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 1h2a_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 RCDKNNVSPV 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 0.000 174.639 174.600 0.065 0.000 1.055 19 S CA 0.000 58.225 58.200 0.043 0.000 1.107 19 S CB 0.000 63.222 63.200 0.036 0.000 0.593 20 S N 2.576 118.311 115.700 0.058 0.000 2.537 20 S HA 0.426 4.896 4.470 0.000 0.000 0.286 20 S C -0.601 174.062 174.600 0.105 0.000 1.299 20 S CA -0.214 58.033 58.200 0.078 0.000 1.067 20 S CB 0.044 63.274 63.200 0.050 0.000 0.864 20 S HN 0.391 nan 8.310 nan 0.000 0.494 21 Y N 2.283 122.585 120.300 0.004 0.000 2.320 21 Y HA 0.502 5.052 4.550 0.000 0.000 0.324 21 Y C -0.135 175.766 175.900 0.001 0.000 1.190 21 Y CA -0.170 57.931 58.100 0.002 0.000 1.215 21 Y CB 1.210 39.671 38.460 0.002 0.000 1.221 21 Y HN 0.774 nan 8.280 nan 0.000 0.486 22 S N 3.157 118.587 115.700 -0.451 0.000 2.619 22 S HA 0.796 5.266 4.470 0.000 0.000 0.280 22 S C -0.523 173.787 174.600 -0.484 0.000 1.150 22 S CA -0.174 57.866 58.200 -0.267 0.000 0.978 22 S CB 1.324 64.430 63.200 -0.156 0.000 1.041 22 S HN 1.296 nan 8.310 nan 0.000 0.485 23 G N 3.317 112.010 108.800 -0.179 0.000 2.340 23 G HA2 0.240 4.200 3.960 0.000 0.000 0.282 23 G HA3 0.240 4.200 3.960 0.000 0.000 0.282 23 G C -3.646 171.342 174.900 0.146 0.000 1.312 23 G CA -0.749 44.293 45.100 -0.097 0.000 0.942 23 G HN 0.500 nan 8.290 nan 0.000 0.495 24 P HA 0.726 nan 4.420 nan 0.000 0.282 24 P C -0.706 176.710 177.300 0.194 0.000 1.259 24 P CA -0.433 62.759 63.100 0.153 0.000 0.826 24 P CB 1.751 33.500 31.700 0.081 0.000 1.064 25 I N 0.433 121.072 120.570 0.115 0.000 2.656 25 I HA 0.379 4.549 4.170 0.000 0.000 0.292 25 I C -0.813 175.340 176.117 0.060 0.000 1.144 25 I CA -1.150 60.185 61.300 0.059 0.000 1.038 25 I CB 2.672 40.674 38.000 0.003 0.000 1.244 25 I HN -0.003 nan 8.210 nan 0.000 0.420 26 V N 5.812 125.758 119.914 0.054 0.000 2.569 26 V HA 0.339 4.459 4.120 0.000 0.000 0.301 26 V C -0.621 175.513 176.094 0.067 0.000 1.044 26 V CA -0.754 61.585 62.300 0.065 0.000 0.874 26 V CB 2.545 34.407 31.823 0.065 0.000 1.002 26 V HN 0.498 nan 8.190 nan 0.000 0.424 27 V N 3.877 123.836 119.914 0.076 0.000 2.304 27 V HA 0.737 4.857 4.120 0.000 0.000 0.278 27 V C -1.310 174.838 176.094 0.090 0.000 1.018 27 V CA 0.060 62.411 62.300 0.085 0.000 0.814 27 V CB 1.322 33.199 31.823 0.090 0.000 1.021 27 V HN 0.946 nan 8.190 nan 0.000 0.440 28 D N 7.425 127.881 120.400 0.093 0.000 2.602 28 D HA 0.541 5.181 4.640 0.000 0.000 0.245 28 D C -2.488 173.869 176.300 0.094 0.000 1.325 28 D CA -0.653 53.408 54.000 0.101 0.000 0.952 28 D CB 2.637 43.499 40.800 0.104 0.000 1.317 28 D HN 0.610 nan 8.370 nan 0.000 0.577 29 P HA 0.388 nan 4.420 nan 0.000 0.284 29 P C -0.609 176.749 177.300 0.097 0.000 1.258 29 P CA -0.628 62.540 63.100 0.113 0.000 0.824 29 P CB 1.463 33.241 31.700 0.130 0.000 1.038 30 V N 2.539 122.510 119.914 0.095 0.000 2.455 30 V HA 0.208 4.328 4.120 0.000 0.000 0.273 30 V C 1.114 177.266 176.094 0.096 0.000 1.045 30 V CA 0.059 62.400 62.300 0.068 0.000 0.976 30 V CB 0.598 32.444 31.823 0.039 0.000 0.993 30 V HN 0.896 nan 8.190 nan 0.000 0.475 31 T N 2.375 116.992 114.554 0.105 0.000 2.923 31 T HA 0.595 4.945 4.350 0.000 0.000 0.281 31 T C 0.414 175.229 174.700 0.191 0.000 0.995 31 T CA -0.850 61.313 62.100 0.104 0.000 0.985 31 T CB 0.794 69.688 68.868 0.043 0.000 1.114 31 T HN 0.574 nan 8.240 nan 0.000 0.548 32 R N -0.127 120.417 120.500 0.073 0.000 3.423 32 R HA -0.133 4.207 4.340 0.000 0.000 0.271 32 R C -0.299 176.020 176.300 0.032 0.000 1.093 32 R CA 0.820 56.900 56.100 -0.033 0.000 0.730 32 R CB -2.182 27.972 30.300 -0.245 0.000 1.190 32 R HN 0.799 nan 8.270 nan 0.000 0.437 33 I N -4.902 115.734 120.570 0.111 0.000 3.279 33 I HA 0.552 4.722 4.170 0.000 0.000 0.315 33 I C -0.659 175.502 176.117 0.074 0.000 1.225 33 I CA -1.190 60.196 61.300 0.143 0.000 0.947 33 I CB 2.053 40.159 38.000 0.178 0.000 1.293 33 I HN -0.208 nan 8.210 nan 0.000 0.468 34 E N 1.646 121.888 120.200 0.070 0.000 2.191 34 E HA 0.658 5.008 4.350 0.000 0.000 0.278 34 E C -0.023 176.566 176.600 -0.018 0.000 0.972 34 E CA 0.608 57.020 56.400 0.021 0.000 0.804 34 E CB 1.527 31.256 29.700 0.047 0.000 1.110 34 E HN 1.115 nan 8.360 nan 0.000 0.394 35 G N 3.534 112.253 108.800 -0.136 0.000 2.582 35 G HA2 -0.161 3.799 3.960 0.000 0.000 0.222 35 G HA3 -0.161 3.799 3.960 0.000 0.000 0.222 35 G C -1.234 173.471 174.900 -0.324 0.000 1.311 35 G CA -0.545 44.413 45.100 -0.237 0.000 0.915 35 G HN 0.717 nan 8.290 nan 0.000 0.528 36 H N -0.538 118.594 119.070 0.103 0.000 2.792 36 H HA 0.680 5.237 4.556 0.000 0.000 0.298 36 H C 0.105 175.514 175.328 0.136 0.000 1.042 36 H CA -0.675 55.441 56.048 0.114 0.000 1.300 36 H CB 1.477 31.311 29.762 0.119 0.000 1.431 36 H HN 0.508 nan 8.280 nan 0.000 0.496 37 L N 2.953 124.305 121.223 0.216 0.000 2.341 37 L HA 0.615 4.955 4.340 0.000 0.000 0.267 37 L C -0.757 176.209 176.870 0.161 0.000 1.009 37 L CA -0.981 53.964 54.840 0.174 0.000 0.819 37 L CB 2.116 44.248 42.059 0.122 0.000 1.323 37 L HN 0.619 nan 8.230 nan 0.000 0.425 38 R N 4.484 125.077 120.500 0.154 0.000 2.532 38 R HA 0.540 4.880 4.340 0.000 0.000 0.297 38 R C -1.849 174.522 176.300 0.118 0.000 0.984 38 R CA -0.694 55.489 56.100 0.138 0.000 0.884 38 R CB 1.656 32.052 30.300 0.160 0.000 1.182 38 R HN 0.477 nan 8.270 nan 0.000 0.442 39 I N 3.642 124.271 120.570 0.097 0.000 2.378 39 I HA 0.336 4.507 4.170 0.000 0.000 0.291 39 I C -0.370 175.802 176.117 0.091 0.000 0.992 39 I CA -0.545 60.806 61.300 0.085 0.000 1.154 39 I CB 1.806 39.841 38.000 0.060 0.000 1.315 39 I HN 0.720 nan 8.210 nan 0.000 0.448 40 E N 5.564 125.831 120.200 0.111 0.000 2.176 40 E HA 0.589 4.939 4.350 0.000 0.000 0.267 40 E C -0.858 175.821 176.600 0.131 0.000 0.893 40 E CA -0.597 55.880 56.400 0.127 0.000 0.761 40 E CB 2.816 32.611 29.700 0.159 0.000 1.133 40 E HN 0.452 nan 8.360 nan 0.000 0.409 41 V N -0.282 119.689 119.914 0.095 0.000 3.126 41 V HA 0.590 4.710 4.120 0.000 0.000 0.314 41 V C -0.558 175.582 176.094 0.077 0.000 1.138 41 V CA -0.987 61.353 62.300 0.066 0.000 1.034 41 V CB 2.102 33.952 31.823 0.045 0.000 1.075 41 V HN 0.619 nan 8.190 nan 0.000 0.442 42 E N 0.875 121.108 120.200 0.055 0.000 2.331 42 E HA 0.501 4.851 4.350 0.000 0.000 0.243 42 E C -1.150 175.487 176.600 0.062 0.000 0.925 42 E CA -0.391 56.047 56.400 0.063 0.000 0.760 42 E CB 2.179 31.905 29.700 0.045 0.000 1.254 42 E HN 0.732 nan 8.360 nan 0.000 0.419 43 V N 2.664 122.643 119.914 0.108 0.000 2.567 43 V HA 0.395 4.515 4.120 0.000 0.000 0.289 43 V C -0.589 175.567 176.094 0.105 0.000 1.049 43 V CA -0.099 62.272 62.300 0.118 0.000 0.969 43 V CB 1.566 33.491 31.823 0.170 0.000 0.995 43 V HN 0.738 nan 8.190 nan 0.000 0.471 44 E N 5.079 125.321 120.200 0.070 0.000 2.265 44 E HA 0.351 4.701 4.350 0.000 0.000 0.262 44 E C -0.388 176.237 176.600 0.041 0.000 0.889 44 E CA -0.626 55.796 56.400 0.037 0.000 0.789 44 E CB 0.711 30.421 29.700 0.016 0.000 1.221 44 E HN 0.863 nan 8.360 nan 0.000 0.414 45 N N 3.378 122.102 118.700 0.040 0.000 2.740 45 N HA -0.215 4.525 4.740 0.000 0.000 0.248 45 N C 0.534 176.080 175.510 0.061 0.000 1.062 45 N CA 1.569 54.645 53.050 0.043 0.000 0.704 45 N CB -1.289 37.212 38.487 0.024 0.000 0.968 45 N HN 1.013 nan 8.380 nan 0.000 0.547 46 G N -1.445 107.414 108.800 0.098 0.000 2.176 46 G HA2 -0.328 3.632 3.960 0.000 0.000 0.253 46 G HA3 -0.328 3.632 3.960 0.000 0.000 0.253 46 G C -0.062 174.861 174.900 0.038 0.000 0.979 46 G CA 0.830 45.977 45.100 0.079 0.000 0.641 46 G HN 0.516 nan 8.290 nan 0.000 0.530 47 K N 0.026 120.448 120.400 0.036 0.000 2.427 47 K HA 0.589 4.909 4.320 0.000 0.000 0.252 47 K C -0.051 176.562 176.600 0.022 0.000 0.931 47 K CA -0.980 55.311 56.287 0.006 0.000 0.793 47 K CB 3.085 35.586 32.500 0.001 0.000 1.211 47 K HN 0.015 nan 8.250 nan 0.000 0.426 48 V N 3.618 123.539 119.914 0.011 0.000 2.529 48 V HA -0.027 4.093 4.120 0.000 0.000 0.292 48 V C 1.299 177.400 176.094 0.012 0.000 1.028 48 V CA 0.654 62.966 62.300 0.020 0.000 1.074 48 V CB 0.794 32.628 31.823 0.018 0.000 0.958 48 V HN 0.793 nan 8.190 nan 0.000 0.481 49 K N 4.351 124.756 120.400 0.010 0.000 2.348 49 K HA 0.187 4.507 4.320 0.000 0.000 0.194 49 K C 0.663 177.244 176.600 -0.032 0.000 1.052 49 K CA 0.206 56.491 56.287 -0.003 0.000 1.004 49 K CB 0.331 32.834 32.500 0.004 0.000 0.873 49 K HN 0.791 nan 8.250 nan 0.000 0.523 50 N N -0.686 117.985 118.700 -0.049 0.000 2.710 50 N HA 0.413 5.153 4.740 0.000 0.000 0.257 50 N C -2.150 173.259 175.510 -0.168 0.000 1.327 50 N CA -0.377 52.594 53.050 -0.132 0.000 0.861 50 N CB 2.262 40.668 38.487 -0.136 0.000 1.532 50 N HN 0.051 nan 8.380 nan 0.000 0.499 51 A N 1.197 123.807 122.820 -0.350 0.000 2.609 51 A HA 0.735 5.055 4.320 0.000 0.000 0.291 51 A C -2.321 174.921 177.584 -0.569 0.000 1.096 51 A CA -0.365 51.499 52.037 -0.288 0.000 0.684 51 A CB 1.314 20.236 19.000 -0.130 0.000 1.282 51 A HN 0.585 nan 8.150 nan 0.000 0.412 52 Y N 0.121 120.335 120.300 -0.144 0.000 2.399 52 Y HA 0.470 5.020 4.550 0.000 0.000 0.327 52 Y C 0.031 175.851 175.900 -0.134 0.000 1.111 52 Y CA -0.539 57.379 58.100 -0.305 0.000 1.047 52 Y CB 2.568 40.672 38.460 -0.593 0.000 1.259 52 Y HN 0.639 nan 8.280 nan 0.000 0.434 53 S N 1.186 116.972 115.700 0.144 0.000 2.448 53 S HA 0.609 5.079 4.470 0.000 0.000 0.320 53 S C -0.569 174.165 174.600 0.224 0.000 1.071 53 S CA -0.869 57.419 58.200 0.147 0.000 1.113 53 S CB 0.964 64.216 63.200 0.088 0.000 0.972 53 S HN 0.447 nan 8.310 nan 0.000 0.465 54 S N 2.914 118.725 115.700 0.186 0.000 2.422 54 S HA 0.429 4.899 4.470 0.000 0.000 0.308 54 S C 0.015 174.727 174.600 0.187 0.000 1.097 54 S CA -0.795 57.511 58.200 0.177 0.000 1.099 54 S CB 0.858 64.169 63.200 0.185 0.000 0.976 54 S HN 0.693 nan 8.310 nan 0.000 0.471 55 S N 2.395 118.201 115.700 0.178 0.000 2.489 55 S HA 0.323 4.793 4.470 0.000 0.000 0.277 55 S C 1.055 175.918 174.600 0.438 0.000 1.230 55 S CA -0.821 57.539 58.200 0.267 0.000 1.053 55 S CB 0.780 64.124 63.200 0.240 0.000 0.955 55 S HN 0.812 nan 8.310 nan 0.000 0.488 56 T N 0.814 115.645 114.554 0.460 0.000 3.269 56 T HA 0.433 4.783 4.350 0.000 0.000 0.269 56 T C -0.087 174.901 174.700 0.479 0.000 0.993 56 T CA -0.369 62.067 62.100 0.561 0.000 0.909 56 T CB -0.411 68.680 68.868 0.370 0.000 1.115 56 T HN 0.488 nan 8.240 nan 0.000 0.543 57 L N 1.097 122.586 121.223 0.443 0.000 2.455 57 L HA 0.753 5.093 4.340 0.000 0.000 0.264 57 L C -2.123 174.744 176.870 -0.005 0.000 0.968 57 L CA -1.167 53.780 54.840 0.178 0.000 0.827 57 L CB 2.517 44.723 42.059 0.245 0.000 1.317 57 L HN 0.364 nan 8.230 nan 0.000 0.407 58 F N 4.222 123.877 119.950 -0.491 0.000 2.529 58 F HA 0.546 5.073 4.527 0.000 0.000 0.320 58 F C 0.328 175.898 175.800 -0.384 0.000 1.118 58 F CA -0.370 57.237 58.000 -0.655 0.000 0.915 58 F CB 1.787 39.864 39.000 -1.538 0.000 1.161 58 F HN 0.534 nan 8.300 nan 0.000 0.445 59 R N 2.589 122.514 120.500 -0.958 0.000 2.310 59 R HA 0.283 4.623 4.340 0.000 0.000 0.199 59 R C 0.616 176.476 176.300 -0.734 0.000 0.891 59 R CA 0.325 56.063 56.100 -0.603 0.000 1.060 59 R CB 0.697 30.796 30.300 -0.336 0.000 1.188 59 R HN 0.954 nan 8.270 nan 0.000 0.607 60 G N 2.311 110.342 108.800 -1.282 0.000 2.289 60 G HA2 -0.199 3.761 3.960 0.000 0.000 0.280 60 G HA3 -0.199 3.761 3.960 0.000 0.000 0.280 60 G C 0.528 175.298 174.900 -0.215 0.000 1.089 60 G CA -0.243 44.460 45.100 -0.663 0.000 0.939 60 G HN 0.060 nan 8.290 nan 0.000 0.499 61 L N -0.064 121.049 121.223 -0.183 0.000 2.079 61 L HA -0.040 4.300 4.340 0.000 0.000 0.210 61 L C 2.626 179.459 176.870 -0.062 0.000 1.081 61 L CA 2.573 57.361 54.840 -0.085 0.000 0.752 61 L CB -1.018 40.992 42.059 -0.082 0.000 0.896 61 L HN 0.673 nan 8.230 nan 0.000 0.433 62 E N -0.612 119.589 120.200 0.001 0.000 2.150 62 E HA -0.167 4.183 4.350 0.000 0.000 0.193 62 E C 2.299 178.925 176.600 0.043 0.000 0.985 62 E CA 0.769 57.194 56.400 0.041 0.000 0.814 62 E CB 0.035 29.809 29.700 0.122 0.000 0.752 62 E HN 0.469 nan 8.360 nan 0.000 0.466 63 I N 0.687 121.290 120.570 0.055 0.000 2.233 63 I HA -0.211 3.959 4.170 0.000 0.000 0.243 63 I C 2.272 178.398 176.117 0.015 0.000 1.093 63 I CA 0.934 62.272 61.300 0.063 0.000 1.380 63 I CB -0.208 37.857 38.000 0.109 0.000 1.067 63 I HN 0.092 nan 8.210 nan 0.000 0.413 64 I N 0.383 120.948 120.570 -0.008 0.000 2.335 64 I HA -0.291 3.879 4.170 0.000 0.000 0.251 64 I C 2.389 178.428 176.117 -0.130 0.000 1.129 64 I CA 0.992 62.272 61.300 -0.033 0.000 1.402 64 I CB -0.240 37.764 38.000 0.006 0.000 1.069 64 I HN 0.227 nan 8.210 nan 0.000 0.424 65 L N 0.805 121.921 121.223 -0.177 0.000 2.093 65 L HA -0.069 4.271 4.340 0.000 0.000 0.208 65 L C 1.208 177.970 176.870 -0.179 0.000 1.085 65 L CA 1.319 55.979 54.840 -0.300 0.000 0.755 65 L CB -0.911 40.963 42.059 -0.308 0.000 0.904 65 L HN 0.127 nan 8.230 nan 0.000 0.435 66 K N -0.383 119.978 120.400 -0.064 0.000 2.586 66 K HA 0.077 4.397 4.320 0.000 0.000 0.280 66 K C 1.189 177.770 176.600 -0.032 0.000 0.972 66 K CA 0.813 57.091 56.287 -0.015 0.000 1.040 66 K CB -0.251 32.258 32.500 0.015 0.000 0.870 66 K HN 0.410 nan 8.250 nan 0.000 0.497 67 G N 2.134 110.929 108.800 -0.007 0.000 2.189 67 G HA2 -0.324 3.636 3.960 0.000 0.000 0.267 67 G HA3 -0.324 3.636 3.960 0.000 0.000 0.267 67 G C 0.082 174.969 174.900 -0.021 0.000 0.975 67 G CA 0.374 45.470 45.100 -0.007 0.000 0.644 67 G HN 0.596 nan 8.290 nan 0.000 0.537 68 R N 0.231 120.697 120.500 -0.057 0.000 2.549 68 R HA 0.413 4.753 4.340 0.000 0.000 0.267 68 R C -0.395 175.887 176.300 -0.031 0.000 1.045 68 R CA -0.638 55.413 56.100 -0.081 0.000 1.115 68 R CB 0.494 30.657 30.300 -0.228 0.000 1.121 68 R HN 0.186 nan 8.270 nan 0.000 0.543 69 D N 1.775 122.172 120.400 -0.005 0.000 2.382 69 D HA 0.035 4.675 4.640 0.000 0.000 0.259 69 D C -1.647 174.687 176.300 0.057 0.000 1.224 69 D CA -1.968 52.061 54.000 0.048 0.000 0.894 69 D CB 1.141 41.986 40.800 0.075 0.000 1.127 69 D HN 0.117 nan 8.370 nan 0.000 0.487 70 P HA -0.139 nan 4.420 nan 0.000 0.220 70 P C 1.128 178.487 177.300 0.099 0.000 1.144 70 P CA 1.057 64.222 63.100 0.110 0.000 0.800 70 P CB 0.196 31.966 31.700 0.117 0.000 0.772 71 R N -0.533 120.042 120.500 0.124 0.000 2.096 71 R HA -0.111 4.230 4.340 0.000 0.000 0.235 71 R C 1.466 177.851 176.300 0.142 0.000 1.127 71 R CA 1.394 57.573 56.100 0.133 0.000 0.968 71 R CB -0.654 29.776 30.300 0.217 0.000 0.861 71 R HN 0.253 nan 8.270 nan 0.000 0.440 72 D N 0.518 121.019 120.400 0.169 0.000 2.269 72 D HA -0.035 4.605 4.640 0.000 0.000 0.208 72 D C 1.723 178.168 176.300 0.240 0.000 0.963 72 D CA 0.898 55.070 54.000 0.287 0.000 0.864 72 D CB -0.162 40.806 40.800 0.280 0.000 0.936 72 D HN 0.188 nan 8.370 nan 0.000 0.505 73 A N 1.776 124.611 122.820 0.026 0.000 1.896 73 A HA -0.359 3.961 4.320 0.000 0.000 0.220 73 A C 2.195 179.746 177.584 -0.055 0.000 1.206 73 A CA 2.681 54.637 52.037 -0.134 0.000 0.647 73 A CB -1.043 17.834 19.000 -0.205 0.000 0.828 73 A HN 0.451 nan 8.150 nan 0.000 0.455 74 Q N -1.222 118.541 119.800 -0.062 0.000 2.197 74 Q HA -0.271 4.069 4.340 0.000 0.000 0.207 74 Q C 1.680 177.585 176.000 -0.159 0.000 0.984 74 Q CA 2.212 57.934 55.803 -0.137 0.000 0.869 74 Q CB -0.782 27.803 28.738 -0.254 0.000 0.906 74 Q HN 0.840 nan 8.270 nan 0.000 0.426 75 H N -1.121 117.979 119.070 0.051 0.000 2.462 75 H HA 0.023 4.579 4.556 0.000 0.000 0.292 75 H C 1.025 176.293 175.328 -0.101 0.000 1.049 75 H CA 1.319 57.353 56.048 -0.024 0.000 1.334 75 H CB 0.118 29.868 29.762 -0.020 0.000 1.404 75 H HN 0.223 nan 8.280 nan 0.000 0.544 76 F N 0.058 119.974 119.950 -0.058 0.000 2.179 76 F HA -0.107 4.420 4.527 0.000 0.000 0.292 76 F C 2.723 178.409 175.800 -0.190 0.000 1.089 76 F CA 1.419 59.342 58.000 -0.128 0.000 1.295 76 F CB -0.709 38.192 39.000 -0.165 0.000 1.041 76 F HN 0.154 nan 8.300 nan 0.000 0.487 77 T N -2.256 112.280 114.554 -0.030 0.000 3.035 77 T HA -0.177 4.173 4.350 0.000 0.000 0.268 77 T C 1.779 176.424 174.700 -0.092 0.000 1.109 77 T CA 1.052 63.072 62.100 -0.133 0.000 1.119 77 T CB -0.445 68.337 68.868 -0.144 0.000 0.900 77 T HN 0.353 nan 8.240 nan 0.000 0.503 78 Q N 0.711 120.469 119.800 -0.070 0.000 2.167 78 Q HA -0.045 4.296 4.340 0.000 0.000 0.202 78 Q C 1.785 177.670 176.000 -0.192 0.000 0.970 78 Q CA 0.691 56.448 55.803 -0.077 0.000 0.855 78 Q CB 0.061 28.710 28.738 -0.150 0.000 0.911 78 Q HN 0.338 nan 8.270 nan 0.000 0.438 79 R N -0.116 120.233 120.500 -0.253 0.000 2.346 79 R HA 0.017 4.357 4.340 0.000 0.000 0.199 79 R C 1.356 177.609 176.300 -0.078 0.000 1.015 79 R CA 0.563 56.558 56.100 -0.175 0.000 1.058 79 R CB -0.529 29.670 30.300 -0.169 0.000 0.921 79 R HN 0.227 nan 8.270 nan 0.000 0.475 80 T N -0.273 114.189 114.554 -0.154 0.000 2.995 80 T HA -0.037 4.313 4.350 0.000 0.000 0.269 80 T C 0.942 175.610 174.700 -0.052 0.000 1.091 80 T CA 0.779 62.756 62.100 -0.205 0.000 1.128 80 T CB -0.010 68.479 68.868 -0.630 0.000 0.891 80 T HN 0.315 nan 8.240 nan 0.000 0.492 81 C N -0.754 118.592 119.300 0.077 0.000 3.241 81 C HA 0.612 5.072 4.460 0.000 0.000 0.348 81 C C 1.209 176.370 174.990 0.285 0.000 1.180 81 C CA -0.450 58.674 59.018 0.177 0.000 1.273 81 C CB 1.174 29.043 27.740 0.214 0.000 1.620 81 C HN 0.408 nan 8.230 nan 0.000 0.510 82 G N 1.618 110.505 108.800 0.146 0.000 2.944 82 G HA2 0.225 4.185 3.960 0.000 0.000 0.223 82 G HA3 0.225 4.185 3.960 0.000 0.000 0.223 82 G C 0.993 175.893 174.900 -0.000 0.000 1.071 82 G CA 0.949 46.041 45.100 -0.013 0.000 0.806 82 G HN 0.670 nan 8.290 nan 0.000 0.538 83 V N 1.551 121.501 119.914 0.061 0.000 2.255 83 V HA -0.089 4.032 4.120 0.000 0.000 0.243 83 V C 2.163 178.313 176.094 0.094 0.000 1.038 83 V CA 1.676 64.023 62.300 0.077 0.000 1.008 83 V CB -0.388 31.487 31.823 0.086 0.000 0.645 83 V HN 0.601 nan 8.190 nan 0.000 0.449 84 C N 0.039 119.401 119.300 0.104 0.000 2.865 84 C HA 0.363 4.824 4.460 0.000 0.000 0.545 84 C C 2.271 177.340 174.990 0.132 0.000 1.154 84 C CA -0.165 58.902 59.018 0.083 0.000 1.375 84 C CB -1.595 26.171 27.740 0.042 0.000 1.627 84 C HN 0.564 nan 8.230 nan 0.000 0.623 85 T N 0.784 115.425 114.554 0.144 0.000 2.665 85 T HA -0.287 4.063 4.350 0.000 0.000 0.268 85 T C 1.419 176.302 174.700 0.305 0.000 1.035 85 T CA 2.530 64.769 62.100 0.231 0.000 1.151 85 T CB -0.435 68.515 68.868 0.137 0.000 0.862 85 T HN 0.859 nan 8.240 nan 0.000 0.438 86 Y N 1.683 122.047 120.300 0.107 0.000 2.420 86 Y HA 0.043 4.593 4.550 0.000 0.000 0.292 86 Y C 2.587 178.503 175.900 0.027 0.000 1.119 86 Y CA 1.767 59.928 58.100 0.101 0.000 1.229 86 Y CB -0.893 37.646 38.460 0.131 0.000 1.026 86 Y HN 0.398 nan 8.280 nan 0.000 0.554 87 T N -1.651 112.797 114.554 -0.176 0.000 2.649 87 T HA -0.338 4.012 4.350 0.000 0.000 0.268 87 T C 1.736 176.171 174.700 -0.442 0.000 1.036 87 T CA 2.227 64.097 62.100 -0.384 0.000 1.157 87 T CB -0.960 67.714 68.868 -0.322 0.000 0.861 87 T HN 0.536 nan 8.240 nan 0.000 0.445 88 H N 1.353 120.330 119.070 -0.155 0.000 2.389 88 H HA 0.267 4.823 4.556 0.000 0.000 0.299 88 H C 2.806 178.039 175.328 -0.158 0.000 1.081 88 H CA 1.375 57.362 56.048 -0.102 0.000 1.345 88 H CB -0.614 29.191 29.762 0.073 0.000 1.393 88 H HN 0.612 nan 8.280 nan 0.000 0.520 89 A N 0.969 123.741 122.820 -0.080 0.000 1.969 89 A HA -0.089 4.231 4.320 0.000 0.000 0.218 89 A C 2.473 179.875 177.584 -0.303 0.000 1.169 89 A CA 0.860 52.806 52.037 -0.151 0.000 0.635 89 A CB -0.522 18.419 19.000 -0.099 0.000 0.810 89 A HN 0.265 nan 8.150 nan 0.000 0.445 90 L N -0.212 120.705 121.223 -0.510 0.000 2.005 90 L HA 0.021 4.361 4.340 0.000 0.000 0.207 90 L C 2.667 179.282 176.870 -0.426 0.000 1.072 90 L CA 2.194 56.700 54.840 -0.556 0.000 0.744 90 L CB -0.860 40.705 42.059 -0.823 0.000 0.895 90 L HN 0.303 nan 8.230 nan 0.000 0.433 91 A N -1.439 121.082 122.820 -0.499 0.000 1.940 91 A HA -0.210 4.110 4.320 0.000 0.000 0.219 91 A C 2.422 179.725 177.584 -0.467 0.000 1.176 91 A CA 2.130 53.813 52.037 -0.590 0.000 0.631 91 A CB -1.004 17.442 19.000 -0.922 0.000 0.814 91 A HN 0.538 nan 8.150 nan 0.000 0.446 92 S N -0.756 114.791 115.700 -0.255 0.000 2.368 92 S HA -0.105 4.365 4.470 0.000 0.000 0.224 92 S C 2.077 176.647 174.600 -0.050 0.000 1.029 92 S CA 1.718 59.995 58.200 0.128 0.000 0.988 92 S CB -0.435 62.910 63.200 0.243 0.000 0.838 92 S HN 0.719 nan 8.310 nan 0.000 0.462 93 T N 2.092 116.546 114.554 -0.166 0.000 2.746 93 T HA -0.040 4.310 4.350 0.000 0.000 0.267 93 T C 1.830 176.388 174.700 -0.236 0.000 1.039 93 T CA 0.968 62.943 62.100 -0.210 0.000 1.142 93 T CB -0.162 68.559 68.868 -0.245 0.000 0.866 93 T HN 0.339 nan 8.240 nan 0.000 0.444 94 R N 0.036 120.381 120.500 -0.259 0.000 2.148 94 R HA -0.015 4.325 4.340 0.000 0.000 0.227 94 R C 2.816 178.938 176.300 -0.296 0.000 1.103 94 R CA 0.980 56.911 56.100 -0.282 0.000 0.983 94 R CB -0.745 29.381 30.300 -0.290 0.000 0.874 94 R HN 0.420 nan 8.270 nan 0.000 0.451 95 C N 0.041 119.182 119.300 -0.264 0.000 2.476 95 C HA -0.012 4.449 4.460 0.000 0.000 0.278 95 C C 2.559 177.435 174.990 -0.190 0.000 1.274 95 C CA 0.469 59.334 59.018 -0.254 0.000 1.713 95 C CB -0.617 27.006 27.740 -0.195 0.000 2.039 95 C HN 0.249 nan 8.230 nan 0.000 0.484 96 V N 1.201 121.021 119.914 -0.157 0.000 2.379 96 V HA -0.117 4.003 4.120 0.000 0.000 0.245 96 V C 2.326 178.277 176.094 -0.237 0.000 1.044 96 V CA 2.380 64.580 62.300 -0.165 0.000 1.036 96 V CB -0.820 30.907 31.823 -0.160 0.000 0.664 96 V HN 0.484 nan 8.190 nan 0.000 0.453 97 D N 0.289 120.520 120.400 -0.282 0.000 2.126 97 D HA -0.235 4.405 4.640 0.000 0.000 0.190 97 D C 2.110 178.296 176.300 -0.190 0.000 1.001 97 D CA 1.819 55.649 54.000 -0.284 0.000 0.841 97 D CB -0.504 40.134 40.800 -0.270 0.000 0.949 97 D HN 0.501 nan 8.370 nan 0.000 0.446 98 N N 0.415 118.984 118.700 -0.219 0.000 2.025 98 N HA -0.211 4.529 4.740 0.000 0.000 0.194 98 N C 1.811 177.303 175.510 -0.031 0.000 1.044 98 N CA 1.849 54.799 53.050 -0.167 0.000 0.851 98 N CB -0.116 38.223 38.487 -0.247 0.000 1.036 98 N HN 0.103 nan 8.380 nan 0.000 0.422 99 A N 0.737 123.525 122.820 -0.054 0.000 1.986 99 A HA -0.097 4.224 4.320 0.000 0.000 0.220 99 A C 2.367 179.960 177.584 0.015 0.000 1.171 99 A CA 1.455 53.487 52.037 -0.010 0.000 0.640 99 A CB -0.672 18.315 19.000 -0.023 0.000 0.811 99 A HN 0.291 nan 8.150 nan 0.000 0.451 100 V N -1.308 118.601 119.914 -0.008 0.000 3.235 100 V HA 0.226 4.346 4.120 0.000 0.000 0.259 100 V C 1.816 177.969 176.094 0.098 0.000 1.133 100 V CA 1.224 63.556 62.300 0.054 0.000 1.128 100 V CB -0.536 31.273 31.823 -0.024 0.000 0.757 100 V HN 1.161 nan 8.190 nan 0.000 0.469 101 G N 0.837 109.691 108.800 0.090 0.000 2.147 101 G HA2 -0.209 3.751 3.960 0.000 0.000 0.244 101 G HA3 -0.209 3.751 3.960 0.000 0.000 0.244 101 G C 0.210 175.176 174.900 0.110 0.000 1.005 101 G CA 0.224 45.400 45.100 0.127 0.000 0.713 101 G HN 0.820 nan 8.290 nan 0.000 0.515 102 V N -1.858 118.105 119.914 0.082 0.000 2.834 102 V HA 0.614 4.734 4.120 0.000 0.000 0.301 102 V C 0.474 176.556 176.094 -0.019 0.000 1.066 102 V CA -0.896 61.465 62.300 0.102 0.000 1.052 102 V CB 1.218 33.075 31.823 0.058 0.000 1.021 102 V HN 0.334 nan 8.190 nan 0.000 0.480 103 H N 4.136 123.285 119.070 0.131 0.000 2.792 103 H HA 0.439 4.995 4.556 0.000 0.000 0.298 103 H C 0.058 175.440 175.328 0.090 0.000 1.042 103 H CA -0.419 55.715 56.048 0.143 0.000 1.300 103 H CB 1.693 31.480 29.762 0.041 0.000 1.431 103 H HN 0.863 nan 8.280 nan 0.000 0.496 104 I N 0.914 121.552 120.570 0.114 0.000 2.779 104 I HA 0.339 4.509 4.170 0.000 0.000 0.285 104 I C -2.318 173.839 176.117 0.066 0.000 1.134 104 I CA -1.928 59.412 61.300 0.066 0.000 1.398 104 I CB 0.288 38.289 38.000 0.002 0.000 1.404 104 I HN 0.128 nan 8.210 nan 0.000 0.587 105 P HA 0.005 nan 4.420 nan 0.000 0.269 105 P C -0.036 177.273 177.300 0.016 0.000 1.211 105 P CA -0.199 62.929 63.100 0.046 0.000 0.781 105 P CB 0.478 32.207 31.700 0.049 0.000 0.877 106 K N 1.275 121.684 120.400 0.015 0.000 2.148 106 K HA -0.144 4.176 4.320 0.000 0.000 0.204 106 K C 1.250 177.836 176.600 -0.024 0.000 1.050 106 K CA 1.689 57.943 56.287 -0.055 0.000 0.942 106 K CB -0.517 31.966 32.500 -0.027 0.000 0.724 106 K HN 0.288 nan 8.250 nan 0.000 0.446 107 N N 0.910 119.683 118.700 0.121 0.000 2.166 107 N HA -0.127 4.614 4.740 0.000 0.000 0.186 107 N C 1.925 177.488 175.510 0.089 0.000 1.019 107 N CA 0.858 54.052 53.050 0.240 0.000 0.856 107 N CB -0.174 38.442 38.487 0.214 0.000 0.993 107 N HN 0.393 nan 8.380 nan 0.000 0.426 108 A N 0.554 123.385 122.820 0.018 0.000 1.930 108 A HA -0.114 4.206 4.320 0.000 0.000 0.217 108 A C 2.295 179.863 177.584 -0.028 0.000 1.175 108 A CA 1.534 53.564 52.037 -0.013 0.000 0.627 108 A CB -0.847 18.143 19.000 -0.017 0.000 0.815 108 A HN 0.181 nan 8.150 nan 0.000 0.443 109 T N -1.193 113.318 114.554 -0.072 0.000 2.788 109 T HA -0.121 4.229 4.350 0.000 0.000 0.268 109 T C 1.723 176.355 174.700 -0.113 0.000 1.044 109 T CA 1.655 63.688 62.100 -0.111 0.000 1.139 109 T CB -0.392 68.367 68.868 -0.182 0.000 0.867 109 T HN 0.504 nan 8.240 nan 0.000 0.454 110 Y N 1.268 121.529 120.300 -0.066 0.000 2.089 110 Y HA 0.006 4.556 4.550 0.000 0.000 0.282 110 Y C 2.298 178.002 175.900 -0.326 0.000 1.139 110 Y CA 0.215 58.203 58.100 -0.186 0.000 1.123 110 Y CB -0.854 37.475 38.460 -0.218 0.000 0.980 110 Y HN 0.162 nan 8.280 nan 0.000 0.493 111 I N -0.322 120.085 120.570 -0.271 0.000 2.248 111 I HA -0.392 3.778 4.170 0.000 0.000 0.248 111 I C 2.440 178.558 176.117 0.002 0.000 1.107 111 I CA 1.533 62.624 61.300 -0.348 0.000 1.373 111 I CB -0.420 37.366 38.000 -0.358 0.000 1.055 111 I HN 0.205 nan 8.210 nan 0.000 0.418 112 R N 0.574 121.158 120.500 0.140 0.000 2.075 112 R HA -0.107 4.233 4.340 0.000 0.000 0.232 112 R C 2.059 178.537 176.300 0.298 0.000 1.126 112 R CA 1.657 57.942 56.100 0.308 0.000 0.963 112 R CB -0.464 29.948 30.300 0.187 0.000 0.858 112 R HN 0.530 nan 8.270 nan 0.000 0.435 113 N N 0.258 119.082 118.700 0.208 0.000 2.120 113 N HA -0.147 4.593 4.740 0.000 0.000 0.188 113 N C 1.514 177.210 175.510 0.309 0.000 1.024 113 N CA 0.570 53.816 53.050 0.326 0.000 0.852 113 N CB 0.019 38.702 38.487 0.327 0.000 1.003 113 N HN -0.005 nan 8.380 nan 0.000 0.424 114 L N 1.058 122.334 121.223 0.088 0.000 1.976 114 L HA -0.120 4.220 4.340 0.000 0.000 0.209 114 L C 2.309 179.240 176.870 0.103 0.000 1.071 114 L CA 1.290 56.119 54.840 -0.018 0.000 0.746 114 L CB -1.135 40.742 42.059 -0.303 0.000 0.890 114 L HN 0.016 nan 8.230 nan 0.000 0.432 115 V N -0.437 119.497 119.914 0.033 0.000 2.380 115 V HA -0.281 3.839 4.120 0.000 0.000 0.251 115 V C 2.472 178.595 176.094 0.048 0.000 1.063 115 V CA 1.529 63.779 62.300 -0.083 0.000 1.055 115 V CB -0.615 30.961 31.823 -0.411 0.000 0.657 115 V HN 0.377 nan 8.190 nan 0.000 0.455 116 L N 1.184 122.596 121.223 0.315 0.000 2.109 116 L HA 0.065 4.405 4.340 0.000 0.000 0.207 116 L C 2.333 179.559 176.870 0.593 0.000 1.086 116 L CA 2.257 57.420 54.840 0.539 0.000 0.760 116 L CB -1.209 41.173 42.059 0.539 0.000 0.910 116 L HN 0.248 nan 8.230 nan 0.000 0.437 117 G N -0.923 108.229 108.800 0.587 0.000 2.421 117 G HA2 -0.261 3.699 3.960 0.000 0.000 0.216 117 G HA3 -0.261 3.699 3.960 0.000 0.000 0.216 117 G C 1.600 176.726 174.900 0.377 0.000 1.171 117 G CA 0.713 46.103 45.100 0.484 0.000 0.775 117 G HN 0.596 nan 8.290 nan 0.000 0.543 118 A N 0.262 123.265 122.820 0.305 0.000 2.019 118 A HA -0.083 4.237 4.320 0.000 0.000 0.219 118 A C 2.274 179.996 177.584 0.230 0.000 1.164 118 A CA 2.260 54.443 52.037 0.243 0.000 0.644 118 A CB -0.335 18.788 19.000 0.206 0.000 0.805 118 A HN 0.474 nan 8.150 nan 0.000 0.449 119 Q N -1.505 118.443 119.800 0.247 0.000 2.137 119 Q HA -0.105 4.235 4.340 0.000 0.000 0.198 119 Q C 1.576 177.693 176.000 0.195 0.000 0.960 119 Q CA 1.659 57.580 55.803 0.196 0.000 0.847 119 Q CB -0.599 28.255 28.738 0.192 0.000 0.915 119 Q HN 0.666 nan 8.270 nan 0.000 0.448 120 Y N 0.031 120.408 120.300 0.128 0.000 2.274 120 Y HA -0.126 4.424 4.550 0.000 0.000 0.290 120 Y C 1.776 177.682 175.900 0.010 0.000 1.145 120 Y CA 1.386 59.476 58.100 -0.018 0.000 1.203 120 Y CB 0.142 38.658 38.460 0.094 0.000 0.984 120 Y HN 0.123 nan 8.280 nan 0.000 0.533 121 L N -1.681 119.736 121.223 0.324 0.000 2.049 121 L HA -0.188 4.152 4.340 0.000 0.000 0.203 121 L C 2.362 179.394 176.870 0.269 0.000 1.074 121 L CA 1.691 56.716 54.840 0.307 0.000 0.749 121 L CB -0.859 41.371 42.059 0.285 0.000 0.907 121 L HN 0.246 nan 8.230 nan 0.000 0.439 122 H N 0.093 119.244 119.070 0.135 0.000 2.290 122 H HA -0.233 4.323 4.556 0.000 0.000 0.298 122 H C 2.110 177.506 175.328 0.113 0.000 1.087 122 H CA 2.165 58.266 56.048 0.088 0.000 1.291 122 H CB -0.007 29.785 29.762 0.051 0.000 1.369 122 H HN 0.197 nan 8.280 nan 0.000 0.492 123 D N -0.372 120.192 120.400 0.274 0.000 2.103 123 D HA -0.208 4.432 4.640 0.000 0.000 0.190 123 D C 1.968 178.421 176.300 0.255 0.000 0.997 123 D CA 1.648 55.771 54.000 0.206 0.000 0.833 123 D CB -0.370 40.481 40.800 0.084 0.000 0.961 123 D HN 0.522 nan 8.370 nan 0.000 0.447 124 H N 0.056 119.240 119.070 0.190 0.000 2.421 124 H HA 0.016 4.572 4.556 0.000 0.000 0.298 124 H C 2.318 177.728 175.328 0.136 0.000 1.087 124 H CA 0.437 56.619 56.048 0.222 0.000 1.330 124 H CB -0.341 29.614 29.762 0.322 0.000 1.388 124 H HN 0.294 nan 8.280 nan 0.000 0.526 125 I N -0.524 120.158 120.570 0.186 0.000 2.202 125 I HA -0.202 3.968 4.170 0.000 0.000 0.242 125 I C 2.189 178.302 176.117 -0.006 0.000 1.091 125 I CA 0.737 62.039 61.300 0.003 0.000 1.368 125 I CB -0.120 37.887 38.000 0.013 0.000 1.058 125 I HN 0.033 nan 8.210 nan 0.000 0.410 126 V N 0.324 120.223 119.914 -0.025 0.000 2.515 126 V HA -0.304 3.816 4.120 0.000 0.000 0.250 126 V C 2.389 178.511 176.094 0.047 0.000 1.058 126 V CA 2.029 64.342 62.300 0.022 0.000 1.064 126 V CB -0.903 30.901 31.823 -0.032 0.000 0.675 126 V HN 0.474 nan 8.190 nan 0.000 0.461 127 H N -0.357 118.732 119.070 0.033 0.000 2.276 127 H HA -0.207 4.349 4.556 0.000 0.000 0.301 127 H C 2.006 177.337 175.328 0.004 0.000 1.073 127 H CA 2.376 58.448 56.048 0.040 0.000 1.311 127 H CB -0.397 29.426 29.762 0.101 0.000 1.379 127 H HN 0.319 nan 8.280 nan 0.000 0.494 128 F N 0.039 119.913 119.950 -0.128 0.000 2.065 128 F HA -0.309 4.218 4.527 0.000 0.000 0.298 128 F C 1.713 177.283 175.800 -0.383 0.000 1.112 128 F CA 1.882 59.716 58.000 -0.276 0.000 1.212 128 F CB -0.813 37.878 39.000 -0.514 0.000 0.975 128 F HN 0.217 nan 8.300 nan 0.000 0.476 129 Y N -0.617 119.453 120.300 -0.382 0.000 2.130 129 Y HA -0.125 4.425 4.550 0.000 0.000 0.287 129 Y C 2.673 178.294 175.900 -0.466 0.000 1.124 129 Y CA 2.254 60.054 58.100 -0.500 0.000 1.118 129 Y CB -1.189 36.880 38.460 -0.652 0.000 0.994 129 Y HN 0.159 nan 8.280 nan 0.000 0.497 130 H N -1.157 117.842 119.070 -0.118 0.000 2.548 130 H HA 0.116 4.672 4.556 0.000 0.000 0.268 130 H C 1.286 176.525 175.328 -0.147 0.000 0.975 130 H CA 0.938 56.869 56.048 -0.196 0.000 1.195 130 H CB 0.174 29.768 29.762 -0.279 0.000 1.397 130 H HN 0.261 nan 8.280 nan 0.000 0.572 131 L N -1.794 119.315 121.223 -0.190 0.000 2.806 131 L HA 0.106 4.446 4.340 0.000 0.000 0.242 131 L C 1.766 178.326 176.870 -0.518 0.000 1.068 131 L CA 0.157 54.790 54.840 -0.345 0.000 0.923 131 L CB 0.186 42.023 42.059 -0.370 0.000 1.364 131 L HN 0.223 nan 8.230 nan 0.000 0.511 132 H N 1.032 119.701 119.070 -0.668 0.000 2.388 132 H HA 0.235 4.791 4.556 0.000 0.000 0.304 132 H C 2.090 177.145 175.328 -0.455 0.000 1.049 132 H CA 1.026 56.732 56.048 -0.570 0.000 1.371 132 H CB 0.269 29.752 29.762 -0.466 0.000 1.436 132 H HN 0.166 nan 8.280 nan 0.000 0.544 133 A N 1.463 124.026 122.820 -0.428 0.000 1.915 133 A HA -0.199 4.121 4.320 0.000 0.000 0.220 133 A C 2.444 179.912 177.584 -0.194 0.000 1.198 133 A CA 1.905 53.714 52.037 -0.379 0.000 0.647 133 A CB -1.259 17.525 19.000 -0.360 0.000 0.825 133 A HN 0.458 nan 8.150 nan 0.000 0.456 134 L N -0.252 120.916 121.223 -0.093 0.000 2.551 134 L HA -0.162 4.178 4.340 0.000 0.000 0.230 134 L C 1.060 177.926 176.870 -0.007 0.000 1.163 134 L CA 0.870 55.725 54.840 0.025 0.000 0.826 134 L CB -0.653 41.504 42.059 0.162 0.000 0.943 134 L HN 0.381 nan 8.230 nan 0.000 0.452 135 D N -0.696 119.502 120.400 -0.337 0.000 2.333 135 D HA -0.033 4.607 4.640 0.000 0.000 0.208 135 D C 1.659 177.301 176.300 -1.097 0.000 0.984 135 D CA 0.979 54.605 54.000 -0.625 0.000 0.873 135 D CB 0.233 40.514 40.800 -0.865 0.000 0.935 135 D HN 0.312 nan 8.370 nan 0.000 0.521 136 F N 0.131 119.734 119.950 -0.579 0.000 2.592 136 F HA 0.152 4.679 4.527 0.000 0.000 0.280 136 F C 1.053 176.706 175.800 -0.244 0.000 1.083 136 F CA -0.147 57.420 58.000 -0.721 0.000 1.365 136 F CB 0.108 38.640 39.000 -0.781 0.000 1.100 136 F HN -0.330 nan 8.300 nan 0.000 0.633 137 V N 1.353 121.294 119.914 0.046 0.000 2.539 137 V HA 0.231 4.351 4.120 0.000 0.000 0.292 137 V C -0.709 175.288 176.094 -0.162 0.000 1.045 137 V CA -0.676 61.639 62.300 0.024 0.000 0.945 137 V CB 1.516 33.309 31.823 -0.051 0.000 0.993 137 V HN 0.018 nan 8.190 nan 0.000 0.464 138 D N 3.531 123.753 120.400 -0.297 0.000 2.460 138 D HA 0.252 4.893 4.640 0.000 0.000 0.232 138 D C 0.640 176.561 176.300 -0.631 0.000 1.079 138 D CA -0.321 53.174 54.000 -0.842 0.000 0.864 138 D CB 1.896 42.476 40.800 -0.367 0.000 1.048 138 D HN 0.197 nan 8.370 nan 0.000 0.523 139 V N 3.286 122.718 119.914 -0.803 0.000 2.626 139 V HA -0.199 3.921 4.120 0.000 0.000 0.252 139 V C 2.487 178.427 176.094 -0.255 0.000 1.067 139 V CA 2.337 64.365 62.300 -0.453 0.000 1.081 139 V CB -0.765 30.702 31.823 -0.593 0.000 0.686 139 V HN 0.743 nan 8.190 nan 0.000 0.468 140 T N -1.433 113.040 114.554 -0.136 0.000 2.904 140 T HA -0.030 4.320 4.350 0.000 0.000 0.267 140 T C 1.926 176.601 174.700 -0.043 0.000 1.059 140 T CA 1.154 63.237 62.100 -0.029 0.000 1.137 140 T CB -0.313 68.604 68.868 0.082 0.000 0.879 140 T HN 0.439 nan 8.240 nan 0.000 0.467 141 A N 1.789 124.570 122.820 -0.066 0.000 2.015 141 A HA 0.393 4.713 4.320 0.000 0.000 0.219 141 A C 2.767 180.323 177.584 -0.047 0.000 1.163 141 A CA 1.491 53.505 52.037 -0.039 0.000 0.646 141 A CB -1.284 17.698 19.000 -0.030 0.000 0.806 141 A HN 0.725 nan 8.150 nan 0.000 0.448 142 A N -0.608 122.165 122.820 -0.079 0.000 2.024 142 A HA -0.059 4.261 4.320 0.000 0.000 0.220 142 A C 1.912 179.465 177.584 -0.052 0.000 1.164 142 A CA 1.649 53.642 52.037 -0.074 0.000 0.643 142 A CB -0.448 18.488 19.000 -0.108 0.000 0.806 142 A HN 0.402 nan 8.150 nan 0.000 0.451 143 L N 0.007 121.204 121.223 -0.044 0.000 2.141 143 L HA -0.121 4.220 4.340 0.000 0.000 0.209 143 L C 2.257 179.117 176.870 -0.017 0.000 1.094 143 L CA 2.258 57.083 54.840 -0.026 0.000 0.763 143 L CB -0.389 41.660 42.059 -0.017 0.000 0.908 143 L HN 0.647 nan 8.230 nan 0.000 0.437 144 K N -0.949 119.442 120.400 -0.015 0.000 2.469 144 K HA 0.418 4.738 4.320 0.000 0.000 0.201 144 K C 0.500 177.094 176.600 -0.010 0.000 1.028 144 K CA 0.040 56.322 56.287 -0.008 0.000 1.170 144 K CB 0.074 32.573 32.500 -0.003 0.000 0.874 144 K HN 0.076 nan 8.250 nan 0.000 0.507 145 A N 1.626 124.436 122.820 -0.016 0.000 2.322 145 A HA 0.139 4.459 4.320 0.000 0.000 0.269 145 A C -0.776 176.800 177.584 -0.014 0.000 1.094 145 A CA -0.530 51.498 52.037 -0.016 0.000 0.807 145 A CB 0.558 19.543 19.000 -0.025 0.000 1.047 145 A HN 0.375 nan 8.150 nan 0.000 0.487 146 D N 2.017 122.410 120.400 -0.012 0.000 2.347 146 D HA 0.377 5.017 4.640 0.000 0.000 0.235 146 D C -1.829 174.464 176.300 -0.012 0.000 1.149 146 D CA -1.977 52.017 54.000 -0.010 0.000 0.850 146 D CB 1.252 42.047 40.800 -0.007 0.000 1.061 146 D HN 0.077 nan 8.370 nan 0.000 0.487 147 P HA -0.178 nan 4.420 nan 0.000 0.213 147 P C 1.096 178.390 177.300 -0.010 0.000 1.170 147 P CA 2.079 65.171 63.100 -0.013 0.000 0.902 147 P CB 0.130 31.824 31.700 -0.010 0.000 0.789 148 A N -0.130 122.685 122.820 -0.007 0.000 1.892 148 A HA -0.286 4.034 4.320 0.000 0.000 0.218 148 A C 2.275 179.855 177.584 -0.006 0.000 1.188 148 A CA 2.259 54.293 52.037 -0.006 0.000 0.631 148 A CB -1.363 17.635 19.000 -0.004 0.000 0.822 148 A HN 0.172 nan 8.150 nan 0.000 0.447 149 K N -0.703 119.693 120.400 -0.007 0.000 2.288 149 K HA 0.083 4.404 4.320 0.000 0.000 0.201 149 K C 1.977 178.572 176.600 -0.009 0.000 1.048 149 K CA 0.893 57.176 56.287 -0.007 0.000 0.956 149 K CB -0.213 32.283 32.500 -0.007 0.000 0.746 149 K HN 0.406 nan 8.250 nan 0.000 0.461 150 A N 0.899 123.712 122.820 -0.012 0.000 1.903 150 A HA 0.071 4.391 4.320 0.000 0.000 0.213 150 A C 2.266 179.842 177.584 -0.014 0.000 1.185 150 A CA 1.204 53.231 52.037 -0.017 0.000 0.628 150 A CB -0.536 18.448 19.000 -0.026 0.000 0.830 150 A HN 0.371 nan 8.150 nan 0.000 0.446 151 A N 0.045 122.859 122.820 -0.010 0.000 1.978 151 A HA -0.175 4.145 4.320 0.000 0.000 0.220 151 A C 2.100 179.684 177.584 -0.000 0.000 1.170 151 A CA 2.004 54.039 52.037 -0.003 0.000 0.636 151 A CB -0.428 18.571 19.000 -0.002 0.000 0.810 151 A HN 0.558 nan 8.150 nan 0.000 0.448 152 K N -0.306 120.093 120.400 -0.003 0.000 2.001 152 K HA -0.087 4.233 4.320 0.000 0.000 0.208 152 K C 1.787 178.386 176.600 -0.002 0.000 1.048 152 K CA 1.679 57.965 56.287 -0.002 0.000 0.932 152 K CB -0.310 32.188 32.500 -0.004 0.000 0.715 152 K HN 0.200 nan 8.250 nan 0.000 0.437 153 V N 1.487 121.399 119.914 -0.003 0.000 2.490 153 V HA -0.242 3.878 4.120 0.000 0.000 0.250 153 V C 2.401 178.499 176.094 0.006 0.000 1.061 153 V CA 1.867 64.166 62.300 -0.001 0.000 1.064 153 V CB -0.613 31.209 31.823 -0.003 0.000 0.670 153 V HN 0.502 nan 8.190 nan 0.000 0.461 154 A N -0.136 122.689 122.820 0.009 0.000 1.858 154 A HA -0.191 4.129 4.320 0.000 0.000 0.216 154 A C 2.388 179.987 177.584 0.026 0.000 1.190 154 A CA 2.155 54.209 52.037 0.028 0.000 0.617 154 A CB -0.742 18.277 19.000 0.031 0.000 0.827 154 A HN 0.522 nan 8.150 nan 0.000 0.443 155 S N 0.471 116.179 115.700 0.014 0.000 2.547 155 S HA -0.057 4.414 4.470 0.000 0.000 0.235 155 S C 1.715 176.314 174.600 -0.002 0.000 0.980 155 S CA 1.169 59.373 58.200 0.006 0.000 0.941 155 S CB -0.262 62.939 63.200 0.003 0.000 0.763 155 S HN 0.827 nan 8.310 nan 0.000 0.532 156 S N 1.009 116.708 115.700 -0.002 0.000 2.540 156 S HA 0.232 4.703 4.470 0.000 0.000 0.218 156 S C 1.270 175.864 174.600 -0.011 0.000 0.977 156 S CA -0.399 57.797 58.200 -0.007 0.000 0.918 156 S CB -0.549 62.647 63.200 -0.007 0.000 0.806 156 S HN 0.723 nan 8.310 nan 0.000 0.496 157 I N -1.510 119.055 120.570 -0.007 0.000 4.082 157 I HA 0.484 4.654 4.170 0.000 0.000 0.337 157 I C 0.220 176.323 176.117 -0.024 0.000 1.352 157 I CA -0.439 60.853 61.300 -0.014 0.000 1.097 157 I CB 0.655 38.654 38.000 -0.003 0.000 1.048 157 I HN 0.236 nan 8.210 nan 0.000 0.393 158 S N 1.530 117.216 115.700 -0.022 0.000 2.550 158 S HA 0.521 4.992 4.470 0.000 0.000 0.270 158 S C -2.332 172.248 174.600 -0.033 0.000 1.145 158 S CA -0.835 57.342 58.200 -0.037 0.000 0.852 158 S CB 1.821 64.995 63.200 -0.044 0.000 1.119 158 S HN -0.007 nan 8.310 nan 0.000 0.465 159 P HA 0.030 nan 4.420 nan 0.000 0.233 159 P C 0.154 177.434 177.300 -0.032 0.000 1.167 159 P CA 0.159 63.238 63.100 -0.035 0.000 0.770 159 P CB 0.007 31.683 31.700 -0.040 0.000 0.837 160 R N 2.258 122.735 120.500 -0.039 0.000 2.242 160 R HA 0.118 4.458 4.340 0.000 0.000 0.334 160 R C 0.508 176.800 176.300 -0.013 0.000 1.071 160 R CA -0.319 55.761 56.100 -0.033 0.000 0.922 160 R CB 0.259 30.526 30.300 -0.054 0.000 1.023 160 R HN 0.111 nan 8.270 nan 0.000 0.458 161 K N 2.482 122.878 120.400 -0.007 0.000 2.234 161 K HA 0.217 4.537 4.320 0.000 0.000 0.282 161 K C -0.948 175.658 176.600 0.011 0.000 1.039 161 K CA -0.464 55.824 56.287 0.001 0.000 0.928 161 K CB 1.575 34.074 32.500 -0.003 0.000 1.039 161 K HN 0.230 nan 8.250 nan 0.000 0.470 162 T N 2.377 116.942 114.554 0.019 0.000 2.823 162 T HA 0.265 4.616 4.350 0.000 0.000 0.279 162 T C -0.148 174.560 174.700 0.013 0.000 0.998 162 T CA -0.799 61.316 62.100 0.025 0.000 0.994 162 T CB 1.502 70.395 68.868 0.042 0.000 0.960 162 T HN 0.762 nan 8.240 nan 0.000 0.448 163 T N -0.284 114.277 114.554 0.011 0.000 2.927 163 T HA 0.639 4.989 4.350 0.000 0.000 0.281 163 T C 1.692 176.394 174.700 0.003 0.000 0.998 163 T CA -0.467 61.637 62.100 0.006 0.000 1.019 163 T CB 1.198 70.069 68.868 0.004 0.000 1.061 163 T HN 0.502 nan 8.240 nan 0.000 0.518 164 A N 0.933 123.754 122.820 0.001 0.000 1.933 164 A HA 0.171 4.492 4.320 0.000 0.000 0.218 164 A C 2.601 180.184 177.584 -0.001 0.000 1.175 164 A CA 1.826 53.862 52.037 -0.002 0.000 0.628 164 A CB -1.553 17.445 19.000 -0.003 0.000 0.814 164 A HN 1.233 nan 8.150 nan 0.000 0.444 165 A N 0.153 122.974 122.820 0.001 0.000 1.908 165 A HA -0.222 4.098 4.320 0.000 0.000 0.218 165 A C 1.797 179.383 177.584 0.003 0.000 1.181 165 A CA 1.887 53.926 52.037 0.002 0.000 0.627 165 A CB -0.657 18.344 19.000 0.003 0.000 0.818 165 A HN 0.491 nan 8.150 nan 0.000 0.445 166 D N 0.160 120.564 120.400 0.006 0.000 2.106 166 D HA -0.168 4.473 4.640 0.000 0.000 0.191 166 D C 1.894 178.198 176.300 0.007 0.000 0.997 166 D CA 1.407 55.414 54.000 0.011 0.000 0.834 166 D CB -0.383 40.428 40.800 0.018 0.000 0.956 166 D HN 0.466 nan 8.370 nan 0.000 0.448 167 L N 0.412 121.634 121.223 -0.001 0.000 2.217 167 L HA -0.079 4.261 4.340 0.000 0.000 0.211 167 L C 2.476 179.338 176.870 -0.012 0.000 1.107 167 L CA 0.626 55.459 54.840 -0.013 0.000 0.783 167 L CB -0.230 41.816 42.059 -0.022 0.000 0.919 167 L HN -0.027 nan 8.230 nan 0.000 0.442 168 K N 0.857 121.254 120.400 -0.006 0.000 2.062 168 K HA -0.115 4.205 4.320 0.000 0.000 0.205 168 K C 2.109 178.707 176.600 -0.002 0.000 1.051 168 K CA 1.288 57.572 56.287 -0.005 0.000 0.941 168 K CB 0.024 32.523 32.500 -0.002 0.000 0.719 168 K HN 0.230 nan 8.250 nan 0.000 0.440 169 A N 0.888 123.708 122.820 0.001 0.000 1.940 169 A HA -0.127 4.193 4.320 0.000 0.000 0.219 169 A C 2.316 179.901 177.584 0.002 0.000 1.176 169 A CA 1.640 53.680 52.037 0.004 0.000 0.631 169 A CB -0.562 18.442 19.000 0.007 0.000 0.814 169 A HN 0.152 nan 8.150 nan 0.000 0.446 170 V N -0.471 119.442 119.914 -0.003 0.000 2.307 170 V HA -0.274 3.846 4.120 0.000 0.000 0.245 170 V C 2.633 178.718 176.094 -0.015 0.000 1.045 170 V CA 2.092 64.387 62.300 -0.009 0.000 1.024 170 V CB -0.773 31.041 31.823 -0.015 0.000 0.651 170 V HN 0.632 nan 8.190 nan 0.000 0.449 171 Q N -0.445 119.345 119.800 -0.017 0.000 2.152 171 Q HA -0.270 4.070 4.340 0.000 0.000 0.206 171 Q C 1.987 177.986 176.000 -0.003 0.000 0.985 171 Q CA 1.941 57.734 55.803 -0.017 0.000 0.863 171 Q CB -0.168 28.561 28.738 -0.016 0.000 0.904 171 Q HN 0.663 nan 8.270 nan 0.000 0.422 172 D N -0.072 120.330 120.400 0.003 0.000 2.149 172 D HA -0.123 4.517 4.640 0.000 0.000 0.201 172 D C 1.720 178.034 176.300 0.024 0.000 0.972 172 D CA 0.934 54.942 54.000 0.013 0.000 0.835 172 D CB -0.043 40.764 40.800 0.012 0.000 0.966 172 D HN 0.011 nan 8.370 nan 0.000 0.476 173 K N 0.858 121.269 120.400 0.018 0.000 2.026 173 K HA -0.044 4.276 4.320 0.000 0.000 0.208 173 K C 2.161 178.788 176.600 0.044 0.000 1.048 173 K CA 0.724 57.025 56.287 0.024 0.000 0.929 173 K CB -0.517 31.983 32.500 0.002 0.000 0.713 173 K HN 0.076 nan 8.250 nan 0.000 0.439 174 L N 0.627 121.862 121.223 0.019 0.000 1.970 174 L HA -0.225 4.115 4.340 0.000 0.000 0.212 174 L C 2.607 179.548 176.870 0.118 0.000 1.071 174 L CA 1.768 56.633 54.840 0.041 0.000 0.751 174 L CB -0.512 41.532 42.059 -0.024 0.000 0.889 174 L HN 0.274 nan 8.230 nan 0.000 0.432 175 K N -0.515 119.923 120.400 0.063 0.000 2.059 175 K HA -0.229 4.091 4.320 0.000 0.000 0.212 175 K C 1.934 178.578 176.600 0.074 0.000 1.050 175 K CA 2.239 58.559 56.287 0.056 0.000 0.927 175 K CB -0.138 32.380 32.500 0.029 0.000 0.714 175 K HN 0.335 nan 8.250 nan 0.000 0.447 176 T N 0.757 115.363 114.554 0.087 0.000 2.720 176 T HA -0.174 4.176 4.350 0.000 0.000 0.268 176 T C 1.442 176.221 174.700 0.132 0.000 1.037 176 T CA 1.524 63.678 62.100 0.089 0.000 1.144 176 T CB -0.431 68.489 68.868 0.087 0.000 0.864 176 T HN 0.327 nan 8.240 nan 0.000 0.444 177 F N 1.951 121.911 119.950 0.016 0.000 2.102 177 F HA -0.104 4.423 4.527 0.000 0.000 0.298 177 F C 2.188 178.006 175.800 0.030 0.000 1.105 177 F CA 0.844 58.863 58.000 0.032 0.000 1.239 177 F CB -0.510 38.518 39.000 0.047 0.000 0.991 177 F HN -0.087 nan 8.300 nan 0.000 0.474 178 V N 0.485 120.435 119.914 0.061 0.000 2.515 178 V HA -0.234 3.886 4.120 0.000 0.000 0.250 178 V C 1.873 177.915 176.094 -0.085 0.000 1.058 178 V CA 2.065 64.325 62.300 -0.067 0.000 1.064 178 V CB -0.685 31.155 31.823 0.028 0.000 0.675 178 V HN 0.359 nan 8.190 nan 0.000 0.461 179 E N 0.242 120.420 120.200 -0.037 0.000 2.502 179 E HA -0.082 4.268 4.350 0.000 0.000 0.194 179 E C 1.959 178.529 176.600 -0.049 0.000 1.062 179 E CA 1.054 57.434 56.400 -0.033 0.000 0.867 179 E CB -0.071 29.625 29.700 -0.006 0.000 0.888 179 E HN 0.791 nan 8.360 nan 0.000 0.510 180 T N -3.180 111.323 114.554 -0.084 0.000 3.100 180 T HA 0.191 4.541 4.350 0.000 0.000 0.253 180 T C 1.699 176.338 174.700 -0.102 0.000 1.118 180 T CA 0.437 62.488 62.100 -0.082 0.000 1.058 180 T CB 0.398 69.217 68.868 -0.082 0.000 0.953 180 T HN 0.248 nan 8.240 nan 0.000 0.515 181 G N 1.324 110.049 108.800 -0.126 0.000 2.267 181 G HA2 -0.288 3.672 3.960 0.000 0.000 0.257 181 G HA3 -0.288 3.672 3.960 0.000 0.000 0.257 181 G C 0.155 174.970 174.900 -0.141 0.000 0.998 181 G CA 0.190 45.225 45.100 -0.108 0.000 0.620 181 G HN 0.630 nan 8.290 nan 0.000 0.529 182 Q N 0.404 120.085 119.800 -0.198 0.000 2.571 182 Q HA 0.573 4.913 4.340 0.000 0.000 0.222 182 Q C 1.450 177.204 176.000 -0.410 0.000 1.167 182 Q CA -0.442 55.237 55.803 -0.207 0.000 0.966 182 Q CB 0.410 29.065 28.738 -0.138 0.000 1.274 182 Q HN 0.510 nan 8.270 nan 0.000 0.552 183 L N 0.875 121.926 121.223 -0.286 0.000 2.610 183 L HA 0.029 4.369 4.340 0.000 0.000 0.232 183 L C 1.483 178.430 176.870 0.128 0.000 1.149 183 L CA 0.322 55.025 54.840 -0.228 0.000 0.872 183 L CB -0.751 41.315 42.059 0.012 0.000 0.992 183 L HN 0.887 nan 8.230 nan 0.000 0.447 184 G N 1.764 110.597 108.800 0.056 0.000 2.699 184 G HA2 -0.355 3.605 3.960 0.000 0.000 0.347 184 G HA3 -0.355 3.605 3.960 0.000 0.000 0.347 184 G C -1.140 173.777 174.900 0.029 0.000 1.225 184 G CA 0.741 45.901 45.100 0.100 0.000 0.973 184 G HN 0.272 nan 8.290 nan 0.000 0.551 185 P HA 0.098 nan 4.420 nan 0.000 0.225 185 P C 1.234 178.280 177.300 -0.423 0.000 1.148 185 P CA 1.223 64.131 63.100 -0.319 0.000 0.779 185 P CB -0.183 31.208 31.700 -0.514 0.000 0.780 186 F N -2.289 117.733 119.950 0.120 0.000 2.693 186 F HA 0.127 4.654 4.527 0.000 0.000 0.303 186 F C 1.997 177.770 175.800 -0.046 0.000 1.097 186 F CA 0.239 58.274 58.000 0.058 0.000 1.330 186 F CB -1.435 37.666 39.000 0.168 0.000 1.067 186 F HN -0.207 nan 8.300 nan 0.000 0.565 187 T N 0.667 115.258 114.554 0.062 0.000 2.427 187 T HA -0.292 4.058 4.350 0.000 0.000 0.244 187 T C 1.257 175.942 174.700 -0.024 0.000 1.325 187 T CA 2.051 64.159 62.100 0.012 0.000 1.173 187 T CB -0.346 68.520 68.868 -0.003 0.000 0.859 187 T HN 0.140 nan 8.240 nan 0.000 0.415 188 N N 1.583 120.265 118.700 -0.030 0.000 2.451 188 N HA 0.479 5.219 4.740 0.000 0.000 0.264 188 N C -0.383 175.106 175.510 -0.035 0.000 1.167 188 N CA -0.128 52.910 53.050 -0.019 0.000 0.898 188 N CB -0.025 38.481 38.487 0.031 0.000 1.176 188 N HN 0.493 nan 8.380 nan 0.000 0.507 189 A N 0.244 122.945 122.820 -0.197 0.000 2.567 189 A HA -0.065 4.255 4.320 0.000 0.000 0.240 189 A C 0.695 178.113 177.584 -0.277 0.000 1.053 189 A CA 0.029 51.814 52.037 -0.419 0.000 0.755 189 A CB 0.082 18.464 19.000 -1.030 0.000 0.978 189 A HN 0.293 nan 8.150 nan 0.000 0.507 190 Y N 2.311 122.466 120.300 -0.241 0.000 2.446 190 Y HA -0.227 4.323 4.550 0.000 0.000 0.287 190 Y C 1.703 177.574 175.900 -0.049 0.000 1.159 190 Y CA 1.806 59.890 58.100 -0.027 0.000 1.297 190 Y CB -1.126 37.420 38.460 0.142 0.000 0.974 190 Y HN 0.869 nan 8.280 nan 0.000 0.557 191 F N -1.759 118.145 119.950 -0.076 0.000 2.619 191 F HA 0.230 4.757 4.527 0.000 0.000 0.293 191 F C 0.652 176.359 175.800 -0.156 0.000 1.119 191 F CA -0.809 56.950 58.000 -0.402 0.000 1.445 191 F CB -1.110 37.341 39.000 -0.915 0.000 1.119 191 F HN -0.299 nan 8.300 nan 0.000 0.573 192 L N 2.449 123.530 121.223 -0.238 0.000 2.640 192 L HA 0.132 4.472 4.340 0.000 0.000 0.280 192 L C 1.523 178.390 176.870 -0.005 0.000 1.229 192 L CA 1.144 55.939 54.840 -0.074 0.000 0.919 192 L CB -0.390 41.586 42.059 -0.138 0.000 1.168 192 L HN 0.718 nan 8.230 nan 0.000 0.496 193 G N 2.126 110.943 108.800 0.028 0.000 2.162 193 G HA2 -0.076 3.884 3.960 0.000 0.000 0.260 193 G HA3 -0.076 3.884 3.960 0.000 0.000 0.260 193 G C 0.591 175.514 174.900 0.039 0.000 0.976 193 G CA 0.193 45.307 45.100 0.023 0.000 0.655 193 G HN 1.578 nan 8.290 nan 0.000 0.533 194 G N -1.107 107.733 108.800 0.067 0.000 2.862 194 G HA2 0.316 4.276 3.960 0.000 0.000 0.686 194 G HA3 0.316 4.276 3.960 0.000 0.000 0.686 194 G C -0.763 174.216 174.900 0.131 0.000 1.134 194 G CA 0.453 45.612 45.100 0.098 0.000 0.791 194 G HN 1.729 nan 8.290 nan 0.000 0.592 195 H N 4.515 123.649 119.070 0.107 0.000 2.679 195 H HA 0.550 5.106 4.556 0.000 0.000 0.360 195 H C -1.567 173.924 175.328 0.272 0.000 1.105 195 H CA -1.448 54.707 56.048 0.179 0.000 1.196 195 H CB 2.581 32.485 29.762 0.236 0.000 1.636 195 H HN 0.310 nan 8.280 nan 0.000 0.531 196 P HA -0.003 nan 4.420 nan 0.000 0.236 196 P C 0.517 178.151 177.300 0.557 0.000 1.172 196 P CA 0.685 64.026 63.100 0.401 0.000 0.759 196 P CB 0.218 32.065 31.700 0.244 0.000 0.843 197 A N -1.838 121.402 122.820 0.700 0.000 2.390 197 A HA 0.185 4.505 4.320 0.000 0.000 0.232 197 A C 0.030 177.741 177.584 0.211 0.000 1.233 197 A CA -0.193 52.113 52.037 0.449 0.000 0.907 197 A CB -0.308 18.824 19.000 0.220 0.000 0.967 197 A HN 0.031 nan 8.150 nan 0.000 0.512 198 Y N -0.382 120.083 120.300 0.275 0.000 2.335 198 Y HA 0.439 4.989 4.550 0.000 0.000 0.339 198 Y C 0.637 176.759 175.900 0.370 0.000 0.987 198 Y CA -0.521 57.722 58.100 0.239 0.000 1.140 198 Y CB 0.730 39.306 38.460 0.192 0.000 1.173 198 Y HN 0.281 nan 8.280 nan 0.000 0.486 199 Y N 0.561 120.951 120.300 0.150 0.000 2.500 199 Y HA 0.147 4.697 4.550 0.000 0.000 0.284 199 Y C 0.629 176.498 175.900 -0.050 0.000 1.118 199 Y CA -0.744 57.322 58.100 -0.056 0.000 1.241 199 Y CB -0.377 37.867 38.460 -0.361 0.000 1.171 199 Y HN 0.313 nan 8.280 nan 0.000 0.540 200 L N 3.187 124.482 121.223 0.121 0.000 2.653 200 L HA -0.113 4.227 4.340 0.000 0.000 0.288 200 L C 0.467 177.382 176.870 0.075 0.000 1.243 200 L CA 0.005 54.895 54.840 0.084 0.000 0.906 200 L CB -0.749 41.378 42.059 0.114 0.000 1.154 200 L HN 0.350 nan 8.230 nan 0.000 0.498 201 D N 4.164 124.588 120.400 0.040 0.000 2.398 201 D HA 0.228 4.869 4.640 0.000 0.000 0.247 201 D C -1.954 174.356 176.300 0.018 0.000 1.227 201 D CA -1.304 52.712 54.000 0.028 0.000 0.980 201 D CB 0.167 40.974 40.800 0.013 0.000 1.106 201 D HN 0.283 nan 8.370 nan 0.000 0.493 202 P HA -0.160 nan 4.420 nan 0.000 0.215 202 P C 0.937 178.227 177.300 -0.016 0.000 1.157 202 P CA 1.384 64.480 63.100 -0.006 0.000 0.874 202 P CB 0.090 31.787 31.700 -0.005 0.000 0.790 203 E N -0.913 119.279 120.200 -0.012 0.000 2.049 203 E HA -0.158 4.192 4.350 0.000 0.000 0.198 203 E C 2.048 178.634 176.600 -0.023 0.000 1.007 203 E CA 1.909 58.298 56.400 -0.018 0.000 0.809 203 E CB -1.632 28.061 29.700 -0.012 0.000 0.749 203 E HN 0.231 nan 8.360 nan 0.000 0.450 204 T N 0.435 114.983 114.554 -0.010 0.000 2.746 204 T HA -0.136 4.214 4.350 0.000 0.000 0.267 204 T C 1.590 176.284 174.700 -0.010 0.000 1.039 204 T CA 1.523 63.621 62.100 -0.003 0.000 1.142 204 T CB -0.488 68.391 68.868 0.018 0.000 0.866 204 T HN 0.204 nan 8.240 nan 0.000 0.444 205 N N 0.752 119.444 118.700 -0.014 0.000 2.149 205 N HA -0.063 4.677 4.740 0.000 0.000 0.188 205 N C 1.651 177.120 175.510 -0.068 0.000 1.019 205 N CA 0.632 53.659 53.050 -0.039 0.000 0.857 205 N CB -0.246 38.208 38.487 -0.055 0.000 0.997 205 N HN 0.139 nan 8.380 nan 0.000 0.426 206 L N 0.927 122.110 121.223 -0.066 0.000 2.093 206 L HA 0.026 4.366 4.340 0.000 0.000 0.208 206 L C 1.610 178.412 176.870 -0.113 0.000 1.085 206 L CA 1.301 56.092 54.840 -0.081 0.000 0.755 206 L CB -0.356 41.666 42.059 -0.063 0.000 0.904 206 L HN 0.209 nan 8.230 nan 0.000 0.435 207 I N -0.323 120.172 120.570 -0.126 0.000 2.142 207 I HA -0.287 3.883 4.170 0.000 0.000 0.240 207 I C 2.583 178.503 176.117 -0.328 0.000 1.078 207 I CA 1.276 62.425 61.300 -0.252 0.000 1.343 207 I CB -0.714 37.189 38.000 -0.161 0.000 1.046 207 I HN 0.333 nan 8.210 nan 0.000 0.405 208 A N 0.292 123.063 122.820 -0.081 0.000 1.933 208 A HA -0.186 4.134 4.320 0.000 0.000 0.218 208 A C 2.362 180.019 177.584 0.122 0.000 1.175 208 A CA 2.357 54.453 52.037 0.099 0.000 0.628 208 A CB -1.042 18.035 19.000 0.128 0.000 0.814 208 A HN 0.412 nan 8.150 nan 0.000 0.444 209 T N 0.188 114.742 114.554 -0.001 0.000 2.821 209 T HA 0.045 4.395 4.350 0.000 0.000 0.267 209 T C 2.180 176.909 174.700 0.048 0.000 1.046 209 T CA 1.333 63.424 62.100 -0.015 0.000 1.139 209 T CB -0.349 68.446 68.868 -0.123 0.000 0.871 209 T HN 0.578 nan 8.240 nan 0.000 0.454 210 A N 0.997 123.800 122.820 -0.029 0.000 1.969 210 A HA -0.114 4.206 4.320 0.000 0.000 0.218 210 A C 1.873 179.535 177.584 0.129 0.000 1.169 210 A CA 1.307 53.343 52.037 -0.002 0.000 0.635 210 A CB -0.757 18.186 19.000 -0.095 0.000 0.810 210 A HN 0.700 nan 8.150 nan 0.000 0.445 211 H N -3.752 115.373 119.070 0.091 0.000 2.512 211 H HA -0.015 4.541 4.556 0.000 0.000 0.279 211 H C 1.833 177.073 175.328 -0.146 0.000 0.999 211 H CA 0.994 57.052 56.048 0.017 0.000 1.283 211 H CB 0.009 29.833 29.762 0.104 0.000 1.421 211 H HN 0.681 nan 8.280 nan 0.000 0.554 212 Y N 0.983 121.308 120.300 0.041 0.000 2.220 212 Y HA -0.167 4.383 4.550 0.000 0.000 0.291 212 Y C 1.813 177.752 175.900 0.064 0.000 1.129 212 Y CA 0.830 58.948 58.100 0.031 0.000 1.161 212 Y CB -0.149 38.403 38.460 0.154 0.000 0.997 212 Y HN 0.030 nan 8.280 nan 0.000 0.522 213 L N 0.699 122.122 121.223 0.333 0.000 2.109 213 L HA -0.105 4.235 4.340 0.000 0.000 0.207 213 L C 2.495 179.408 176.870 0.072 0.000 1.086 213 L CA 1.886 56.850 54.840 0.208 0.000 0.760 213 L CB -0.955 41.198 42.059 0.155 0.000 0.910 213 L HN 0.347 nan 8.230 nan 0.000 0.437 214 E N -0.276 119.964 120.200 0.066 0.000 2.047 214 E HA -0.199 4.151 4.350 0.000 0.000 0.191 214 E C 2.164 178.698 176.600 -0.109 0.000 0.987 214 E CA 0.989 57.407 56.400 0.031 0.000 0.799 214 E CB -0.058 29.726 29.700 0.141 0.000 0.752 214 E HN 0.413 nan 8.360 nan 0.000 0.449 215 A N 0.876 123.558 122.820 -0.230 0.000 2.186 215 A HA -0.136 4.184 4.320 0.000 0.000 0.219 215 A C 2.069 179.534 177.584 -0.197 0.000 1.159 215 A CA 0.790 52.539 52.037 -0.480 0.000 0.680 215 A CB -0.496 18.090 19.000 -0.691 0.000 0.787 215 A HN 0.328 nan 8.150 nan 0.000 0.467 216 L N -1.557 119.620 121.223 -0.077 0.000 2.109 216 L HA -0.087 4.253 4.340 0.000 0.000 0.207 216 L C 2.751 179.535 176.870 -0.143 0.000 1.086 216 L CA 1.051 55.807 54.840 -0.140 0.000 0.760 216 L CB -0.272 41.681 42.059 -0.178 0.000 0.910 216 L HN 0.359 nan 8.230 nan 0.000 0.437 217 R N -0.743 119.682 120.500 -0.125 0.000 2.210 217 R HA -0.042 4.298 4.340 0.000 0.000 0.203 217 R C 2.045 178.260 176.300 -0.142 0.000 1.010 217 R CA 0.481 56.515 56.100 -0.110 0.000 1.008 217 R CB 0.000 30.256 30.300 -0.074 0.000 0.923 217 R HN 0.209 nan 8.270 nan 0.000 0.469 218 L N 1.606 122.690 121.223 -0.232 0.000 2.095 218 L HA -0.156 4.184 4.340 0.000 0.000 0.204 218 L C 2.203 178.929 176.870 -0.240 0.000 1.080 218 L CA 1.561 56.223 54.840 -0.298 0.000 0.759 218 L CB -0.209 41.488 42.059 -0.603 0.000 0.914 218 L HN 0.037 nan 8.230 nan 0.000 0.439 219 Q N -0.134 119.520 119.800 -0.243 0.000 2.248 219 Q HA -0.184 4.156 4.340 0.000 0.000 0.208 