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 2jgu_1_A DATA FIRST_RESID 1 DATA SEQUENCE MILDVDYITE EGKPVIRLFK KENGKFKIEH DRTFRPYIYA LLRDDSKIEE DATA SEQUENCE VKKITGERHG KIVRIVDVEK VEKKFLGKPI TVWKLYLEHP QDVPTLREKV DATA SEQUENCE REHPAVVDIF EYDIPFAKRY LIDKGLIPME GEEELKILAF DIETLYHEGE DATA SEQUENCE EFGKGPIIMI SYADENEARV ITWKNIDLPY VESVSTEKEM IKRFLRIIRE DATA SEQUENCE KDPDIIVTYN GDSFDFPYLA KRAEKLGIKL TIGRDGSEPK MQRIGDMTAV DATA SEQUENCE EVKGRIHFDL YHVIRTTINL PTYTLEAVYE AIFGKPKEKV YADEIAKAWE DATA SEQUENCE SGENLERVAK YSMEDAKATY ELGKEFLPME IQLSRLVGQP LWDVSRSSTG DATA SEQUENCE NLVEWFLLRK AYERNEVAPN KPSEEEYQRR LRESYTGGFV KEPEKGLWEN DATA SEQUENCE IVYLDYKSLY PSIIITHNVS PDTLNLEGcK NYDIAPQVGH KFcKDIPGFI DATA SEQUENCE PSLLGHLLEE RQKIKTKMKE TQDPIEKILL DYRQKAIKLL ANSFYGYYGY DATA SEQUENCE AKARWYCKEC AESVTAWGRK YIELVWKELE EKFGFKVLYI DTDGLYATIP DATA SEQUENCE GGESEEIKKK ALEFVKYINS KLPGLLELEY EGFYKRGFFV TKKRYAVIDE DATA SEQUENCE EGKVITRGLE XXXXXXSEIA KETQARVLET ILKHGDVEEA VRIVKEVIQK DATA SEQUENCE LANYEIPPEK LAXXXXXXXX XXXXXXXXPH VAVAKKLAAK GVKIKPGMVI DATA SEQUENCE GYIVXXXXXX XXXXXXXXXX XXXXXXXXDA EYYIENQVLP AVLRILEGFG DATA SEQUENCE YRKEDLRY 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.331 176.300 0.051 0.000 1.140 1 M CA 0.000 55.322 55.300 0.036 0.000 0.988 1 M CB 0.000 32.624 32.600 0.040 0.000 1.302 2 I N 2.251 122.851 120.570 0.050 0.000 2.797 2 I HA 0.416 4.600 4.170 0.024 0.000 0.307 2 I C -0.241 175.923 176.117 0.078 0.000 1.033 2 I CA -0.428 60.914 61.300 0.071 0.000 1.071 2 I CB 2.191 40.223 38.000 0.054 0.000 1.255 2 I HN 0.761 nan 8.210 nan 0.000 0.445 3 L N 1.597 122.886 121.223 0.111 0.000 3.066 3 L HA 0.397 4.751 4.340 0.024 0.000 0.272 3 L C -0.588 176.292 176.870 0.016 0.000 1.101 3 L CA 0.246 55.129 54.840 0.072 0.000 1.022 3 L CB 0.902 43.027 42.059 0.110 0.000 1.600 3 L HN 0.589 nan 8.230 nan 0.000 0.559 4 D N -2.106 118.334 120.400 0.067 0.000 2.764 4 D HA 0.538 5.192 4.640 0.024 0.000 0.293 4 D C -1.704 174.687 176.300 0.152 0.000 1.287 4 D CA -0.142 53.838 54.000 -0.034 0.000 0.768 4 D CB 2.358 42.903 40.800 -0.424 0.000 1.288 4 D HN -0.293 nan 8.370 nan 0.000 0.426 5 V N 1.674 121.633 119.914 0.075 0.000 2.852 5 V HA 0.574 4.709 4.120 0.024 0.000 0.300 5 V C -1.448 174.705 176.094 0.097 0.000 1.205 5 V CA -0.683 61.700 62.300 0.138 0.000 0.940 5 V CB 1.966 33.823 31.823 0.057 0.000 1.047 5 V HN 0.715 nan 8.190 nan 0.000 0.429 6 D N 2.863 123.362 120.400 0.163 0.000 2.665 6 D HA 0.448 5.103 4.640 0.024 0.000 0.287 6 D C -1.708 174.718 176.300 0.210 0.000 1.266 6 D CA -0.467 53.618 54.000 0.141 0.000 0.830 6 D CB 2.591 43.422 40.800 0.051 0.000 1.356 6 D HN 0.524 nan 8.370 nan 0.000 0.437 7 Y N -0.867 119.495 120.300 0.103 0.000 2.545 7 Y HA 0.718 5.282 4.550 0.024 0.000 0.348 7 Y C -0.657 175.298 175.900 0.092 0.000 1.002 7 Y CA -1.169 57.002 58.100 0.118 0.000 1.039 7 Y CB 1.476 40.078 38.460 0.237 0.000 1.271 7 Y HN 0.527 nan 8.280 nan 0.000 0.467 8 I N -0.149 120.542 120.570 0.202 0.000 2.797 8 I HA 0.750 4.934 4.170 0.024 0.000 0.307 8 I C -0.888 175.356 176.117 0.211 0.000 1.033 8 I CA -1.133 60.222 61.300 0.091 0.000 1.071 8 I CB 2.439 40.485 38.000 0.077 0.000 1.255 8 I HN 0.659 nan 8.210 nan 0.000 0.445 9 T N 2.031 116.672 114.554 0.145 0.000 2.756 9 T HA 0.302 4.667 4.350 0.024 0.000 0.290 9 T C -0.324 174.417 174.700 0.068 0.000 0.985 9 T CA -0.379 61.827 62.100 0.178 0.000 0.955 9 T CB 0.733 69.704 68.868 0.172 0.000 0.930 9 T HN 0.558 nan 8.240 nan 0.000 0.451 10 E N 3.601 123.842 120.200 0.067 0.000 2.261 10 E HA 0.140 4.505 4.350 0.024 0.000 0.239 10 E C -0.481 176.123 176.600 0.007 0.000 0.991 10 E CA -0.453 55.959 56.400 0.020 0.000 0.847 10 E CB 0.206 29.912 29.700 0.011 0.000 1.223 10 E HN 0.743 nan 8.360 nan 0.000 0.446 11 E N 0.780 120.968 