751 176.094 -0.510 0.000 1.052 319 V CA -0.567 61.448 62.300 -0.474 0.000 0.885 319 V CB 1.902 33.323 31.823 -0.670 0.000 0.999 319 V HN 0.678 nan 8.190 nan 0.000 0.424 320 F N 3.953 123.846 119.950 -0.094 0.000 2.443 320 F HA 0.637 5.164 4.527 0.000 0.000 0.335 320 F C 0.707 176.466 175.800 -0.067 0.000 1.104 320 F CA -1.053 56.917 58.000 -0.050 0.000 1.013 320 F CB 1.553 40.550 39.000 -0.005 0.000 1.136 320 F HN 0.382 nan 8.300 nan 0.000 0.470 321 K N 2.291 122.763 120.400 0.121 0.000 3.077 321 K HA -0.280 4.040 4.320 0.000 0.000 0.264 321 K C 0.298 176.900 176.600 0.003 0.000 1.008 321 K CA 0.722 57.039 56.287 0.051 0.000 0.740 321 K CB -1.579 30.955 32.500 0.056 0.000 1.273 321 K HN 0.799 nan 8.250 nan 0.000 0.477 322 R N -1.566 118.940 120.500 0.010 0.000 3.847 322 R HA -0.221 4.119 4.340 0.000 0.000 0.304 322 R C -0.257 176.046 176.300 0.004 0.000 1.203 322 R CA 1.165 57.281 56.100 0.027 0.000 0.835 322 R CB -1.349 28.817 30.300 -0.223 0.000 1.253 322 R HN 0.417 nan 8.270 nan 0.000 0.516 323 D N 0.177 120.512 120.400 -0.109 0.000 2.508 323 D HA 0.082 4.722 4.640 0.000 0.000 0.224 323 D C 0.365 176.602 176.300 -0.105 0.000 1.171 323 D CA -0.196 53.786 54.000 -0.029 0.000 1.006 323 D CB -0.198 40.611 40.800 0.014 0.000 1.073 323 D HN 0.150 nan 8.370 nan 0.000 0.513 324 F N 1.260 121.263 119.950 0.089 0.000 2.780 324 F HA 0.100 4.627 4.527 0.000 0.000 0.299 324 F C 2.105 177.948 175.800 0.072 0.000 1.146 324 F CA 0.325 58.371 58.000 0.076 0.000 1.428 324 F CB 0.261 39.304 39.000 0.073 0.000 1.115 324 F HN 0.141 nan 8.300 nan 0.000 0.583 325 K N -0.224 120.289 120.400 0.188 0.000 2.366 325 K HA 0.010 4.330 4.320 0.000 0.000 0.198 325 K C 0.140 176.795 176.600 0.092 0.000 1.044 325 K CA 0.624 56.990 56.287 0.131 0.000 0.973 325 K CB 0.010 32.575 32.500 0.108 0.000 0.767 325 K HN 0.019 nan 8.250 nan 0.000 0.475 326 N N 0.985 119.727 118.700 0.070 0.000 2.757 326 N HA 0.173 4.913 4.740 0.000 0.000 0.296 326 N C -1.007 174.532 175.510 0.049 0.000 1.874 326 N CA -0.177 52.910 53.050 0.063 0.000 0.885 326 N CB 0.700 39.228 38.487 0.068 0.000 1.242 326 N HN 0.033 nan 8.380 nan 0.000 0.488 327 I N 1.190 121.786 120.570 0.045 0.000 2.618 327 I HA -0.008 4.162 4.170 0.000 0.000 0.284 327 I C 0.676 176.826 176.117 0.054 0.000 1.146 327 I CA 0.213 61.526 61.300 0.022 0.000 1.425 327 I CB 0.471 38.498 38.000 0.045 0.000 1.383 327 I HN -0.207 nan 8.210 nan 0.000 0.562 328 K N 7.371 127.806 120.400 0.057 0.000 2.110 328 K HA 0.482 4.802 4.320 0.000 0.000 0.263 328 K C -2.369 174.293 176.600 0.103 0.000 0.975 328 K CA -1.969 54.390 56.287 0.120 0.000 0.895 328 K CB 0.758 33.400 32.500 0.236 0.000 1.060 328 K HN 0.202 nan 8.250 nan 0.000 0.448 329 P HA 0.047 nan 4.420 nan 0.000 0.272 329 P C -0.423 176.986 177.300 0.182 0.000 1.223 329 P CA -0.336 62.837 63.100 0.122 0.000 0.784 329 P CB 0.255 32.014 31.700 0.098 0.000 0.923 330 F N 2.292 122.240 119.950 -0.004 0.000 2.444 330 F HA 0.275 4.802 4.527 0.000 0.000 0.360 330 F C -0.105 175.754 175.800 0.099 0.000 1.106 330 F CA -0.876 57.119 58.000 -0.010 0.000 1.170 330 F CB -0.023 38.898 39.000 -0.130 0.000 1.113 330 F HN 0.097 nan 8.300 nan 0.000 0.521 331 D N 6.183 126.479 120.400 -0.173 0.000 2.427 331 D HA 0.134 4.774 4.640 0.000 0.000 0.226 331 D C 0.719 176.761 176.300 -0.431 0.000 1.076 331 D CA -0.454 53.378 54.000 -0.279 0.000 0.849 331 D CB 1.159 41.966 40.800 0.012 0.000 1.052 331 D HN 0.756 nan 8.370 nan 0.000 0.515 332 K N 2.993 122.991 120.400 -0.670 0.000 2.442 332 K HA -0.065 4.255 4.320 0.000 0.000 0.198 332 K C 1.031 177.774 176.600 0.239 0.000 1.042 332 K CA 0.665 56.812 56.287 -0.232 0.000 0.958 332 K CB 0.031 32.566 32.500 0.058 0.000 0.766 332 K HN 0.287 nan 8.250 nan 0.000 0.474 333 M N 0.875 120.529 119.600 0.091 0.000 2.595 333 M HA 0.048 4.528 4.480 0.000 0.000 0.248 333 M C 0.944 177.286 176.300 0.070 0.000 1.119 333 M CA 0.925 56.256 55.300 0.051 0.000 1.079 333 M CB -0.036 32.535 32.600 -0.048 0.000 1.472 333 M HN 0.178 nan 8.290 nan 0.000 0.501 334 Q N 0.258 120.072 119.800 0.024 0.000 2.246 334 Q HA 0.343 4.683 4.340 0.000 0.000 0.202 334 Q C 0.156 176.131 176.000 -0.041 0.000 0.883 334 Q CA 0.091 55.802 55.803 -0.153 0.000 0.952 334 Q CB 0.600 28.992 28.738 -0.577 0.000 1.078 334 Q HN 0.474 nan 8.270 nan 0.000 0.493 335 I N 1.696 122.404 120.570 0.230 0.000 2.342 335 I HA 0.118 4.288 4.170 0.000 0.000 0.291 335 I C 0.216 176.367 176.117 0.056 0.000 1.010 335 I CA 0.120 61.599 61.300 0.299 0.000 1.308 335 I CB 0.804 39.030 38.000 0.377 0.000 1.400 335 I HN -0.138 nan 8.210 nan 0.000 0.488 336 E N 5.761 125.983 120.200 0.036 0.000 2.317 336 E HA 0.400 4.750 4.350 0.000 0.000 0.270 336 E C -1.265 175.265 176.600 -0.118 0.000 0.885 336 E CA -0.860 55.490 56.400 -0.083 0.000 0.760 336 E CB 2.392 32.051 29.700 -0.069 0.000 1.227 336 E HN 0.492 nan 8.360 nan 0.000 0.434 337 E N 1.975 122.047 120.200 -0.214 0.000 2.113 337 E HA 0.229 4.579 4.350 0.000 0.000 0.273 337 E C -0.680 175.803 176.600 -0.195 0.000 0.924 337 E CA -0.428 55.858 56.400 -0.190 0.000 0.764 337 E CB 1.109 30.665 29.700 -0.240 0.000 1.104 337 E HN 0.334 nan 8.360 nan 0.000 0.406 338 H N 1.279 120.270 119.070 -0.132 0.000 2.551 338 H HA 0.124 4.680 4.556 0.000 0.000 0.358 338 H C 0.864 176.138 175.328 -0.089 0.000 1.151 338 H CA -0.099 55.895 56.048 -0.091 0.000 1.374 338 H CB 1.794 31.523 29.762 -0.055 0.000 1.473 338 H HN 0.393 nan 8.280 nan 0.000 0.574 339 V N 0.414 120.333 119.914 0.007 0.000 3.398 339 V HA 0.146 4.266 4.120 0.000 0.000 0.298 339 V C 1.947 178.019 176.094 -0.036 0.000 1.496 339 V CA -0.234 62.078 62.300 0.020 0.000 1.044 339 V CB 0.354 32.204 31.823 0.045 0.000 0.880 339 V HN 0.579 nan 8.190 nan 0.000 0.443 340 R N 0.906 121.361 120.500 -0.075 0.000 2.127 340 R HA -0.111 4.230 4.340 0.000 0.000 0.238 340 R C 1.317 177.363 176.300 -0.424 0.000 1.134 340 R CA 1.807 57.764 56.100 -0.239 0.000 0.975 340 R CB -0.296 29.833 30.300 -0.286 0.000 0.865 340 R HN 0.710 nan 8.270 nan 0.000 0.447 341 H N -1.010 117.981 119.070 -0.133 0.000 2.487 341 H HA 0.309 4.865 4.556 0.000 0.000 0.290 341 H C -0.148 174.840 175.328 -0.567 0.000 1.081 341 H CA -0.082 55.799 56.048 -0.278 0.000 1.116 341 H CB 0.659 30.284 29.762 -0.228 0.000 1.560 341 H HN -0.012 nan 8.280 nan 0.000 0.548 342 S N -0.408 115.081 115.700 -0.351 0.000 2.638 342 S HA 0.178 4.648 4.470 0.000 0.000 0.302 342 S C -0.184 174.146 174.600 -0.451 0.000 1.096 342 S CA -0.788 57.144 58.200 -0.447 0.000 0.953 342 S CB 1.651 64.839 63.200 -0.020 0.000 1.107 342 S HN 0.304 nan 8.310 nan 0.000 0.503 343 W N 2.725 123.648 121.300 -0.629 0.000 1.395 343 W HA 0.371 5.031 4.660 0.000 0.000 0.451 343 W C -0.977 174.988 176.519 -0.923 0.000 0.619 343 W CA -0.649 56.175 57.345 -0.868 0.000 2.212 343 W CB -1.398 27.172 29.460 -1.483 0.000 1.537 343 W HN 0.549 nan 8.180 nan 0.000 0.275 344 Y N -0.819 119.483 120.300 0.004 0.000 2.605 344 Y HA 0.235 4.785 4.550 0.000 0.000 0.343 344 Y C 0.653 176.550 175.900 -0.005 0.000 1.036 344 Y CA -1.513 56.598 58.100 0.020 0.000 1.065 344 Y CB 1.135 39.602 38.460 0.010 0.000 1.288 344 Y HN -0.090 nan 8.280 nan 0.000 0.481 345 E N 1.287 121.593 120.200 0.176 0.000 2.415 345 E HA 0.341 4.691 4.350 0.000 0.000 0.263 345 E C 0.479 177.110 176.600 0.050 0.000 0.995 345 E CA 0.941 57.391 56.400 0.082 0.000 0.915 345 E CB 0.344 30.087 29.700 0.071 0.000 0.951 345 E HN 0.862 nan 8.360 nan 0.000 0.449 346 G N 2.362 111.172 108.800 0.016 0.000 2.584 346 G HA2 -0.125 3.835 3.960 0.000 0.000 0.229 346 G HA3 -0.125 3.835 3.960 0.000 0.000 0.229 346 G C 0.159 175.044 174.900 -0.025 0.000 1.320 346 G CA -0.172 44.924 45.100 -0.007 0.000 0.891 346 G HN 0.796 nan 8.290 nan 0.000 0.573 347 A N -0.811 121.986 122.820 -0.038 0.000 2.674 347 A HA 0.626 4.946 4.320 0.000 0.000 0.274 347 A C 0.358 177.902 177.584 -0.067 0.000 1.065 347 A CA 1.272 53.276 52.037 -0.056 0.000 0.978 347 A CB 0.276 19.241 19.000 -0.058 0.000 1.242 347 A HN 0.876 nan 8.150 nan 0.000 0.583 348 E N 1.363 121.518 120.200 -0.075 0.000 2.194 348 E HA 0.563 