219 Q C 1.901 177.922 176.000 0.036 0.000 0.984 219 Q CA 2.400 58.115 55.803 -0.145 0.000 0.875 219 Q CB -1.694 26.898 28.738 -0.244 0.000 0.910 219 Q HN 0.528 nan 8.270 nan 0.000 0.433 220 V N -1.730 118.168 119.914 -0.027 0.000 2.427 220 V HA -0.144 3.976 4.120 0.000 0.000 0.248 220 V C 2.012 178.092 176.094 -0.023 0.000 1.051 220 V CA 1.664 63.959 62.300 -0.008 0.000 1.048 220 V CB -0.443 31.356 31.823 -0.040 0.000 0.666 220 V HN 0.171 nan 8.190 nan 0.000 0.456 221 K N 1.410 121.779 120.400 -0.052 0.000 2.026 221 K HA 0.046 4.366 4.320 0.000 0.000 0.208 221 K C 2.419 178.986 176.600 -0.055 0.000 1.048 221 K CA 1.747 57.994 56.287 -0.067 0.000 0.929 221 K CB -0.902 31.544 32.500 -0.089 0.000 0.713 221 K HN 0.625 nan 8.250 nan 0.000 0.439 222 A N 1.020 123.832 122.820 -0.014 0.000 2.067 222 A HA 0.002 4.322 4.320 0.000 0.000 0.219 222 A C 2.221 179.834 177.584 0.049 0.000 1.158 222 A CA 1.702 53.761 52.037 0.037 0.000 0.661 222 A CB -0.283 18.775 19.000 0.097 0.000 0.801 222 A HN 0.309 nan 8.150 nan 0.000 0.452 223 A N -0.593 122.242 122.820 0.026 0.000 1.984 223 A HA 0.073 4.394 4.320 0.000 0.000 0.214 223 A C 2.123 179.633 177.584 -0.122 0.000 1.173 223 A CA 0.987 52.925 52.037 -0.165 0.000 0.673 223 A CB -0.358 18.483 19.000 -0.265 0.000 0.830 223 A HN 0.469 nan 8.150 nan 0.000 0.453 224 R N -0.005 120.444 120.500 -0.086 0.000 2.152 224 R HA -0.104 4.237 4.340 0.000 0.000 0.232 224 R C 2.119 178.352 176.300 -0.112 0.000 1.117 224 R CA 1.237 57.283 56.100 -0.090 0.000 0.981 224 R CB -0.312 29.942 30.300 -0.077 0.000 0.870 224 R HN 0.443 nan 8.270 nan 0.000 0.451 225 A N 0.782 123.528 122.820 -0.123 0.000 1.940 225 A HA -0.187 4.133 4.320 0.000 0.000 0.219 225 A C 2.144 179.677 177.584 -0.084 0.000 1.176 225 A CA 1.545 53.488 52.037 -0.156 0.000 0.631 225 A CB -0.381 18.471 19.000 -0.246 0.000 0.814 225 A HN 0.344 nan 8.150 nan 0.000 0.446 226 M N -0.781 118.760 119.600 -0.097 0.000 2.175 226 M HA -0.098 4.382 4.480 0.000 0.000 0.264 226 M C 2.367 178.547 176.300 -0.200 0.000 1.063 226 M CA 1.301 56.515 55.300 -0.143 0.000 1.119 226 M CB -0.318 32.199 32.600 -0.138 0.000 1.377 226 M HN 0.465 nan 8.290 nan 0.000 0.415 227 A N -0.249 122.479 122.820 -0.153 0.000 2.168 227 A HA 0.006 4.326 4.320 0.000 0.000 0.215 227 A C 2.127 179.622 177.584 -0.148 0.000 1.152 227 A CA 0.704 52.663 52.037 -0.130 0.000 0.716 227 A CB -0.698 18.252 19.000 -0.084 0.000 0.794 227 A HN 0.294 nan 8.150 nan 0.000 0.465 228 V N -1.220 118.563 119.914 -0.217 0.000 2.295 228 V HA -0.218 3.902 4.120 0.000 0.000 0.246 228 V C 2.147 178.115 176.094 -0.210 0.000 1.049 228 V CA 2.086 64.228 62.300 -0.263 0.000 1.024 228 V CB -0.835 30.733 31.823 -0.425 0.000 0.648 228 V HN 0.584 nan 8.190 nan 0.000 0.447 229 F N 0.263 120.074 119.950 -0.230 0.000 2.453 229 F HA 0.440 4.967 4.527 0.000 0.000 0.284 229 F C 1.779 177.219 175.800 -0.601 0.000 1.065 229 F CA -0.200 57.563 58.000 -0.394 0.000 1.411 229 F CB -1.385 37.288 39.000 -0.545 0.000 1.131 229 F HN 0.143 nan 8.300 nan 0.000 0.582 230 G N -0.496 107.967 108.800 -0.561 0.000 2.651 230 G HA2 0.369 4.329 3.960 0.000 0.000 0.260 230 G HA3 0.369 4.329 3.960 0.000 0.000 0.260 230 G C 0.970 175.785 174.900 -0.141 0.000 1.216 230 G CA 0.188 44.938 45.100 -0.584 0.000 0.913 230 G HN 0.333 nan 8.290 nan 0.000 0.535 231 A N -0.528 122.318 122.820 0.043 0.000 2.030 231 A HA 0.354 4.674 4.320 0.000 0.000 0.215 231 A C 1.102 178.704 177.584 0.029 0.000 1.164 231 A CA 1.620 53.692 52.037 0.058 0.000 0.697 231 A CB -0.107 18.964 19.000 0.118 0.000 0.827 231 A HN 0.797 nan 8.150 nan 0.000 0.457 232 K N -2.064 118.354 120.400 0.030 0.000 2.680 232 K HA 0.379 4.699 4.320 0.000 0.000 0.295 232 K C -1.739 174.863 176.600 0.004 0.000 1.052 232 K CA -0.711 55.582 56.287 0.010 0.000 0.863 232 K CB 0.623 33.142 32.500 0.032 0.000 1.549 232 K HN 0.096 nan 8.250 nan 0.000 0.391 233 N N 0.499 119.181 118.700 -0.029 0.000 2.425 233 N HA 0.420 5.161 4.740 0.000 0.000 0.289 233 N C -2.863 172.598 175.510 -0.082 0.000 1.074 233 N CA -0.940 52.072 53.050 -0.063 0.000 0.905 233 N CB 1.860 40.271 38.487 -0.126 0.000 1.586 233 N HN 0.493 nan 8.380 nan 0.000 0.490 234 P HA 0.277 nan 4.420 nan 0.000 0.274 234 P C -1.243 176.032 177.300 -0.041 0.000 1.237 234 P CA 0.241 63.245 63.100 -0.159 0.000 0.793 234 P CB 0.269 31.761 31.700 -0.346 0.000 0.977 235 H N -2.751 116.359 119.070 0.066 0.000 3.094 235 H HA -0.114 4.442 4.556 0.000 0.000 0.336 235 H C 0.035 175.435 175.328 0.120 0.000 1.069 235 H CA -0.030 56.075 56.048 0.096 0.000 1.079 235 H CB -1.455 28.349 29.762 0.068 0.000 1.599 235 H HN 0.431 nan 8.280 nan 0.000 0.380 236 T N 1.391 116.126 114.554 0.301 0.000 2.828 236 T HA 0.251 4.601 4.350 0.000 0.000 0.290 236 T C 0.519 175.403 174.700 0.307 0.000 1.019 236 T CA -0.147 62.127 62.100 0.291 0.000 1.031 236 T CB 1.175 70.248 68.868 0.342 0.000 1.001 236 T HN 0.577 nan 8.240 nan 0.000 0.531 237 Q N 1.911 121.907 119.800 0.327 0.000 3.429 237 Q HA 0.369 4.709 4.340 0.000 0.000 0.237 237 Q C -0.793 175.417 176.000 0.349 0.000 0.932 237 Q CA -0.379 55.594 55.803 0.283 0.000 0.731 237 Q CB 0.227 29.095 28.738 0.216 0.000 1.383 237 Q HN 0.752 nan 8.270 nan 0.000 0.446 238 F N -2.035 117.975 119.950 0.100 0.000 2.964 238 F HA 0.329 4.856 4.527 0.000 0.000 0.371 238 F C 0.336 176.172 175.800 0.061 0.000 1.026 238 F CA -0.222 57.822 58.000 0.072 0.000 1.106 238 F CB -0.007 39.022 39.000 0.049 0.000 1.135 238 F HN 0.038 nan 8.300 nan 0.000 0.557 239 T N 1.455 115.682 114.554 -0.544 0.000 2.899 239 T HA 0.722 5.072 4.350 0.000 0.000 0.284 239 T C -0.125 174.457 174.700 -0.196 0.000 1.004 239 T CA 0.168 61.984 62.100 -0.474 0.000 1.043 239 T CB 1.925 70.495 68.868 -0.497 0.000 1.013 239 T HN 0.799 nan 8.240 nan 0.000 0.518 240 V N -2.059 117.759 119.914 -0.159 0.000 3.279 240 V HA 0.619 4.739 4.120 0.000 0.000 0.296 240 V C -0.450 175.561 176.094 -0.137 0.000 1.470 240 V CA -1.478 60.776 62.300 -0.077 0.000 1.065 240 V CB 1.159 33.005 31.823 0.039 0.000 1.124 240 V HN 0.822 nan 8.190 nan 0.000 0.461 241 V N 1.704 121.515 119.914 -0.173 0.000 2.572 241 V HA 0.589 4.709 4.120 0.000 0.000 0.291 241 V C 1.594 177.493 176.094 -0.324 0.000 1.039 241 V CA 1.606 63.637 62.300 -0.449 0.000 1.055 241 V CB -0.045 31.168 31.823 -1.016 0.000 0.969 241 V HN 2.057 nan 8.190 nan 0.000 0.482 242 G N 3.098 111.734 108.800 -0.273 0.000 2.254 242 G HA2 0.044 4.004 3.960 0.000 0.000 0.225 242 G HA3 0.044 4.004 3.960 0.000 0.000 0.225 242 G C 0.566 175.466 174.900 -0.000 0.000 1.003 242 G CA -0.008 45.065 45.100 -0.045 0.000 0.622 242 G HN 1.736 nan 8.290 nan 0.000 0.507 243 G N -1.610 107.166 108.800 -0.039 0.000 2.600 243 G HA2 0.636 4.596 3.960 0.000 0.000 0.072 243 G HA3 0.636 4.596 3.960 0.000 0.000 0.072 243 G C -0.379 174.482 174.900 -0.066 0.000 1.051 243 G CA 1.340 46.419 45.100 -0.036 0.000 1.230 243 G HN 1.953 nan 8.290 nan 0.000 0.547 244 V N -2.491 117.396 119.914 -0.045 0.000 3.206 244 V HA 0.850 4.970 4.120 0.000 0.000 0.305 244 V C 0.706 176.784 176.094 -0.027 0.000 1.257 244 V CA 0.762 63.046 62.300 -0.027 0.000 1.057 244 V CB 1.230 33.097 31.823 0.074 0.000 1.075 244 V HN 1.628 nan 8.190 nan 0.000 0.443 245 T N -2.780 111.801 114.554 0.044 0.000 2.971 245 T HA 0.083 4.433 4.350 0.000 0.000 0.252 245 T C 0.812 175.509 174.700 -0.005 0.000 1.022 245 T CA 0.801 62.921 62.100 0.032 0.000 0.980 245 T CB -0.662 68.284 68.868 0.130 0.000 1.044 245 T HN 1.556 nan 8.240 nan 0.000 0.501 246 C N 2.371 121.686 119.300 0.025 0.000 2.551 246 C HA 0.477 4.937 4.460 0.000 0.000 0.378 246 C C 1.291 176.239 174.990 -0.070 0.000 1.101 246 C CA -1.434 57.601 59.018 0.027 0.000 1.360 246 C CB -2.678 25.092 27.740 0.051 0.000 1.895 246 C HN 0.397 nan 8.230 nan 0.000 0.540 247 Y N 0.530 120.869 120.300 0.066 0.000 2.483 247 Y HA -0.091 4.459 4.550 0.000 0.000 0.291 247 Y C 2.041 177.967 175.900 0.042 0.000 1.143 247 Y CA 1.852 59.981 58.100 0.049 0.000 1.289 247 Y CB -0.279 38.209 38.460 0.047 0.000 0.983 247 Y HN 0.595 nan 8.280 nan 0.000 0.556 248 D N -0.559 119.939 120.400 0.162 0.000 2.224 248 D HA -0.087 4.553 4.640 0.000 0.000 0.205 248 D C 2.119 178.486 176.300 0.112 0.000 0.965 248 D CA 0.969 55.048 54.000 0.133 0.000 0.852 248 D CB -0.166 40.712 40.800 0.131 0.000 0.947 248 D HN 0.265 nan 8.370 nan 0.000 0.494 249 A N -0.211 122.636 122.820 0.045 0.000 2.225 249 A HA -0.100 4.220 4.320 0.000 0.000 0.215 249 A C 1.686 179.235 177.584 -0.057 0.000 1.164 249 A CA 0.726 52.700 52.037 -0.104 0.000 0.710 249 A CB -0.275 18.386 19.000 -0.565 0.000 0.780 249 A HN 0.182 nan 8.150 nan 0.000 0.473 250 L N -0.064 121.170 121.223 0.018 0.000 2.307 250 L HA 0.047 4.387 4.340 0.000 0.000 0.211 250 L C 1.732 178.608 176.870 0.011 0.000 1.099 250 L CA 1.486 56.331 54.840 0.008 0.000 0.816 250 L CB -0.820 41.257 42.059 0.030 0.000 0.952 250 L HN 0.502 nan 8.230 nan 0.000 0.455 251 T N -3.386 111.202 114.554 0.058 0.000 2.926 251 T HA 0.100 4.450 4.350 0.000 0.000 0.307 251 T C -1.611 173.128 174.700 0.065 0.000 1.059 251 T CA -1.181 60.954 62.100 0.057 0.000 1.122 251 T CB 0.946 69.858 68.868 0.074 0.000 0.972 251 T HN -0.069 nan 8.240 nan 0.000 0.545 252 P HA -0.072 nan 4.420 nan 0.000 0.217 252 P C 1.618 178.962 177.300 0.074 0.000 1.150 252 P CA 0.848 63.975 63.100 0.046 0.000 0.832 252 P CB 0.070 31.785 31.700 0.025 0.000 0.787 253 Q N -0.476 119.367 119.800 0.071 0.000 2.030 253 Q HA -0.126 4.214 4.340 0.000 0.000 0.204 253 Q C 2.254 178.315 176.000 0.102 0.000 0.986 253 Q CA 1.629 57.476 55.803 0.073 0.000 0.843 253 Q CB -0.782 27.993 28.738 0.060 0.000 0.904 253 Q HN 0.220 nan 8.270 nan 0.000 0.420 254 R N -0.037 120.544 120.500 0.136 0.000 2.115 254 R HA -0.019 4.321 4.340 0.000 0.000 0.230 254 R C 2.231 178.692 176.300 0.269 0.000 1.111 254 R CA 1.129 57.344 56.100 0.191 0.000 0.976 254 R CB -0.373 30.080 30.300 0.254 0.000 0.870 254 R HN 0.346 nan 8.270 nan 0.000 0.445 255 I N 0.438 121.181 120.570 0.288 0.000 2.546 255 I HA -0.160 4.010 4.170 0.000 0.000 0.255 255 I C 2.546 178.816 176.117 0.255 0.000 1.163 255 I CA 0.808 62.311 61.300 0.338 0.000 1.457 255 I CB -0.357 37.790 38.000 0.245 0.000 1.092 255 I HN 0.098 nan 8.210 nan 0.000 0.434 256 A N 0.696 123.616 122.820 0.167 0.000 1.873 256 A HA -0.237 4.083 4.320 0.000 0.000 0.215 256 A C 2.325 179.978 177.584 0.114 0.000 1.186 256 A CA 1.712 53.824 52.037 0.126 0.000 0.616 256 A CB -0.593 18.457 19.000 0.082 0.000 0.823 256 A HN 0.459 nan 8.150 nan 0.000 0.442 257 E N -1.128 119.128 120.200 0.095 0.000 2.058 257 E HA -0.249 4.102 4.350 0.000 0.000 0.194 257 E C 1.806 178.428 176.600 0.036 0.000 0.997 257 E CA 1.628 58.055 56.400 0.045 0.000 0.801 257 E CB -0.319 29.396 29.700 0.025 0.000 0.746 257 E HN 0.581 nan 8.360 nan 0.000 0.450 258 F N 1.645 121.538 119.950 -0.096 0.000 2.134 258 F HA -0.170 4.357 4.527 0.000 0.000 0.299 258 F C 2.300 178.120 175.800 0.035 0.000 1.097 258 F CA 2.117 60.030 58.000 -0.144 0.000 1.264 258 F CB -0.181 38.624 39.000 -0.325 0.000 1.001 258 F HN 0.092 nan 8.300 nan 0.000 0.479 259 E N 0.223 120.580 120.200 0.261 0.000 2.077 259 E HA -0.228 4.122 4.350 0.000 0.000 0.193 259 E C 2.280 178.964 176.600 0.139 0.000 0.989 259 E CA 1.170 57.736 56.400 0.277 0.000 0.800 259 E CB -0.366 29.496 29.700 0.271 0.000 0.746 259 E HN 0.466 nan 8.360 nan 0.000 0.452 260 A N 0.795 123.644 122.820 0.049 0.000 1.865 260 A HA -0.198 4.122 4.320 0.000 0.000 0.217 260 A C 2.099 179.636 177.584 -0.078 0.000 1.191 260 A CA 1.436 53.465 52.037 -0.014 0.000 0.623 260 A CB -0.747 18.244 19.000 -0.014 0.000 0.826 260 A HN 0.323 nan 8.150 nan 0.000 0.444 261 L N -2.075 119.077 121.223 -0.119 0.000 2.046 261 L HA -0.151 4.189 4.340 0.000 0.000 0.208 261 L C 2.217 178.980 176.870 -0.179 0.000 1.077 261 L CA 1.664 56.405 54.840 -0.165 0.000 0.747 261 L CB -1.352 40.578 42.059 -0.214 0.000 0.896 261 L HN 0.809 nan 8.230 nan 0.000 0.432 262 W N 0.661 121.719 121.300 -0.402 0.000 2.388 262 W HA -0.144 4.516 4.660 0.000 0.000 0.294 262 W C 2.380 178.805 176.519 -0.157 0.000 1.212 262 W CA 1.326 58.468 57.345 -0.338 0.000 1.271 262 W CB -0.112 29.074 29.460 -0.456 0.000 1.126 262 W HN 0.004 nan 8.180 nan 0.000 0.535 263 K N 0.230 120.309 120.400 -0.535 0.000 2.026 263 K HA -0.253 4.068 4.320 0.000 0.000 0.208 263 K C 2.001 178.343 176.600 -0.429 0.000 1.048 263 K CA 1.996 57.881 56.287 -0.668 0.000 0.929 263 K CB -0.521 31.773 32.500 -0.343 0.000 0.713 263 K HN 0.267 nan 8.250 nan 0.000 0.439 264 E N 0.377 120.423 120.200 -0.256 0.000 2.051 264 E HA -0.170 4.180 4.350 0.000 0.000 0.192 264 E C 1.778 178.299 176.600 -0.130 0.000 0.991 264 E CA 1.786 58.091 56.400 -0.158 0.000 0.799 264 E CB 0.081 29.714 29.700 -0.112 0.000 0.748 264 E HN 0.170 nan 8.360 nan 0.000 0.449 265 T N 0.781 115.244 114.554 -0.151 0.000 2.720 265 T HA -0.197 4.153 4.350 0.000 0.000 0.268 265 T C 1.769 176.442 174.700 -0.045 0.000 1.037 265 T CA 1.593 63.650 62.100 -0.072 0.000 1.144 265 T CB -0.207 68.633 68.868 -0.046 0.000 0.864 265 T HN 0.175 nan 8.240 nan 0.000 0.444 266 K N 0.966 121.214 120.400 -0.253 0.000 2.097 266 K HA -0.013 4.308 4.320 0.000 0.000 0.206 266 K C 2.514 179.036 176.600 -0.131 0.000 1.049 266 K CA 1.126 57.266 56.287 -0.245 0.000 0.933 266 K CB -0.306 31.823 32.500 -0.617 0.000 0.717 266 K HN 0.278 nan 8.250 nan 0.000 0.442 267 A N 0.782 123.512 122.820 -0.149 0.000 1.908 267 A HA -0.189 4.131 4.320 0.000 0.000 0.218 267 A C 2.005 179.577 177.584 -0.020 0.000 1.181 267 A CA 1.477 53.458 52.037 -0.092 0.000 0.627 267 A CB -0.866 18.078 19.000 -0.092 0.000 0.818 267 A HN 0.526 nan 8.150 nan 0.000 0.445 268 F N 0.570 120.465 119.950 -0.091 0.000 2.134 268 F HA -0.149 4.379 4.527 0.000 0.000 0.299 268 F C 2.237 178.046 175.800 0.016 0.000 1.097 268 F CA 1.883 59.851 58.000 -0.053 0.000 1.264 268 F CB -0.168 38.801 39.000 -0.051 0.000 1.001 268 F HN 0.037 nan 8.300 nan 0.000 0.479 269 V N 0.370 120.427 119.914 0.240 0.000 2.295 269 V HA -0.300 3.820 4.120 0.000 0.000 0.246 269 V C 2.028 178.111 176.094 -0.018 0.000 1.049 269 V CA 2.284 64.704 62.300 0.201 0.000 1.024 269 V CB -0.666 31.287 31.823 0.216 0.000 0.648 269 V HN 0.288 nan 8.190 nan 0.000 0.447 270 D N -0.453 119.915 120.400 -0.054 0.000 2.183 270 D HA -0.112 4.528 4.640 0.000 0.000 0.203 270 D C 2.175 178.396 176.300 -0.131 0.000 0.969 270 D CA 1.104 55.046 54.000 -0.097 0.000 0.842 270 D CB 0.017 40.770 40.800 -0.078 0.000 0.957 270 D HN 0.550 nan 8.370 nan 0.000 0.484 271 E N -0.480 119.623 120.200 -0.160 0.000 2.276 271 E HA 0.015 4.365 4.350 0.000 0.000 0.193 271 E C 1.816 178.253 176.600 -0.272 0.000 0.983 271 E CA 0.122 56.411 56.400 -0.184 0.000 0.861 271 E CB 0.876 30.480 29.700 -0.160 0.000 0.817 271 E HN 0.032 nan 8.360 nan 0.000 0.485 272 V N -0.283 119.364 119.914 -0.446 0.000 2.840 272 V HA -0.078 4.042 4.120 0.000 0.000 0.234 272 V C 1.661 177.562 176.094 -0.321 0.000 1.159 272 V CA 0.456 62.380 62.300 -0.626 0.000 1.194 272 V CB -0.589 30.414 31.823 -1.367 0.000 0.971 272 V HN 0.200 nan 8.190 nan 0.000 0.494 273 Y N 1.601 121.630 120.300 -0.450 0.000 2.049 273 Y HA -0.225 4.325 4.550 0.000 0.000 0.277 273 Y C 2.283 178.019 175.900 -0.273 0.000 1.143 273 Y CA 1.748 59.737 58.100 -0.185 0.000 1.115 273 Y CB -0.733 37.738 38.460 0.017 0.000 0.975 273 Y HN 0.181 nan 8.280 nan 0.000 0.487 274 I N 0.629 120.997 120.570 -0.338 0.000 2.163 274 I HA -0.226 3.944 4.170 0.000 0.000 0.243 274 I C -0.699 175.271 176.117 -0.244 0.000 1.085 274 I CA 1.660 62.718 61.300 -0.404 0.000 1.347 274 I CB -1.905 35.896 38.000 -0.333 0.000 1.044 274 I HN 0.181 nan 8.210 nan 0.000 0.408 275 P HA -0.130 nan 4.420 nan 0.000 0.215 275 P C 1.181 178.448 177.300 -0.055 0.000 1.157 275 P CA 1.470 64.512 63.100 -0.097 0.000 0.868 275 P CB -0.002 31.653 31.700 -0.076 0.000 0.788 276 D N -0.882 119.514 120.400 -0.006 0.000 2.104 276 D HA -0.143 4.497 4.640 0.000 0.000 0.194 276 D C 1.983 178.278 176.300 -0.008 0.000 0.994 276 D CA 0.850 54.903 54.000 0.089 0.000 0.830 276 D CB -0.955 40.010 40.800 0.275 0.000 0.959 276 D HN 0.067 nan 8.370 nan 0.000 0.452 277 L N 0.081 121.176 121.223 -0.213 0.000 2.012 277 L HA -0.214 4.126 4.340 0.000 0.000 0.210 277 L C 2.054 178.815 176.870 -0.182 0.000 1.073 277 L CA 0.996 55.631 54.840 -0.341 0.000 0.748 277 L CB -0.117 41.617 42.059 -0.541 0.000 0.891 277 L HN 0.081 nan 8.230 nan 0.000 0.431 278 L N -0.918 120.211 121.223 -0.156 0.000 2.083 278 L HA -0.183 4.157 4.340 0.000 0.000 0.209 278 L C 2.400 179.234 176.870 -0.061 0.000 1.083 278 L CA 1.274 56.048 54.840 -0.110 0.000 0.752 278 L CB -1.045 40.953 42.059 -0.103 0.000 0.899 278 L HN 0.069 nan 8.230 nan 0.000 0.433 279 V N -1.354 118.540 119.914 -0.034 0.000 2.270 279 V HA -0.238 3.882 4.120 0.000 0.000 0.245 279 V C 2.468 178.571 176.094 0.014 0.000 1.043 279 V CA 1.440 63.739 62.300 -0.001 0.000 1.014 279 V CB -0.454 31.385 31.823 0.026 0.000 0.645 279 V HN 0.208 nan 8.190 nan 0.000 0.447 280 V N 0.506 120.436 119.914 0.026 0.000 2.332 280 V HA -0.264 3.856 4.120 0.000 0.000 0.248 280 V C 2.684 178.781 176.094 0.006 0.000 1.055 280 V CA 2.074 64.396 62.300 0.036 0.000 1.038 280 V CB -1.223 30.597 31.823 -0.005 0.000 0.651 280 V HN 0.557 nan 8.190 nan 0.000 0.450 281 A N -0.182 122.597 122.820 -0.068 0.000 1.930 281 A HA 0.013 4.333 4.320 0.000 0.000 0.217 281 A C 2.384 179.978 177.584 0.016 0.000 1.175 281 A CA 1.794 53.792 52.037 -0.066 0.000 0.627 281 A CB -0.597 18.341 19.000 -0.103 0.000 0.815 281 A HN 0.554 nan 8.150 nan 0.000 0.443 282 A N -0.186 122.636 122.820 0.004 0.000 1.929 282 A HA 0.277 4.597 4.320 0.000 0.000 0.216 282 A C 2.418 180.019 177.584 0.029 0.000 1.176 282 A CA 1.626 53.669 52.037 0.010 0.000 0.628 282 A CB -0.850 18.143 19.000 -0.011 0.000 0.816 282 A HN 0.993 nan 8.150 nan 0.000 0.444 283 A N -1.973 120.859 122.820 0.020 0.000 2.070 283 A HA 0.012 4.332 4.320 0.000 0.000 0.220 283 A C 1.189 178.740 177.584 -0.056 0.000 1.159 283 A CA 1.059 53.071 52.037 -0.042 0.000 0.656 283 A CB -0.496 18.448 19.000 -0.093 0.000 0.800 283 A HN 0.568 nan 8.150 nan 0.000 0.453 284 Y N -0.253 120.120 120.300 0.122 0.000 2.699 284 Y HA 0.182 4.732 4.550 0.000 0.000 0.282 284 Y C 1.434 177.470 175.900 0.225 0.000 1.058 284 Y CA -0.280 57.957 58.100 0.228 0.000 1.194 284 Y CB 0.225 38.700 38.460 0.025 0.000 1.193 284 Y HN 0.450 nan 8.280 nan 0.000 0.562 285 K N -0.691 119.851 120.400 0.238 0.000 2.519 285 K HA -0.154 4.166 4.320 0.000 0.000 0.196 285 K C 0.749 177.430 176.600 0.135 