120.200 -0.019 0.000 2.966 11 E HA -0.286 4.079 4.350 0.024 0.000 0.153 11 E C 0.646 177.214 176.600 -0.052 0.000 1.949 11 E CA 0.250 56.623 56.400 -0.045 0.000 0.672 11 E CB -1.767 27.911 29.700 -0.037 0.000 1.072 11 E HN 0.891 nan 8.360 nan 0.000 0.344 12 G N 1.712 110.451 108.800 -0.103 0.000 2.212 12 G HA2 -0.360 3.614 3.960 0.024 0.000 0.266 12 G HA3 -0.360 3.614 3.960 0.024 0.000 0.266 12 G C 0.106 174.979 174.900 -0.045 0.000 0.978 12 G CA 0.885 45.916 45.100 -0.115 0.000 0.632 12 G HN 0.448 nan 8.290 nan 0.000 0.537 13 K N 1.054 121.469 120.400 0.024 0.000 2.270 13 K HA 0.525 4.860 4.320 0.024 0.000 0.255 13 K C -2.944 173.783 176.600 0.211 0.000 0.936 13 K CA -1.854 54.500 56.287 0.112 0.000 0.809 13 K CB 3.381 35.921 32.500 0.067 0.000 1.131 13 K HN 0.128 nan 8.250 nan 0.000 0.427 14 P HA 0.297 nan 4.420 nan 0.000 0.294 14 P C -0.728 176.667 177.300 0.158 0.000 1.294 14 P CA -0.619 62.532 63.100 0.085 0.000 0.827 14 P CB 1.412 32.758 31.700 -0.590 0.000 0.992 15 V N 4.875 124.956 119.914 0.279 0.000 2.531 15 V HA 0.284 4.418 4.120 0.024 0.000 0.301 15 V C 0.421 176.686 176.094 0.287 0.000 1.034 15 V CA -0.833 61.620 62.300 0.254 0.000 0.865 15 V CB 1.926 33.865 31.823 0.193 0.000 0.995 15 V HN 0.436 nan 8.190 nan 0.000 0.424 16 I N 4.859 125.517 120.570 0.147 0.000 2.519 16 I HA 0.467 4.652 4.170 0.024 0.000 0.287 16 I C 0.430 176.482 176.117 -0.108 0.000 1.047 16 I CA -0.046 61.214 61.300 -0.067 0.000 1.381 16 I CB 1.114 38.733 38.000 -0.636 0.000 1.417 16 I HN 0.555 nan 8.210 nan 0.000 0.540 17 R N 5.156 125.576 120.500 -0.134 0.000 2.686 17 R HA 0.697 5.052 4.340 0.024 0.000 0.286 17 R C -1.428 174.707 176.300 -0.274 0.000 0.969 17 R CA -0.971 54.947 56.100 -0.302 0.000 0.898 17 R CB 2.342 32.459 30.300 -0.305 0.000 1.183 17 R HN 0.319 nan 8.270 nan 0.000 0.456 18 L N 2.896 123.892 121.223 -0.380 0.000 2.362 18 L HA 0.469 4.824 4.340 0.024 0.000 0.275 18 L C -1.103 175.592 176.870 -0.291 0.000 0.998 18 L CA -0.276 54.459 54.840 -0.175 0.000 0.820 18 L CB 1.305 43.302 42.059 -0.103 0.000 1.270 18 L HN 0.453 nan 8.230 nan 0.000 0.415 19 F N 2.888 122.798 119.950 -0.066 0.000 2.350 19 F HA 0.491 5.033 4.527 0.025 0.000 0.365 19 F C 0.371 176.177 175.800 0.011 0.000 1.122 19 F CA -0.653 57.347 58.000 -0.001 0.000 1.139 19 F CB 0.574 39.639 39.000 0.108 0.000 1.220 19 F HN 0.274 nan 8.300 nan 0.000 0.499 20 K N 2.080 122.515 120.400 0.059 0.000 2.221 20 K HA 0.543 4.877 4.320 0.024 0.000 0.243 20 K C -0.534 176.141 176.600 0.125 0.000 0.968 20 K CA -1.338 54.989 56.287 0.067 0.000 0.846 20 K CB 1.685 34.174 32.500 -0.018 0.000 1.141 20 K HN 0.127 nan 8.250 nan 0.000 0.434 21 K N 2.402 122.876 120.400 0.124 0.000 2.323 21 K HA 0.270 4.604 4.320 0.024 0.000 0.259 21 K C -1.336 175.313 176.600 0.082 0.000 0.947 21 K CA -0.263 56.116 56.287 0.153 0.000 0.819 21 K CB 1.319 33.900 32.500 0.136 0.000 1.109 21 K HN 0.659 nan 8.250 nan 0.000 0.429 22 E N 3.619 123.861 120.200 0.070 0.000 2.432 22 E HA 0.089 4.454 4.350 0.024 0.000 0.272 22 E C -0.620 175.999 176.600 0.033 0.000 0.937 22 E CA -0.437 55.985 56.400 0.036 0.000 0.812 22 E CB 0.879 30.584 29.700 0.008 0.000 1.377 22 E HN 0.772 nan 8.360 nan 0.000 0.399 23 N N 1.951 120.671 118.700 0.033 0.000 2.707 23 N HA -0.295 4.459 4.740 0.024 0.000 0.253 23 N C 0.531 176.062 175.510 0.035 0.000 0.998 23 N CA 1.268 54.336 53.050 0.030 0.000 0.751 23 N CB -1.597 36.902 38.487 0.020 0.000 0.920 23 N HN 0.923 nan 8.380 nan 0.000 0.539 24 G N -1.968 106.861 108.800 0.048 0.000 2.157 24 G HA2 -0.311 3.663 3.960 0.024 0.000 0.239 24 G HA3 -0.311 3.663 3.960 0.024 0.000 0.239 24 G C -0.058 174.886 174.900 0.073 0.000 0.982 24 G CA 0.658 45.791 45.100 0.054 0.000 0.650 24 G HN 0.800 nan 8.290 nan 0.000 0.527 25 K N -0.397 120.049 