4.914 4.350 0.000 0.000 0.284 348 E C 0.301 176.789 176.600 -0.187 0.000 1.035 348 E CA -0.265 56.069 56.400 -0.110 0.000 0.836 348 E CB 0.935 30.588 29.700 -0.079 0.000 1.070 348 E HN 0.451 nan 8.360 nan 0.000 0.401 349 A N 5.176 127.801 122.820 -0.324 0.000 2.386 349 A HA 0.388 4.708 4.320 0.000 0.000 0.248 349 A C -0.254 177.166 177.584 -0.274 0.000 1.082 349 A CA -0.263 51.485 52.037 -0.481 0.000 0.789 349 A CB 0.542 18.930 19.000 -1.020 0.000 1.025 349 A HN 0.611 nan 8.150 nan 0.000 0.490 350 R N 0.724 121.081 120.500 -0.237 0.000 2.621 350 R HA 0.254 4.594 4.340 0.000 0.000 0.284 350 R C -0.703 175.495 176.300 -0.171 0.000 0.998 350 R CA -0.665 55.342 56.100 -0.156 0.000 0.895 350 R CB 1.264 31.482 30.300 -0.136 0.000 1.195 350 R HN 0.974 nan 8.270 nan 0.000 0.450 351 H N 4.650 123.605 119.070 -0.191 0.000 2.848 351 H HA 0.073 4.629 4.556 0.000 0.000 0.341 351 H C -1.468 173.644 175.328 -0.361 0.000 1.060 351 H CA -1.008 54.881 56.048 -0.266 0.000 1.444 351 H CB 1.399 31.052 29.762 -0.181 0.000 1.446 351 H HN 0.160 nan 8.280 nan 0.000 0.583 352 P HA -0.128 nan 4.420 nan 0.000 0.222 352 P C 1.180 178.219 177.300 -0.434 0.000 1.147 352 P CA 0.893 63.449 63.100 -0.907 0.000 0.790 352 P CB -0.009 30.694 31.700 -1.662 0.000 0.780 353 W N 0.655 121.832 121.300 -0.206 0.000 3.077 353 W HA 0.092 4.753 4.660 0.000 0.000 0.245 353 W C 0.849 177.383 176.519 0.025 0.000 1.316 353 W CA 0.735 58.114 57.345 0.057 0.000 1.537 353 W CB -0.444 29.145 29.460 0.216 0.000 1.131 353 W HN 0.086 nan 8.180 nan 0.000 0.695 354 K N -0.868 119.647 120.400 0.192 0.000 2.758 354 K HA 0.282 4.602 4.320 0.000 0.000 0.208 354 K C 0.845 177.446 176.600 0.002 0.000 1.091 354 K CA -0.238 56.099 56.287 0.083 0.000 1.059 354 K CB 0.716 33.259 32.500 0.072 0.000 0.801 354 K HN -0.163 nan 8.250 nan 0.000 0.470 355 G N 0.919 109.699 108.800 -0.034 0.000 2.606 355 G HA2 0.165 4.125 3.960 0.000 0.000 0.252 355 G HA3 0.165 4.125 3.960 0.000 0.000 0.252 355 G C -0.578 174.295 174.900 -0.046 0.000 1.206 355 G CA -0.150 44.898 45.100 -0.086 0.000 0.861 355 G HN 0.174 nan 8.290 nan 0.000 0.561 356 Q N -0.692 119.062 119.800 -0.076 0.000 2.305 356 Q HA 0.444 4.784 4.340 0.000 0.000 0.271 356 Q C -1.337 174.611 176.000 -0.088 0.000 1.046 356 Q CA -0.544 55.229 55.803 -0.050 0.000 0.798 356 Q CB 2.606 31.319 28.738 -0.042 0.000 1.286 356 Q HN 0.434 nan 8.270 nan 0.000 0.435 357 T N 2.896 117.443 114.554 -0.012 0.000 3.064 357 T HA 0.277 4.627 4.350 0.000 0.000 0.367 357 T C -0.757 174.044 174.700 0.169 0.000 1.202 357 T CA -0.468 61.638 62.100 0.011 0.000 1.133 357 T CB 0.385 69.318 68.868 0.108 0.000 1.074 357 T HN 0.417 nan 8.240 nan 0.000 0.519 358 Q N 3.314 123.252 119.800 0.230 0.000 2.700 358 Q HA 0.270 4.610 4.340 0.000 0.000 0.249 358 Q C -2.647 173.545 176.000 0.319 0.000 1.033 358 Q CA -2.117 53.822 55.803 0.227 0.000 0.804 358 Q CB 1.592 30.413 28.738 0.139 0.000 1.164 358 Q HN 0.326 nan 8.270 nan 0.000 0.500 359 P HA 0.027 nan 4.420 nan 0.000 0.268 359 P C -0.481 176.855 177.300 0.059 0.000 1.205 359 P CA -0.118 63.002 63.100 0.033 0.000 0.771 359 P CB 0.737 32.273 31.700 -0.273 0.000 0.858 360 K N 3.212 123.623 120.400 0.018 0.000 2.729 360 K HA 0.234 4.554 4.320 0.000 0.000 0.269 360 K C -2.186 174.391 176.600 -0.039 0.000 1.065 360 K CA -0.815 55.486 56.287 0.022 0.000 1.000 360 K CB -0.266 32.249 32.500 0.025 0.000 1.283 360 K HN 0.310 nan 8.250 nan 0.000 0.491 361 Y N 2.484 122.653 120.300 -0.220 0.000 2.304 361 Y HA 0.351 4.901 4.550 0.000 0.000 0.328 361 Y C 1.021 176.669 175.900 -0.421 0.000 1.123 361 Y CA 0.532 58.288 58.100 -0.573 0.000 1.218 361 Y CB 1.450 39.608 38.460 -0.503 0.000 1.207 361 Y HN 0.656 nan 8.280 nan 0.000 0.495 362 T N 0.533 114.488 114.554 -0.999 0.000 3.111 362 T HA 0.259 4.609 4.350 0.000 0.000 0.284 362 T C -0.312 173.979 174.700 -0.682 0.000 0.983 362 T CA 0.104 61.892 62.100 -0.519 0.000 0.900 362 T CB -0.259 68.529 68.868 -0.132 0.000 1.132 362 T HN 0.723 nan 8.240 nan 0.000 0.531 363 D N 0.417 119.839 120.400 -1.631 0.000 9.948 363 D HA -0.170 4.470 4.640 0.000 0.000 0.354 363 D C -0.549 175.615 176.300 -0.227 0.000 2.964 363 D CA 0.171 53.556 54.000 -1.025 0.000 2.324 363 D CB -0.531 40.025 40.800 -0.408 0.000 1.175 363 D HN 0.419 nan 8.370 nan 0.000 1.063 364 L N 2.969 124.186 121.223 -0.009 0.000 2.500 364 L HA 0.083 4.423 4.340 0.000 0.000 0.272 364 L C 1.144 178.022 176.870 0.014 0.000 1.149 364 L CA 0.081 54.967 54.840 0.076 0.000 0.897 364 L CB -0.029 42.073 42.059 0.071 0.000 1.178 364 L HN 0.471 nan 8.230 nan 0.000 0.473 365 H N 0.256 119.377 119.070 0.085 0.000 3.109 365 H HA -0.132 4.424 4.556 0.000 0.000 0.245 365 H C 0.859 176.193 175.328 0.010 0.000 1.187 365 H CA 0.634 56.683 56.048 0.001 0.000 1.136 365 H CB -1.366 28.324 29.762 -0.121 0.000 1.243 365 H HN 0.798 nan 8.280 nan 0.000 0.328 366 G N 0.938 109.788 108.800 0.083 0.000 2.361 366 G HA2 0.287 4.247 3.960 0.000 0.000 0.260 366 G HA3 0.287 4.247 3.960 0.000 0.000 0.260 366 G C 0.337 175.257 174.900 0.034 0.000 1.261 366 G CA 0.691 45.807 45.100 0.028 0.000 0.897 366 G HN 0.370 nan 8.290 nan 0.000 0.499 367 D N 1.450 121.867 120.400 0.027 0.000 2.811 367 D HA -0.214 4.426 4.640 0.000 0.000 0.231 367 D C 0.786 177.114 176.300 0.047 0.000 1.157 367 D CA 1.580 55.593 54.000 0.021 0.000 0.716 367 D CB -0.856 39.940 40.800 -0.006 0.000 1.077 367 D HN 0.681 nan 8.370 nan 0.000 0.428 368 D N -1.469 118.998 120.400 0.111 0.000 2.981 368 D HA -0.241 4.399 4.640 0.000 0.000 0.223 368 D C -0.532 175.921 176.300 0.256 0.000 1.151 368 D CA 1.080 55.220 54.000 0.232 0.000 0.827 368 D CB -0.719 40.236 40.800 0.258 0.000 1.101 368 D HN 0.669 nan 8.370 nan 0.000 0.426 369 R N -0.090 120.439 120.500 0.048 0.000 2.514 369 R HA 0.538 4.878 4.340 0.000 0.000 0.301 369 R C 0.369 176.352 176.300 -0.529 0.000 0.962 369 R CA -0.658 55.272 56.100 -0.282 0.000 0.882 369 R CB 1.075 31.164 30.300 -0.351 0.000 1.143 369 R HN 0.258 nan 8.270 nan 0.000 0.452 370 Y N -1.790 117.892 120.300 -1.030 0.000 2.888 370 Y HA 0.489 5.039 4.550 0.000 0.000 0.260 370 Y C -0.499 174.535 175.900 -1.444 0.000 1.113 370 Y CA -0.706 56.723 58.100 -1.119 0.000 1.237 370 Y CB 0.677 38.667 38.460 -0.784 0.000 1.307 370 Y HN 0.390 nan 8.280 nan 0.000 0.580 371 S N -0.690 113.766 115.700 -2.075 0.000 2.547 371 S HA 0.290 4.760 4.470 0.000 0.000 0.270 371 S C -1.178 172.946 174.600 -0.794 0.000 1.150 371 S CA -0.654 56.849 58.200 -1.162 0.000 0.850 371 S CB 0.364 63.204 63.200 -0.601 0.000 1.118 371 S HN 0.397 nan 8.310 nan 0.000 0.461 372 W N 2.408 123.732 121.300 0.040 0.000 3.047 372 W HA 0.327 4.987 4.660 0.000 0.000 0.250 372 W C 0.934 177.584 176.519 0.219 0.000 1.314 372 W CA -0.367 57.094 57.345 0.192 0.000 1.540 372 W CB 0.199 29.869 29.460 0.351 0.000 1.127 372 W HN 0.271 nan 8.180 nan 0.000 0.679 373 M N 1.271 121.025 119.600 0.257 0.000 2.235 373 M HA 0.145 4.625 4.480 0.000 0.000 0.351 373 M C 0.625 177.007 176.300 0.137 0.000 1.178 373 M CA 0.138 55.550 55.300 0.187 0.000 1.143 373 M CB 0.963 33.614 32.600 0.085 0.000 1.530 373 M HN -0.212 nan 8.290 nan 0.000 0.461 374 K N 1.214 121.672 120.400 0.096 0.000 2.132 374 K HA 0.470 4.790 4.320 0.000 0.000 0.240 374 K C -0.272 176.295 176.600 -0.054 0.000 1.036 374 K CA -0.401 55.880 56.287 -0.009 0.000 0.888 374 K CB 0.538 32.966 32.500 -0.120 0.000 1.071 374 K HN 0.742 nan 8.250 nan 0.000 0.502 375 A N 2.586 125.373 122.820 -0.055 0.000 2.536 375 A HA 0.367 4.687 4.320 0.000 0.000 0.329 375 A C -2.524 174.997 177.584 -0.105 0.000 1.321 375 A CA -1.735 50.262 52.037 -0.067 0.000 0.804 375 A CB 0.298 19.284 19.000 -0.023 0.000 1.126 375 A HN 0.307 nan 8.150 nan 0.000 0.480 376 P HA 0.350 nan 4.420 nan 0.000 0.271 376 P C -0.481 176.637 177.300 -0.304 0.000 1.216 376 P CA -0.037 62.708 63.100 -0.591 0.000 0.776 376 P CB 0.687 31.436 31.700 -1.584 0.000 0.881 377 R N 2.185 122.671 120.500 -0.022 0.000 2.673 377 R HA 0.392 4.733 4.340 0.000 0.000 0.281 377 R C -1.404 175.202 176.300 0.510 0.000 0.991 377 R CA -0.813 55.459 56.100 0.288 0.000 0.896 