0.000 1.041 285 K CA 1.589 57.964 56.287 0.147 0.000 0.954 285 K CB -0.054 32.483 32.500 0.062 0.000 0.774 285 K HN 0.330 nan 8.250 nan 0.000 0.480 286 D N 0.306 120.834 120.400 0.213 0.000 2.317 286 D HA -0.169 4.471 4.640 0.000 0.000 0.211 286 D C 0.685 176.909 176.300 -0.127 0.000 0.966 286 D CA 0.338 54.378 54.000 0.067 0.000 0.876 286 D CB -0.423 40.469 40.800 0.153 0.000 0.927 286 D HN 0.396 nan 8.370 nan 0.000 0.519 287 W N 1.327 122.684 121.300 0.094 0.000 3.391 287 W HA 0.149 4.809 4.660 0.000 0.000 0.275 287 W C 1.451 177.924 176.519 -0.076 0.000 1.318 287 W CA 0.194 57.573 57.345 0.058 0.000 1.665 287 W CB 0.000 29.575 29.460 0.191 0.000 1.078 287 W HN -0.122 nan 8.180 nan 0.000 0.732 288 T N -0.102 114.415 114.554 -0.061 0.000 3.107 288 T HA -0.046 4.304 4.350 0.000 0.000 0.249 288 T C 1.737 176.318 174.700 -0.198 0.000 1.096 288 T CA 0.847 62.904 62.100 -0.071 0.000 1.012 288 T CB 0.118 68.956 68.868 -0.050 0.000 0.977 288 T HN 0.072 nan 8.240 nan 0.000 0.527 289 Q N 0.011 119.498 119.800 -0.520 0.000 2.319 289 Q HA 0.182 4.522 4.340 0.000 0.000 0.209 289 Q C -0.711 174.902 176.000 -0.645 0.000 0.884 289 Q CA 0.365 55.778 55.803 -0.650 0.000 0.938 289 Q CB 0.676 28.920 28.738 -0.824 0.000 1.098 289 Q HN 0.541 nan 8.270 nan 0.000 0.517 290 Y N -1.082 119.200 120.300 -0.030 0.000 2.570 290 Y HA 0.581 5.132 4.550 0.000 0.000 0.345 290 Y C 1.153 177.149 175.900 0.160 0.000 1.014 290 Y CA -1.134 56.978 58.100 0.020 0.000 1.063 290 Y CB 1.231 39.620 38.460 -0.118 0.000 1.272 290 Y HN 0.072 nan 8.280 nan 0.000 0.477 291 G N -0.124 108.873 108.800 0.329 0.000 2.137 291 G HA2 -0.101 3.859 3.960 0.000 0.000 0.237 291 G HA3 -0.101 3.859 3.960 0.000 0.000 0.237 291 G C 0.267 175.298 174.900 0.218 0.000 1.002 291 G CA -0.172 45.093 45.100 0.276 0.000 0.702 291 G HN 1.205 nan 8.290 nan 0.000 0.515 292 G N -0.287 108.641 108.800 0.212 0.000 2.444 292 G HA2 0.767 4.727 3.960 0.000 0.000 0.268 292 G HA3 0.767 4.727 3.960 0.000 0.000 0.268 292 G C 0.298 175.323 174.900 0.208 0.000 1.203 292 G CA 0.816 46.053 45.100 0.229 0.000 0.835 292 G HN 1.290 nan 8.290 nan 0.000 0.543 293 T N -1.382 113.308 114.554 0.226 0.000 2.888 293 T HA 0.519 4.869 4.350 0.000 0.000 0.288 293 T C -0.124 174.577 174.700 0.002 0.000 1.063 293 T CA -0.768 61.386 62.100 0.089 0.000 1.010 293 T CB 2.473 71.356 68.868 0.024 0.000 1.214 293 T HN 0.263 nan 8.240 nan 0.000 0.533 294 D N 0.155 120.479 120.400 -0.127 0.000 2.490 294 D HA 0.140 4.780 4.640 0.000 0.000 0.244 294 D C 0.059 176.259 176.300 -0.167 0.000 0.979 294 D CA 0.559 54.507 54.000 -0.087 0.000 0.924 294 D CB 0.210 41.001 40.800 -0.014 0.000 1.075 294 D HN 0.508 nan 8.370 nan 0.000 0.488 295 N N 0.299 118.762 118.700 -0.394 0.000 2.335 295 N HA 0.437 5.178 4.740 0.000 0.000 0.304 295 N C -0.902 174.157 175.510 -0.751 0.000 1.135 295 N CA -0.342 52.500 53.050 -0.346 0.000 0.817 295 N CB 1.910 40.354 38.487 -0.072 0.000 1.294 295 N HN -0.117 nan 8.380 nan 0.000 0.497 296 F N 0.035 119.871 119.950 -0.190 0.000 2.603 296 F HA 0.657 5.184 4.527 0.000 0.000 0.317 296 F C -0.123 175.456 175.800 -0.368 0.000 1.066 296 F CA -1.100 56.788 58.000 -0.187 0.000 0.941 296 F CB 1.409 40.380 39.000 -0.048 0.000 1.291 296 F HN 0.338 nan 8.300 nan 0.000 0.472 297 I N -1.106 119.335 120.570 -0.214 0.000 2.752 297 I HA 0.831 5.001 4.170 0.000 0.000 0.295 297 I C -0.851 175.028 176.117 -0.397 0.000 1.219 297 I CA -0.522 60.529 61.300 -0.415 0.000 1.030 297 I CB 2.118 39.712 38.000 -0.676 0.000 1.259 297 I HN 0.538 nan 8.210 nan 0.000 0.423 298 T N 3.550 117.900 114.554 -0.341 0.000 2.956 298 T HA 0.554 4.904 4.350 0.000 0.000 0.312 298 T C -0.551 174.077 174.700 -0.120 0.000 1.151 298 T CA -0.296 61.626 62.100 -0.297 0.000 1.024 298 T CB 0.849 69.611 68.868 -0.177 0.000 1.140 298 T HN 0.455 nan 8.240 nan 0.000 0.473 299 F N 2.415 122.140 119.950 -0.374 0.000 2.765 299 F HA 0.442 4.970 4.527 0.000 0.000 0.302 299 F C 1.840 177.518 175.800 -0.204 0.000 1.111 299 F CA 0.025 57.783 58.000 -0.402 0.000 1.359 299 F CB -0.840 37.961 39.000 -0.331 0.000 1.097 299 F HN 0.999 nan 8.300 nan 0.000 0.577 300 G N 1.138 109.983 108.800 0.075 0.000 2.825 300 G HA2 -0.043 3.917 3.960 0.000 0.000 0.684 300 G HA3 -0.043 3.917 3.960 0.000 0.000 0.684 300 G C -0.778 174.215 174.900 0.154 0.000 1.528 300 G CA -0.265 44.916 45.100 0.136 0.000 0.963 300 G HN 0.356 nan 8.290 nan 0.000 0.577 301 E N -1.019 119.333 120.200 0.253 0.000 2.447 301 E HA 0.704 5.054 4.350 0.000 0.000 0.279 301 E C -0.232 176.498 176.600 0.217 0.000 1.053 301 E CA -0.632 55.821 56.400 0.089 0.000 0.840 301 E CB 0.466 30.095 29.700 -0.119 0.000 1.409 301 E HN 1.631 nan 8.360 nan 0.000 0.461 302 F N -0.844 119.259 119.950 0.255 0.000 2.563 302 F HA -0.126 4.402 4.527 0.000 0.000 0.351 302 F C -2.163 173.753 175.800 0.192 0.000 1.086 302 F CA 0.680 58.820 58.000 0.233 0.000 1.174 302 F CB -1.323 37.864 39.000 0.312 0.000 1.590 302 F HN 0.211 nan 8.300 nan 0.000 0.808 303 P HA 0.276 nan 4.420 nan 0.000 0.283 303 P C 0.070 177.426 177.300 0.093 0.000 1.271 303 P CA -0.478 62.707 63.100 0.141 0.000 0.841 303 P CB 1.850 33.594 31.700 0.074 0.000 1.122 304 K N -0.492 119.954 120.400 0.076 0.000 2.313 304 K HA 0.099 4.419 4.320 0.000 0.000 0.197 304 K C 0.147 176.759 176.600 0.021 0.000 1.061 304 K CA 0.591 56.895 56.287 0.027 0.000 0.980 304 K CB 0.241 32.776 32.500 0.059 0.000 0.888 304 K HN 0.433 nan 8.250 nan 0.000 0.502 305 D N 0.886 121.320 120.400 0.058 0.000 2.440 305 D HA 0.064 4.704 4.640 0.000 0.000 0.239 305 D C 0.500 176.857 176.300 0.094 0.000 1.084 305 D CA -0.125 53.930 54.000 0.091 0.000 0.843 305 D CB 1.192 42.057 40.800 0.109 0.000 1.097 305 D HN -0.099 nan 8.370 nan 0.000 0.531 306 E N 2.544 122.798 120.200 0.091 0.000 2.267 306 E HA -0.200 4.150 4.350 0.000 0.000 0.197 306 E C 0.502 177.035 176.600 -0.111 0.000 0.998 306 E CA 1.032 57.421 56.400 -0.018 0.000 0.830 306 E CB 0.066 29.724 29.700 -0.070 0.000 0.751 306 E HN 0.665 nan 8.360 nan 0.000 0.491 307 Y N -0.157 120.149 120.300 0.009 0.000 2.449 307 Y HA 0.112 4.662 4.550 0.000 0.000 0.254 307 Y C 0.562 176.487 175.900 0.042 0.000 1.140 307 Y CA -0.221 57.891 58.100 0.020 0.000 1.272 307 Y CB 0.703 39.185 38.460 0.037 0.000 1.114 307 Y HN -0.178 nan 8.280 nan 0.000 0.525 308 D N 0.054 120.546 120.400 0.153 0.000 2.414 308 D HA 0.224 4.864 4.640 0.000 0.000 0.232 308 D C 0.713 177.052 176.300 0.064 0.000 1.070 308 D CA -0.070 53.993 54.000 0.105 0.000 0.839 308 D CB 1.132 41.992 40.800 0.100 0.000 1.079 308 D HN 0.111 nan 8.370 nan 0.000 0.521 309 L N 3.108 124.354 121.223 0.039 0.000 2.201 309 L HA -0.063 4.277 4.340 0.000 0.000 0.212 309 L C 1.321 178.212 176.870 0.034 0.000 1.105 309 L CA 0.776 55.624 54.840 0.014 0.000 0.775 309 L CB -0.198 41.834 42.059 -0.045 0.000 0.913 309 L HN 0.362 nan 8.230 nan 0.000 0.440 310 N N -0.891 117.832 118.700 0.038 0.000 2.449 310 N HA -0.077 4.663 4.740 0.000 0.000 0.191 310 N C 1.286 176.822 175.510 0.043 0.000 1.161 310 N CA 0.522 53.595 53.050 0.038 0.000 0.863 310 N CB 0.232 38.738 38.487 0.031 0.000 0.980 310 N HN 0.199 nan 8.380 nan 0.000 0.458 311 S N -0.659 115.076 115.700 0.058 0.000 2.572 311 S HA 0.261 4.731 4.470 0.000 0.000 0.228 311 S C 0.508 175.165 174.600 0.096 0.000 0.963 311 S CA -0.582 57.658 58.200 0.067 0.000 0.939 311 S CB 0.308 63.551 63.200 0.071 0.000 0.804 311 S HN 0.067 nan 8.310 nan 0.000 0.480 312 R N 0.043 120.606 120.500 0.106 0.000 2.500 312 R HA 0.439 4.779 4.340 0.000 0.000 0.277 312 R C 0.652 177.055 176.300 0.172 0.000 1.026 312 R CA -0.632 55.572 56.100 0.174 0.000 1.058 312 R CB 0.285 30.689 30.300 0.174 0.000 1.078 312 R HN 0.241 nan 8.270 nan 0.000 0.509 313 F N 1.534 121.515 119.950 0.051 0.000 2.120 313 F HA -0.073 4.455 4.527 0.000 0.000 0.300 313 F C -0.065 175.607 175.800 -0.213 0.000 1.095 313 F CA 1.411 59.274 58.000 -0.229 0.000 1.249 313 F CB 0.201 38.891 39.000 -0.518 0.000 0.995 313 F HN 0.267 nan 8.300 nan 0.000 0.480 314 F N 1.262 121.320 119.950 0.180 0.000 2.458 314 F HA 0.419 4.946 4.527 0.000 0.000 0.336 314 F C 0.072 175.907 175.800 0.057 0.000 1.114 314 F CA -1.105 56.936 58.000 0.068 0.000 0.987 314 F CB 1.217 40.294 39.000 0.129 0.000 1.130 314 F HN -0.365 nan 8.300 nan 0.000 0.458 315 K N 3.382 123.899 120.400 0.196 0.000 2.123 315 K HA 0.523 4.843 4.320 0.000 0.000 0.248 315 K C -2.579 174.063 176.600 0.069 0.000 0.969 315 K CA -1.824 54.526 56.287 0.104 0.000 0.882 315 K CB 1.115 33.648 32.500 0.054 0.000 1.080 315 K HN 0.234 nan 8.250 nan 0.000 0.441 316 P HA 0.145 nan 4.420 nan 0.000 0.271 316 P C -0.548 176.742 177.300 -0.017 0.000 1.244 316 P CA -0.146 62.944 63.100 -0.017 0.000 0.793 316 P CB 0.555 32.247 31.700 -0.013 0.000 0.984 317 G N -1.790 106.972 108.800 -0.064 0.000 2.340 317 G HA2 0.458 4.418 3.960 0.000 0.000 0.300 317 G HA3 0.458 4.418 3.960 0.000 0.000 0.300 317 G C -1.808 172.985 174.900 -0.178 0.000 1.488 317 G CA -0.206 44.849 45.100 -0.074 0.000 0.878 317 G HN 0.643 nan 8.290 nan 0.000 0.618 318 V N -1.508 118.269 119.914 -0.228 0.000 2.932 318 V HA 0.916 5.036 4.120 0.000 0.000 0.307 318 V C -1.222 174.588 176.094 -0.473 0.000 1.147 318 V CA -0.805 61.241 62.300 -0.424 0.000 0.951 318 V CB 1.681 33.129 31.823 -0.626 0.000 1.031 318 V HN 1.247 nan 8.190 nan 0.000 0.426 319 V N 5.013 124.591 119.914 -0.560 0.000 2.823 319 V HA 0.713 4.833 4.120 0.000 0.000 0.312 319 V C -1.056 174.716 176.094 -0.536 0.000 1.072 319 V CA -0.388 61.602 62.300 -0.518 0.000 0.937 319 V CB 2.010 33.415 31.823 -0.697 0.000 1.013 319 V HN 0.846 nan 8.190 nan 0.000 0.430 320 F N 3.364 123.282 119.950 -0.053 0.000 2.540 320 F HA 0.598 5.125 4.527 0.000 0.000 0.317 320 F C 0.549 176.350 175.800 0.002 0.000 1.104 320 F CA -1.211 56.787 58.000 -0.003 0.000 0.913 320 F CB 1.938 40.952 39.000 0.023 0.000 1.170 320 F HN 0.414 nan 8.300 nan 0.000 0.450 321 K N 2.918 123.440 120.400 0.203 0.000 3.077 321 K HA -0.289 4.032 4.320 0.000 0.000 0.264 321 K C 0.354 177.012 176.600 0.097 0.000 1.008 321 K CA 0.825 57.183 56.287 0.118 0.000 0.740 321 K CB -1.480 31.081 32.500 0.101 0.000 1.273 321 K HN 0.939 nan 8.250 nan 0.000 0.477 322 R N -1.208 119.385 120.500 0.155 0.000 3.847 322 R HA -0.207 4.133 4.340 0.000 0.000 0.304 322 R C -0.079 176.365 176.300 0.241 0.000 1.203 322 R CA 1.337 57.579 56.100 0.237 0.000 0.835 322 R CB -1.261 28.989 30.300 -0.083 0.000 1.253 322 R HN 0.418 nan 8.270 nan 0.000 0.516 323 D N 0.212 120.657 120.400 0.075 0.000 2.558 323 D HA 0.075 4.715 4.640 0.000 0.000 0.221 323 D C 0.349 176.651 176.300 0.002 0.000 1.143 323 D CA -0.320 53.733 54.000 0.087 0.000 1.010 323 D CB -0.188 40.657 40.800 0.075 0.000 1.068 323 D HN 0.120 nan 8.370 nan 0.000 0.511 324 F N 1.243 121.243 119.950 0.083 0.000 2.771 324 F HA 0.065 4.593 4.527 0.000 0.000 0.299 324 F C 2.063 177.900 175.800 0.062 0.000 1.177 324 F CA 0.516 58.556 58.000 0.067 0.000 1.450 324 F CB 0.144 39.186 39.000 0.070 0.000 1.114 324 F HN 0.215 nan 8.300 nan 0.000 0.587 325 K N -0.377 120.123 120.400 0.167 0.000 2.211 325 K HA 0.025 4.345 4.320 0.000 0.000 0.201 325 K C 0.151 176.796 176.600 0.075 0.000 1.052 325 K CA 0.630 56.988 56.287 0.118 0.000 0.973 325 K CB -0.032 32.529 32.500 0.102 0.000 0.766 325 K HN 0.087 nan 8.250 nan 0.000 0.466 326 N N 1.405 120.138 118.700 0.055 0.000 3.170 326 N HA 0.208 4.948 4.740 0.000 0.000 0.305 326 N C -0.930 174.590 175.510 0.017 0.000 1.499 326 N CA -0.077 53.001 53.050 0.046 0.000 1.110 326 N CB 0.241 38.767 38.487 0.065 0.000 1.390 326 N HN 0.043 nan 8.380 nan 0.000 0.508 327 I N 1.128 121.696 120.570 -0.002 0.000 2.581 327 I HA -0.043 4.127 4.170 0.000 0.000 0.285 327 I C 0.574 176.691 176.117 0.000 0.000 1.129 327 I CA 0.133 61.408 61.300 -0.042 0.000 1.397 327 I CB 0.276 38.264 38.000 -0.020 0.000 1.399 327 I HN 0.018 nan 8.210 nan 0.000 0.537 328 K N 8.514 128.913 120.400 -0.002 0.000 2.087 328 K HA 0.498 4.818 4.320 0.000 0.000 0.255 328 K C -2.269 174.368 176.600 0.062 0.000 0.988 328 K CA -1.742 54.586 56.287 0.069 0.000 0.915 328 K CB 0.625 33.227 32.500 0.170 0.000 1.043 328 K HN 0.295 nan 8.250 nan 0.000 0.457 329 P HA 0.145 nan 4.420 nan 0.000 0.281 329 P C -0.628 176.787 177.300 0.191 0.000 1.249 329 P CA -0.489 62.677 63.100 0.111 0.000 0.810 329 P CB 0.430 32.182 31.700 0.087 0.000 1.008 330 F N 2.659 122.607 119.950 -0.004 0.000 2.444 330 F HA 0.241 4.768 4.527 0.000 0.000 0.360 330 F C -0.077 175.775 175.800 0.087 0.000 1.106 330 F CA -0.732 57.275 58.000 0.011 0.000 1.170 330 F CB -0.191 38.722 39.000 -0.146 0.000 1.113 330 F HN 0.113 nan 8.300 nan 0.000 0.521 331 D N 6.135 126.477 120.400 -0.096 0.000 2.349 331 D HA 0.133 4.773 4.640 0.000 0.000 0.232 331 D C 0.752 176.782 176.300 -0.451 0.000 1.071 331 D CA -0.448 53.414 54.000 -0.231 0.000 0.832 331 D CB 1.173 41.975 40.800 0.003 0.000 1.086 331 D HN 0.730 nan 8.370 nan 0.000 0.504 332 K N 3.120 123.154 120.400 -0.610 0.000 2.504 332 K HA -0.043 4.277 4.320 0.000 0.000 0.195 332 K C 0.784 177.509 176.600 0.209 0.000 1.036 332 K CA 0.559 56.693 56.287 -0.255 0.000 0.984 332 K CB 0.062 32.567 32.500 0.009 0.000 0.788 332 K HN 0.311 nan 8.250 nan 0.000 0.488 333 M N 1.113 120.771 119.600 0.096 0.000 2.494 333 M HA 0.088 4.568 4.480 0.000 0.000 0.232 333 M C 0.897 177.254 176.300 0.094 0.000 1.137 333 M CA 0.648 56.005 55.300 0.095 0.000 1.012 333 M CB 0.417 33.006 32.600 -0.018 0.000 1.567 333 M HN 0.188 nan 8.290 nan 0.000 0.486 334 Q N 0.608 120.435 119.800 0.046 0.000 2.378 334 Q HA 0.292 4.632 4.340 0.000 0.000 0.216 334 Q C 0.944 176.955 176.000 0.018 0.000 0.892 334 Q CA 0.227 55.951 55.803 -0.132 0.000 0.931 334 Q CB 0.833 29.171 28.738 -0.668 0.000 1.086 334 Q HN 0.617 nan 8.270 nan 0.000 0.528 335 I N 0.797 121.518 120.570 0.252 0.000 2.471 335 I HA 0.266 4.436 4.170 0.000 0.000 0.286 335 I C -0.377 175.773 176.117 0.054 0.000 1.079 335 I CA -0.262 61.244 61.300 0.343 0.000 1.398 335 I CB 0.499 38.906 38.000 0.677 0.000 1.403 335 I HN -0.017 nan 8.210 nan 0.000 0.530 336 E N 4.656 124.890 120.200 0.056 0.000 2.321 336 E HA 0.469 4.819 4.350 0.000 0.000 0.278 336 E C -1.644 174.938 176.600 -0.030 0.000 0.902 336 E CA -0.907 55.461 56.400 -0.053 0.000 0.758 336 E CB 1.865 31.552 29.700 -0.021 0.000 1.213 336 E HN 0.708 nan 8.360 nan 0.000 0.426 337 E N 2.656 122.782 120.200 -0.123 0.000 2.216 337 E HA 0.300 4.650 4.350 0.000 0.000 0.279 337 E C -0.432 176.116 176.600 -0.087 0.000 0.997 337 E CA -0.669 55.681 56.400 -0.083 0.000 0.817 337 E CB 1.352 30.951 29.700 -0.168 0.000 1.096 337 E HN 0.433 nan 8.360 nan 0.000 0.393 338 H N 0.409 119.407 119.070 -0.120 0.000 2.559 338 H HA 0.303 4.859 4.556 0.000 0.000 0.343 338 H C 0.553 175.824 175.328 -0.097 0.000 1.209 338 H CA -0.620 55.373 56.048 -0.091 0.000 1.287 338 H CB 1.934 31.661 29.762 -0.060 0.000 1.650 338 H HN 0.401 nan 8.280 nan 0.000 0.567 339 V N -1.300 118.632 119.914 0.030 0.000 3.432 339 V HA 0.155 4.275 4.120 0.000 0.000 0.290 339 V C 1.786 177.856 176.094 -0.039 0.000 1.591 339 V CA -0.333 61.979 62.300 0.019 0.000 1.069 339 V CB 0.478 32.324 31.823 0.039 0.000 0.892 339 V HN 0.552 nan 8.190 nan 0.000 0.436 340 R N 1.309 121.755 120.500 -0.090 0.000 2.117 340 R HA -0.111 4.229 4.340 0.000 0.000 0.243 340 R C 1.327 177.349 176.300 -0.462 0.000 1.143 340 R CA 2.155 58.090 56.100 -0.275 0.000 0.968 340 R CB -0.360 29.736 30.300 -0.341 0.000 0.863 340 R HN 0.756 nan 8.270 nan 0.000 0.444 341 H N -1.204 117.773 119.070 -0.155 0.000 2.486 341 H HA 0.319 4.875 4.556 0.000 0.000 0.284 341 H C -0.145 174.835 175.328 -0.579 0.000 1.103 341 H CA -0.139 55.714 56.048 -0.325 0.000 1.089 341 H CB 0.663 30.232 29.762 -0.322 0.000 1.603 341 H HN -0.013 nan 8.280 nan 0.000 0.557 342 S N -0.219 115.284 115.700 -0.328 0.000 2.648 342 S HA 0.167 4.637 4.470 0.000 0.000 0.305 342 S C -0.049 174.319 174.600 -0.387 0.000 1.094 342 S CA -0.832 57.118 58.200 -0.416 0.000 0.983 342 S CB 1.570 64.778 63.200 0.014 0.000 1.101 342 S HN 0.299 nan 8.310 nan 0.000 0.514 343 W N 2.502 123.494 121.300 -0.513 0.000 1.435 343 W HA 0.326 4.986 4.660 0.000 0.000 0.471 343 W C -0.989 175.110 176.519 -0.699 0.000 0.590 343 W CA -0.662 56.243 57.345 -0.734 0.000 2.419 343 W CB -1.538 27.117 29.460 -1.340 0.000 1.251 343 W HN 0.523 nan 8.180 nan 0.000 0.338 344 Y N -0.581 119.745 120.300 0.042 0.000 2.545 344 Y HA 0.215 4.766 4.550 0.000 0.000 0.348 344 Y C 0.382 176.291 175.900 0.016 0.000 1.002 344 Y CA -1.798 56.337 58.100 0.059 0.000 1.039 344 Y CB 1.153 39.645 38.460 0.054 0.000 1.271 344 Y HN -0.107 nan 8.280 nan 0.000 0.467 345 E N 1.416 121.722 120.200 0.177 0.000 2.493 345 E HA 0.376 4.726 4.350 0.000 0.000 0.255 345 E C 0.574 177.209 176.600 0.058 0.000 0.999 345 E CA 1.708 58.161 56.400 0.088 0.000 0.934 345 E CB -0.058 29.688 29.700 0.076 0.000 0.940 345 E HN 0.847 nan 8.360 nan 0.000 0.473 346 G N 3.057 111.871 108.800 0.022 0.000 2.632 346 G HA2 -0.018 3.942 3.960 0.000 0.000 0.224 346 G HA3 -0.018 3.942 3.960 0.000 0.000 0.224 346 G C 0.107 174.992 174.900 -0.024 0.000 1.341 346 G CA -0.159 44.938 45.100 -0.004 0.000 0.880 346 G HN 1.150 nan 8.290 nan 0.000 0.566 347 A N -0.561 122.235 122.820 -0.040 0.000 2.543 347 A HA 0.641 4.961 4.320 0.000 0.000 0.279 347 A C 0.162 177.702 177.584 -0.072 0.000 0.917 347 A CA 1.236 53.237 52.037 -0.061 0.000 1.036 347 A CB 0.193 19.150 19.000 -0.071 0.000 1.227 347 A HN 1.064 nan 8.150 nan 0.000 0.503 348 E N 1.327 121.479 120.200 -0.079 0.000 2.167 348 E HA 0.612 4.962 4.350 0.000 0.000 0.284 348 E C 0.144 176.634 176.600 -0.183 0.000 1.016 348 E CA -0.398 55.936 56.400 -0.111 0.000 0.817 348 E CB 1.063 30.718 29.700 -0.074 0.000 1.080 348 E HN 0.430 nan 8.360 nan 0.000 0.397 349 A N 5.434 128.073 122.820 -0.301 0.000 2.401 349 A HA 0.401 4.721 4.320 0.000 0.000 0.259 349 A C -0.370 177.067 177.584 -0.244 0.000 1.103 349 A CA -0.438 51.329 52.037 -0.450 0.000 0.789 349 A CB 0.468 18.960 19.000 -0.848 0.000 1.035 349 A HN 0.610 nan 8.150 nan 0.000 0.491 350 R N 1.296 121.676 120.500 -0.201 0.000 2.686 350 R HA 0.286 4.626 4.340 0.000 0.000 0.283 350 R C -0.631 175.590 176.300 -0.131 0.000 0.978 350 R CA -0.674 55.350 56.100 -0.126 0.000 0.897 350 R CB 1.346 31.581 30.300 -0.109 0.000 1.192 350 R HN 0.953 nan 8.270 nan 0.000 0.457 351 H N 4.122 123.092 119.070 -0.166 0.000 2.683 351 H HA 0.119 4.675 4.556 0.000 0.000 0.339 351 H C -1.580 173.549 175.328 -0.332 0.000 1.081 351 H CA -1.427 54.482 56.048 -0.232 0.000 1.432 351 H CB 1.508 31.175 