120.400 0.076 0.000 2.166 25 K HA 0.846 5.180 4.320 0.024 0.000 0.245 25 K C -0.899 175.796 176.600 0.159 0.000 0.967 25 K CA -1.151 55.189 56.287 0.089 0.000 0.863 25 K CB 0.962 33.481 32.500 0.032 0.000 1.107 25 K HN 0.429 nan 8.250 nan 0.000 0.436 26 F N 2.393 122.347 119.950 0.008 0.000 2.561 26 F HA 0.645 5.187 4.527 0.024 0.000 0.313 26 F C -1.494 174.304 175.800 -0.004 0.000 1.126 26 F CA -0.394 57.614 58.000 0.014 0.000 0.918 26 F CB 1.128 40.144 39.000 0.027 0.000 1.199 26 F HN 0.581 nan 8.300 nan 0.000 0.444 27 K N 4.498 124.339 120.400 -0.932 0.000 2.670 27 K HA 0.680 5.015 4.320 0.024 0.000 0.289 27 K C -2.085 174.101 176.600 -0.689 0.000 1.045 27 K CA -0.853 54.876 56.287 -0.931 0.000 0.834 27 K CB 1.397 33.623 32.500 -0.458 0.000 1.531 27 K HN 0.510 nan 8.250 nan 0.000 0.376 28 I N 0.754 120.981 120.570 -0.571 0.000 2.433 28 I HA 0.439 4.624 4.170 0.024 0.000 0.292 28 I C -0.999 174.848 176.117 -0.451 0.000 1.001 28 I CA -0.725 60.238 61.300 -0.562 0.000 1.119 28 I CB 1.981 39.612 38.000 -0.614 0.000 1.289 28 I HN 0.432 nan 8.210 nan 0.000 0.438 29 E N 4.356 124.252 120.200 -0.506 0.000 2.187 29 E HA 0.511 4.875 4.350 0.024 0.000 0.268 29 E C -1.398 174.883 176.600 -0.531 0.000 0.896 29 E CA -0.785 55.412 56.400 -0.339 0.000 0.766 29 E CB 1.299 30.880 29.700 -0.198 0.000 1.142 29 E HN 0.381 nan 8.360 nan 0.000 0.408 30 H N 0.482 119.495 119.070 -0.097 0.000 2.529 30 H HA 0.477 5.048 4.556 0.024 0.000 0.348 30 H C -1.022 174.284 175.328 -0.036 0.000 1.079 30 H CA -0.885 55.116 56.048 -0.078 0.000 1.198 30 H CB 1.471 31.198 29.762 -0.058 0.000 1.521 30 H HN 0.202 nan 8.280 nan 0.000 0.514 31 D N 1.491 121.928 120.400 0.062 0.000 2.502 31 D HA 0.231 4.885 4.640 0.024 0.000 0.249 31 D C 0.057 176.440 176.300 0.137 0.000 1.092 31 D CA -0.821 53.235 54.000 0.094 0.000 0.839 31 D CB 1.130 41.995 40.800 0.108 0.000 1.264 31 D HN 0.676 nan 8.370 nan 0.000 0.511 32 R N 1.758 122.347 120.500 0.149 0.000 2.577 32 R HA 0.108 4.462 4.340 0.024 0.000 0.344 32 R C 1.031 177.430 176.300 0.166 0.000 1.037 32 R CA -0.088 56.107 56.100 0.157 0.000 1.102 32 R CB 0.334 30.698 30.300 0.106 0.000 1.313 32 R HN 0.385 nan 8.270 nan 0.000 0.561 33 T N -1.610 113.060 114.554 0.195 0.000 3.186 33 T HA 0.174 4.539 4.350 0.024 0.000 0.257 33 T C -0.271 174.574 174.700 0.241 0.000 1.029 33 T CA -0.461 61.737 62.100 0.165 0.000 0.916 33 T CB -0.263 68.676 68.868 0.119 0.000 1.041 33 T HN 0.094 nan 8.240 nan 0.000 0.562 34 F N 2.197 122.243 119.950 0.160 0.000 2.443 34 F HA 0.712 5.253 4.527 0.024 0.000 0.335 34 F C -0.132 175.828 175.800 0.267 0.000 1.104 34 F CA -1.507 56.618 58.000 0.209 0.000 1.013 34 F CB 1.334 40.512 39.000 0.297 0.000 1.136 34 F HN -0.020 nan 8.300 nan 0.000 0.470 35 R N 5.873 126.046 120.500 -0.545 0.000 2.750 35 R HA 0.482 4.837 4.340 0.024 0.000 0.281 35 R C -2.560 173.637 176.300 -0.172 0.000 0.972 35 R CA -2.005 53.959 56.100 -0.228 0.000 0.912 35 R CB 1.668 31.938 30.300 -0.051 0.000 1.187 35 R HN 0.394 nan 8.270 nan 0.000 0.464 36 P HA 0.001 nan 4.420 nan 0.000 0.271 36 P C -1.371 176.085 177.300 0.259 0.000 1.238 36 P CA 0.228 63.463 63.100 0.225 0.000 0.794 36 P CB 0.316 32.054 31.700 0.064 0.000 0.959 37 Y N -0.913 119.372 120.300 -0.024 0.000 2.774 37 Y HA 0.691 5.256 4.550 0.025 0.000 0.346 37 Y C -1.616 174.193 175.900 -0.152 0.000 1.222 37 Y CA -1.313 56.698 58.100 -0.148 0.000 1.088 37 Y CB 0.656 38.893 38.460 -0.372 0.000 1.354 37 Y HN 0.496 nan 8.280 nan 0.000 0.455 38 I N -0.606 119.919 120.570 -0.074 0.000 3.093 38 I HA 0.680 4.865 4.170 0.024 0.000 0.308 38 I C -2.226 173.858 176.117 -0.055 0.000 1.303 38 I CA -1.305 59.911 61.300 -0.139 0.000 0.975 38 I CB 2.748 40.781 38.000 0.054 0.000 1.286 38 I HN 0.763 nan 8.210 nan 0.000 0.459 39 Y N 2.437 122.878 