377 R CB 1.736 32.132 30.300 0.160 0.000 1.201 377 R HN 0.512 nan 8.270 nan 0.000 0.457 378 Y N 2.812 123.431 120.300 0.532 0.000 2.334 378 Y HA 0.212 4.762 4.550 0.000 0.000 0.336 378 Y C 0.692 176.830 175.900 0.397 0.000 0.960 378 Y CA -0.227 58.170 58.100 0.494 0.000 1.164 378 Y CB 0.892 39.611 38.460 0.432 0.000 1.155 378 Y HN 0.751 nan 8.280 nan 0.000 0.478 379 M N 5.613 125.136 119.600 -0.128 0.000 2.333 379 M HA -0.318 4.162 4.480 0.000 0.000 0.199 379 M C 1.117 177.476 176.300 0.097 0.000 0.376 379 M CA 1.445 56.728 55.300 -0.027 0.000 0.440 379 M CB -1.716 30.890 32.600 0.009 0.000 1.506 379 M HN 1.169 nan 8.290 nan 0.000 0.889 380 G N -1.267 107.617 108.800 0.140 0.000 2.179 380 G HA2 -0.228 3.732 3.960 0.000 0.000 0.260 380 G HA3 -0.228 3.732 3.960 0.000 0.000 0.260 380 G C -0.103 174.878 174.900 0.135 0.000 0.977 380 G CA 0.625 45.799 45.100 0.123 0.000 0.641 380 G HN 0.561 nan 8.290 nan 0.000 0.533 381 E N 1.070 121.422 120.200 0.254 0.000 2.202 381 E HA 0.467 4.818 4.350 0.000 0.000 0.272 381 E C -2.570 174.189 176.600 0.266 0.000 0.951 381 E CA -2.021 54.530 56.400 0.252 0.000 0.813 381 E CB 2.146 32.083 29.700 0.395 0.000 1.151 381 E HN 0.191 nan 8.360 nan 0.000 0.398 382 P HA 0.224 nan 4.420 nan 0.000 0.281 382 P C -0.619 176.758 177.300 0.127 0.000 1.252 382 P CA -0.242 62.951 63.100 0.155 0.000 0.778 382 P CB 0.594 32.329 31.700 0.059 0.000 0.895 383 M N 1.514 121.225 119.600 0.184 0.000 2.259 383 M HA 0.353 4.833 4.480 0.000 0.000 0.304 383 M C 0.209 176.479 176.300 -0.050 0.000 1.019 383 M CA -0.952 54.333 55.300 -0.025 0.000 0.922 383 M CB 1.618 34.127 32.600 -0.153 0.000 1.600 383 M HN 0.402 nan 8.290 nan 0.000 0.433 384 E N 1.466 121.555 120.200 -0.185 0.000 2.360 384 E HA 0.312 4.662 4.350 0.000 0.000 0.269 384 E C -0.853 175.714 176.600 -0.055 0.000 1.022 384 E CA 0.257 56.623 56.400 -0.058 0.000 0.887 384 E CB 1.007 30.684 29.700 -0.038 0.000 0.990 384 E HN 0.682 nan 8.360 nan 0.000 0.426 385 T N 2.100 116.649 114.554 -0.008 0.000 2.887 385 T HA 0.762 5.112 4.350 0.000 0.000 0.292 385 T C -0.380 174.326 174.700 0.011 0.000 1.087 385 T CA 0.405 62.442 62.100 -0.105 0.000 1.009 385 T CB 1.388 70.041 68.868 -0.357 0.000 1.203 385 T HN 0.906 nan 8.240 nan 0.000 0.518 386 G N 2.181 110.956 108.800 -0.042 0.000 2.331 386 G HA2 0.002 3.962 3.960 0.000 0.000 0.479 386 G HA3 0.002 3.962 3.960 0.000 0.000 0.479 386 G C -2.513 172.390 174.900 0.004 0.000 1.262 386 G CA -0.157 44.951 45.100 0.013 0.000 1.029 386 G HN 0.562 nan 8.290 nan 0.000 0.487 387 P HA -0.008 nan 4.420 nan 0.000 0.216 387 P C 2.219 179.467 177.300 -0.086 0.000 1.150 387 P CA 1.080 64.166 63.100 -0.024 0.000 0.837 387 P CB 0.112 31.779 31.700 -0.055 0.000 0.786 388 L N -1.113 120.080 121.223 -0.051 0.000 2.056 388 L HA -0.138 4.202 4.340 0.000 0.000 0.207 388 L C 2.194 178.999 176.870 -0.109 0.000 1.078 388 L CA 1.733 56.518 54.840 -0.092 0.000 0.749 388 L CB -0.855 41.205 42.059 0.001 0.000 0.901 388 L HN -0.032 nan 8.230 nan 0.000 0.433 389 A N -0.573 122.279 122.820 0.052 0.000 1.902 389 A HA -0.310 4.010 4.320 0.000 0.000 0.217 389 A C 2.154 179.685 177.584 -0.089 0.000 1.181 389 A CA 1.937 54.010 52.037 0.060 0.000 0.623 389 A CB -0.576 18.500 19.000 0.126 0.000 0.818 389 A HN 0.579 nan 8.150 nan 0.000 0.443 390 Q N -0.414 119.296 119.800 -0.149 0.000 2.046 390 Q HA -0.116 4.224 4.340 0.000 0.000 0.200 390 Q C 1.923 177.734 176.000 -0.314 0.000 0.975 390 Q CA 2.006 57.654 55.803 -0.258 0.000 0.836 390 Q CB -0.226 28.310 28.738 -0.338 0.000 0.896 390 Q HN 0.362 nan 8.270 nan 0.000 0.428 391 V N 0.808 120.545 119.914 -0.294 0.000 2.307 391 V HA -0.262 3.858 4.120 0.000 0.000 0.245 391 V C 2.296 178.247 176.094 -0.237 0.000 1.045 391 V CA 1.634 63.770 62.300 -0.274 0.000 1.024 391 V CB -0.468 31.208 31.823 -0.244 0.000 0.651 391 V HN 0.414 nan 8.190 nan 0.000 0.449 392 L N -0.870 120.156 121.223 -0.329 0.000 2.093 392 L HA -0.129 4.211 4.340 0.000 0.000 0.208 392 L C 2.315 179.053 176.870 -0.220 0.000 1.085 392 L CA 1.485 56.030 54.840 -0.491 0.000 0.755 392 L CB -0.420 41.084 42.059 -0.924 0.000 0.904 392 L HN 0.273 nan 8.230 nan 0.000 0.435 393 I N -0.190 120.363 120.570 -0.030 0.000 2.286 393 I HA -0.229 3.941 4.170 0.000 0.000 0.245 393 I C 2.788 178.943 176.117 0.064 0.000 1.104 393 I CA 1.038 62.410 61.300 0.120 0.000 1.397 393 I CB -0.361 37.688 38.000 0.081 0.000 1.072 393 I HN 0.169 nan 8.210 nan 0.000 0.417 394 A N 0.135 122.949 122.820 -0.011 0.000 1.902 394 A HA -0.288 4.032 4.320 0.000 0.000 0.217 394 A C 2.290 179.907 177.584 0.056 0.000 1.181 394 A CA 1.478 53.525 52.037 0.017 0.000 0.623 394 A CB -1.098 17.847 19.000 -0.091 0.000 0.818 394 A HN 0.509 nan 8.150 nan 0.000 0.443 395 Y N 1.213 121.453 120.300 -0.101 0.000 2.128 395 Y HA -0.240 4.310 4.550 0.000 0.000 0.284 395 Y C 2.639 178.510 175.900 -0.049 0.000 1.154 395 Y CA 2.157 60.201 58.100 -0.094 0.000 1.149 395 Y CB -0.135 38.212 38.460 -0.189 0.000 0.976 395 Y HN 0.312 nan 8.280 nan 0.000 0.505 396 S N -0.226 115.594 115.700 0.201 0.000 2.481 396 S HA -0.133 4.337 4.470 0.000 0.000 0.231 396 S C 1.439 176.105 174.600 0.110 0.000 0.996 396 S CA 0.898 59.212 58.200 0.190 0.000 0.942 396 S CB -0.185 63.188 63.200 0.288 0.000 0.768 396 S HN 0.571 nan 8.310 nan 0.000 0.520 397 Q N 0.178 120.024 119.800 0.077 0.000 2.444 397 Q HA 0.223 4.563 4.340 0.000 0.000 0.206 397 Q C 1.222 177.218 176.000 -0.006 0.000 0.948 397 Q CA 0.312 56.141 55.803 0.043 0.000 0.946 397 Q CB 0.198 28.968 28.738 0.054 0.000 1.027 397 Q HN 0.576 nan 8.270 nan 0.000 0.513 398 G N 1.234 110.002 108.800 -0.054 0.000 2.137 398 G HA2 -0.323 3.637 3.960 0.000 0.000 0.237 398 G HA3 -0.323 3.637 3.960 0.000 0.000 0.237 398 G C -0.300 174.529 174.900 -0.118 0.000 1.002 398 G CA 0.069 45.099 45.100 -0.117 0.000 0.702 398 G HN 0.605 nan 8.290 nan 0.000 0.515 399 H N 1.170 120.129 119.070 -0.184 0.000 3.184 399 H HA 0.321 4.877 4.556 0.000 0.000 0.274 399 H C -0.630 174.581 175.328 -0.195 0.000 0.962 399 H CA -0.314 55.616 56.048 -0.196 0.000 1.441 399 H CB 0.975 30.630 29.762 -0.177 0.000 1.518 399 H HN 0.151 nan 8.280 nan 0.000 0.539 400 P HA -0.167 nan 4.420 nan 0.000 0.217 400 P C 1.101 178.415 177.300 0.023 0.000 1.150 400 P CA 1.097 64.142 63.100 -0.092 0.000 0.832 400 P CB 0.364 31.998 31.700 -0.110 0.000 0.787 401 K N -0.456 120.038 120.400 0.157 0.000 2.062 401 K HA -0.005 4.315 4.320 0.000 0.000 0.205 401 K C 2.063 178.770 176.600 0.179 0.000 1.051 401 K CA 0.927 57.338 56.287 0.207 0.000 0.941 401 K CB -1.297 31.401 32.500 0.330 0.000 0.719 401 K HN 0.081 nan 8.250 nan 0.000 0.440 402 V N 2.125 122.170 119.914 0.219 0.000 2.343 402 V HA -0.233 3.887 4.120 0.000 0.000 0.247 402 V C 2.594 178.726 176.094 0.063 0.000 1.051 402 V CA 1.788 64.121 62.300 0.055 0.000 1.036 402 V CB -0.434 31.333 31.823 -0.094 0.000 0.654 402 V HN 0.372 nan 8.190 nan 0.000 0.451 403 K N 0.360 120.728 120.400 -0.053 0.000 2.057 403 K HA -0.161 4.159 4.320 0.000 0.000 0.207 403 K C 2.177 178.778 176.600 0.002 0.000 1.049 403 K CA 1.529 57.694 56.287 -0.203 0.000 0.931 403 K CB -0.315 31.877 32.500 -0.513 0.000 0.714 403 K HN 0.412 nan 8.250 nan 0.000 0.440 404 A N 0.842 123.663 122.820 0.002 0.000 1.902 404 A HA -0.121 4.199 4.320 0.000 0.000 0.217 404 A C 2.201 179.803 177.584 0.030 0.000 1.181 404 A CA 1.797 53.844 52.037 0.017 0.000 0.623 404 A CB -0.727 18.284 19.000 0.018 0.000 0.818 404 A HN 0.323 nan 8.150 nan 0.000 0.443 405 V N -0.488 119.449 119.914 0.038 0.000 3.052 405 V HA -0.068 4.053 4.120 0.000 0.000 0.254 405 V C 2.359 178.454 176.094 0.003 0.000 1.100 405 V CA 2.563 64.870 62.300 0.012 0.000 1.112 405 V CB -0.907 30.917 31.823 0.003 0.000 0.738 405 V HN 0.721 nan 8.190 nan 0.000 0.469 406 T N -2.178 112.403 114.554 0.045 0.000 2.857 406 T HA -0.169 4.181 4.350 0.000 0.000 0.266 406 T C 1.616 176.316 174.700 -0.001 0.000 1.048 406 T CA 1.544 63.642 62.100 -0.004 0.000 1.139 406 T CB -0.610 68.233 68.868 -0.041 0.000 0.874 406 T HN 0.485 nan 8.240 nan 0.000 0.455 407 D N 1.948 122.398 120.400 0.083 0.000 