29.762 -0.157 0.000 1.462 351 H HN 0.144 nan 8.280 nan 0.000 0.557 352 P HA -0.219 nan 4.420 nan 0.000 0.218 352 P C 1.162 178.166 177.300 -0.494 0.000 1.150 352 P CA 1.361 63.850 63.100 -1.018 0.000 0.841 352 P CB -0.013 30.341 31.700 -2.244 0.000 0.784 353 W N -0.225 120.936 121.300 -0.233 0.000 2.595 353 W HA 0.058 4.718 4.660 0.000 0.000 0.257 353 W C 0.881 177.389 176.519 -0.018 0.000 1.267 353 W CA 1.025 58.363 57.345 -0.013 0.000 1.300 353 W CB -0.480 29.051 29.460 0.119 0.000 1.120 353 W HN 0.047 nan 8.180 nan 0.000 0.618 354 K N -0.673 119.835 120.400 0.180 0.000 3.045 354 K HA 0.330 4.650 4.320 0.000 0.000 0.211 354 K C 0.599 177.206 176.600 0.011 0.000 1.141 354 K CA -0.263 56.073 56.287 0.082 0.000 1.036 354 K CB 0.615 33.153 32.500 0.064 0.000 0.851 354 K HN -0.182 nan 8.250 nan 0.000 0.462 355 G N 1.407 110.196 108.800 -0.020 0.000 2.476 355 G HA2 0.282 4.242 3.960 0.000 0.000 0.286 355 G HA3 0.282 4.242 3.960 0.000 0.000 0.286 355 G C -0.710 174.173 174.900 -0.029 0.000 1.177 355 G CA -0.301 44.760 45.100 -0.065 0.000 0.870 355 G HN 0.272 nan 8.290 nan 0.000 0.528 356 Q N -0.721 119.051 119.800 -0.047 0.000 2.315 356 Q HA 0.544 4.884 4.340 0.000 0.000 0.273 356 Q C -1.562 174.418 176.000 -0.033 0.000 1.053 356 Q CA -0.880 54.915 55.803 -0.014 0.000 0.817 356 Q CB 1.993 30.731 28.738 -0.000 0.000 1.326 356 Q HN 0.264 nan 8.270 nan 0.000 0.423 357 T N 3.115 117.691 114.554 0.037 0.000 3.053 357 T HA 0.276 4.626 4.350 0.000 0.000 0.363 357 T C -0.829 174.005 174.700 0.223 0.000 1.239 357 T CA -0.428 61.730 62.100 0.097 0.000 1.071 357 T CB 0.409 69.388 68.868 0.184 0.000 1.089 357 T HN 0.493 nan 8.240 nan 0.000 0.527 358 Q N 3.012 122.979 119.800 0.278 0.000 2.571 358 Q HA 0.274 4.614 4.340 0.000 0.000 0.243 358 Q C -2.732 173.446 176.000 0.297 0.000 1.055 358 Q CA -2.150 53.798 55.803 0.242 0.000 0.815 358 Q CB 1.335 30.164 28.738 0.151 0.000 1.151 358 Q HN 0.286 nan 8.270 nan 0.000 0.519 359 P HA -0.080 nan 4.420 nan 0.000 0.262 359 P C -0.686 176.640 177.300 0.044 0.000 1.182 359 P CA 0.336 63.420 63.100 -0.027 0.000 0.761 359 P CB 0.419 31.954 31.700 -0.274 0.000 0.795 360 K N 3.976 124.402 120.400 0.043 0.000 2.832 360 K HA 0.152 4.472 4.320 0.000 0.000 0.243 360 K C -1.592 174.994 176.600 -0.023 0.000 1.117 360 K CA -0.654 55.650 56.287 0.029 0.000 1.068 360 K CB 0.320 32.834 32.500 0.024 0.000 1.286 360 K HN 0.291 nan 8.250 nan 0.000 0.553 361 Y N 3.800 123.987 120.300 -0.188 0.000 2.531 361 Y HA 0.046 4.596 4.550 0.000 0.000 0.347 361 Y C 0.765 176.386 175.900 -0.465 0.000 1.024 361 Y CA 0.663 58.458 58.100 -0.509 0.000 1.306 361 Y CB 0.439 38.644 38.460 -0.424 0.000 1.149 361 Y HN 0.604 nan 8.280 nan 0.000 0.527 362 T N 1.765 115.772 114.554 -0.911 0.000 3.070 362 T HA 0.321 4.672 4.350 0.000 0.000 0.295 362 T C -0.229 173.666 174.700 -1.343 0.000 1.221 362 T CA -0.378 61.328 62.100 -0.657 0.000 0.926 362 T CB 0.869 69.579 68.868 -0.263 0.000 2.158 362 T HN 0.572 nan 8.240 nan 0.000 0.573 363 D N -1.053 118.889 120.400 -0.763 0.000 2.727 363 D HA 0.285 4.925 4.640 0.000 0.000 0.264 363 D C -0.469 175.709 176.300 -0.203 0.000 1.101 363 D CA -0.729 52.815 54.000 -0.761 0.000 1.122 363 D CB 1.636 42.233 40.800 -0.339 0.000 1.390 363 D HN 0.282 nan 8.370 nan 0.000 0.606 364 L N 2.555 123.781 121.223 0.005 0.000 2.745 364 L HA -0.047 4.293 4.340 0.000 0.000 0.273 364 L C 0.586 177.578 176.870 0.203 0.000 1.156 364 L CA 1.449 56.409 54.840 0.201 0.000 0.982 364 L CB -1.648 40.561 42.059 0.251 0.000 1.295 364 L HN 0.614 nan 8.230 nan 0.000 0.483 365 H N -0.060 119.070 119.070 0.100 0.000 3.237 365 H HA -0.143 4.413 4.556 0.000 0.000 0.231 365 H C 1.052 176.392 175.328 0.020 0.000 1.148 365 H CA 0.680 56.743 56.048 0.024 0.000 1.155 365 H CB -1.252 28.458 29.762 -0.087 0.000 1.210 365 H HN 0.697 nan 8.280 nan 0.000 0.317 366 G N 1.192 110.036 108.800 0.073 0.000 2.356 366 G HA2 0.294 4.254 3.960 0.000 0.000 0.273 366 G HA3 0.294 4.254 3.960 0.000 0.000 0.273 366 G C 0.397 175.305 174.900 0.013 0.000 1.213 366 G CA 0.806 45.908 45.100 0.003 0.000 0.955 366 G HN 0.403 nan 8.290 nan 0.000 0.454 367 D N 1.794 122.204 120.400 0.018 0.000 3.041 367 D HA -0.213 4.427 4.640 0.000 0.000 0.220 367 D C 0.724 177.049 176.300 0.042 0.000 1.157 367 D CA 1.617 55.626 54.000 0.015 0.000 0.876 367 D CB -1.018 39.774 40.800 -0.013 0.000 1.107 367 D HN 0.693 nan 8.370 nan 0.000 0.422 368 D N -1.191 119.263 120.400 0.090 0.000 2.907 368 D HA -0.229 4.411 4.640 0.000 0.000 0.226 368 D C -0.695 175.710 176.300 0.174 0.000 1.141 368 D CA 1.138 55.243 54.000 0.175 0.000 0.779 368 D CB -0.835 40.105 40.800 0.232 0.000 1.095 368 D HN 0.696 nan 8.370 nan 0.000 0.430 369 R N 0.174 120.681 120.500 0.012 0.000 2.562 369 R HA 0.538 4.878 4.340 0.000 0.000 0.298 369 R C 0.207 176.265 176.300 -0.403 0.000 0.961 369 R CA -0.747 55.206 56.100 -0.245 0.000 0.881 369 R CB 1.163 31.325 30.300 -0.230 0.000 1.159 369 R HN 0.250 nan 8.270 nan 0.000 0.450 370 Y N -1.678 118.145 120.300 -0.794 0.000 2.809 370 Y HA 0.502 5.052 4.550 0.000 0.000 0.251 370 Y C -0.528 174.659 175.900 -1.189 0.000 1.136 370 Y CA -0.738 56.817 58.100 -0.908 0.000 1.185 370 Y CB 0.712 38.689 38.460 -0.804 0.000 1.260 370 Y HN 0.422 nan 8.280 nan 0.000 0.576 371 S N -0.787 113.810 115.700 -1.837 0.000 2.552 371 S HA 0.274 4.744 4.470 0.000 0.000 0.272 371 S C -1.447 172.584 174.600 -0.949 0.000 1.150 371 S CA -0.642 56.856 58.200 -1.170 0.000 0.849 371 S CB 0.205 63.108 63.200 -0.495 0.000 1.113 371 S HN 0.413 nan 8.310 nan 0.000 0.458 372 W N 2.440 123.618 121.300 -0.204 0.000 3.345 372 W HA 0.391 5.051 4.660 0.000 0.000 0.282 372 W C 0.717 177.367 176.519 0.218 0.000 1.302 372 W CA -0.416 56.997 57.345 0.113 0.000 1.724 372 W CB 0.314 29.987 29.460 0.355 0.000 1.104 372 W HN 0.244 nan 8.180 nan 0.000 0.694 373 M N 0.725 120.468 119.600 0.239 0.000 2.363 373 M HA 0.255 4.735 4.480 0.000 0.000 0.343 373 M C 0.252 176.613 176.300 0.101 0.000 1.165 373 M CA -0.451 54.949 55.300 0.166 0.000 1.046 373 M CB 1.727 34.363 32.600 0.061 0.000 1.648 373 M HN -0.267 nan 8.290 nan 0.000 0.452 374 K N 1.071 121.497 120.400 0.043 0.000 2.120 374 K HA 0.538 4.858 4.320 0.000 0.000 0.245 374 K C -0.303 176.254 176.600 -0.071 0.000 1.024 374 K CA -0.340 55.920 56.287 -0.045 0.000 0.906 374 K CB 0.767 33.182 32.500 -0.142 0.000 1.051 374 K HN 0.726 nan 8.250 nan 0.000 0.491 375 A N 2.978 125.761 122.820 -0.062 0.000 2.644 375 A HA 0.313 4.633 4.320 0.000 0.000 0.343 375 A C -2.413 175.096 177.584 -0.124 0.000 1.324 375 A CA -1.630 50.351 52.037 -0.094 0.000 0.846 375 A CB -0.014 18.940 19.000 -0.077 0.000 1.128 375 A HN 0.368 nan 8.150 nan 0.000 0.484 376 P HA 0.233 nan 4.420 nan 0.000 0.276 376 P C -0.771 176.315 177.300 -0.356 0.000 1.253 376 P CA 0.035 62.831 63.100 -0.507 0.000 0.766 376 P CB 0.910 31.910 31.700 -1.167 0.000 0.845 377 R N 2.860 123.360 120.500 0.000 0.000 2.711 377 R HA 0.272 4.612 4.340 0.000 0.000 0.284 377 R C 0.511 177.096 176.300 0.476 0.000 0.968 377 R CA -0.847 55.401 56.100 0.247 0.000 0.924 377 R CB 0.905 31.284 30.300 0.132 0.000 1.162 377 R HN 0.454 nan 8.270 nan 0.000 0.465 378 Y N 1.795 122.395 120.300 0.500 0.000 2.256 378 Y HA 0.167 4.717 4.550 0.000 0.000 0.267 378 Y C 1.041 177.151 175.900 0.351 0.000 1.069 378 Y CA 1.455 59.851 58.100 0.493 0.000 1.070 378 Y CB 0.335 39.075 38.460 0.468 0.000 1.020 378 Y HN 0.394 nan 8.280 nan 0.000 0.476 379 M N 0.496 120.244 119.600 0.247 0.000 3.170 379 M HA 0.242 4.722 4.480 0.000 0.000 0.263 379 M C 0.526 176.889 176.300 0.106 0.000 1.153 379 M CA 0.351 55.678 55.300 0.044 0.000 0.949 379 M CB 0.460 33.078 32.600 0.030 0.000 1.291 379 M HN 0.688 nan 8.290 nan 0.000 0.550 380 G N -0.074 108.820 108.800 0.157 0.000 2.148 380 G HA2 -0.179 3.781 3.960 0.000 0.000 0.254 380 G HA3 -0.179 3.781 3.960 0.000 0.000 0.254 380 G C -0.232 174.748 174.900 0.133 0.000 0.981 380 G CA -0.038 45.141 45.100 0.132 0.000 0.670 380 G HN 0.491 nan 8.290 nan 0.000 0.528 381 E N 0.274 120.618 120.200 0.240 0.000 2.207 381 E HA 0.507 4.857 4.350 0.000 0.000 0.270 381 E C -2.716 174.052 176.600 0.280 0.000 0.927 381 E CA -2.073 54.473 56.400 0.244 0.000 0.799 381 E CB 2.059 31.962 29.700 0.337 0.000 1.172 381 E HN 0.112 nan 8.360 nan 0.000 0.404 382 P HA 0.281 nan 4.420 nan 0.000 0.284 382 P C -0.528 176.883 177.300 0.185 0.000 1.253 382 P CA -0.230 62.982 63.100 0.188 0.000 0.800 382 P CB 0.620 32.373 31.700 0.088 0.000 0.961 383 M N 1.460 121.215 119.600 0.258 0.000 2.393 383 M HA 0.365 4.846 4.480 0.000 0.000 0.316 383 M C 0.107 176.416 176.300 0.015 0.000 1.087 383 M CA -0.703 54.629 55.300 0.054 0.000 0.937 383 M CB 2.023 34.564 32.600 -0.098 0.000 1.668 383 M HN 0.387 nan 8.290 nan 0.000 0.438 384 E N 1.287 121.407 120.200 -0.133 0.000 2.313 384 E HA 0.492 4.842 4.350 0.000 0.000 0.272 384 E C -1.076 175.522 176.600 -0.004 0.000 1.038 384 E CA -0.069 56.326 56.400 -0.008 0.000 0.863 384 E CB 1.390 31.078 29.700 -0.020 0.000 1.060 384 E HN 0.686 nan 8.360 nan 0.000 0.402 385 T N 1.896 116.477 114.554 0.045 0.000 2.864 385 T HA 0.722 5.073 4.350 0.000 0.000 0.299 385 T C -0.445 174.270 174.700 0.024 0.000 1.166 385 T CA 0.423 62.484 62.100 -0.066 0.000 1.007 385 T CB 1.328 70.007 68.868 -0.317 0.000 1.219 385 T HN 0.971 nan 8.240 nan 0.000 0.506 386 G N 2.695 111.475 108.800 -0.033 0.000 2.362 386 G HA2 -0.005 3.955 3.960 0.000 0.000 0.517 386 G HA3 -0.005 3.955 3.960 0.000 0.000 0.517 386 G C -2.423 172.488 174.900 0.019 0.000 1.256 386 G CA -0.125 44.985 45.100 0.015 0.000 1.027 386 G HN 0.628 nan 8.290 nan 0.000 0.491 387 P HA -0.144 nan 4.420 nan 0.000 0.219 387 P C 2.295 179.561 177.300 -0.056 0.000 1.161 387 P CA 1.803 64.907 63.100 0.007 0.000 0.909 387 P CB 0.023 31.718 31.700 -0.007 0.000 0.793 388 L N -1.547 119.656 121.223 -0.034 0.000 2.042 388 L HA -0.219 4.121 4.340 0.000 0.000 0.210 388 L C 2.234 179.052 176.870 -0.086 0.000 1.076 388 L CA 1.996 56.794 54.840 -0.070 0.000 0.749 388 L CB -0.896 41.180 42.059 0.028 0.000 0.893 388 L HN -0.021 nan 8.230 nan 0.000 0.432 389 A N -0.827 122.018 122.820 0.041 0.000 1.898 389 A HA -0.289 4.031 4.320 0.000 0.000 0.216 389 A C 2.152 179.700 177.584 -0.060 0.000 1.181 389 A CA 1.731 53.794 52.037 0.043 0.000 0.620 389 A CB -0.555 18.521 19.000 0.128 0.000 0.819 389 A HN 0.566 nan 8.150 nan 0.000 0.442 390 Q N -0.400 119.335 119.800 -0.108 0.000 2.167 390 Q HA -0.097 4.243 4.340 0.000 0.000 0.202 390 Q C 1.799 177.671 176.000 -0.213 0.000 0.970 390 Q CA 1.780 57.466 55.803 -0.195 0.000 0.855 390 Q CB -0.135 28.427 28.738 -0.293 0.000 0.911 390 Q HN 0.386 nan 8.270 nan 0.000 0.438 391 V N 0.537 120.338 119.914 -0.187 0.000 2.346 391 V HA -0.209 3.911 4.120 0.000 0.000 0.244 391 V C 2.246 178.263 176.094 -0.128 0.000 1.037 391 V CA 1.291 63.493 62.300 -0.164 0.000 1.029 391 V CB -0.406 31.310 31.823 -0.177 0.000 0.663 391 V HN 0.396 nan 8.190 nan 0.000 0.454 392 L N -0.595 120.501 121.223 -0.211 0.000 2.046 392 L HA -0.167 4.173 4.340 0.000 0.000 0.208 392 L C 2.499 179.391 176.870 0.038 0.000 1.077 392 L CA 1.254 55.923 54.840 -0.286 0.000 0.747 392 L CB -0.546 41.142 42.059 -0.619 0.000 0.896 392 L HN 0.257 nan 8.230 nan 0.000 0.432 393 I N 0.480 121.129 120.570 0.132 0.000 2.142 393 I HA -0.270 3.900 4.170 0.000 0.000 0.240 393 I C 2.881 179.077 176.117 0.131 0.000 1.078 393 I CA 1.785 63.189 61.300 0.173 0.000 1.343 393 I CB -1.414 36.620 38.000 0.057 0.000 1.046 393 I HN 0.185 nan 8.210 nan 0.000 0.405 394 A N -0.208 122.665 122.820 0.088 0.000 1.940 394 A HA -0.290 4.030 4.320 0.000 0.000 0.219 394 A C 2.371 180.023 177.584 0.113 0.000 1.176 394 A CA 1.634 53.739 52.037 0.113 0.000 0.631 394 A CB -1.146 17.925 19.000 0.119 0.000 0.814 394 A HN 0.499 nan 8.150 nan 0.000 0.446 395 Y N 1.350 121.631 120.300 -0.031 0.000 2.114 395 Y HA -0.207 4.344 4.550 0.000 0.000 0.284 395 Y C 2.723 178.615 175.900 -0.012 0.000 1.143 395 Y CA 2.029 60.100 58.100 -0.048 0.000 1.135 395 Y CB -0.383 38.001 38.460 -0.127 0.000 0.980 395 Y HN 0.308 nan 8.280 nan 0.000 0.499 396 S N 0.022 115.875 115.700 0.255 0.000 2.419 396 S HA -0.219 4.251 4.470 0.000 0.000 0.233 396 S C 1.535 176.186 174.600 0.084 0.000 1.016 396 S CA 1.437 59.757 58.200 0.201 0.000 0.974 396 S CB -0.324 63.068 63.200 0.320 0.000 0.786 396 S HN 0.590 nan 8.310 nan 0.000 0.492 397 Q N 0.165 120.004 119.800 0.065 0.000 2.415 397 Q HA 0.238 4.578 4.340 0.000 0.000 0.206 397 Q C 1.173 177.157 176.000 -0.027 0.000 0.946 397 Q CA 0.246 56.064 55.803 0.026 0.000 0.951 397 Q CB 0.061 28.822 28.738 0.038 0.000 1.026 397 Q HN 0.603 nan 8.270 nan 0.000 0.510 398 G N 1.391 110.145 108.800 -0.076 0.000 2.160 398 G HA2 -0.347 3.613 3.960 0.000 0.000 0.251 398 G HA3 -0.347 3.613 3.960 0.000 0.000 0.251 398 G C -0.265 174.569 174.900 -0.111 0.000 1.008 398 G CA 0.296 45.314 45.100 -0.137 0.000 0.724 398 G HN 0.658 nan 8.290 nan 0.000 0.514 399 H N 0.840 119.797 119.070 -0.188 0.000 3.107 399 H HA 0.287 4.843 4.556 0.000 0.000 0.301 399 H C -0.439 174.767 175.328 -0.204 0.000 0.981 399 H CA -0.434 55.486 56.048 -0.213 0.000 1.443 399 H CB 0.929 30.565 29.762 -0.209 0.000 1.479 399 H HN 0.162 nan 8.280 nan 0.000 0.564 400 P HA -0.243 nan 4.420 nan 0.000 0.213 400 P C 1.153 178.505 177.300 0.086 0.000 1.170 400 P CA 1.402 64.495 63.100 -0.012 0.000 0.902 400 P CB 0.320 31.977 31.700 -0.072 0.000 0.789 401 K N -0.397 120.133 120.400 0.217 0.000 2.002 401 K HA -0.062 4.258 4.320 0.000 0.000 0.209 401 K C 2.169 178.811 176.600 0.070 0.000 1.048 401 K CA 1.044 57.425 56.287 0.156 0.000 0.930 401 K CB -1.761 30.879 32.500 0.233 0.000 0.714 401 K HN 0.065 nan 8.250 nan 0.000 0.438 402 V N 2.037 121.930 119.914 -0.034 0.000 2.231 402 V HA -0.307 3.813 4.120 0.000 0.000 0.248 402 V C 2.664 178.790 176.094 0.055 0.000 1.054 402 V CA 2.309 64.573 62.300 -0.061 0.000 1.015 402 V CB -0.516 31.199 31.823 -0.180 0.000 0.638 402 V HN 0.386 nan 8.190 nan 0.000 0.444 403 K N -0.007 120.398 120.400 0.009 0.000 2.074 403 K HA -0.242 4.078 4.320 0.000 0.000 0.209 403 K C 2.146 178.773 176.600 0.045 0.000 1.048 403 K CA 1.774 58.025 56.287 -0.059 0.000 0.926 403 K CB -0.493 31.783 32.500 -0.373 0.000 0.713 403 K HN 0.445 nan 8.250 nan 0.000 0.444 404 A N 0.529 123.359 122.820 0.015 0.000 1.859 404 A HA -0.191 4.129 4.320 0.000 0.000 0.217 404 A C 2.303 179.902 177.584 0.025 0.000 1.198 404 A CA 2.183 54.232 52.037 0.019 0.000 0.629 404 A CB -1.179 17.834 19.000 0.021 0.000 0.830 404 A HN 0.332 nan 8.150 nan 0.000 0.446 405 V N -0.035 119.893 119.914 0.024 0.000 2.548 405 V HA -0.125 3.995 4.120 0.000 0.000 0.249 405 V C 2.527 178.612 176.094 -0.015 0.000 1.055 405 V CA 3.048 65.347 62.300 -0.002 0.000 1.065 405 V CB -1.005 30.811 31.823 -0.012 0.000 0.681 405 V HN 0.803 nan 8.190 nan 0.000 0.462 406 T N -2.453 112.111 114.554 0.016 0.000 2.904 406 T HA -0.162 4.188 4.350 0.000 0.000 0.267 406 T C 1.666 176.346 174.700 -0.034 0.000 1.059 406 T CA 1.552 63.629 62.100 -0.038 0.000 1.137 406 T CB -0.550 68.266 68.868 -0.086 0.000 0.879 406 T HN 0.532 nan 8.240 nan 0.000 0.467 407 D N 1.484 121.915 120.400 0.052 0.000 2.117 407 D HA 0.107 4.747 4.640 0.000 0.000 0.198 407 D C 2.492 178.784 176.300 -0.014 0.000 0.982 407 D CA 1.386 55.407 54.000 0.034 0.000 0.828 407 D CB -0.590 40.257 40.800 0.077 0.000 0.967 407 D HN 0.578 nan 8.370 nan 0.000 0.464 408 A N 0.554 123.364 122.820 -0.016 0.000 1.902 408 A HA -0.137 4.183 4.320 0.000 0.000 0.217 408 A C 2.529 180.080 177.584 -0.055 0.000 1.181 408 A CA 1.182 53.199 52.037 -0.033 0.000 0.623 408 A CB -0.720 18.260 19.000 -0.032 0.000 0.818 408 A HN 0.145 nan 8.150 nan 0.000 0.443 409 V N -0.502 119.368 119.914 -0.073 0.000 2.307 409 V HA -0.199 3.921 4.120 0.000 0.000 0.245 409 V C 2.464 178.500 176.094 -0.096 0.000 1.045 409 V CA 1.828 64.069 62.300 -0.098 0.000 1.024 409 V CB -0.655 31.093 31.823 -0.126 0.000 0.651 409 V HN 0.490 nan 8.190 nan 0.000 0.449 410 L N 0.244 121.407 121.223 -0.100 0.000 2.191 410 L HA -0.107 4.233 4.340 0.000 0.000 0.212 410 L C 2.488 179.315 176.870 -0.072 0.000 1.103 410 L CA 2.007 56.787 54.840 -0.100 0.000 0.769 410 L CB -1.123 40.865 42.059 -0.119 0.000 0.908 410 L HN 0.297 nan 8.230 nan 0.000 0.438 411 A N -1.045 121.740 122.820 -0.058 0.000 1.841 411 A HA -0.194 4.126 4.320 0.000 0.000 0.214 411 A C 2.391 179.948 177.584 -0.046 0.000 1.195 411 A CA 1.445 53.456 52.037 -0.044 0.000 0.611 411 A CB -0.460 18.519 19.000 -0.036 0.000 0.835 411 A HN 0.169 nan 8.150 nan 0.000 0.443 412 K N -0.112 120.257 120.400 -0.052 0.000 2.074 412 K HA -0.093 4.227 4.320 0.000 0.000 0.209 412 K C 1.786 178.357 176.600 -0.049 0.000 1.048 412 K CA 1.513 57.770 56.287 -0.051 0.000 0.926 412 K CB -0.572 31.892 32.500 -0.061 0.000 0.713 412 K HN 0.578 nan 8.250 nan 0.000 0.444 413 L N -0.794 120.395 121.223 -0.057 0.000 2.418 413 L HA 0.059 4.399 4.340 0.000 0.000 0.218 413 L C 1.157 178.001 176.870 -0.043 0.000 1.125 413 L CA 0.545 55.354 54.840 -0.052 0.000 0.835 413 L CB -0.365 41.656 42.059 -0.063 0.000 0.953 413 L HN 0.324 nan 8.230 nan 0.000 0.454 414 G N 1.499 110.273 108.800 -0.044 0.000 2.273 414 G HA2 -0.222 3.738 3.960 0.000 0.000 0.280 414 G HA3 -0.222 3.738 3.960 0.000 0.000 0.280 414 G C 0.052 174.928 174.900 -0.039 0.000 1.047 414 G CA 0.391 45.468 45.100 -0.037 0.000 0.869 414 G HN 0.320 nan 8.290 nan 0.000 0.502 415 V N -2.316 117.567 119.914 -0.051 0.000 2.769 415 V HA 1.004 5.124 4.120 0.000 0.000 0.312 415 V C 0.854 176.908 176.094 -0.068 0.000 1.061 415 V CA -0.198 62.068 62.300 -0.056 0.000 0.931 415 V CB 1.801 33.586 31.823 -0.063 0.000 1.010 415 V HN 1.234 nan 8.190 nan 0.000 0.433 416 G N 2.332 111.096 108.800 -0.060 0.000 2.616 416 G HA2 0.498 4.458 3.960 0.000 0.000 0.268 416 G HA3 0.498 4.458 3.960 0.000 0.000 0.268 416 G C -1.769 173.067 174.900 -0.107 0.000 1.213 416 G CA -0.994 44.066 45.100 -0.066 0.000 0.926 416 G HN 0.666 nan 8.290 nan 0.000 0.523 417 P HA -0.047 nan 4.420 nan 0.000 0.218 417 P C 1.359 178.536 177.300 -0.205 0.000 1.149 417 P CA 1.158 64.122 63.100 -0.227 0.000 0.817 417 P CB 0.208 31.778 31.700 -0.216 0.000 0.785 418 E N 0.542 120.709 120.200 -0.054 0.000 2.097 418 E HA -0.199 4.151 4.350 0.000 0.000 0.196 418 E C 2.055 178.683 176.600 0.046 0.000 1.000 418 E CA 1.576 58.030 56.400 0.090 0.000 0.804 418 E CB -1.613 28.137 29.700 0.083 0.000 0.740 418 E HN 0.172 nan 8.360 nan 0.000 0.454 419 A N 0.763 123.552 122.820 -0.052 0.000 2.194 419 A HA -0.157 4.163 4.320 0.000 