120.300 0.236 0.000 2.420 39 Y HA 0.832 5.396 4.550 0.024 0.000 0.334 39 Y C 0.280 176.328 175.900 0.247 0.000 1.094 39 Y CA -0.894 57.366 58.100 0.267 0.000 1.126 39 Y CB 2.162 40.821 38.460 0.331 0.000 1.217 39 Y HN 0.783 nan 8.280 nan 0.000 0.462 40 A N 3.074 126.152 122.820 0.430 0.000 2.356 40 A HA 0.638 4.972 4.320 0.024 0.000 0.310 40 A C -1.892 175.888 177.584 0.328 0.000 1.075 40 A CA -0.647 51.556 52.037 0.277 0.000 0.746 40 A CB 1.158 20.274 19.000 0.194 0.000 1.221 40 A HN 0.655 nan 8.150 nan 0.000 0.443 41 L N 2.596 123.952 121.223 0.221 0.000 2.289 41 L HA 0.787 5.142 4.340 0.024 0.000 0.285 41 L C -1.268 175.688 176.870 0.144 0.000 1.049 41 L CA -0.446 54.521 54.840 0.212 0.000 0.804 41 L CB 1.116 43.285 42.059 0.183 0.000 1.195 41 L HN 0.597 nan 8.230 nan 0.000 0.428 42 L N 4.761 126.093 121.223 0.182 0.000 2.408 42 L HA 0.523 4.877 4.340 0.024 0.000 0.268 42 L C 1.154 178.066 176.870 0.070 0.000 0.986 42 L CA -0.179 54.720 54.840 0.098 0.000 0.820 42 L CB 1.855 43.960 42.059 0.076 0.000 1.303 42 L HN 0.672 nan 8.230 nan 0.000 0.411 43 R N 1.019 121.527 120.500 0.014 0.000 2.113 43 R HA -0.119 4.236 4.340 0.024 0.000 0.244 43 R C -0.505 175.804 176.300 0.015 0.000 1.142 43 R CA 2.073 58.179 56.100 0.010 0.000 0.953 43 R CB 0.000 30.299 30.300 -0.001 0.000 0.860 43 R HN 0.797 nan 8.270 nan 0.000 0.438 44 D N -1.161 119.236 120.400 -0.005 0.000 2.484 44 D HA -0.052 4.603 4.640 0.024 0.000 0.206 44 D C -0.327 175.952 176.300 -0.034 0.000 1.322 44 D CA -0.417 53.590 54.000 0.012 0.000 0.913 44 D CB 0.625 41.430 40.800 0.008 0.000 1.559 44 D HN -0.008 nan 8.370 nan 0.000 0.565 45 D N 1.631 122.071 120.400 0.067 0.000 2.292 45 D HA -0.255 4.400 4.640 0.024 0.000 0.205 45 D C 1.183 177.378 176.300 -0.175 0.000 0.994 45 D CA 1.207 55.239 54.000 0.054 0.000 0.897 45 D CB -0.479 40.658 40.800 0.562 0.000 0.907 45 D HN 0.305 nan 8.370 nan 0.000 0.467 46 S N 0.391 116.048 115.700 -0.071 0.000 2.402 46 S HA -0.211 4.273 4.470 0.024 0.000 0.233 46 S C 2.301 176.806 174.600 -0.159 0.000 1.030 46 S CA 2.232 60.381 58.200 -0.085 0.000 1.003 46 S CB -0.625 62.554 63.200 -0.034 0.000 0.813 46 S HN 0.805 nan 8.310 nan 0.000 0.477 47 K N 2.208 122.483 120.400 -0.208 0.000 2.097 47 K HA -0.027 4.307 4.320 0.024 0.000 0.206 47 K C 1.896 178.316 176.600 -0.300 0.000 1.049 47 K CA 1.470 57.627 56.287 -0.217 0.000 0.933 47 K CB -1.677 30.683 32.500 -0.233 0.000 0.717 47 K HN 0.703 nan 8.250 nan 0.000 0.442 48 I N 0.414 120.672 120.570 -0.520 0.000 2.391 48 I HA -0.489 3.696 4.170 0.024 0.000 0.250 48 I C 2.042 177.983 176.117 -0.293 0.000 0.986 48 I CA 3.030 63.969 61.300 -0.602 0.000 1.321 48 I CB -0.571 36.961 38.000 -0.779 0.000 1.004 48 I HN 0.670 nan 8.210 nan 0.000 0.439 49 E N 0.321 120.407 120.200 -0.190 0.000 2.442 49 E HA -0.146 4.218 4.350 0.024 0.000 0.195 49 E C 1.760 178.315 176.600 -0.076 0.000 1.030 49 E CA 0.822 57.162 56.400 -0.101 0.000 0.869 49 E CB -0.142 29.523 29.700 -0.058 0.000 0.857 49 E HN 0.693 nan 8.360 nan 0.000 0.505 50 E N 1.810 121.955 120.200 -0.092 0.000 2.042 50 E HA -0.108 4.257 4.350 0.024 0.000 0.189 50 E C 1.862 178.443 176.600 -0.032 0.000 0.974 50 E CA 1.170 57.555 56.400 -0.026 0.000 0.806 50 E CB 0.016 29.730 29.700 0.024 0.000 0.769 50 E HN 0.178 nan 8.360 nan 0.000 0.451 51 V N 0.368 120.184 119.914 -0.163 0.000 3.451 51 V HA 0.141 4.275 4.120 0.024 0.000 0.332 51 V C 0.510 176.550 176.094 -0.090 0.000 1.198 51 V CA 0.687 62.872 62.300 -0.192 0.000 1.317 51 V CB -0.843 30.724 31.823 -0.426 0.000 1.117 51 V HN 0.171 nan 8.190 nan 0.000 0.421 52 K N -0.394 119.981 120.400 -0.042 0.000 2.424 52 K HA 0.290 4.625 4.320 0.024 0.000 0.198 52 K C 1.780 178.390 176.600 0.016 0.000 1.190 52 K CA 0.051 56.337 56.287 -0.002 0.000 0.935 52 K CB 