2.123 407 D HA -0.013 4.627 4.640 0.000 0.000 0.196 407 D C 2.441 178.739 176.300 -0.004 0.000 0.992 407 D CA 1.623 55.653 54.000 0.050 0.000 0.833 407 D CB -0.694 40.154 40.800 0.081 0.000 0.954 407 D HN 0.615 nan 8.370 nan 0.000 0.455 408 A N 0.376 123.190 122.820 -0.009 0.000 1.930 408 A HA -0.095 4.225 4.320 0.000 0.000 0.217 408 A C 2.525 180.079 177.584 -0.050 0.000 1.175 408 A CA 0.954 52.974 52.037 -0.028 0.000 0.627 408 A CB -0.624 18.359 19.000 -0.028 0.000 0.815 408 A HN 0.141 nan 8.150 nan 0.000 0.443 409 V N -0.173 119.701 119.914 -0.066 0.000 2.295 409 V HA -0.225 3.895 4.120 0.000 0.000 0.246 409 V C 2.507 178.549 176.094 -0.087 0.000 1.049 409 V CA 1.820 64.066 62.300 -0.091 0.000 1.024 409 V CB -0.723 31.029 31.823 -0.118 0.000 0.648 409 V HN 0.478 nan 8.190 nan 0.000 0.447 410 L N 0.413 121.583 121.223 -0.090 0.000 2.012 410 L HA -0.170 4.170 4.340 0.000 0.000 0.210 410 L C 2.597 179.429 176.870 -0.063 0.000 1.073 410 L CA 2.479 57.265 54.840 -0.090 0.000 0.748 410 L CB -1.492 40.504 42.059 -0.105 0.000 0.891 410 L HN 0.326 nan 8.230 nan 0.000 0.431 411 A N -1.153 121.637 122.820 -0.049 0.000 1.930 411 A HA -0.226 4.094 4.320 0.000 0.000 0.217 411 A C 2.348 179.908 177.584 -0.039 0.000 1.175 411 A CA 1.765 53.780 52.037 -0.037 0.000 0.627 411 A CB -0.430 18.553 19.000 -0.027 0.000 0.815 411 A HN 0.301 nan 8.150 nan 0.000 0.443 412 K N 0.242 120.615 120.400 -0.046 0.000 2.097 412 K HA 0.022 4.342 4.320 0.000 0.000 0.206 412 K C 1.525 178.100 176.600 -0.043 0.000 1.049 412 K CA 1.396 57.656 56.287 -0.045 0.000 0.933 412 K CB -0.555 31.912 32.500 -0.055 0.000 0.717 412 K HN 0.466 nan 8.250 nan 0.000 0.442 413 L N -0.801 120.393 121.223 -0.049 0.000 2.492 413 L HA 0.151 4.491 4.340 0.000 0.000 0.223 413 L C 0.987 177.837 176.870 -0.033 0.000 1.132 413 L CA 0.458 55.273 54.840 -0.042 0.000 0.850 413 L CB -0.380 41.649 42.059 -0.050 0.000 0.966 413 L HN 0.529 nan 8.230 nan 0.000 0.454 414 G N 1.256 110.035 108.800 -0.035 0.000 2.246 414 G HA2 -0.228 3.732 3.960 0.000 0.000 0.273 414 G HA3 -0.228 3.732 3.960 0.000 0.000 0.273 414 G C 0.076 174.957 174.900 -0.032 0.000 1.055 414 G CA 0.383 45.465 45.100 -0.030 0.000 0.851 414 G HN 0.299 nan 8.290 nan 0.000 0.500 415 V N -2.835 117.054 119.914 -0.042 0.000 3.046 415 V HA 1.040 5.160 4.120 0.000 0.000 0.316 415 V C 0.844 176.903 176.094 -0.058 0.000 1.104 415 V CA -0.298 61.974 62.300 -0.046 0.000 1.006 415 V CB 1.787 33.581 31.823 -0.049 0.000 1.058 415 V HN 1.208 nan 8.190 nan 0.000 0.440 416 G N 0.308 109.075 108.800 -0.055 0.000 2.547 416 G HA2 0.597 4.557 3.960 0.000 0.000 0.291 416 G HA3 0.597 4.557 3.960 0.000 0.000 0.291 416 G C -1.481 173.357 174.900 -0.103 0.000 1.211 416 G CA -1.057 44.005 45.100 -0.063 0.000 0.950 416 G HN 0.684 nan 8.290 nan 0.000 0.504 417 P HA -0.043 nan 4.420 nan 0.000 0.223 417 P C 0.863 178.038 177.300 -0.209 0.000 1.151 417 P CA 0.911 63.871 63.100 -0.234 0.000 0.787 417 P CB 0.292 31.832 31.700 -0.266 0.000 0.788 418 E N 0.907 121.080 120.200 -0.045 0.000 2.265 418 E HA -0.096 4.254 4.350 0.000 0.000 0.196 418 E C 2.159 178.781 176.600 0.036 0.000 0.996 418 E CA 1.270 57.736 56.400 0.110 0.000 0.832 418 E CB -1.179 28.599 29.700 0.131 0.000 0.756 418 E HN 0.242 nan 8.360 nan 0.000 0.491 419 A N 0.843 123.623 122.820 -0.067 0.000 2.067 419 A HA -0.077 4.243 4.320 0.000 0.000 0.219 419 A C 2.002 179.504 177.584 -0.137 0.000 1.158 419 A CA 0.769 52.764 52.037 -0.070 0.000 0.661 419 A CB -0.542 18.414 19.000 -0.074 0.000 0.801 419 A HN 0.244 nan 8.150 nan 0.000 0.452 420 L N -1.763 119.268 121.223 -0.320 0.000 2.376 420 L HA -0.029 4.311 4.340 0.000 0.000 0.219 420 L C 0.211 176.822 176.870 -0.432 0.000 1.133 420 L CA 0.225 54.790 54.840 -0.458 0.000 0.816 420 L CB -0.304 41.331 42.059 -0.707 0.000 0.933 420 L HN 0.323 nan 8.230 nan 0.000 0.449 421 F N 0.815 120.751 119.950 -0.024 0.000 2.640 421 F HA 0.211 4.738 4.527 0.000 0.000 0.354 421 F C 0.738 176.585 175.800 0.078 0.000 1.213 421 F CA -0.398 57.643 58.000 0.068 0.000 1.314 421 F CB -0.487 38.577 39.000 0.108 0.000 1.679 421 F HN -0.017 nan 8.300 nan 0.000 0.622 422 S N -2.184 113.618 115.700 0.169 0.000 2.636 422 S HA 0.257 4.727 4.470 0.000 0.000 0.266 422 S C 0.516 175.195 174.600 0.131 0.000 1.147 422 S CA -0.693 57.601 58.200 0.155 0.000 0.815 422 S CB 1.131 64.397 63.200 0.109 0.000 1.119 422 S HN -0.001 nan 8.310 nan 0.000 0.470 423 T N 1.438 116.122 114.554 0.217 0.000 2.720 423 T HA -0.085 4.265 4.350 0.000 0.000 0.268 423 T C 1.751 176.581 174.700 0.217 0.000 1.037 423 T CA 1.590 63.836 62.100 0.242 0.000 1.144 423 T CB -0.480 68.698 68.868 0.517 0.000 0.864 423 T HN 0.538 nan 8.240 nan 0.000 0.444 424 L N 1.238 122.615 121.223 0.255 0.000 2.017 424 L HA -0.025 4.315 4.340 0.000 0.000 0.208 424 L C 2.601 179.493 176.870 0.035 0.000 1.073 424 L CA 2.335 57.264 54.840 0.150 0.000 0.745 424 L CB -1.590 40.575 42.059 0.177 0.000 0.894 424 L HN 0.386 nan 8.230 nan 0.000 0.432 425 G N -0.397 108.404 108.800 0.003 0.000 2.422 425 G HA2 -0.297 3.663 3.960 0.000 0.000 0.218 425 G HA3 -0.297 3.663 3.960 0.000 0.000 0.218 425 G C 1.792 176.630 174.900 -0.104 0.000 1.140 425 G CA 0.702 45.745 45.100 -0.094 0.000 0.775 425 G HN 0.413 nan 8.290 nan 0.000 0.545 426 R N -0.109 120.354 120.500 -0.061 0.000 2.075 426 R HA -0.067 4.273 4.340 0.000 0.000 0.232 426 R C 2.575 178.841 176.300 -0.056 0.000 1.126 426 R CA 1.848 57.897 56.100 -0.085 0.000 0.963 426 R CB -0.484 29.727 30.300 -0.147 0.000 0.858 426 R HN 0.310 nan 8.270 nan 0.000 0.435 427 T N 0.517 115.083 114.554 0.019 0.000 2.788 427 T HA -0.093 4.257 4.350 0.000 0.000 0.268 427 T C 1.810 176.497 174.700 -0.022 0.000 1.044 427 T CA 1.286 63.438 62.100 0.086 0.000 1.139 427 T CB -0.244 68.718 68.868 0.156 0.000 0.867 427 T HN 0.441 nan 8.240 nan 0.000 0.454 428 A N 1.428 124.198 122.820 -0.084 0.000 1.930 428 A HA 0.236 4.556 4.320 0.000 0.000 0.217 428 A C 2.648 180.132 177.584 -0.167 0.000 1.175 428 A CA 1.632 53.578 52.037 -0.151 0.000 0.627 428 A CB -1.030 17.880 19.000 -0.151 0.000 0.815 428 A HN 0.499 nan 8.150 nan 0.000 0.443 429 A N -0.179 122.547 122.820 -0.155 0.000 1.933 429 A HA -0.168 4.152 4.320 0.000 0.000 0.218 429 A C 2.219 179.716 177.584 -0.145 0.000 1.175 429 A CA 1.719 53.657 52.037 -0.165 0.000 0.628 429 A CB -0.489 18.405 19.000 -0.177 0.000 0.814 429 A HN 0.573 nan 8.150 nan 0.000 0.444 430 R N -0.529 119.882 120.500 -0.149 0.000 2.081 430 R HA -0.105 4.235 4.340 0.000 0.000 0.235 430 R C 2.228 178.447 176.300 -0.134 0.000 1.131 430 R CA 1.623 57.583 56.100 -0.234 0.000 0.960 430 R CB -0.666 29.475 30.300 -0.265 0.000 0.856 430 R HN 0.443 nan 8.270 nan 0.000 0.436 431 G N 0.965 109.663 108.800 -0.171 0.000 2.402 431 G HA2 -0.216 3.744 3.960 0.000 0.000 0.216 431 G HA3 -0.216 3.744 3.960 0.000 0.000 0.216 431 G C 1.472 176.230 174.900 -0.238 0.000 1.162 431 G CA 0.852 45.718 45.100 -0.389 0.000 0.777 431 G HN 0.275 nan 8.290 nan 0.000 0.539 432 I N 0.846 121.312 120.570 -0.175 0.000 2.163 432 I HA -0.214 3.956 4.170 0.000 0.000 0.243 432 I C 2.724 178.829 176.117 -0.020 0.000 1.085 432 I CA 1.808 63.045 61.300 -0.106 0.000 1.347 432 I CB -0.199 37.733 38.000 -0.113 0.000 1.044 432 I HN 0.377 nan 8.210 nan 0.000 0.408 433 E N 0.626 120.828 120.200 0.003 0.000 2.150 433 E HA -0.197 4.153 4.350 0.000 0.000 0.193 433 E C 1.970 178.702 176.600 0.221 0.000 0.985 433 E CA 1.761 58.214 56.400 0.088 0.000 0.814 433 E CB -0.015 29.729 29.700 0.072 0.000 0.752 433 E HN 0.413 nan 8.360 nan 0.000 0.466 434 T N 0.720 115.440 114.554 0.275 0.000 2.746 434 T HA -0.103 4.247 4.350 0.000 0.000 0.267 434 T C 1.906 176.734 174.700 0.214 0.000 1.039 434 T CA 1.423 63.732 62.100 0.349 0.000 1.142 434 T CB -0.282 68.853 68.868 0.445 0.000 0.866 434 T HN 0.375 nan 8.240 nan 0.000 0.444 435 A N 0.864 123.745 122.820 0.102 0.000 1.898 435 A HA 0.008 4.329 4.320 0.000 0.000 0.216 435 A C 2.588 180.251 177.584 0.132 0.000 1.181 435 A CA 1.112 53.192 52.037 0.071 0.000 0.620 435 A CB -0.919 18.071 19.000 -0.018 0.000 0.819 435 A