0.000 0.220 419 A C 2.029 179.533 177.584 -0.135 0.000 1.162 419 A CA 1.085 53.081 52.037 -0.069 0.000 0.674 419 A CB -0.753 18.198 19.000 -0.082 0.000 0.789 419 A HN 0.257 nan 8.150 nan 0.000 0.470 420 L N -1.960 119.079 121.223 -0.308 0.000 2.291 420 L HA -0.005 4.335 4.340 0.000 0.000 0.214 420 L C 0.168 176.776 176.870 -0.435 0.000 1.120 420 L CA 0.123 54.687 54.840 -0.460 0.000 0.799 420 L CB -0.232 41.410 42.059 -0.695 0.000 0.925 420 L HN 0.365 nan 8.230 nan 0.000 0.446 421 F N 0.774 120.694 119.950 -0.051 0.000 2.626 421 F HA 0.219 4.746 4.527 0.000 0.000 0.353 421 F C 0.754 176.584 175.800 0.050 0.000 1.230 421 F CA -0.347 57.681 58.000 0.046 0.000 1.298 421 F CB -0.507 38.553 39.000 0.100 0.000 1.670 421 F HN -0.024 nan 8.300 nan 0.000 0.633 422 S N -1.909 113.871 115.700 0.133 0.000 2.636 422 S HA 0.271 4.741 4.470 0.000 0.000 0.266 422 S C 0.498 175.159 174.600 0.101 0.000 1.147 422 S CA -0.745 57.530 58.200 0.125 0.000 0.815 422 S CB 1.164 64.414 63.200 0.084 0.000 1.119 422 S HN 0.038 nan 8.310 nan 0.000 0.470 423 T N 1.212 115.881 114.554 0.192 0.000 2.833 423 T HA 0.021 4.371 4.350 0.000 0.000 0.269 423 T C 1.639 176.446 174.700 0.177 0.000 1.054 423 T CA 1.245 63.468 62.100 0.207 0.000 1.135 423 T CB -0.500 68.630 68.868 0.437 0.000 0.869 423 T HN 0.444 nan 8.240 nan 0.000 0.466 424 L N 0.503 121.832 121.223 0.178 0.000 1.973 424 L HA -0.014 4.326 4.340 0.000 0.000 0.208 424 L C 2.928 179.798 176.870 -0.000 0.000 1.073 424 L CA 1.713 56.605 54.840 0.087 0.000 0.746 424 L CB -1.147 40.964 42.059 0.087 0.000 0.891 424 L HN 0.370 nan 8.230 nan 0.000 0.433 425 G N -0.449 108.331 108.800 -0.033 0.000 2.553 425 G HA2 -0.375 3.585 3.960 0.000 0.000 0.218 425 G HA3 -0.375 3.585 3.960 0.000 0.000 0.218 425 G C 1.633 176.468 174.900 -0.108 0.000 1.195 425 G CA 1.115 46.145 45.100 -0.116 0.000 0.779 425 G HN 0.332 nan 8.290 nan 0.000 0.577 426 R N -0.225 120.229 120.500 -0.076 0.000 2.154 426 R HA -0.136 4.204 4.340 0.000 0.000 0.248 426 R C 2.533 178.809 176.300 -0.040 0.000 1.155 426 R CA 2.094 58.146 56.100 -0.080 0.000 0.979 426 R CB -0.494 29.727 30.300 -0.132 0.000 0.869 426 R HN 0.405 nan 8.270 nan 0.000 0.452 427 T N 0.029 114.595 114.554 0.020 0.000 2.896 427 T HA 0.030 4.380 4.350 0.000 0.000 0.263 427 T C 1.766 176.456 174.700 -0.017 0.000 1.050 427 T CA 0.988 63.142 62.100 0.089 0.000 1.140 427 T CB -0.149 68.804 68.868 0.141 0.000 0.877 427 T HN 0.451 nan 8.240 nan 0.000 0.457 428 A N 1.936 124.705 122.820 -0.085 0.000 1.845 428 A HA 0.147 4.467 4.320 0.000 0.000 0.215 428 A C 2.708 180.196 177.584 -0.159 0.000 1.195 428 A CA 1.933 53.881 52.037 -0.149 0.000 0.616 428 A CB -1.414 17.491 19.000 -0.159 0.000 0.832 428 A HN 0.477 nan 8.150 nan 0.000 0.443 429 A N -0.151 122.578 122.820 -0.153 0.000 1.929 429 A HA -0.323 3.997 4.320 0.000 0.000 0.221 429 A C 2.269 179.778 177.584 -0.124 0.000 1.211 429 A CA 2.498 54.444 52.037 -0.152 0.000 0.657 429 A CB -0.656 18.250 19.000 -0.157 0.000 0.827 429 A HN 0.616 nan 8.150 nan 0.000 0.462 430 R N -0.826 119.599 120.500 -0.126 0.000 2.096 430 R HA -0.102 4.238 4.340 0.000 0.000 0.235 430 R C 2.238 178.458 176.300 -0.133 0.000 1.127 430 R CA 1.672 57.651 56.100 -0.201 0.000 0.968 430 R CB -0.661 29.479 30.300 -0.266 0.000 0.861 430 R HN 0.479 nan 8.270 nan 0.000 0.440 431 G N 0.884 109.589 108.800 -0.159 0.000 2.394 431 G HA2 -0.177 3.783 3.960 0.000 0.000 0.214 431 G HA3 -0.177 3.783 3.960 0.000 0.000 0.214 431 G C 1.482 176.220 174.900 -0.270 0.000 1.176 431 G CA 0.674 45.551 45.100 -0.372 0.000 0.786 431 G HN 0.242 nan 8.290 nan 0.000 0.533 432 I N 0.785 121.239 120.570 -0.193 0.000 2.118 432 I HA -0.243 3.927 4.170 0.000 0.000 0.241 432 I C 2.705 178.799 176.117 -0.039 0.000 1.070 432 I CA 1.880 63.104 61.300 -0.126 0.000 1.327 432 I CB -0.286 37.642 38.000 -0.120 0.000 1.034 432 I HN 0.345 nan 8.210 nan 0.000 0.405 433 E N 0.589 120.784 120.200 -0.009 0.000 2.160 433 E HA -0.237 4.113 4.350 0.000 0.000 0.195 433 E C 1.943 178.641 176.600 0.163 0.000 0.991 433 E CA 2.002 58.442 56.400 0.067 0.000 0.810 433 E CB 0.022 29.761 29.700 0.066 0.000 0.742 433 E HN 0.458 nan 8.360 nan 0.000 0.466 434 T N 0.250 114.920 114.554 0.193 0.000 2.821 434 T HA -0.032 4.318 4.350 0.000 0.000 0.267 434 T C 1.841 176.638 174.700 0.162 0.000 1.046 434 T CA 1.102 63.363 62.100 0.268 0.000 1.139 434 T CB -0.173 68.903 68.868 0.348 0.000 0.871 434 T HN 0.352 nan 8.240 nan 0.000 0.454 435 A N 1.408 124.263 122.820 0.058 0.000 1.897 435 A HA 0.036 4.356 4.320 0.000 0.000 0.215 435 A C 2.637 180.281 177.584 0.099 0.000 1.181 435 A CA 1.431 53.494 52.037 0.044 0.000 0.620 435 A CB -0.946 18.031 19.000 -0.039 0.000 0.821 435 A HN 0.425 nan 8.150 nan 0.000 0.443 436 V N -0.829 119.155 119.914 0.118 0.000 2.358 436 V HA -0.161 3.959 4.120 0.000 0.000 0.246 436 V C 2.110 178.315 176.094 0.186 0.000 1.047 436 V CA 2.047 64.448 62.300 0.168 0.000 1.035 436 V CB -0.622 31.319 31.823 0.195 0.000 0.658 436 V HN 0.481 nan 8.190 nan 0.000 0.452 437 I N 1.007 121.690 120.570 0.189 0.000 2.394 437 I HA -0.127 4.043 4.170 0.000 0.000 0.251 437 I C 2.910 179.093 176.117 0.110 0.000 1.136 437 I CA 1.415 62.770 61.300 0.092 0.000 1.425 437 I CB -0.659 37.376 38.000 0.058 0.000 1.079 437 I HN 0.450 nan 8.210 nan 0.000 0.425 438 A N 1.432 124.375 122.820 0.205 0.000 1.933 438 A HA -0.236 4.084 4.320 0.000 0.000 0.218 438 A C 2.215 180.066 177.584 0.446 0.000 1.175 438 A CA 1.948 54.191 52.037 0.343 0.000 0.628 438 A CB -0.579 18.577 19.000 0.259 0.000 0.814 438 A HN 0.648 nan 8.150 nan 0.000 0.444 439 E N -2.312 118.057 120.200 0.282 0.000 2.112 439 E HA -0.189 4.161 4.350 0.000 0.000 0.190 439 E C 1.891 178.588 176.600 0.163 0.000 0.979 439 E CA 1.038 57.614 56.400 0.293 0.000 0.814 439 E CB -0.565 29.255 29.700 0.201 0.000 0.762 439 E HN 0.547 nan 8.360 nan 0.000 0.460 440 Y N 1.964 122.179 120.300 -0.141 0.000 2.333 440 Y HA -0.135 4.415 4.550 0.000 0.000 0.290 440 Y C 2.045 177.666 175.900 -0.464 0.000 1.144 440 Y CA 0.724 58.565 58.100 -0.431 0.000 1.228 440 Y CB -0.100 37.809 38.460 -0.918 0.000 0.985 440 Y HN -0.074 nan 8.280 nan 0.000 0.542 441 V N -0.492 119.137 119.914 -0.475 0.000 2.626 441 V HA -0.234 3.886 4.120 0.000 0.000 0.252 441 V C 2.509 178.025 176.094 -0.964 0.000 1.067 441 V CA 1.692 63.559 62.300 -0.722 0.000 1.081 441 V CB -1.336 30.057 31.823 -0.715 0.000 0.686 441 V HN 0.580 nan 8.190 nan 0.000 0.468 442 G N -0.137 108.152 108.800 -0.852 0.000 2.402 442 G HA2 -0.162 3.798 3.960 0.000 0.000 0.216 442 G HA3 -0.162 3.798 3.960 0.000 0.000 0.216 442 G C 1.614 176.286 174.900 -0.379 0.000 1.162 442 G CA 1.161 45.845 45.100 -0.693 0.000 0.777 442 G HN 0.400 nan 8.290 nan 0.000 0.539 443 V N 1.232 120.933 119.914 -0.354 0.000 2.307 443 V HA -0.180 3.940 4.120 0.000 0.000 0.245 443 V C 2.886 178.732 176.094 -0.415 0.000 1.045 443 V CA 2.011 64.127 62.300 -0.306 0.000 1.024 443 V CB -0.497 31.183 31.823 -0.239 0.000 0.651 443 V HN 0.343 nan 8.190 nan 0.000 0.449 444 M N -0.819 118.389 119.600 -0.654 0.000 2.213 444 M HA -0.146 4.334 4.480 0.000 0.000 0.263 444 M C 2.248 178.300 176.300 -0.413 0.000 1.062 444 M CA 1.681 56.679 55.300 -0.502 0.000 1.105 444 M CB -0.407 31.879 32.600 -0.525 0.000 1.385 444 M HN 0.287 nan 8.290 nan 0.000 0.417 445 L N 0.040 121.030 121.223 -0.389 0.000 2.046 445 L HA -0.261 4.079 4.340 0.000 0.000 0.208 445 L C 2.614 179.375 176.870 -0.182 0.000 1.077 445 L CA 1.620 56.316 54.840 -0.240 0.000 0.747 445 L CB -0.297 41.622 42.059 -0.233 0.000 0.896 445 L HN 0.321 nan 8.230 nan 0.000 0.432 446 Q N 0.434 120.114 119.800 -0.200 0.000 2.020 446 Q HA -0.244 4.096 4.340 0.000 0.000 0.202 446 Q C 1.937 177.820 176.000 -0.196 0.000 0.982 446 Q CA 1.985 57.698 55.803 -0.150 0.000 0.838 446 Q CB -0.115 28.558 28.738 -0.108 0.000 0.899 446 Q HN 0.448 nan 8.270 nan 0.000 0.423 447 E N -1.132 118.920 120.200 -0.246 0.000 2.118 447 E HA -0.238 4.113 4.350 0.000 0.000 0.195 447 E C 1.783 178.088 176.600 -0.490 0.000 0.992 447 E CA 1.276 57.510 56.400 -0.278 0.000 0.804 447 E CB -0.342 29.239 29.700 -0.199 0.000 0.741 447 E HN 0.443 nan 8.360 nan 0.000 0.458 448 Y N 1.826 121.601 120.300 -0.874 0.000 2.242 448 Y HA -0.149 4.401 4.550 0.000 0.000 0.291 448 Y C 1.863 177.527 175.900 -0.393 0.000 1.137 448 Y CA 1.385 58.964 58.100 -0.869 0.000 1.181 448 Y CB 0.055 38.050 38.460 -0.774 0.000 0.989 448 Y HN -0.178 nan 8.280 nan 0.000 0.527 449 K N -0.117 120.035 120.400 -0.413 0.000 2.057 449 K HA -0.154 4.166 4.320 0.000 0.000 0.206 449 K C 1.691 178.125 176.600 -0.276 0.000 1.050 449 K CA 1.522 57.595 56.287 -0.356 0.000 0.935 449 K CB -0.168 32.222 32.500 -0.183 0.000 0.715 449 K HN 0.312 nan 8.250 nan 0.000 0.439 450 D N 0.504 120.779 120.400 -0.209 0.000 2.097 450 D HA -0.194 4.446 4.640 0.000 0.000 0.195 450 D C 1.604 177.828 176.300 -0.128 0.000 0.989 450 D CA 0.987 54.906 54.000 -0.135 0.000 0.827 450 D CB -0.537 40.206 40.800 -0.094 0.000 0.966 450 D HN 0.245 nan 8.370 nan 0.000 0.456 451 N N 0.573 119.189 118.700 -0.140 0.000 2.149 451 N HA -0.139 4.601 4.740 0.000 0.000 0.188 451 N C 2.040 177.483 175.510 -0.113 0.000 1.019 451 N CA 0.664 53.671 53.050 -0.072 0.000 0.857 451 N CB -0.016 38.486 38.487 0.025 0.000 0.997 451 N HN 0.144 nan 8.380 nan 0.000 0.426 452 I N 1.065 121.493 120.570 -0.236 0.000 2.179 452 I HA -0.220 3.950 4.170 0.000 0.000 0.242 452 I C 2.528 178.562 176.117 -0.139 0.000 1.088 452 I CA 1.033 62.194 61.300 -0.232 0.000 1.357 452 I CB -0.401 37.362 38.000 -0.394 0.000 1.051 452 I HN 0.157 nan 8.210 nan 0.000 0.409 453 A N 0.676 123.416 122.820 -0.134 0.000 1.972 453 A HA -0.201 4.119 4.320 0.000 0.000 0.219 453 A C 2.208 179.759 177.584 -0.056 0.000 1.169 453 A CA 1.437 53.423 52.037 -0.085 0.000 0.635 453 A CB -0.438 18.514 19.000 -0.080 0.000 0.810 453 A HN 0.339 nan 8.150 nan 0.000 0.446 454 K N -1.633 118.736 120.400 -0.051 0.000 2.504 454 K HA 0.101 4.421 4.320 0.000 0.000 0.195 454 K C 1.148 177.736 176.600 -0.019 0.000 1.036 454 K CA 0.560 56.830 56.287 -0.027 0.000 0.984 454 K CB -0.120 32.370 32.500 -0.016 0.000 0.788 454 K HN 0.688 nan 8.250 nan 0.000 0.488 455 G N 1.556 110.341 108.800 -0.026 0.000 2.192 455 G HA2 -0.201 3.759 3.960 0.000 0.000 0.193 455 G HA3 -0.201 3.759 3.960 0.000 0.000 0.193 455 G C -0.425 174.473 174.900 -0.002 0.000 0.999 455 G CA -0.160 44.933 45.100 -0.013 0.000 0.659 455 G HN 0.328 nan 8.290 nan 0.000 0.503 456 D N 1.461 121.859 120.400 -0.003 0.000 2.344 456 D HA 0.313 4.953 4.640 0.000 0.000 0.253 456 D C 1.143 177.452 176.300 0.015 0.000 1.255 456 D CA 0.098 54.108 54.000 0.017 0.000 0.894 456 D CB -0.504 40.315 40.800 0.031 0.000 1.067 456 D HN 0.649 nan 8.370 nan 0.000 0.492 457 N N 2.003 120.725 118.700 0.036 0.000 2.401 457 N HA 0.135 4.875 4.740 0.000 0.000 0.264 457 N C -0.886 174.681 175.510 0.095 0.000 1.238 457 N CA -0.629 52.454 53.050 0.055 0.000 0.889 457 N CB 0.733 39.257 38.487 0.061 0.000 1.196 457 N HN -0.051 nan 8.380 nan 0.000 0.511 458 V N 2.008 121.969 119.914 0.079 0.000 2.427 458 V HA 0.286 4.406 4.120 0.000 0.000 0.286 458 V C 1.002 177.127 176.094 0.052 0.000 1.034 458 V CA -0.709 61.644 62.300 0.089 0.000 0.893 458 V CB 1.269 33.140 31.823 0.081 0.000 0.982 458 V HN 0.440 nan 8.190 nan 0.000 0.452 459 I N 0.708 121.285 120.570 0.011 0.000 4.456 459 I HA 0.456 4.627 4.170 0.000 0.000 0.329 459 I C 0.458 176.557 176.117 -0.029 0.000 1.313 459 I CA 0.218 61.484 61.300 -0.057 0.000 1.205 459 I CB 0.812 38.683 38.000 -0.216 0.000 1.179 459 I HN 0.563 nan 8.210 nan 0.000 0.419 460 C N 2.448 121.765 119.300 0.027 0.000 2.547 460 C HA 0.862 5.322 4.460 0.000 0.000 0.313 460 C C 0.241 175.300 174.990 0.115 0.000 1.191 460 C CA -0.116 58.945 59.018 0.071 0.000 1.474 460 C CB 1.000 28.796 27.740 0.094 0.000 2.081 460 C HN 0.507 nan 8.230 nan 0.000 0.476 461 A N 5.862 128.763 122.820 0.134 0.000 2.320 461 A HA 0.901 5.221 4.320 0.000 0.000 0.334 461 A C -2.764 174.962 177.584 0.236 0.000 1.147 461 A CA -1.117 51.015 52.037 0.158 0.000 0.820 461 A CB 0.615 19.702 19.000 0.145 0.000 1.218 461 A HN 0.731 nan 8.150 nan 0.000 0.482 462 P HA 0.452 nan 4.420 nan 0.000 0.274 462 P C -0.730 176.744 177.300 0.291 0.000 1.237 462 P CA -0.110 63.094 63.100 0.173 0.000 0.793 462 P CB 0.492 32.239 31.700 0.078 0.000 0.977 463 W N -0.836 120.489 121.300 0.042 0.000 2.989 463 W HA 0.595 5.255 4.660 0.000 0.000 0.344 463 W C -1.723 174.817 176.519 0.035 0.000 1.233 463 W CA -0.747 56.623 57.345 0.042 0.000 1.187 463 W CB 0.848 30.333 29.460 0.042 0.000 1.443 463 W HN 0.259 nan 8.180 nan 0.000 0.573 464 E N 1.187 121.502 120.200 0.192 0.000 2.293 464 E HA 0.400 4.750 4.350 0.000 0.000 0.270 464 E C -0.943 175.795 176.600 0.229 0.000 0.879 464 E CA -1.168 55.225 56.400 -0.011 0.000 0.756 464 E CB 2.644 32.345 29.700 0.003 0.000 1.208 464 E HN 0.345 nan 8.360 nan 0.000 0.428 465 M N 5.214 124.885 119.600 0.119 0.000 2.156 465 M HA 0.271 4.751 4.480 0.000 0.000 0.345 465 M C -2.276 174.113 176.300 0.148 0.000 1.398 465 M CA -1.710 53.750 55.300 0.267 0.000 1.148 465 M CB 0.415 33.152 32.600 0.228 0.000 1.663 465 M HN 0.206 nan 8.290 nan 0.000 0.464 466 P HA 0.127 nan 4.420 nan 0.000 0.272 466 P C -0.469 176.870 177.300 0.065 0.000 1.223 466 P CA -0.166 62.985 63.100 0.085 0.000 0.784 466 P CB 0.697 32.442 31.700 0.075 0.000 0.923 467 K N 0.123 120.547 120.400 0.041 0.000 2.243 467 K HA -0.003 4.317 4.320 0.000 0.000 0.201 467 K C 1.009 177.622 176.600 0.022 0.000 1.051 467 K CA 1.001 57.307 56.287 0.031 0.000 0.970 467 K CB 0.185 32.696 32.500 0.019 0.000 0.755 467 K HN 0.568 nan 8.250 nan 0.000 0.465 468 Q N -0.665 119.143 119.800 0.014 0.000 2.289 468 Q HA 0.560 4.900 4.340 0.000 0.000 0.270 468 Q C -1.862 174.130 176.000 -0.013 0.000 1.038 468 Q CA -0.521 55.279 55.803 -0.004 0.000 0.812 468 Q CB 2.252 30.981 28.738 -0.015 0.000 1.300 468 Q HN 0.116 nan 8.270 nan 0.000 0.427 469 A N 2.961 125.763 122.820 -0.030 0.000 2.544 469 A HA 0.598 4.919 4.320 0.000 0.000 0.291 469 A C -2.006 175.526 177.584 -0.086 0.000 1.055 469 A CA -0.643 51.366 52.037 -0.047 0.000 0.651 469 A CB 1.609 20.606 19.000 -0.005 0.000 1.296 469 A HN 0.773 nan 8.150 nan 0.000 0.431 470 E N 0.537 120.659 120.200 -0.131 0.000 2.291 470 E HA 0.645 4.995 4.350 0.000 0.000 0.276 470 E C -0.212 176.373 176.600 -0.024 0.000 0.896 470 E CA -0.401 55.886 56.400 -0.189 0.000 0.774 470 E CB 1.823 31.161 29.700 -0.603 0.000 1.227 470 E HN 1.452 nan 8.360 nan 0.000 0.413 471 G N 1.055 109.971 108.800 0.194 0.000 2.798 471 G HA2 0.694 4.654 3.960 0.000 0.000 0.286 471 G HA3 0.694 4.654 3.960 0.000 0.000 0.286 471 G C -1.471 173.556 174.900 0.211 0.000 1.389 471 G CA -0.598 44.635 45.100 0.222 0.000 0.894 471 G HN 0.644 nan 8.290 nan 0.000 0.488 472 V N -1.329 118.508 119.914 -0.130 0.000 3.120 472 V HA 0.906 5.026 4.120 0.000 0.000 0.303 472 V C -0.508 175.146 176.094 -0.734 0.000 1.238 472 V CA 0.192 62.096 62.300 -0.660 0.000 1.008 472 V CB 2.251 33.345 31.823 -1.215 0.000 1.064 472 V HN 1.621 nan 8.190 nan 0.000 0.434 473 G N 3.513 111.764 108.800 -0.915 0.000 2.687 473 G HA2 0.715 4.675 3.960 0.000 0.000 0.301 473 G HA3 0.715 4.675 3.960 0.000 0.000 0.301 473 G C -1.772 172.655 174.900 -0.788 0.000 1.416 473 G CA -0.437 44.251 45.100 -0.686 0.000 1.005 473 G HN 0.487 nan 8.290 nan 0.000 0.509 474 F N 1.149 120.926 119.950 -0.289 0.000 2.469 474 F HA 0.669 5.196 4.527 0.000 0.000 0.332 474 F C 0.098 175.837 175.800 -0.103 0.000 1.103 474 F CA -0.915 56.984 58.000 -0.167 0.000 0.979 474 F CB 2.739 41.621 39.000 -0.196 0.000 1.137 474 F HN 0.239 nan 8.300 nan 0.000 0.463 475 V N 2.902 122.914 119.914 0.163 0.000 2.623 475 V HA 0.304 4.425 4.120 0.000 0.000 0.304 475 V C -0.784 175.323 176.094 0.021 0.000 1.054 475 V CA -1.046 61.252 62.300 -0.002 0.000 0.882 475 V CB 2.011 33.725 31.823 -0.182 0.000 1.002 475 V HN 0.743 nan 8.190 nan 0.000 0.424 476 N N 3.287 121.985 118.700 -0.004 0.000 2.589 476 N HA 0.526 5.266 4.740 0.000 0.000 0.232 476 N C -0.061 175.425 175.510 -0.040 0.000 1.015 476 N CA -0.002 53.021 53.050 -0.045 0.000 0.931 476 N CB 1.710 40.203 38.487 0.009 0.000 1.150 476 N HN 0.880 nan 8.380 nan 0.000 0.512 477 A N 4.264 126.984 122.820 -0.167 0.000 2.249 477 A HA 0.436 4.756 4.320 0.000 0.000 0.281 477 A C -1.343 175.989 177.584 -0.420 0.000 1.127 477 A CA -1.155 50.689 52.037 -0.322 0.000 0.833 477 A CB 0.019 18.855 19.000 -0.272 0.000 1.140 477 A HN 0.421 nan 8.150 nan 0.000 0.502 478 P HA -0.132 nan 4.420 nan 0.000 0.218 478 P C 1.029 178.310 177.300 -0.031 0.000 1.146 478 P CA 1.507 64.320 63.100 -0.478 0.000 0.820 478 P CB 0.109 31.551 31.700 -0.429 0.000 0.778 479 R N -2.238 118.223 120.500 -0.065 0.000 2.334 479 R HA 0.399 4.739 4.340 0.000 0.000 0.212 479 R C 0.987 177.274 176.300 -0.023 0.000 0.897 479 R CA 0.441 56.545 56.100 0.006 0.000 1.056 479 R CB 0.529 30.843 30.300 0.024 0.000 1.046 479 R HN 0.198 nan 8.270 nan 0.000 0.513 480 G N -0.820 107.923 108.800 -0.095 0.000 2.293 480 G HA2 -0.043 3.917 3.960 0.000 0.000 0.282 480 G HA3 -0.043 3.917 3.960 0.000 0.000 0.282 480 G C -0.768 173.924 174.900 -0.348 0.000 1.299 480 G CA -0.809 44.175 45.100 -0.194 0.000 1.018 480 G HN 0.146 nan 8.290 nan 0.000 0.478 481 G N -0.256 108.121 108.800 -0.705 0.000 2.327 481 G HA2 0.567 4.527 3.960 0.000 0.000 0.278 481 G HA3 0.567 4.527 3.960 0.000 0.000 0.278 481 G C -0.179 174.320 174.900 -0.668 0.000 1.145 481 G CA 0.675 44.908 45.100 -1.445 0.000 1.097 481 G HN 1.362 nan 8.290 nan 0.000 0.430 482 L N 3.351 124.475 121.223 -0.166 0.000 2.317 482 L HA 0.792 5.132 4.340 0.000 0.000 0.281 482 L C 0.101 177.188 176.870 0.363 0.000 1.024 482 L CA -0.639 54.279 54.840 0.130 0.000 0.810 482 L CB 2.056 44.070 42.059 -0.075 0.000 1.240 482 L HN 0.500 nan 8.230 nan 0.000 0.427 483 S N 2.468 118.387 115.700 0.365 0.000 2.614 483 S HA 0.575 5.045 4.470 0.000 0.000 0.275 483 S C -0.943 173.686 174.600 0.047 0.000 1.161 483 S CA -0.782 57.439 58.200 0.035 0.000 0.969 483 S CB 0.640 63.849 63.200 0.015 0.000 1.059 483 S HN 0.779 nan 8.310 nan 0.000 0.482 484 H N 0.818 119.628 119.070 -0.434 0.000 2.499 484 H HA 0.561 5.118 4.556 0.000 0.000 0.340 484 H C -1.348 173.576 175.328 -0.674 0.000 1.148 484 H CA -0.802 55.112 56.048 -0.223 0.000 1.215 484 H CB 1.248 31.020 29.762 0.017 0.000 1.529 484 H HN 0.625 nan 8.280 nan 0.000 0.510 485 W N 2.868 123.931 121.300 -0.395 0.000 2.957 485 W HA 0.494 5.154 4.660 0.000 0.000 0.336 485 W C -0.883 175.264 176.519 -0.619 