0.147 32.649 32.500 0.004 0.000 1.087 52 K HN 0.320 nan 8.250 nan 0.000 0.524 53 K N 1.242 121.651 120.400 0.015 0.000 2.442 53 K HA -0.046 4.289 4.320 0.024 0.000 0.199 53 K C 0.138 176.754 176.600 0.027 0.000 1.044 53 K CA 0.587 56.887 56.287 0.021 0.000 0.941 53 K CB -0.430 32.081 32.500 0.019 0.000 0.759 53 K HN 0.087 nan 8.250 nan 0.000 0.472 54 I N 2.469 123.059 120.570 0.034 0.000 3.136 54 I HA -0.167 4.017 4.170 0.024 0.000 0.298 54 I C 0.928 177.062 176.117 0.028 0.000 1.232 54 I CA 0.796 62.118 61.300 0.035 0.000 1.379 54 I CB -0.197 37.828 38.000 0.040 0.000 1.411 54 I HN -0.007 nan 8.210 nan 0.000 0.532 55 T N 4.319 118.886 114.554 0.022 0.000 2.902 55 T HA 0.760 5.125 4.350 0.024 0.000 0.280 55 T C 0.335 175.045 174.700 0.017 0.000 0.992 55 T CA -0.021 62.091 62.100 0.019 0.000 1.015 55 T CB 1.156 70.033 68.868 0.014 0.000 1.044 55 T HN 0.698 nan 8.240 nan 0.000 0.520 56 G N 0.385 109.196 108.800 0.019 0.000 3.251 56 G HA2 0.622 4.597 3.960 0.024 0.000 0.248 56 G HA3 0.622 4.597 3.960 0.024 0.000 0.248 56 G C -1.238 173.671 174.900 0.015 0.000 1.320 56 G CA -0.677 44.433 45.100 0.018 0.000 0.982 56 G HN 0.814 nan 8.290 nan 0.000 0.575 57 E N -0.926 119.283 120.200 0.016 0.000 2.716 57 E HA 0.245 4.609 4.350 0.024 0.000 0.379 57 E C -0.349 176.260 176.600 0.014 0.000 0.969 57 E CA -0.463 55.944 56.400 0.012 0.000 0.735 57 E CB 0.638 30.340 29.700 0.003 0.000 1.498 57 E HN 0.523 nan 8.360 nan 0.000 0.395 58 R N 1.647 122.164 120.500 0.028 0.000 2.641 58 R HA 0.318 4.672 4.340 0.024 0.000 0.197 58 R C 0.692 177.008 176.300 0.027 0.000 1.408 58 R CA -0.236 55.887 56.100 0.038 0.000 1.040 58 R CB -0.146 30.195 30.300 0.069 0.000 2.279 58 R HN 0.689 nan 8.270 nan 0.000 0.520 59 H N -0.837 118.228 119.070 -0.007 0.000 2.463 59 H HA -0.224 4.347 4.556 0.024 0.000 0.290 59 H C 0.510 175.831 175.328 -0.011 0.000 1.083 59 H CA 2.079 58.120 56.048 -0.012 0.000 1.062 59 H CB -0.595 29.152 29.762 -0.025 0.000 1.287 59 H HN 0.765 nan 8.280 nan 0.000 0.568 60 G N -1.182 107.597 108.800 -0.034 0.000 2.141 60 G HA2 -0.229 3.746 3.960 0.024 0.000 0.164 60 G HA3 -0.229 3.746 3.960 0.024 0.000 0.164 60 G C -0.011 174.907 174.900 0.029 0.000 1.009 60 G CA 0.081 45.170 45.100 -0.019 0.000 0.677 60 G HN 0.671 nan 8.290 nan 0.000 0.508 61 K N -0.699 119.726 120.400 0.042 0.000 2.522 61 K HA 0.772 5.106 4.320 0.024 0.000 0.275 61 K C -0.972 175.645 176.600 0.029 0.000 1.006 61 K CA -1.137 55.174 56.287 0.039 0.000 0.890 61 K CB 1.197 33.728 32.500 0.051 0.000 1.475 61 K HN 0.037 nan 8.250 nan 0.000 0.441 62 I N 2.809 123.392 120.570 0.022 0.000 2.312 62 I HA 0.194 4.379 4.170 0.024 0.000 0.291 62 I C -0.486 175.644 176.117 0.022 0.000 1.031 62 I CA -0.463 60.848 61.300 0.019 0.000 1.293 62 I CB 1.202 39.211 38.000 0.015 0.000 1.403 62 I HN 0.259 nan 8.210 nan 0.000 0.484 63 V N 5.875 125.805 119.914 0.026 0.000 2.785 63 V HA 0.687 4.822 4.120 0.024 0.000 0.300 63 V C 0.220 176.332 176.094 0.031 0.000 1.062 63 V CA -0.767 61.553 62.300 0.032 0.000 1.029 63 V CB 1.303 33.149 31.823 0.038 0.000 1.024 63 V HN 0.882 nan 8.190 nan 0.000 0.477 64 R N 2.455 122.977 120.500 0.036 0.000 2.870 64 R HA 0.660 5.014 4.340 0.024 0.000 0.262 64 R C -1.615 174.713 176.300 0.047 0.000 1.112 64 R CA -0.926 55.196 56.100 0.036 0.000 0.976 64 R CB 1.904 32.222 30.300 0.030 0.000 1.261 64 R HN 0.740 nan 8.270 nan 0.000 0.453 65 I N 3.652 124.252 120.570 0.050 0.000 2.361 65 I HA 0.283 4.467 4.170 0.024 0.000 0.282 65 I C -0.827 175.337 176.117 0.077 0.000 1.075 65 I CA -0.783 60.558 61.300 0.067 0.000 1.205 65 I CB 0.988 39.025 38.000 0.063 0.000 1.406 65 I HN 0.346 nan 8.210 nan 0.000 0.481 66 V N 6.032 125.996 119.914 0.085 0.000 3.051 66 V HA 0.058 4.192 4.120 0.024 0.000 0.306 66 V C 0.339 176.502 176.094 