HN 0.342 nan 8.150 nan 0.000 0.442 436 V N 0.291 120.302 119.914 0.162 0.000 2.307 436 V HA -0.254 3.866 4.120 0.000 0.000 0.245 436 V C 2.415 178.672 176.094 0.272 0.000 1.045 436 V CA 2.036 64.480 62.300 0.240 0.000 1.024 436 V CB -0.652 31.349 31.823 0.297 0.000 0.651 436 V HN 0.569 nan 8.190 nan 0.000 0.449 437 I N 0.420 121.151 120.570 0.267 0.000 2.286 437 I HA -0.217 3.953 4.170 0.000 0.000 0.248 437 I C 2.649 178.862 176.117 0.159 0.000 1.115 437 I CA 1.311 62.709 61.300 0.163 0.000 1.392 437 I CB -0.586 37.481 38.000 0.111 0.000 1.065 437 I HN 0.288 nan 8.210 nan 0.000 0.418 438 A N 0.398 123.359 122.820 0.235 0.000 1.908 438 A HA -0.281 4.039 4.320 0.000 0.000 0.218 438 A C 2.325 180.167 177.584 0.429 0.000 1.181 438 A CA 2.077 54.317 52.037 0.339 0.000 0.627 438 A CB -0.606 18.537 19.000 0.237 0.000 0.818 438 A HN 0.508 nan 8.150 nan 0.000 0.445 439 E N -1.888 118.476 120.200 0.274 0.000 2.072 439 E HA -0.207 4.143 4.350 0.000 0.000 0.190 439 E C 1.836 178.531 176.600 0.158 0.000 0.982 439 E CA 1.150 57.707 56.400 0.262 0.000 0.803 439 E CB -0.294 29.520 29.700 0.190 0.000 0.755 439 E HN 0.671 nan 8.360 nan 0.000 0.453 440 Y N 0.624 120.850 120.300 -0.124 0.000 2.352 440 Y HA -0.138 4.412 4.550 0.000 0.000 0.292 440 Y C 1.928 177.556 175.900 -0.454 0.000 1.136 440 Y CA 0.762 58.597 58.100 -0.442 0.000 1.227 440 Y CB -0.155 37.744 38.460 -0.935 0.000 0.991 440 Y HN -0.088 nan 8.280 nan 0.000 0.545 441 V N -0.185 119.475 119.914 -0.424 0.000 2.392 441 V HA -0.317 3.803 4.120 0.000 0.000 0.249 441 V C 2.559 178.141 176.094 -0.852 0.000 1.059 441 V CA 1.969 63.906 62.300 -0.605 0.000 1.051 441 V CB -1.458 30.098 31.823 -0.445 0.000 0.658 441 V HN 0.607 nan 8.190 nan 0.000 0.455 442 G N -0.540 107.772 108.800 -0.814 0.000 2.408 442 G HA2 -0.179 3.781 3.960 0.000 0.000 0.217 442 G HA3 -0.179 3.781 3.960 0.000 0.000 0.217 442 G C 1.644 176.265 174.900 -0.464 0.000 1.150 442 G CA 1.130 45.743 45.100 -0.810 0.000 0.776 442 G HN 0.398 nan 8.290 nan 0.000 0.542 443 V N 1.155 120.810 119.914 -0.431 0.000 2.295 443 V HA -0.204 3.916 4.120 0.000 0.000 0.246 443 V C 2.908 178.709 176.094 -0.489 0.000 1.049 443 V CA 2.045 64.111 62.300 -0.390 0.000 1.024 443 V CB -0.458 31.155 31.823 -0.350 0.000 0.648 443 V HN 0.357 nan 8.190 nan 0.000 0.447 444 M N -0.942 118.210 119.600 -0.747 0.000 2.149 444 M HA -0.218 4.262 4.480 0.000 0.000 0.261 444 M C 2.260 178.311 176.300 -0.414 0.000 1.064 444 M CA 1.855 56.828 55.300 -0.545 0.000 1.102 444 M CB -0.457 31.782 32.600 -0.601 0.000 1.369 444 M HN 0.298 nan 8.290 nan 0.000 0.408 445 L N -0.133 120.848 121.223 -0.403 0.000 2.046 445 L HA -0.253 4.087 4.340 0.000 0.000 0.208 445 L C 2.580 179.317 176.870 -0.222 0.000 1.077 445 L CA 1.571 56.257 54.840 -0.257 0.000 0.747 445 L CB -0.367 41.529 42.059 -0.271 0.000 0.896 445 L HN 0.330 nan 8.230 nan 0.000 0.432 446 Q N 0.422 120.073 119.800 -0.250 0.000 2.084 446 Q HA -0.232 4.108 4.340 0.000 0.000 0.202 446 Q C 1.905 177.764 176.000 -0.235 0.000 0.978 446 Q CA 1.788 57.475 55.803 -0.194 0.000 0.844 446 Q CB -0.028 28.623 28.738 -0.145 0.000 0.898 446 Q HN 0.475 nan 8.270 nan 0.000 0.426 447 E N -1.267 118.751 120.200 -0.304 0.000 2.106 447 E HA -0.203 4.147 4.350 0.000 0.000 0.192 447 E C 1.728 177.963 176.600 -0.608 0.000 0.984 447 E CA 1.059 57.244 56.400 -0.358 0.000 0.806 447 E CB -0.291 29.246 29.700 -0.271 0.000 0.750 447 E HN 0.535 nan 8.360 nan 0.000 0.458 448 Y N 1.940 121.663 120.300 -0.962 0.000 2.114 448 Y HA -0.243 4.307 4.550 0.000 0.000 0.284 448 Y C 2.113 177.758 175.900 -0.425 0.000 1.143 448 Y CA 1.479 59.042 58.100 -0.895 0.000 1.135 448 Y CB 0.159 38.209 38.460 -0.683 0.000 0.980 448 Y HN -0.161 nan 8.280 nan 0.000 0.499 449 K N 0.108 120.247 120.400 -0.434 0.000 2.074 449 K HA -0.215 4.105 4.320 0.000 0.000 0.209 449 K C 1.536 177.969 176.600 -0.277 0.000 1.048 449 K CA 1.845 57.901 56.287 -0.386 0.000 0.926 449 K CB -0.243 32.118 32.500 -0.230 0.000 0.713 449 K HN 0.387 nan 8.250 nan 0.000 0.444 450 D N 0.199 120.467 120.400 -0.220 0.000 2.144 450 D HA -0.168 4.472 4.640 0.000 0.000 0.199 450 D C 1.571 177.801 176.300 -0.116 0.000 0.984 450 D CA 0.886 54.802 54.000 -0.140 0.000 0.834 450 D CB -0.342 40.395 40.800 -0.104 0.000 0.955 450 D HN 0.266 nan 8.370 nan 0.000 0.465 451 N N 0.419 119.040 118.700 -0.133 0.000 2.171 451 N HA -0.079 4.661 4.740 0.000 0.000 0.184 451 N C 1.977 177.446 175.510 -0.069 0.000 1.021 451 N CA 0.417 53.446 53.050 -0.035 0.000 0.854 451 N CB 0.087 38.631 38.487 0.096 0.000 0.994 451 N HN 0.119 nan 8.380 nan 0.000 0.426 452 I N 1.294 121.758 120.570 -0.176 0.000 2.286 452 I HA -0.216 3.954 4.170 0.000 0.000 0.248 452 I C 2.420 178.469 176.117 -0.112 0.000 1.115 452 I CA 0.980 62.177 61.300 -0.171 0.000 1.392 452 I CB -0.277 37.531 38.000 -0.319 0.000 1.065 452 I HN 0.153 nan 8.210 nan 0.000 0.418 453 A N 0.604 123.354 122.820 -0.118 0.000 2.067 453 A HA -0.157 4.163 4.320 0.000 0.000 0.219 453 A C 2.122 179.677 177.584 -0.048 0.000 1.158 453 A CA 1.186 53.176 52.037 -0.079 0.000 0.661 453 A CB -0.378 18.574 19.000 -0.080 0.000 0.801 453 A HN 0.368 nan 8.150 nan 0.000 0.452 454 K N -1.276 119.100 120.400 -0.039 0.000 2.525 454 K HA 0.186 4.506 4.320 0.000 0.000 0.192 454 K C 1.007 177.601 176.600 -0.009 0.000 1.029 454 K CA 0.498 56.775 56.287 -0.017 0.000 1.029 454 K CB -0.045 32.453 32.500 -0.003 0.000 0.814 454 K HN 0.645 nan 8.250 nan 0.000 0.503 455 G N 2.462 111.253 108.800 -0.015 0.000 2.144 455 G HA2 -0.208 3.752 3.960 0.000 0.000 0.218 455 G HA3 -0.208 3.752 3.960 0.000 0.000 0.218 455 G C -0.576 174.330 174.900 0.009 0.000 0.988 455 G CA -0.086 45.012 45.100 -0.005 0.000 0.659 455 G HN 0.355 nan 8.290 nan 0.000 0.522 456 D N 1.122 121.530 120.400 0.013 0.000 2.393 456 D HA 0.333 4.973 4.640 0.000 0.000 0.232 456 D C 1.267 177.592 176.300 0.041 0.000 1.192 456 D CA -0.125 53.897 54.000 0.037 0.000 0.882 456 D CB -0.577 40.257 40.800 0.056 0.000 1.038 456 D HN 0.592 nan 8.370 nan 0.000 0.499 457 N N 2.079 120.812 118.700 0.055 0.000 2.234 457 N HA 0.089 4.829 4.740 0.000 0.000 0.227 457 N C -0.602 174.980 175.510 0.121 0.000 1.151 457 N CA -0.562 52.534 53.050 0.076 0.000 0.865 457 N CB 0.715 39.247 38.487 0.075 0.000 1.066 457 N HN -0.015 nan 8.380 nan 0.000 0.515 458 V N 2.228 122.204 119.914 0.105 0.000 2.498 458 V HA 0.201 4.321 4.120 0.000 0.000 0.279 458 V C 1.110 177.251 176.094 0.079 0.000 1.048 458 V CA -0.492 61.877 62.300 0.115 0.000 0.967 458 V CB 1.130 33.011 31.823 0.097 0.000 0.988 458 V HN 0.411 nan 8.190 nan 0.000 0.473 459 I N 0.703 121.297 120.570 0.040 0.000 4.526 459 I HA 0.476 4.646 4.170 0.000 0.000 0.330 459 I C 0.329 176.428 176.117 -0.030 0.000 1.323 459 I CA 0.128 61.399 61.300 -0.048 0.000 1.218 459 I CB 0.780 38.644 38.000 -0.226 0.000 1.233 459 I HN 0.571 nan 8.210 nan 0.000 0.430 460 C N 2.168 121.491 119.300 0.039 0.000 2.783 460 C HA 0.866 5.326 4.460 0.000 0.000 0.312 460 C C -0.080 174.986 174.990 0.127 0.000 1.182 460 C CA -0.030 59.036 59.018 0.080 0.000 1.432 460 C CB 1.178 28.978 27.740 0.100 0.000 1.933 460 C HN 0.501 nan 8.230 nan 0.000 0.473 461 A N 6.268 129.180 122.820 0.154 0.000 2.340 461 A HA 0.956 5.276 4.320 0.000 0.000 0.331 461 A C -2.710 175.032 177.584 0.264 0.000 1.140 461 A CA -1.110 51.032 52.037 0.175 0.000 0.801 461 A CB 1.026 20.123 19.000 0.161 0.000 1.234 461 A HN 0.758 nan 8.150 nan 0.000 0.469 462 P HA 0.441 nan 4.420 nan 0.000 0.276 462 P C -0.861 176.608 177.300 0.282 0.000 1.244 462 P CA -0.048 63.152 63.100 0.167 0.000 0.801 462 P CB 0.644 32.376 31.700 0.053 0.000 1.006 463 W N -0.719 120.608 121.300 0.046 0.000 3.005 463 W HA 0.548 5.208 4.660 0.000 0.000 0.343 463 W C -1.627 174.917 176.519 0.041 0.000 1.243 463 W CA -0.774 56.599 57.345 0.048 0.000 1.186 463 W CB 0.954 30.445 29.460 0.053 0.000 1.453 463 W HN 0.313 nan 8.180 nan 0.000 0.575 464 E N 1.313 121.657 120.200 0.239 0.000 2.293 464 E HA 0.382 4.732 4.350 0.000 0.000 0.270 464 E C -1.088 175.684 176.600 0.286 0.000 0.879 464 E CA -1.369 55.044 56.400 0.021 