0.000 1.087 485 W CA -0.543 56.523 57.345 -0.464 0.000 1.235 485 W CB 1.149 30.307 29.460 -0.503 0.000 1.399 485 W HN 0.305 nan 8.180 nan 0.000 0.480 486 I N 2.884 123.370 120.570 -0.141 0.000 2.608 486 I HA 0.557 4.727 4.170 0.000 0.000 0.295 486 I C -0.624 175.546 176.117 0.088 0.000 1.049 486 I CA -1.314 59.851 61.300 -0.224 0.000 1.063 486 I CB 1.655 39.452 38.000 -0.339 0.000 1.248 486 I HN 0.452 nan 8.210 nan 0.000 0.424 487 R N 8.077 128.608 120.500 0.052 0.000 2.422 487 R HA 0.529 4.869 4.340 0.000 0.000 0.307 487 R C -1.316 174.996 176.300 0.019 0.000 1.004 487 R CA -0.619 55.494 56.100 0.022 0.000 0.882 487 R CB 1.152 31.478 30.300 0.043 0.000 1.164 487 R HN 0.583 nan 8.270 nan 0.000 0.489 488 I N 2.588 123.160 120.570 0.003 0.000 2.396 488 I HA 0.247 4.417 4.170 0.000 0.000 0.292 488 I C -0.087 176.035 176.117 0.007 0.000 0.999 488 I CA -0.309 61.004 61.300 0.021 0.000 1.310 488 I CB 1.577 39.594 38.000 0.028 0.000 1.404 488 I HN 0.399 nan 8.210 nan 0.000 0.496 489 E N 5.027 125.238 120.200 0.018 0.000 2.274 489 E HA 0.175 4.525 4.350 0.000 0.000 0.269 489 E C -0.667 175.943 176.600 0.017 0.000 0.891 489 E CA -0.245 56.161 56.400 0.009 0.000 0.784 489 E CB 0.847 30.550 29.700 0.006 0.000 1.225 489 E HN 0.539 nan 8.360 nan 0.000 0.412 490 D N 3.612 124.021 120.400 0.015 0.000 2.870 490 D HA -0.214 4.426 4.640 0.000 0.000 0.228 490 D C 0.684 177.001 176.300 0.027 0.000 1.147 490 D CA 1.780 55.791 54.000 0.018 0.000 0.757 490 D CB -0.824 39.984 40.800 0.014 0.000 1.091 490 D HN 0.965 nan 8.370 nan 0.000 0.429 491 G N -0.850 107.972 108.800 0.036 0.000 2.212 491 G HA2 -0.339 3.621 3.960 0.000 0.000 0.266 491 G HA3 -0.339 3.621 3.960 0.000 0.000 0.266 491 G C 0.504 175.440 174.900 0.059 0.000 0.978 491 G CA 1.161 46.293 45.100 0.053 0.000 0.632 491 G HN 0.418 nan 8.290 nan 0.000 0.537 492 K N -0.292 120.136 120.400 0.047 0.000 2.280 492 K HA 0.660 4.980 4.320 0.000 0.000 0.234 492 K C 0.566 177.197 176.600 0.052 0.000 1.028 492 K CA -1.200 55.115 56.287 0.046 0.000 0.882 492 K CB 0.991 33.510 32.500 0.031 0.000 1.194 492 K HN 0.163 nan 8.250 nan 0.000 0.458 493 I N 1.797 122.400 120.570 0.055 0.000 2.421 493 I HA 0.014 4.184 4.170 0.000 0.000 0.291 493 I C 1.404 177.560 176.117 0.065 0.000 1.089 493 I CA 0.301 61.651 61.300 0.082 0.000 1.354 493 I CB 0.757 38.815 38.000 0.096 0.000 1.413 493 I HN 0.788 nan 8.210 nan 0.000 0.513 494 G N 5.282 114.120 108.800 0.064 0.000 2.545 494 G HA2 -0.050 3.911 3.960 0.000 0.000 0.212 494 G HA3 -0.050 3.911 3.960 0.000 0.000 0.212 494 G C 0.435 175.374 174.900 0.066 0.000 1.144 494 G CA 0.276 45.406 45.100 0.050 0.000 0.813 494 G HN 0.547 nan 8.290 nan 0.000 0.531 495 N N -1.429 117.326 118.700 0.092 0.000 2.554 495 N HA 0.337 5.078 4.740 0.000 0.000 0.271 495 N C -2.485 173.121 175.510 0.159 0.000 1.081 495 N CA -0.833 52.286 53.050 0.115 0.000 0.994 495 N CB 1.546 40.088 38.487 0.093 0.000 1.641 495 N HN -0.105 nan 8.380 nan 0.000 0.511 496 F N 2.575 122.552 119.950 0.045 0.000 2.536 496 F HA 0.524 5.051 4.527 0.000 0.000 0.322 496 F C -0.923 174.888 175.800 0.019 0.000 1.144 496 F CA -0.325 57.699 58.000 0.040 0.000 0.924 496 F CB 1.386 40.374 39.000 -0.020 0.000 1.181 496 F HN 0.275 nan 8.300 nan 0.000 0.438 497 Q N 5.821 125.764 119.800 0.238 0.000 2.356 497 Q HA 0.539 4.879 4.340 0.000 0.000 0.270 497 Q C -1.606 174.527 176.000 0.221 0.000 1.058 497 Q CA -0.970 54.941 55.803 0.180 0.000 0.802 497 Q CB 3.104 31.837 28.738 -0.008 0.000 1.303 497 Q HN 0.591 nan 8.270 nan 0.000 0.444 498 L N 1.392 122.647 121.223 0.053 0.000 2.322 498 L HA 0.566 4.907 4.340 0.000 0.000 0.281 498 L C -0.469 176.418 176.870 0.029 0.000 1.014 498 L CA -0.686 54.100 54.840 -0.090 0.000 0.815 498 L CB 1.939 43.614 42.059 -0.640 0.000 1.247 498 L HN 0.266 nan 8.230 nan 0.000 0.421 499 V N 3.883 123.945 119.914 0.247 0.000 2.380 499 V HA 0.523 4.643 4.120 0.000 0.000 0.286 499 V C -0.131 176.170 176.094 0.345 0.000 1.015 499 V CA -0.753 61.702 62.300 0.259 0.000 0.834 499 V CB 1.714 33.732 31.823 0.326 0.000 1.009 499 V HN 0.543 nan 8.190 nan 0.000 0.428 500 V N 3.605 123.689 119.914 0.283 0.000 2.966 500 V HA 0.618 4.738 4.120 0.000 0.000 0.317 500 V C -1.798 174.498 176.094 0.337 0.000 1.070 500 V CA -1.866 60.618 62.300 0.306 0.000 1.008 500 V CB 1.975 33.988 31.823 0.317 0.000 1.070 500 V HN 0.493 nan 8.190 nan 0.000 0.457 501 P HA -0.115 nan 4.420 nan 0.000 0.215 501 P C 1.870 179.322 177.300 0.253 0.000 1.163 501 P CA 2.391 65.637 63.100 0.244 0.000 0.894 501 P CB 0.051 31.796 31.700 0.074 0.000 0.791 502 S N -1.358 114.452 115.700 0.182 0.000 2.442 502 S HA -0.108 4.362 4.470 0.000 0.000 0.236 502 S C 1.759 176.426 174.600 0.113 0.000 1.007 502 S CA 1.649 59.931 58.200 0.137 0.000 0.965 502 S CB -1.326 61.947 63.200 0.121 0.000 0.773 502 S HN 0.321 nan 8.310 nan 0.000 0.504 503 T N 0.676 115.300 114.554 0.117 0.000 2.777 503 T HA -0.112 4.238 4.350 0.000 0.000 0.266 503 T C 1.326 175.998 174.700 -0.047 0.000 1.040 503 T CA 1.042 63.149 62.100 0.011 0.000 1.141 503 T CB -0.379 68.465 68.868 -0.039 0.000 0.868 503 T HN 0.539 nan 8.240 nan 0.000 0.444 504 W N 1.892 123.221 121.300 0.048 0.000 2.354 504 W HA -0.155 4.505 4.660 0.000 0.000 0.315 504 W C 3.062 179.566 176.519 -0.024 0.000 1.206 504 W CA 1.670 59.030 57.345 0.025 0.000 1.290 504 W CB -0.872 28.594 29.460 0.010 0.000 1.152 504 W HN 0.328 nan 8.180 nan 0.000 0.489 505 T N -2.472 112.192 114.554 0.182 0.000 2.894 505 T HA -0.012 4.338 4.350 0.000 0.000 0.258 505 T C 1.578 176.177 174.700 -0.168 0.000 1.043 505 T CA 0.697 62.777 62.100 -0.034 0.000 1.141 505 T CB -0.490 68.323 68.868 -0.092 0.000 0.873 505 T HN -0.126 nan 8.240 nan 0.000 0.449 506 L N 1.557 122.725 121.223 -0.093 0.000 2.607 506 L HA 0.391 4.731 4.340 0.000 0.000 0.228 506 L C 1.627 178.485 176.870 -0.021 0.000 1.123 506 L CA 0.150 54.939 54.840 -0.084 0.000 0.890 506 L CB -1.447 40.592 42.059 -0.034 0.000 1.103 506 L HN 0.402 nan 8.230 nan 0.000 0.468 507 G N 1.353 110.142 108.800 -0.018 0.000 2.683 507 G HA2 0.248 4.208 3.960 0.000 0.000 0.260 507 G HA3 0.248 4.208 3.960 0.000 0.000 0.260 507 G C -2.288 172.603 174.900 -0.015 0.000 1.238 507 G CA -0.396 44.690 45.100 -0.023 0.000 0.934 507 G HN 0.052 nan 8.290 nan 0.000 0.534 508 P HA 0.302 nan 4.420 nan 0.000 0.306 508 P C -0.414 176.867 177.300 -0.033 0.000 1.309 508 P CA -0.784 62.286 63.100 -0.050 0.000 0.759 508 P CB 1.270 32.716 31.700 -0.423 0.000 1.314 509 R N -0.875 119.627 120.500 0.003 0.000 2.641 509 R HA 0.255 4.595 4.340 0.000 0.000 0.269 509 R C 0.643 176.974 176.300 0.052 0.000 1.074 509 R CA -0.318 55.772 56.100 -0.017 0.000 1.133 509 R CB -0.266 29.970 30.300 -0.107 0.000 1.029 509 R HN 0.609 nan 8.270 nan 0.000 0.488 510 C N -0.655 118.646 119.300 0.001 0.000 2.534 510 C HA 0.297 4.757 4.460 0.000 0.000 0.398 510 C C 1.517 176.571 174.990 0.107 0.000 1.609 510 C CA -0.494 58.467 59.018 -0.094 0.000 1.916 510 C CB 0.509 27.885 27.740 -0.607 0.000 1.954 510 C HN 0.968 nan 8.230 nan 0.000 0.508 511 D N -0.407 120.053 120.400 0.100 0.000 2.350 511 D HA -0.101 4.539 4.640 0.000 0.000 0.216 511 D C 1.217 177.585 176.300 0.114 0.000 0.968 511 D CA 1.085 55.163 54.000 0.129 0.000 0.894 511 D CB -0.549 40.348 40.800 0.162 0.000 0.909 511 D HN 0.728 nan 8.370 nan 0.000 0.520 512 K N -0.349 120.094 120.400 0.072 0.000 2.372 512 K HA 0.132 4.452 4.320 0.000 0.000 0.200 512 K C -0.019 176.618 176.600 0.063 0.000 1.022 512 K CA -0.198 56.126 56.287 0.061 0.000 1.125 512 K CB 0.142 32.663 32.500 0.035 0.000 0.855 512 K HN -0.068 nan 8.250 nan 0.000 0.524 513 N N 1.419 120.178 118.700 0.098 0.000 2.753 513 N HA -0.159 4.581 4.740 0.000 0.000 0.251 513 N C -0.912 174.598 175.510 -0.000 0.000 1.097 513 N CA 0.604 53.689 53.050 0.057 0.000 0.786 513 N CB -1.321 37.206 38.487 0.066 0.000 1.137 513 N HN 0.289 nan 8.380 nan 0.000 0.566 514 N N 1.145 119.841 118.700 -0.007 0.000 2.468 514 N HA 0.137 4.877 4.740 0.000 0.000 0.265 514 N C 0.697 176.193 175.510 -0.023 0.000 1.199 514 N CA -0.013 53.029 53.050 -0.012 0.000 0.928 514 N CB 0.901 39.384 38.487 -0.007 0.000 1.059 514 N HN 0.157 nan 8.380 nan 0.000 0.467 515 V N 0.513 120.411 119.914 -0.027 0.000 2.740 515 V HA 0.202 4.322 4.120 0.000 0.000 0.303 515 V C 1.019 177.101 176.094 -0.019 0.000 1.054 515 V CA -0.988 61.290 62.300 -0.037 0.000 1.106 515 V CB 0.326 32.115 31.823 -0.057 0.000 0.957 515 V HN 0.681 nan 8.190 nan 0.000 0.486 516 S N 3.127 118.816 115.700 -0.019 0.000 2.608 516 S HA 0.326 4.796 4.470 0.000 0.000 0.261 516 S C -1.503 173.078 174.600 -0.031 0.000 1.314 516 S CA -0.515 57.675 58.200 -0.017 0.000 0.992 516 S CB 0.618 63.804 63.200 -0.023 0.000 0.935 516 S HN 0.659 nan 8.310 nan 0.000 0.564 517 P HA -0.142 nan 4.420 nan 0.000 0.214 517 P C 1.629 178.876 177.300 -0.088 0.000 1.169 517 P CA 1.025 64.101 63.100 -0.040 0.000 0.908 517 P CB -0.194 31.471 31.700 -0.057 0.000 0.791 518 V N -0.031 119.681 119.914 -0.337 0.000 2.295 518 V HA -0.257 3.863 4.120 0.000 0.000 0.246 518 V C 2.220 178.279 176.094 -0.058 0.000 1.049 518 V CA 1.957 64.059 62.300 -0.330 0.000 1.024 518 V CB -1.328 30.223 31.823 -0.454 0.000 0.648 518 V HN 0.201 nan 8.190 nan 0.000 0.447 519 E N 0.339 120.499 120.200 -0.066 0.000 2.153 519 E HA -0.181 4.169 4.350 0.000 0.000 0.194 519 E C 2.257 178.840 176.600 -0.028 0.000 0.988 519 E CA 1.256 57.623 56.400 -0.056 0.000 0.811 519 E CB -0.313 29.332 29.700 -0.091 0.000 0.746 519 E HN 0.630 nan 8.360 nan 0.000 0.466 520 A N 1.468 124.289 122.820 0.001 0.000 1.872 520 A HA -0.160 4.160 4.320 0.000 0.000 0.214 520 A C 2.334 179.969 177.584 0.085 0.000 1.187 520 A CA 1.592 53.646 52.037 0.029 0.000 0.614 520 A CB -0.585 18.435 19.000 0.033 0.000 0.826 520 A HN 0.313 nan 8.150 nan 0.000 0.442 521 S N -0.610 115.184 115.700 0.157 0.000 2.442 521 S HA -0.056 4.414 4.470 0.000 0.000 0.236 521 S C 1.609 176.332 174.600 0.205 0.000 1.007 521 S CA 1.201 59.540 58.200 0.232 0.000 0.965 521 S CB -0.336 63.105 63.200 0.401 0.000 0.773 521 S HN 0.195 nan 8.310 nan 0.000 0.504 522 L N 1.488 122.801 121.223 0.150 0.000 2.291 522 L HA 0.278 4.618 4.340 0.000 0.000 0.214 522 L C 0.656 177.571 176.870 0.075 0.000 1.120 522 L CA 0.525 55.434 54.840 0.115 0.000 0.799 522 L CB -1.045 41.056 42.059 0.070 0.000 0.925 522 L HN 0.368 nan 8.230 nan 0.000 0.446 523 I N 0.729 121.334 120.570 0.059 0.000 2.664 523 I HA 0.177 4.347 4.170 0.000 0.000 0.284 523 I C 1.519 177.669 176.117 0.056 0.000 1.154 523 I CA 0.975 62.298 61.300 0.037 0.000 1.402 523 I CB -0.631 37.382 38.000 0.022 0.000 1.395 523 I HN 0.445 nan 8.210 nan 0.000 0.545 524 G N 4.725 113.544 108.800 0.032 0.000 2.213 524 G HA2 -0.228 3.732 3.960 0.000 0.000 0.226 524 G HA3 -0.228 3.732 3.960 0.000 0.000 0.226 524 G C 0.515 175.388 174.900 -0.045 0.000 0.992 524 G CA -0.090 45.027 45.100 0.027 0.000 0.632 524 G HN 0.527 nan 8.290 nan 0.000 0.511 525 T N 4.859 119.379 114.554 -0.056 0.000 2.792 525 T HA 0.415 4.765 4.350 0.000 0.000 0.286 525 T C -1.831 172.739 174.700 -0.217 0.000 0.970 525 T CA 0.435 62.420 62.100 -0.192 0.000 1.187 525 T CB 1.320 70.183 68.868 -0.009 0.000 0.915 525 T HN 0.354 nan 8.240 nan 0.000 0.529 526 P HA 0.268 nan 4.420 nan 0.000 0.281 526 P C -0.677 176.564 177.300 -0.098 0.000 1.252 526 P CA -0.399 62.568 63.100 -0.223 0.000 0.778 526 P CB 1.121 32.643 31.700 -0.297 0.000 0.895 527 V N 3.174 123.076 119.914 -0.020 0.000 2.444 527 V HA 0.519 4.639 4.120 0.000 0.000 0.294 527 V C 0.993 177.113 176.094 0.043 0.000 1.022 527 V CA -0.184 62.130 62.300 0.022 0.000 0.850 527 V CB 1.165 32.981 31.823 -0.011 0.000 0.992 527 V HN 0.657 nan 8.190 nan 0.000 0.426 528 A N 4.808 127.688 122.820 0.100 0.000 1.898 528 A HA 0.181 4.501 4.320 0.000 0.000 0.214 528 A C 0.850 178.452 177.584 0.031 0.000 1.183 528 A CA 1.319 53.418 52.037 0.104 0.000 0.622 528 A CB -0.116 19.005 19.000 0.200 0.000 0.824 528 A HN 0.891 nan 8.150 nan 0.000 0.444 529 D N -2.179 118.221 120.400 -0.000 0.000 2.575 529 D HA 0.579 5.220 4.640 0.000 0.000 0.250 529 D C 0.554 176.754 176.300 -0.167 0.000 1.279 529 D CA 0.185 54.120 54.000 -0.109 0.000 0.925 529 D CB 1.408 42.080 40.800 -0.213 0.000 1.261 529 D HN 0.079 nan 8.370 nan 0.000 0.567 530 A N 4.519 127.160 122.820 -0.298 0.000 2.024 530 A HA -0.165 4.155 4.320 0.000 0.000 0.220 530 A C 1.854 179.263 177.584 -0.292 0.000 1.164 530 A CA 1.110 52.879 52.037 -0.448 0.000 0.643 530 A CB -0.216 18.174 19.000 -1.018 0.000 0.806 530 A HN 0.511 nan 8.150 nan 0.000 0.451 531 K N -0.809 119.452 120.400 -0.232 0.000 2.228 531 K HA 0.012 4.332 4.320 0.000 0.000 0.202 531 K C 0.102 176.516 176.600 -0.311 0.000 1.051 531 K CA 0.666 56.833 56.287 -0.199 0.000 0.960 531 K CB 0.071 32.480 32.500 -0.150 0.000 0.743 531 K HN 0.386 nan 8.250 nan 0.000 0.458 532 R N 1.017 121.299 120.500 -0.363 0.000 2.585 532 R HA 0.136 4.477 4.340 0.000 0.000 0.278 532 R C -2.506 173.625 176.300 -0.282 0.000 1.663 532 R CA -1.099 54.593 56.100 -0.680 0.000 1.592 532 R CB 1.216 31.268 30.300 -0.413 0.000 1.200 532 R HN -0.079 nan 8.270 nan 0.000 0.611 533 P HA -0.022 nan 4.420 nan 0.000 0.226 533 P C 0.733 178.137 177.300 0.173 0.000 1.783 533 P CA 0.106 63.219 63.100 0.022 0.000 0.980 533 P CB 0.824 32.525 31.700 0.002 0.000 1.967 534 V N 2.161 122.202 119.914 0.211 0.000 2.490 534 V HA -0.241 3.879 4.120 0.000 0.000 0.250 534 V C 2.022 178.116 176.094 0.001 0.000 1.061 534 V CA 2.067 64.476 62.300 0.181 0.000 1.064 534 V CB -0.605 31.254 31.823 0.061 0.000 0.670 534 V HN 0.168 nan 8.190 nan 0.000 0.461 535 E N 0.260 120.502 120.200 0.070 0.000 2.110 535 E HA -0.171 4.179 4.350 0.000 0.000 0.193 535 E C 1.976 178.664 176.600 0.146 0.000 0.988 535 E CA 1.858 58.363 56.400 0.174 0.000 0.804 535 E CB -0.282 29.613 29.700 0.324 0.000 0.745 535 E HN 0.661 nan 8.360 nan 0.000 0.458 536 I N 0.037 120.666 120.570 0.098 0.000 2.252 536 I HA -0.227 3.943 4.170 0.000 0.000 0.245 536 I C 1.651 177.771 176.117 0.005 0.000 1.102 536 I CA 0.600 61.944 61.300 0.074 0.000 1.385 536 I CB -0.087 37.947 38.000 0.057 0.000 1.064 536 I HN 0.125 nan 8.210 nan 0.000 0.414 537 L N 0.420 121.619 121.223 -0.040 0.000 2.275 537 L HA -0.122 4.218 4.340 0.000 0.000 0.215 537 L C 2.485 179.270 176.870 -0.142 0.000 1.119 537 L CA 1.572 56.309 54.840 -0.173 0.000 0.790 537 L CB -0.746 41.271 42.059 -0.071 0.000 0.919 537 L HN 0.102 nan 8.230 nan 0.000 0.443 538 R N -1.685 118.716 120.500 -0.164 0.000 2.073 538 R HA -0.063 4.277 4.340 0.000 0.000 0.229 538 R C 2.076 178.381 176.300 0.008 0.000 1.120 538 R CA 1.661 57.614 56.100 -0.245 0.000 0.967 538 R CB -0.457 29.343 30.300 -0.833 0.000 0.862 538 R HN 0.289 nan 8.270 nan 0.000 0.436 539 T N 0.435 115.040 114.554 0.085 0.000 2.851 539 T HA -0.041 4.310 4.350 0.000 0.000 0.262 539 T C 1.958 176.791 174.700 0.222 0.000 1.043 539 T CA 0.962 63.183 62.100 0.201 0.000 1.140 539 T CB -0.015 69.035 68.868 0.305 0.000 0.872 539 T HN -0.037 nan 8.240 nan 0.000 0.446 540 V N 1.217 121.216 119.914 0.142 0.000 2.343 540 V HA -0.198 3.922 4.120 0.000 0.000 0.247 540 V C 2.100 178.269 176.094 0.125 0.000 1.051 540 V CA 1.757 64.141 62.300 0.140 0.000 1.036 540 V CB -0.718 31.075 31.823 -0.050 0.000 0.654 540 V HN 0.641 nan 8.190 nan 0.000 0.451 541 H N 0.195 119.269 119.070 0.008 0.000 2.495 541 H HA -0.073 4.483 4.556 0.000 0.000 0.287 541 H C 2.390 177.547 175.328 -0.284 0.000 1.033 541 H CA 1.021 56.980 56.048 -0.147 0.000 1.307 541 H CB 0.093 29.654 29.762 -0.335 0.000 1.401 541 H HN 0.591 nan 8.280 nan 0.000 0.555 542 S N 0.033 115.673 115.700 -0.101 0.000 2.453 542 S HA -0.125 4.345 4.470 0.000 0.000 0.231 542 S C 1.488 176.040 174.600 -0.080 0.000 1.005 542 S CA 0.664 58.824 58.200 -0.067 0.000 0.949 542 S CB -0.363 62.871 63.200 0.058 0.000 0.774 542 S HN 0.252 nan 8.310 nan 0.000 0.510 543 F N 1.913 121.882 119.950 0.031 0.000 2.710 543 F HA 0.220 4.747 4.527 0.000 0.000 0.298 543 F C 0.927 176.711 175.800 -0.026 0.000 1.137 543 F CA 0.296 58.311 58.000 0.024 0.000 1.444 543 F CB -0.367 38.664 39.000 0.052 0.000 1.111 543 F HN 0.151 nan 8.300 nan 0.000 0.580 544 D N 0.386 120.858 120.400 0.119 0.000 2.746 544 D HA -0.143 4.497 4.640 0.000 0.000 0.241 544 D C -2.508 173.864 176.300 0.119 0.000 1.140 544 D CA -0.068 53.926 54.000 -0.010 0.000 0.707 544 D CB -0.571 39.993 40.800 -0.393 0.000 1.034 544 D HN 0.102 nan 8.370 nan 0.000 0.423 545 P HA 0.135 nan 4.420 nan 0.000 0.271 545 P C -0.062 177.312 177.300 0.124 0.000 1.216 545 P CA -0.404 62.778 63.100 0.137 0.000 0.776 545 P CB 1.410 33.182 31.700 0.119 0.000 0.881 546 C N 6.100 125.466 119.300 0.110 0.000 2.455 546 C HA 0.288 4.748 4.460 0.000 0.000 0.321 546 C C 1.701 176.754 174.990 0.104 0.000 1.102 546 C CA -0.669 58.411 59.018 0.104 0.000 1.413 546 C CB -1.080 26.728 27.740 0.113 0.000 1.952 546 C HN 0.466 nan 8.230 nan 0.000 0.428 547 I N 3.941 124.562 120.570 0.084 0.000 2.353 547 I HA -0.014 4.156 4.170 0.000 0.000 0.248 547 I C 2.590 178.761 176.117 0.090 0.000 1.119 547 I CA 1.692 63.047 61.300 0.093 0.000 1.417 547 I CB -1.582 36.476 38.000 0.096 0.000 1.078 547 I HN 0.779 nan 8.210 nan 0.000 0.421 548 A N 0.057 122.914 122.820 0.061 0.000 2.019 548 A HA -0.193 4.127 4.320 0.000 0.000 0.219 548 A C 2.589 180.226 177.584 0.089 0.000 1.164 548 A CA 1.540 53.607 52.037 0.050 0.000 0.644 548 A CB -0.997 18.019 19.000 0.026 0.000 0.805 548 A HN 0.476 nan 8.150 nan 0.000 0.449 549 C N -1.314 118.069 119.300 0.140 0.000 2.508 549 C HA 0.077 4.537 4.460 0.000 0.000 0.280 549 C C 3.031 178.202 174.990 0.300 0.000 1.262 549 C CA 0.798 59.954 59.018 0.229 0.000 1.706 549 C CB -1.432 26.471 27.740 0.272 0.000 2.078 549 C HN 0.674 nan 8.230 nan 0.000 0.480 550 G N -0.411 108.519 108.800 0.217 0.000 2.479 550 G HA2 -0.109 3.851 3.960 0.000 0.000 0.220 550 G HA3 -0.109 3.851 3.960 0.000 0.000 0.220 550 G C 1.426 176.384 174.900 0.097 0.000 1.115 550 G CA 1.625 46.841 45.100 0.194 0.000 0.757 550 G HN 0.461 nan 8.290 nan 0.000 0.560 551 V N 0.603 120.511 119.914 -0.009 0.000 3.151 551 V HA 0.158 4.278 4.120 0.000 0.000 0.241 551 V C 1.078 176.709 176.094 -0.772 0.000 1.173 551 V CA 0.436 62.585 62.300 -0.251 0.000 1.154 551 V CB -0.549 31.288 31.823 0.023 0.000 0.898 551 V HN 0.730 nan 8.190 nan 0.000 0.473 552 H N 0.000 119.023 119.070 -0.078 0.000 2.539 552 H HA 0.000 4.556 4.556 0.000 0.000 0.296 552 H CA 0.000 55.940 56.048 -0.180 0.000 1.023 552 H CB 0.000 29.666 29.762 -0.160 0.000 1.292 552 H HN 0.000 nan 8.280 nan 0.000 0.496