0.115 0.000 1.083 66 V CA -0.584 61.762 62.300 0.077 0.000 1.104 66 V CB 0.237 32.092 31.823 0.054 0.000 1.027 66 V HN 0.741 nan 8.190 nan 0.000 0.483 67 D N 0.926 121.369 120.400 0.072 0.000 2.635 67 D HA -0.144 4.510 4.640 0.024 0.000 0.072 67 D C -0.431 176.001 176.300 0.220 0.000 0.875 67 D CA 0.733 54.780 54.000 0.078 0.000 0.320 67 D CB 0.090 40.856 40.800 -0.058 0.000 0.805 67 D HN 0.387 nan 8.370 nan 0.000 0.306 68 V N 1.907 121.960 119.914 0.231 0.000 2.670 68 V HA 0.059 4.194 4.120 0.024 0.000 0.258 68 V C 0.361 176.668 176.094 0.356 0.000 0.906 68 V CA -0.628 61.868 62.300 0.326 0.000 0.887 68 V CB 1.032 33.010 31.823 0.257 0.000 1.059 68 V HN 0.559 nan 8.190 nan 0.000 0.484 69 E N 3.031 123.435 120.200 0.340 0.000 2.319 69 E HA 0.401 4.765 4.350 0.024 0.000 0.268 69 E C -0.330 176.344 176.600 0.123 0.000 1.050 69 E CA -0.805 55.740 56.400 0.241 0.000 0.878 69 E CB 1.879 31.679 29.700 0.166 0.000 1.066 69 E HN 0.456 nan 8.360 nan 0.000 0.406 70 K N 2.412 122.716 120.400 -0.160 0.000 2.298 70 K HA 0.262 4.597 4.320 0.024 0.000 0.280 70 K C -1.100 175.206 176.600 -0.489 0.000 1.032 70 K CA -0.484 55.300 56.287 -0.838 0.000 0.958 70 K CB 0.963 32.556 32.500 -1.512 0.000 0.978 70 K HN 0.443 nan 8.250 nan 0.000 0.472 71 V N 2.550 122.179 119.914 -0.475 0.000 3.141 71 V HA 0.297 4.431 4.120 0.024 0.000 0.312 71 V C -1.506 174.413 176.094 -0.292 0.000 1.157 71 V CA -0.995 61.139 62.300 -0.276 0.000 1.041 71 V CB 2.222 33.963 31.823 -0.137 0.000 1.071 71 V HN 0.900 nan 8.190 nan 0.000 0.441 72 E N 1.816 121.891 120.200 -0.209 0.000 2.155 72 E HA 0.659 5.023 4.350 0.024 0.000 0.264 72 E C -0.735 175.761 176.600 -0.172 0.000 0.886 72 E CA -0.836 55.457 56.400 -0.178 0.000 0.752 72 E CB 1.651 31.273 29.700 -0.130 0.000 1.133 72 E HN 0.393 nan 8.360 nan 0.000 0.414 73 K N 1.965 122.248 120.400 -0.195 0.000 1.841 73 K HA 0.597 4.931 4.320 0.024 0.000 0.259 73 K C -0.395 176.123 176.600 -0.136 0.000 0.999 73 K CA -0.843 55.328 56.287 -0.194 0.000 1.053 73 K CB 0.574 32.898 32.500 -0.292 0.000 2.249 73 K HN 0.405 nan 8.250 nan 0.000 0.894 74 K N -0.051 120.272 120.400 -0.129 0.000 2.551 74 K HA 0.469 4.803 4.320 0.024 0.000 0.269 74 K C -1.558 175.013 176.600 -0.049 0.000 0.949 74 K CA -0.669 55.573 56.287 -0.075 0.000 0.849 74 K CB 1.913 34.365 32.500 -0.080 0.000 1.411 74 K HN 0.285 nan 8.250 nan 0.000 0.432 75 F N 2.303 122.146 119.950 -0.179 0.000 2.556 75 F HA 0.305 4.847 4.527 0.024 0.000 0.314 75 F C 0.270 176.007 175.800 -0.105 0.000 1.106 75 F CA -0.871 57.008 58.000 -0.201 0.000 0.911 75 F CB 1.152 40.017 39.000 -0.226 0.000 1.190 75 F HN 0.577 nan 8.300 nan 0.000 0.448 76 L N 4.820 125.728 121.223 -0.524 0.000 4.244 76 L HA -0.264 4.091 4.340 0.024 0.000 0.449 76 L C 1.130 177.962 176.870 -0.063 0.000 1.095 76 L CA 2.000 56.696 54.840 -0.240 0.000 0.983 76 L CB -1.569 40.396 42.059 -0.157 0.000 1.840 76 L HN 1.152 nan 8.230 nan 0.000 1.085 77 G N -2.900 105.857 108.800 -0.071 0.000 2.612 77 G HA2 -0.251 3.723 3.960 0.024 0.000 0.200 77 G HA3 -0.251 3.723 3.960 0.024 0.000 0.200 77 G C 0.413 175.312 174.900 -0.001 0.000 1.053 77 G CA 0.023 45.113 45.100 -0.017 0.000 0.707 77 G HN 0.346 nan 8.290 nan 0.000 0.497 78 K N 2.709 123.124 120.400 0.025 0.000 2.447 78 K HA 0.349 4.684 4.320 0.024 0.000 0.281 78 K C -2.339 174.275 176.600 0.023 0.000 1.031 78 K CA -1.120 55.190 56.287 0.039 0.000 1.019 78 K CB 0.722 33.268 32.500 0.077 0.000 0.918 78 K HN 0.139 nan 8.250 nan 0.000 0.476 79 P HA 0.214 nan 4.420 nan 0.000 0.275 79 P C -0.804 176.486 177.300 -0.015 0.000 1.227 79 P CA -0.091 62.999 63.100 -0.017 0.000 0.781 79 P CB 0.644 32.332 31.700 -0.019 0.000 0.906 80 I N 0.803 121.348 120.570 -0.042 0.000 2.743 80 I HA 0.254 4.438 4.170 0.024 0.000 0.292 80 I C -0.405 