0.000 0.756 464 E CB 3.125 32.837 29.700 0.021 0.000 1.208 464 E HN 0.295 nan 8.360 nan 0.000 0.428 465 M N 4.594 124.309 119.600 0.191 0.000 2.146 465 M HA 0.244 4.724 4.480 0.000 0.000 0.352 465 M C -2.346 174.057 176.300 0.172 0.000 1.343 465 M CA -1.680 53.811 55.300 0.319 0.000 1.115 465 M CB 0.482 33.240 32.600 0.264 0.000 1.657 465 M HN 0.194 nan 8.290 nan 0.000 0.471 466 P HA 0.228 nan 4.420 nan 0.000 0.276 466 P C -0.476 176.869 177.300 0.075 0.000 1.244 466 P CA -0.334 62.822 63.100 0.094 0.000 0.801 466 P CB 0.874 32.623 31.700 0.082 0.000 1.006 467 K N 0.127 120.557 120.400 0.049 0.000 2.103 467 K HA -0.037 4.283 4.320 0.000 0.000 0.204 467 K C 0.937 177.555 176.600 0.030 0.000 1.052 467 K CA 1.155 57.465 56.287 0.039 0.000 0.945 467 K CB 0.120 32.636 32.500 0.026 0.000 0.722 467 K HN 0.568 nan 8.250 nan 0.000 0.443 468 Q N -0.929 118.883 119.800 0.020 0.000 2.323 468 Q HA 0.559 4.899 4.340 0.000 0.000 0.271 468 Q C -1.860 174.135 176.000 -0.009 0.000 1.048 468 Q CA -0.536 55.267 55.803 0.001 0.000 0.792 468 Q CB 2.245 30.976 28.738 -0.010 0.000 1.280 468 Q HN 0.143 nan 8.270 nan 0.000 0.441 469 A N 2.858 125.661 122.820 -0.028 0.000 2.583 469 A HA 0.560 4.880 4.320 0.000 0.000 0.292 469 A C -1.913 175.610 177.584 -0.102 0.000 1.045 469 A CA -0.815 51.193 52.037 -0.048 0.000 0.672 469 A CB 1.410 20.410 19.000 -0.001 0.000 1.283 469 A HN 0.784 nan 8.150 nan 0.000 0.419 470 E N 0.568 120.667 120.200 -0.169 0.000 2.238 470 E HA 0.741 5.092 4.350 0.000 0.000 0.267 470 E C -0.051 176.520 176.600 -0.048 0.000 0.887 470 E CA -0.727 55.508 56.400 -0.276 0.000 0.769 470 E CB 2.317 31.511 29.700 -0.843 0.000 1.187 470 E HN 1.298 nan 8.360 nan 0.000 0.416 471 G N 0.587 109.495 108.800 0.180 0.000 2.660 471 G HA2 0.549 4.509 3.960 0.000 0.000 0.294 471 G HA3 0.549 4.509 3.960 0.000 0.000 0.294 471 G C -1.655 173.371 174.900 0.209 0.000 1.369 471 G CA -0.695 44.516 45.100 0.184 0.000 0.912 471 G HN 0.518 nan 8.290 nan 0.000 0.479 472 V N -0.363 119.462 119.914 -0.150 0.000 2.971 472 V HA 0.933 5.053 4.120 0.000 0.000 0.309 472 V C -0.157 175.440 176.094 -0.828 0.000 1.130 472 V CA 0.145 61.975 62.300 -0.784 0.000 0.964 472 V CB 2.157 33.139 31.823 -1.403 0.000 1.029 472 V HN 1.478 nan 8.190 nan 0.000 0.427 473 G N 4.348 112.558 108.800 -0.983 0.000 2.566 473 G HA2 0.729 4.689 3.960 0.000 0.000 0.311 473 G HA3 0.729 4.689 3.960 0.000 0.000 0.311 473 G C -1.668 172.683 174.900 -0.914 0.000 1.322 473 G CA -0.486 44.164 45.100 -0.750 0.000 0.969 473 G HN 0.544 nan 8.290 nan 0.000 0.490 474 F N 1.390 121.149 119.950 -0.318 0.000 2.467 474 F HA 0.587 5.114 4.527 0.000 0.000 0.336 474 F C 0.003 175.725 175.800 -0.130 0.000 1.123 474 F CA -0.893 56.983 58.000 -0.206 0.000 0.964 474 F CB 2.803 41.657 39.000 -0.244 0.000 1.136 474 F HN 0.220 nan 8.300 nan 0.000 0.447 475 V N 3.044 123.031 119.914 0.122 0.000 2.709 475 V HA 0.302 4.423 4.120 0.000 0.000 0.308 475 V C -0.644 175.483 176.094 0.056 0.000 1.062 475 V CA -1.042 61.253 62.300 -0.008 0.000 0.901 475 V CB 2.062 33.777 31.823 -0.180 0.000 1.003 475 V HN 0.709 nan 8.190 nan 0.000 0.425 476 N N 2.956 121.665 118.700 0.015 0.000 2.500 476 N HA 0.518 5.258 4.740 0.000 0.000 0.236 476 N C -0.103 175.412 175.510 0.009 0.000 1.022 476 N CA -0.041 53.004 53.050 -0.008 0.000 0.935 476 N CB 1.671 40.174 38.487 0.027 0.000 1.147 476 N HN 0.887 nan 8.380 nan 0.000 0.512 477 A N 4.322 127.074 122.820 -0.113 0.000 2.246 477 A HA 0.433 4.753 4.320 0.000 0.000 0.291 477 A C -1.431 175.917 177.584 -0.393 0.000 1.103 477 A CA -1.212 50.669 52.037 -0.259 0.000 0.844 477 A CB 0.132 18.999 19.000 -0.223 0.000 1.136 477 A HN 0.436 nan 8.150 nan 0.000 0.500 478 P HA -0.113 nan 4.420 nan 0.000 0.220 478 P C 0.875 178.161 177.300 -0.022 0.000 1.144 478 P CA 1.356 64.147 63.100 -0.516 0.000 0.800 478 P CB 0.108 31.504 31.700 -0.507 0.000 0.772 479 R N -2.007 118.466 120.500 -0.045 0.000 2.362 479 R HA 0.417 4.758 4.340 0.000 0.000 0.227 479 R C 1.055 177.351 176.300 -0.008 0.000 0.905 479 R CA 0.410 56.521 56.100 0.018 0.000 1.067 479 R CB 0.465 30.791 30.300 0.043 0.000 1.078 479 R HN 0.186 nan 8.270 nan 0.000 0.516 480 G N -0.367 108.391 108.800 -0.070 0.000 2.265 480 G HA2 -0.090 3.870 3.960 0.000 0.000 0.246 480 G HA3 -0.090 3.870 3.960 0.000 0.000 0.246 480 G C -0.748 173.976 174.900 -0.293 0.000 1.299 480 G CA -0.775 44.225 45.100 -0.165 0.000 1.117 480 G HN 0.188 nan 8.290 nan 0.000 0.485 481 G N -0.212 108.212 108.800 -0.627 0.000 2.360 481 G HA2 0.627 4.587 3.960 0.000 0.000 0.279 481 G HA3 0.627 4.587 3.960 0.000 0.000 0.279 481 G C -0.329 174.293 174.900 -0.463 0.000 1.189 481 G CA 0.401 44.804 45.100 -1.161 0.000 0.941 481 G HN 1.363 nan 8.290 nan 0.000 0.445 482 L N 3.417 124.646 121.223 0.010 0.000 2.307 482 L HA 0.775 5.115 4.340 0.000 0.000 0.284 482 L C 0.138 177.269 176.870 0.435 0.000 1.023 482 L CA -0.547 54.428 54.840 0.224 0.000 0.810 482 L CB 1.868 43.912 42.059 -0.025 0.000 1.231 482 L HN 0.505 nan 8.230 nan 0.000 0.423 483 S N 2.541 118.511 115.700 0.451 0.000 2.548 483 S HA 0.605 5.075 4.470 0.000 0.000 0.276 483 S C -0.936 173.753 174.600 0.147 0.000 1.129 483 S CA -0.774 57.488 58.200 0.103 0.000 0.931 483 S CB 1.010 64.296 63.200 0.143 0.000 1.068 483 S HN 0.762 nan 8.310 nan 0.000 0.480 484 H N 0.519 119.320 119.070 -0.449 0.000 2.495 484 H HA 0.455 5.011 4.556 0.000 0.000 0.348 484 H C -1.539 173.336 175.328 -0.754 0.000 1.113 484 H CA -0.683 55.162 56.048 -0.338 0.000 1.195 484 H CB 1.273 30.967 29.762 -0.113 0.000 1.521 484 H HN 0.615 nan 8.280 nan 0.000 0.509 485 W N 4.121 125.092 121.300 -0.548 0.000 2.619 485 W HA 0.476 5.136 4.660 0.000 0.000 0.327 485 W C -0.687 175.509 176.519 -0.538 0.000 1.027 485 W CA -0.525 56.524 57.345 -0.493 0.000 1.233 485 W CB 1.185 30.335 29.460 -0.516 0.000 1.370 485 W HN 0.323 nan 8.180 nan 0.000 0.453 486 I N 3.604 124.146 120.570 -0.045 0.000 2.569 486 I HA 0.544 4.714 4.170 0.000 0.000 0.296 486 I C -0.460 175.747 176.117 0.150 0.000 1.028 486 I CA -1.384 59.858 61.300 -0.096 0.000 1.082 486 I CB 1.555 39.478 38.000 -0.129 0.000 1.264 486 I HN 0.482 nan 8.210 nan 0.000 0.429 487 R N 8.370 128.931 120.500 0.102 0.000 2.310 487 R HA 0.538 4.878 4.340 0.000 0.000 0.324 487 R C -1.739 174.586 176.300 0.042 0.000 0.955 487 R CA -0.566 55.553 56.100 0.031 0.000 0.830 487 R CB 0.993 31.308 30.300 0.026 0.000 1.154 487 R HN 0.637 nan 8.270 nan 0.000 0.458 488 I N 3.413 123.995 120.570 0.020 0.000 2.331 488 I HA 0.214 4.384 4.170 0.000 0.000 0.292 488 I C -0.279 175.851 176.117 0.022 0.000 0.998 488 I CA -0.446 60.878 61.300 0.040 0.000 1.267 488 I CB 1.684 39.714 38.000 0.049 0.000 1.386 488 I HN 0.630 nan 8.210 nan 0.000 0.476 489 E N 5.640 125.858 120.200 0.030 0.000 2.241 489 E HA 0.207 4.557 4.350 0.000 0.000 0.263 489 E C -0.482 176.134 176.600 0.026 0.000 0.882 489 E CA -0.378 56.034 56.400 0.020 0.000 0.769 489 E CB 0.982 30.691 29.700 0.016 0.000 1.185 489 E HN 0.513 nan 8.360 nan 0.000 0.415 490 D N 3.870 124.284 120.400 0.023 0.000 2.837 490 D HA -0.196 4.444 4.640 0.000 0.000 0.230 490 D C 0.747 177.069 176.300 0.036 0.000 1.152 490 D CA 2.351 56.367 54.000 0.026 0.000 0.736 490 D CB -1.208 39.605 40.800 0.022 0.000 1.084 490 D HN 1.034 nan 8.370 nan 0.000 0.429 491 G N -1.088 107.740 108.800 0.046 0.000 2.175 491 G HA2 -0.351 3.609 3.960 0.000 0.000 0.265 491 G HA3 -0.351 3.609 3.960 0.000 0.000 0.265 491 G C 0.423 175.366 174.900 0.071 0.000 0.979 491 G CA 1.042 46.181 45.100 0.065 0.000 0.663 491 G HN 0.545 nan 8.290 nan 0.000 0.533 492 K N -0.433 120.001 120.400 0.058 0.000 2.280 492 K HA 0.610 4.930 4.320 0.000 0.000 0.234 492 K C 0.509 177.147 176.600 0.063 0.000 1.028 492 K CA -1.215 55.105 56.287 0.055 0.000 0.882 492 K CB 1.343 33.866 32.500 0.038 0.000 1.194 492 K HN 0.137 nan 8.250 nan 0.000 0.458 493 I N 2.107 122.714 120.570 0.062 0.000 2.483 493 I HA -0.025 4.145 4.170 0.000 0.000 0.291 493 I C 1.482 177.643 176.117 0.073 0.000 1.112 493 I CA 0.266 61.623 61.300 0.094 0.000 1.350 493 I CB 0.481 38.537 38.000 0.093 0.000 1.419 493 I HN 0.820 nan 8.210 nan 0.000 0.523 494 G N 5.510 114.354 108.800 0.075 0.000 2.411 494 G HA2 -0.093 3.867 3.960 0.000 0.000 0.213 494 G HA3 -0.093 3.867 3.960 0.000 0.000 0.213 494 G C 0.563 175.507 174.900 0.074 0.000 1.166 494 G CA 0.384 45.519 45.100 0.058 0.000 0.802 494 G HN 0.536 nan 8.290 nan 0.000 0.533 495 N N -1.620 117.143 118.700 0.104 0.000 2.308 495 N HA 0.463 5.203 4.740 0.000 0.000 0.283 495 N C -2.409 173.210 175.510 0.181 0.000 1.105 495 N CA -0.911 52.213 53.050 0.123 0.000 0.840 495 N CB 1.961 40.510 38.487 0.103 0.000 1.633 495 N HN -0.078 nan 8.380 nan 0.000 0.476 496 F N 2.099 122.077 119.950 0.046 0.000 2.579 496 F HA 0.459 4.986 4.527 0.000 0.000 0.325 496 F C -1.033 174.778 175.800 0.017 0.000 1.162 496 F CA -0.395 57.627 58.000 0.037 0.000 0.946 496 F CB 1.352 40.336 39.000 -0.026 0.000 1.211 496 F HN 0.239 nan 8.300 nan 0.000 0.447 497 Q N 6.613 126.433 119.800 0.034 0.000 2.337 497 Q HA 0.513 4.853 4.340 0.000 0.000 0.270 497 Q C -1.185 174.855 176.000 0.066 0.000 1.043 497 Q CA -0.673 55.171 55.803 0.068 0.000 0.794 497 Q CB 3.112 31.823 28.738 -0.044 0.000 1.281 497 Q HN 0.672 nan 8.270 nan 0.000 0.446 498 L N 2.080 123.298 121.223 -0.008 0.000 2.295 498 L HA 0.607 4.947 4.340 0.000 0.000 0.285 498 L C -0.296 176.590 176.870 0.026 0.000 1.035 498 L CA -1.038 53.713 54.840 -0.149 0.000 0.806 498 L CB 1.475 43.114 42.059 -0.699 0.000 1.214 498 L HN 0.203 nan 8.230 nan 0.000 0.426 499 V N 4.482 124.531 119.914 0.225 0.000 2.376 499 V HA 0.419 4.539 4.120 0.000 0.000 0.287 499 V C 0.052 176.362 176.094 0.361 0.000 1.015 499 V CA -0.546 61.901 62.300 0.245 0.000 0.834 499 V CB 2.022 34.010 31.823 0.274 0.000 1.001 499 V HN 0.466 nan 8.190 nan 0.000 0.428 500 V N 6.921 127.023 119.914 0.313 0.000 2.769 500 V HA 0.416 4.536 4.120 0.000 0.000 0.312 500 V C -1.445 174.867 176.094 0.363 0.000 1.058 500 V CA -1.709 60.798 62.300 0.345 0.000 0.952 500 V CB 2.302 34.342 31.823 0.362 0.000 1.019 500 V HN 0.553 nan 8.190 nan 0.000 0.445 501 P HA -0.121 nan 4.420 nan 0.000 0.215 501 P C 1.580 179.036 177.300 0.259 0.000 1.157 501 P CA 1.462 64.712 63.100 0.249 0.000 0.874 501 P CB 0.187 31.932 31.700 0.075 0.000 0.790 502 S N -1.059 114.765 115.700 0.207 0.000 2.447 502 S HA -0.087 4.383 4.470 0.000 0.000 0.233 502 S C 1.784 176.480 174.600 0.160 0.000 1.006 502 S CA 1.555 59.858 58.200 0.171 0.000 0.957 502 S CB -1.201 62.093 63.200 0.158 0.000 0.773 502 S HN 0.325 nan 8.310 nan 0.000 0.507 503 T N 0.749 115.410 114.554 0.179 0.000 2.708 503 T HA -0.135 4.215 4.350 0.000 0.000 0.266 503 T C 1.334 176.054 174.700 0.033 0.000 1.037 503 T CA 1.176 63.327 62.100 0.084 0.000 1.146 503 T CB -0.434 68.463 68.868 0.049 0.000 0.865 503 T HN 0.547 nan 8.240 nan 0.000 0.435 504 W N 1.625 122.962 121.300 0.061 0.000 2.333 504 W HA -0.126 4.534 4.660 0.000 0.000 0.316 504 W C 2.859 179.364 176.519 -0.023 0.000 1.215 504 W CA 1.314 58.677 57.345 0.029 0.000 1.278 504 W CB -0.988 28.479 29.460 0.012 0.000 1.154 504 W HN 0.156 nan 8.180 nan 0.000 0.486 505 T N -0.138 114.538 114.554 0.203 0.000 2.937 505 T HA -0.002 4.348 4.350 0.000 0.000 0.260 505 T C 1.475 176.101 174.700 -0.123 0.000 1.051 505 T CA 0.755 62.856 62.100 0.002 0.000 1.141 505 T CB -0.087 68.784 68.868 0.005 0.000 0.879 505 T HN -0.120 nan 8.240 nan 0.000 0.459 506 L N 0.502 121.703 121.223 -0.037 0.000 2.858 506 L HA 0.364 4.704 4.340 0.000 0.000 0.251 506 L C 1.445 178.317 176.870 0.003 0.000 1.149 506 L CA 0.081 54.895 54.840 -0.044 0.000 0.955 506 L CB -0.968 41.093 42.059 0.004 0.000 1.289 506 L HN 0.187 nan 8.230 nan 0.000 0.542 507 G N 1.765 110.567 108.800 0.004 0.000 2.716 507 G HA2 0.256 4.216 3.960 0.000 0.000 0.251 507 G HA3 0.256 4.216 3.960 0.000 0.000 0.251 507 G C -2.220 172.660 174.900 -0.032 0.000 1.224 507 G CA -0.350 44.739 45.100 -0.017 0.000 0.891 507 G HN 0.014 nan 8.290 nan 0.000 0.561 508 P HA 0.232 nan 4.420 nan 0.000 0.312 508 P C -0.143 177.133 177.300 -0.040 0.000 1.308 508 P CA -0.712 62.325 63.100 -0.106 0.000 0.743 508 P CB 0.979 32.319 31.700 -0.600 0.000 1.364 509 R N -1.093 119.408 120.500 0.002 0.000 2.738 509 R HA 0.179 4.519 4.340 0.000 0.000 0.268 509 R C 0.648 176.998 176.300 0.084 0.000 1.062 509 R CA -0.150 55.931 56.100 -0.032 0.000 1.158 509 R CB -0.336 29.823 30.300 -0.235 0.000 1.046 509 R HN 0.615 nan 8.270 nan 0.000 0.493 510 C N -0.593 118.722 119.300 0.024 0.000 2.534 510 C HA 0.337 4.797 4.460 0.000 0.000 0.398 510 C C 1.282 176.318 174.990 0.076 0.000 1.609 510 C CA -0.590 58.366 59.018 -0.103 0.000 1.916 510 C CB 0.665 28.018 27.740 -0.645 0.000 1.954 510 C HN 0.945 nan 8.230 nan 0.000 0.508 511 D N -0.771 119.656 120.400 0.045 0.000 2.352 511 D HA -0.031 4.609 4.640 0.000 0.000 0.232 511 D C 1.005 177.351 176.300 0.077 0.000 1.055 511 D CA 0.644 54.711 54.000 0.112 0.000 0.891 511 D CB -0.644 40.266 40.800 0.183 0.000 0.897 511 D HN 0.724 nan 8.370 nan 0.000 0.529 512 K N -0.026 120.382 120.400 0.014 0.000 2.373 512 K HA 0.187 4.507 4.320 0.000 0.000 0.202 512 K C -0.188 176.432 176.600 0.034 0.000 1.025 512 K CA -0.179 56.121 56.287 0.021 0.000 1.115 512 K CB -0.098 32.396 32.500 -0.010 0.000 0.858 512 K HN 0.045 nan 8.250 nan 0.000 0.525 513 N N 1.507 120.257 118.700 0.083 0.000 2.741 513 N HA -0.186 4.554 4.740 0.000 0.000 0.250 513 N C -1.147 174.346 175.510 -0.028 0.000 1.115 513 N CA 0.428 53.515 53.050 0.060 0.000 0.724 513 N CB -0.716 37.812 38.487 0.069 0.000 1.090 513 N HN 0.186 nan 8.380 nan 0.000 0.558 514 K N 1.083 121.461 120.400 -0.037 0.000 2.339 514 K HA 0.203 4.523 4.320 0.000 0.000 0.286 514 K C 0.137 176.702 176.600 -0.059 0.000 1.050 514 K CA -0.453 55.807 56.287 -0.045 0.000 0.956 514 K CB 0.771 33.249 32.500 -0.037 0.000 0.990 514 K HN 0.012 nan 8.250 nan 0.000 0.475 515 L N 2.638 123.821 121.223 -0.068 0.000 2.490 515 L HA -0.055 4.286 4.340 0.000 0.000 0.274 515 L C 0.955 177.794 176.870 -0.051 0.000 1.201 515 L CA 0.596 55.389 54.840 -0.079 0.000 0.869 515 L CB 0.415 42.415 42.059 -0.099 0.000 1.123 515 L HN 0.736 nan 8.230 nan 0.000 0.484 516 S N 3.385 119.057 115.700 -0.048 0.000 2.596 516 S HA 0.281 4.751 4.470 0.000 0.000 0.260 516 S C -1.761 172.797 174.600 -0.070 0.000 1.336 516 S CA -0.915 57.261 58.200 -0.041 0.000 0.993 516 S CB 0.341 63.518 63.200 -0.039 0.000 0.923 516 S HN 0.519 nan 8.310 nan 0.000 0.567 517 P HA -0.111 nan 4.420 nan 0.000 0.215 517 P C 1.704 178.870 177.300 -0.223 0.000 1.157 517 P CA 0.767 63.796 63.100 -0.118 0.000 0.874 517 P CB -0.130 31.495 31.700 -0.124 0.000 0.790 518 V N -0.099 119.557 119.914 -0.429 0.000 2.427 518 V HA -0.242 3.878 4.120 0.000 0.000 0.248 518 V C 2.057 178.081 176.094 -0.116 0.000 1.051 518 V CA 1.955 63.983 62.300 -0.455 0.000 1.048 518 V CB -0.882 30.657 31.823 -0.472 0.000 0.666 518 V HN 0.089 nan 8.190 nan 0.000 0.456 519 E N 0.328 120.468 120.200 -0.100 0.000 2.051 519 E HA -0.176 4.174 4.350 0.000 0.000 0.192 519 E C 2.295 178.861 176.600 -0.057 0.000 0.991 519 E CA 1.396 57.747 56.400 -0.083 0.000 0.799 519 E CB -0.422 29.206 29.700 -0.120 0.000 0.748 519 E HN 0.672 nan 8.360 nan 0.000 0.449 520 A N 1.435 124.229 122.820 -0.042 0.000 1.933 520 A HA -0.195 4.125 4.320 0.000 0.000 0.218 520 A C 2.311 179.927 177.584 0.054 0.000 1.175 520 A CA 1.844 53.876 52.037 -0.008 0.000 0.628 520 A CB -0.634 18.363 19.000 -0.006 0.000 0.814 520 A HN 0.325 nan 8.150 nan 0.000 0.444 521 S N -0.914 114.854 115.700 0.113 0.000 2.447 521 S HA -0.043 4.427 4.470 0.000 0.000 0.233 521 S C 1.606 176.323 174.600 0.194 0.000 1.006 521 S CA 1.224 59.557 58.200 0.221 0.000 0.957 521 S CB -0.303 63.164 63.200 0.446 0.000 0.773 521 S HN 0.207 nan 8.310 nan 0.000 0.507 522 L N 1.459 122.762 121.223 0.134 0.000 2.313 522 L HA 0.336 4.677 4.340 0.000 0.000 0.214 522 L C 0.507 177.410 176.870 0.055 0.000 1.119 522 L CA 0.329 55.231 54.840 0.103 0.000 0.809 522 L CB -0.886 41.213 42.059 0.067 0.000 0.933 522 L HN 0.346 nan 8.230 nan 0.000 0.449 523 I N 0.393 120.985 120.570 0.037 0.000 2.668 523 I HA 0.224 4.394 4.170 0.000 0.000 