175.657 176.117 -0.092 0.000 1.343 80 I CA -0.286 60.985 61.300 -0.048 0.000 1.038 80 I CB 2.377 40.355 38.000 -0.035 0.000 1.311 80 I HN 0.218 nan 8.210 nan 0.000 0.426 81 T N 6.185 120.692 114.554 -0.077 0.000 2.882 81 T HA 0.831 5.196 4.350 0.024 0.000 0.287 81 T C -0.689 173.933 174.700 -0.130 0.000 0.992 81 T CA -0.136 61.889 62.100 -0.125 0.000 1.076 81 T CB 0.804 69.618 68.868 -0.090 0.000 0.961 81 T HN 0.699 nan 8.240 nan 0.000 0.490 82 V N 1.429 121.188 119.914 -0.258 0.000 3.226 82 V HA 0.743 4.878 4.120 0.024 0.000 0.304 82 V C -1.957 173.913 176.094 -0.374 0.000 1.336 82 V CA -1.650 60.546 62.300 -0.174 0.000 1.066 82 V CB 1.387 33.196 31.823 -0.023 0.000 1.087 82 V HN 0.943 nan 8.190 nan 0.000 0.451 83 W N 1.087 122.468 121.300 0.136 0.000 2.283 83 W HA 0.619 5.293 4.660 0.024 0.000 0.317 83 W C 0.391 177.050 176.519 0.233 0.000 1.042 83 W CA -0.429 57.007 57.345 0.152 0.000 1.348 83 W CB 1.145 30.657 29.460 0.087 0.000 1.216 83 W HN 0.632 nan 8.180 nan 0.000 0.404 84 K N 4.984 125.550 120.400 0.277 0.000 2.315 84 K HA 0.238 4.572 4.320 0.024 0.000 0.291 84 K C -0.594 176.036 176.600 0.050 0.000 1.074 84 K CA -0.253 56.107 56.287 0.122 0.000 0.936 84 K CB 0.011 32.448 32.500 -0.105 0.000 1.049 84 K HN 0.527 nan 8.250 nan 0.000 0.471 85 L N 4.984 126.259 121.223 0.087 0.000 2.259 85 L HA 0.342 4.697 4.340 0.024 0.000 0.288 85 L C -0.439 176.480 176.870 0.082 0.000 1.051 85 L CA -1.094 53.830 54.840 0.140 0.000 0.824 85 L CB -0.178 41.970 42.059 0.147 0.000 1.206 85 L HN 0.400 nan 8.230 nan 0.000 0.429 86 Y N 3.309 123.665 120.300 0.093 0.000 2.289 86 Y HA 0.591 5.155 4.550 0.024 0.000 0.332 86 Y C 0.397 176.331 175.900 0.058 0.000 1.324 86 Y CA -0.195 57.946 58.100 0.069 0.000 1.478 86 Y CB 0.778 39.245 38.460 0.011 0.000 1.378 86 Y HN 0.410 nan 8.280 nan 0.000 0.558 87 L N -0.920 120.445 121.223 0.236 0.000 2.363 87 L HA 0.391 4.745 4.340 0.024 0.000 0.239 87 L C 0.738 177.656 176.870 0.081 0.000 1.172 87 L CA -0.593 54.325 54.840 0.129 0.000 1.126 87 L CB 1.069 43.184 42.059 0.094 0.000 1.616 87 L HN 0.601 nan 8.230 nan 0.000 0.457 88 E N -1.254 118.979 120.200 0.055 0.000 2.357 88 E HA 0.101 4.465 4.350 0.024 0.000 0.202 88 E C -0.331 176.283 176.600 0.023 0.000 0.855 88 E CA 0.278 56.703 56.400 0.042 0.000 1.048 88 E CB 0.416 30.148 29.700 0.054 0.000 1.037 88 E HN 0.538 nan 8.360 nan 0.000 0.499 89 H N -0.122 118.885 119.070 -0.104 0.000 2.637 89 H HA 0.331 4.902 4.556 0.024 0.000 0.363 89 H C -2.163 173.031 175.328 -0.223 0.000 1.131 89 H CA -2.425 53.504 56.048 -0.198 0.000 1.183 89 H CB 2.426 32.125 29.762 -0.105 0.000 1.637 89 H HN -0.096 nan 8.280 nan 0.000 0.531 90 P HA -0.104 nan 4.420 nan 0.000 0.242 90 P C 0.096 177.343 177.300 -0.090 0.000 1.198 90 P CA 0.822 63.669 63.100 -0.422 0.000 0.756 90 P CB 0.435 31.739 31.700 -0.660 0.000 0.911 91 Q N -0.909 118.956 119.800 0.107 0.000 2.319 91 Q HA 0.039 4.394 4.340 0.024 0.000 0.209 91 Q C 0.824 176.906 176.000 0.136 0.000 0.884 91 Q CA 0.408 56.329 55.803 0.196 0.000 0.938 91 Q CB 0.006 28.933 28.738 0.316 0.000 1.098 91 Q HN 0.275 nan 8.270 nan 0.000 0.517 92 D N 0.783 121.254 120.400 0.119 0.000 2.312 92 D HA -0.071 4.584 4.640 0.024 0.000 0.211 92 D C 1.956 178.296 176.300 0.066 0.000 0.964 92 D CA 0.470 54.521 54.000 0.085 0.000 0.877 92 D CB 0.233 41.081 40.800 0.079 0.000 0.924 92 D HN 0.036 nan 8.370 nan 0.000 0.515 93 V N 1.129 121.081 119.914 0.064 0.000 2.244 93 V HA -0.149 3.985 4.120 0.024 0.000 0.244 93 V C -0.759 175.372 176.094 0.061 0.000 1.042 93 V CA 1.288 63.626 62.300 0.063 0.000 1.006 93 V CB -1.969 29.895 31.823 0.068 0.000 0.641 93 V HN 0.126 nan 8.190 nan 0.000 0.446 94 P HA -0.037 nan 4.420 nan 0.000 0.236 94 P C 1.190 178.512 177.300 0.036 0.000 1.172 94 P CA 1.335 64.471 63.100 