0.285 523 I C 1.558 177.695 176.117 0.033 0.000 1.168 523 I CA 0.976 62.285 61.300 0.016 0.000 1.424 523 I CB -0.500 37.501 38.000 0.003 0.000 1.377 523 I HN 0.440 nan 8.210 nan 0.000 0.560 524 G N 4.553 113.359 108.800 0.010 0.000 2.195 524 G HA2 -0.221 3.739 3.960 0.000 0.000 0.224 524 G HA3 -0.221 3.739 3.960 0.000 0.000 0.224 524 G C 0.459 175.311 174.900 -0.079 0.000 0.990 524 G CA -0.033 45.075 45.100 0.014 0.000 0.639 524 G HN 0.578 nan 8.290 nan 0.000 0.514 525 T N 4.492 118.979 114.554 -0.111 0.000 2.853 525 T HA 0.459 4.809 4.350 0.000 0.000 0.298 525 T C -1.940 172.584 174.700 -0.294 0.000 0.978 525 T CA 0.012 61.940 62.100 -0.286 0.000 1.152 525 T CB 1.614 70.425 68.868 -0.095 0.000 0.914 525 T HN 0.268 nan 8.240 nan 0.000 0.539 526 P HA 0.298 nan 4.420 nan 0.000 0.275 526 P C -0.803 176.438 177.300 -0.098 0.000 1.228 526 P CA -0.477 62.478 63.100 -0.240 0.000 0.786 526 P CB 0.834 32.362 31.700 -0.286 0.000 0.927 527 V N 2.283 122.189 119.914 -0.012 0.000 2.398 527 V HA 0.485 4.605 4.120 0.000 0.000 0.282 527 V C 0.980 177.100 176.094 0.044 0.000 1.014 527 V CA -0.201 62.116 62.300 0.028 0.000 0.838 527 V CB 0.741 32.581 31.823 0.028 0.000 1.018 527 V HN 0.653 nan 8.190 nan 0.000 0.432 528 A N 4.616 127.479 122.820 0.072 0.000 1.897 528 A HA 0.089 4.409 4.320 0.000 0.000 0.215 528 A C 0.971 178.547 177.584 -0.013 0.000 1.181 528 A CA 1.550 53.621 52.037 0.057 0.000 0.620 528 A CB -0.063 19.000 19.000 0.106 0.000 0.821 528 A HN 0.820 nan 8.150 nan 0.000 0.443 529 D N -2.002 118.370 120.400 -0.047 0.000 2.476 529 D HA 0.565 5.205 4.640 0.000 0.000 0.251 529 D C 0.583 176.787 176.300 -0.160 0.000 1.291 529 D CA 0.221 54.145 54.000 -0.127 0.000 0.939 529 D CB 1.342 42.004 40.800 -0.230 0.000 1.221 529 D HN 0.065 nan 8.370 nan 0.000 0.567 530 A N 4.221 126.892 122.820 -0.248 0.000 2.070 530 A HA -0.150 4.170 4.320 0.000 0.000 0.220 530 A C 1.725 179.118 177.584 -0.317 0.000 1.159 530 A CA 1.133 52.932 52.037 -0.397 0.000 0.656 530 A CB -0.143 18.273 19.000 -0.973 0.000 0.800 530 A HN 0.561 nan 8.150 nan 0.000 0.453 531 K N -0.884 119.364 120.400 -0.253 0.000 2.366 531 K HA 0.040 4.360 4.320 0.000 0.000 0.198 531 K C 0.121 176.569 176.600 -0.253 0.000 1.044 531 K CA 0.517 56.689 56.287 -0.193 0.000 0.973 531 K CB 0.168 32.591 32.500 -0.128 0.000 0.767 531 K HN 0.331 nan 8.250 nan 0.000 0.475 532 R N 1.408 121.692 120.500 -0.359 0.000 2.653 532 R HA 0.135 4.475 4.340 0.000 0.000 0.269 532 R C -2.591 173.305 176.300 -0.672 0.000 1.603 532 R CA -1.143 54.463 56.100 -0.822 0.000 1.671 532 R CB 1.052 31.157 30.300 -0.325 0.000 1.300 532 R HN -0.055 nan 8.270 nan 0.000 0.668 533 P HA -0.004 nan 4.420 nan 0.000 0.220 533 P C 0.900 178.156 177.300 -0.073 0.000 1.806 533 P CA 0.093 63.085 63.100 -0.180 0.000 0.976 533 P CB 0.714 32.354 31.700 -0.100 0.000 1.952 534 V N 2.017 121.880 119.914 -0.085 0.000 2.594 534 V HA -0.244 3.876 4.120 0.000 0.000 0.253 534 V C 1.943 177.973 176.094 -0.107 0.000 1.069 534 V CA 2.065 64.358 62.300 -0.012 0.000 1.082 534 V CB -0.597 31.134 31.823 -0.152 0.000 0.680 534 V HN 0.167 nan 8.190 nan 0.000 0.469 535 E N 0.307 120.502 120.200 -0.008 0.000 2.110 535 E HA -0.161 4.189 4.350 0.000 0.000 0.193 535 E C 1.965 178.659 176.600 0.157 0.000 0.988 535 E CA 1.792 58.291 56.400 0.165 0.000 0.804 535 E CB -0.310 29.578 29.700 0.313 0.000 0.745 535 E HN 0.661 nan 8.360 nan 0.000 0.458 536 I N 0.188 120.807 120.570 0.082 0.000 2.226 536 I HA -0.264 3.906 4.170 0.000 0.000 0.245 536 I C 1.688 177.814 176.117 0.015 0.000 1.100 536 I CA 0.750 62.093 61.300 0.072 0.000 1.374 536 I CB -0.168 37.863 38.000 0.052 0.000 1.057 536 I HN 0.110 nan 8.210 nan 0.000 0.413 537 L N 0.315 121.508 121.223 -0.050 0.000 2.083 537 L HA -0.162 4.178 4.340 0.000 0.000 0.209 537 L C 2.540 179.300 176.870 -0.183 0.000 1.083 537 L CA 1.677 56.381 54.840 -0.228 0.000 0.752 537 L CB -0.805 41.175 42.059 -0.133 0.000 0.899 537 L HN 0.101 nan 8.230 nan 0.000 0.433 538 R N -1.289 119.109 120.500 -0.171 0.000 2.073 538 R HA -0.130 4.210 4.340 0.000 0.000 0.234 538 R C 2.203 178.555 176.300 0.087 0.000 1.134 538 R CA 1.852 57.816 56.100 -0.227 0.000 0.952 538 R CB -0.767 28.982 30.300 -0.918 0.000 0.850 538 R HN 0.318 nan 8.270 nan 0.000 0.433 539 T N 0.558 115.213 114.554 0.169 0.000 2.770 539 T HA -0.068 4.282 4.350 0.000 0.000 0.263 539 T C 1.989 176.845 174.700 0.261 0.000 1.039 539 T CA 1.153 63.416 62.100 0.272 0.000 1.142 539 T CB -0.090 68.996 68.868 0.363 0.000 0.868 539 T HN -0.024 nan 8.240 nan 0.000 0.435 540 V N 1.130 121.158 119.914 0.190 0.000 2.287 540 V HA -0.227 3.893 4.120 0.000 0.000 0.248 540 V C 2.142 178.367 176.094 0.217 0.000 1.053 540 V CA 1.830 64.259 62.300 0.216 0.000 1.027 540 V CB -0.718 31.118 31.823 0.022 0.000 0.646 540 V HN 0.658 nan 8.190 nan 0.000 0.447 541 H N 0.160 119.283 119.070 0.087 0.000 2.456 541 H HA -0.118 4.438 4.556 0.000 0.000 0.296 541 H C 2.464 177.654 175.328 -0.231 0.000 1.079 541 H CA 1.153 57.164 56.048 -0.061 0.000 1.322 541 H CB 0.023 29.666 29.762 -0.199 0.000 1.388 541 H HN 0.597 nan 8.280 nan 0.000 0.538 542 S N 0.470 116.138 115.700 -0.055 0.000 2.419 542 S HA -0.179 4.291 4.470 0.000 0.000 0.233 542 S C 1.536 176.029 174.600 -0.178 0.000 1.016 542 S CA 0.999 59.146 58.200 -0.088 0.000 0.974 542 S CB -0.519 62.678 63.200 -0.005 0.000 0.786 542 S HN 0.293 nan 8.310 nan 0.000 0.492 543 F N 1.754 121.727 119.950 0.040 0.000 2.780 543 F HA 0.249 4.776 4.527 0.000 0.000 0.299 543 F C 0.933 176.707 175.800 -0.044 0.000 1.146 543 F CA 0.233 58.246 58.000 0.020 0.000 1.428 543 F CB -0.470 38.566 39.000 0.060 0.000 1.115 543 F HN 0.150 nan 8.300 nan 0.000 0.583 544 D N 0.203 120.636 120.400 0.056 0.000 2.746 544 D HA -0.144 4.496 4.640 0.000 0.000 0.241 544 D C -2.599 173.759 176.300 0.097 0.000 1.140 544 D CA -0.138 53.810 54.000 -0.086 0.000 0.707 544 D CB -0.564 39.963 40.800 -0.455 0.000 1.034 544 D HN 0.089 nan 8.370 nan 0.000 0.423 545 P HA 0.135 nan 4.420 nan 0.000 0.268 545 P C -0.191 177.197 177.300 0.147 0.000 1.205 545 P CA -0.489 62.709 63.100 0.164 0.000 0.771 545 P CB 1.120 32.923 31.700 0.171 0.000 0.858 546 C N 5.699 125.082 119.300 0.138 0.000 2.455 546 C HA 0.325 4.785 4.460 0.000 0.000 0.321 546 C C 1.330 176.405 174.990 0.142 0.000 1.102 546 C CA -0.489 58.610 59.018 0.135 0.000 1.413 546 C CB -1.087 26.739 27.740 0.143 0.000 1.952 546 C HN 0.470 nan 8.230 nan 0.000 0.428 547 I N 3.751 124.396 120.570 0.124 0.000 2.716 547 I HA 0.048 4.218 4.170 0.000 0.000 0.259 547 I C 2.480 178.681 176.117 0.141 0.000 1.172 547 I CA 1.327 62.712 61.300 0.142 0.000 1.478 547 I CB -1.576 36.514 38.000 0.150 0.000 1.104 547 I HN 0.750 nan 8.210 nan 0.000 0.439 548 A N 0.412 123.299 122.820 0.113 0.000 1.902 548 A HA -0.205 4.115 4.320 0.000 0.000 0.217 548 A C 2.602 180.268 177.584 0.137 0.000 1.181 548 A CA 1.717 53.814 52.037 0.100 0.000 0.623 548 A CB -1.128 17.917 19.000 0.075 0.000 0.818 548 A HN 0.459 nan 8.150 nan 0.000 0.443 549 C N -1.124 118.282 119.300 0.177 0.000 2.413 549 C HA -0.023 4.437 4.460 0.000 0.000 0.277 549 C C 3.042 178.239 174.990 0.345 0.000 1.228 549 C CA 0.953 60.129 59.018 0.262 0.000 1.731 549 C CB -1.536 26.379 27.740 0.291 0.000 2.042 549 C HN 0.698 nan 8.230 nan 0.000 0.468 550 G N -0.595 108.357 108.800 0.252 0.000 2.422 550 G HA2 -0.107 3.854 3.960 0.000 0.000 0.218 550 G HA3 -0.107 3.854 3.960 0.000 0.000 0.218 550 G C 1.570 176.563 174.900 0.155 0.000 1.146 550 G CA 1.453 46.692 45.100 0.232 0.000 0.769 550 G HN 0.440 nan 8.290 nan 0.000 0.547 551 V N 1.309 121.272 119.914 0.083 0.000 2.672 551 V HA 0.122 4.242 4.120 0.000 0.000 0.242 551 V C 1.163 176.936 176.094 -0.535 0.000 1.059 551 V CA 0.696 62.944 62.300 -0.086 0.000 1.081 551 V CB -0.698 31.216 31.823 0.151 0.000 0.752 551 V HN 0.761 nan 8.190 nan 0.000 0.472 552 H N 0.000 119.081 119.070 0.019 0.000 2.539 552 H HA 0.000 4.556 4.556 0.000 0.000 0.296 552 H CA 0.000 55.988 56.048 -0.100 0.000 1.023 552 H CB 0.000 29.707 29.762 -0.092 0.000 1.292 552 H HN 0.000 nan 8.280 nan 0.000 0.496