0.059 0.000 0.759 94 P CB -0.113 31.631 31.700 0.074 0.000 0.843 95 T N -1.805 112.772 114.554 0.038 0.000 2.975 95 T HA 0.161 4.526 4.350 0.024 0.000 0.257 95 T C 1.151 175.862 174.700 0.019 0.000 1.003 95 T CA -0.123 61.993 62.100 0.026 0.000 0.932 95 T CB -0.083 68.806 68.868 0.036 0.000 1.087 95 T HN -0.016 nan 8.240 nan 0.000 0.512 96 L N 2.284 123.521 121.223 0.023 0.000 2.265 96 L HA 0.193 4.547 4.340 0.024 0.000 0.195 96 L C 2.552 179.421 176.870 -0.001 0.000 1.083 96 L CA 1.452 56.303 54.840 0.019 0.000 0.798 96 L CB -0.698 41.383 42.059 0.036 0.000 0.989 96 L HN 0.193 nan 8.230 nan 0.000 0.472 97 R N 0.192 120.684 120.500 -0.013 0.000 2.189 97 R HA -0.257 4.098 4.340 0.024 0.000 0.252 97 R C 1.699 177.938 176.300 -0.101 0.000 1.134 97 R CA 2.079 58.141 56.100 -0.064 0.000 0.954 97 R CB -1.040 29.193 30.300 -0.112 0.000 0.890 97 R HN 0.297 nan 8.270 nan 0.000 0.443 98 E N 1.011 121.152 120.200 -0.097 0.000 2.097 98 E HA -0.152 4.212 4.350 0.024 0.000 0.196 98 E C 1.882 178.446 176.600 -0.059 0.000 1.000 98 E CA 1.337 57.679 56.400 -0.097 0.000 0.804 98 E CB -0.201 29.453 29.700 -0.076 0.000 0.740 98 E HN 0.439 nan 8.360 nan 0.000 0.454 99 K N 0.481 120.861 120.400 -0.032 0.000 2.160 99 K HA -0.111 4.223 4.320 0.024 0.000 0.206 99 K C 2.228 178.834 176.600 0.010 0.000 1.047 99 K CA 1.159 57.441 56.287 -0.008 0.000 0.930 99 K CB -0.427 32.076 32.500 0.005 0.000 0.720 99 K HN 0.113 nan 8.250 nan 0.000 0.450 100 V N 1.755 121.663 119.914 -0.010 0.000 2.379 100 V HA -0.160 3.975 4.120 0.024 0.000 0.243 100 V C 2.306 178.384 176.094 -0.026 0.000 1.035 100 V CA 1.530 63.827 62.300 -0.005 0.000 1.035 100 V CB -0.662 31.149 31.823 -0.021 0.000 0.673 100 V HN 0.329 nan 8.190 nan 0.000 0.457 101 R N 1.316 121.766 120.500 -0.084 0.000 2.293 101 R HA -0.075 4.279 4.340 0.024 0.000 0.219 101 R C 1.433 177.703 176.300 -0.050 0.000 1.091 101 R CA 1.380 57.422 56.100 -0.097 0.000 1.004 101 R CB -0.501 29.698 30.300 -0.169 0.000 0.865 101 R HN 0.547 nan 8.270 nan 0.000 0.469 102 E N 0.616 120.799 120.200 -0.028 0.000 2.465 102 E HA -0.008 4.356 4.350 0.024 0.000 0.191 102 E C -0.281 176.336 176.600 0.029 0.000 1.053 102 E CA -0.130 56.261 56.400 -0.015 0.000 0.869 102 E CB 0.132 29.812 29.700 -0.032 0.000 0.977 102 E HN 0.288 nan 8.360 nan 0.000 0.483 103 H N 0.764 119.801 119.070 -0.054 0.000 2.527 103 H HA 0.119 4.690 4.556 0.024 0.000 0.321 103 H C -1.944 173.356 175.328 -0.047 0.000 1.087 103 H CA -2.519 53.501 56.048 -0.048 0.000 1.337 103 H CB 1.608 31.342 29.762 -0.048 0.000 1.440 103 H HN -0.188 nan 8.280 nan 0.000 0.490 104 P HA -0.170 nan 4.420 nan 0.000 0.217 104 P C 0.884 178.298 177.300 0.190 0.000 1.148 104 P CA 2.225 65.415 63.100 0.150 0.000 0.834 104 P CB 0.165 31.874 31.700 0.015 0.000 0.783 105 A N -1.013 121.996 122.820 0.316 0.000 2.067 105 A HA 0.060 4.395 4.320 0.024 0.000 0.217 105 A C 0.936 178.491 177.584 -0.048 0.000 1.156 105 A CA 0.530 52.583 52.037 0.027 0.000 0.683 105 A CB -0.913 18.016 19.000 -0.119 0.000 0.808 105 A HN 0.172 nan 8.150 nan 0.000 0.455 106 V N -1.862 118.024 119.914 -0.047 0.000 2.407 106 V HA 0.446 4.581 4.120 0.024 0.000 0.278 106 V C 1.139 177.216 176.094 -0.028 0.000 1.037 106 V CA -0.543 61.725 62.300 -0.053 0.000 0.900 106 V CB 0.888 32.662 31.823 -0.083 0.000 0.983 106 V HN 0.021 nan 8.190 nan 0.000 0.459 107 V N 2.599 122.496 119.914 -0.028 0.000 2.300 107 V HA 0.101 4.236 4.120 0.024 0.000 0.241 107 V C 0.847 176.884 176.094 -0.095 0.000 1.034 107 V CA 1.747 64.024 62.300 -0.038 0.000 1.021 107 V CB -0.382 31.433 31.823 -0.014 0.000 0.662 107 V HN 1.093 nan 8.190 nan 0.000 0.458 108 D N -1.559 118.753 120.400 -0.147 0.000 2.583 108 D HA 0.500 5.154 4.640 0.024 0.000 0.248 108 D C -1.371 174.666 176.300 -0.439 0.000 1.209 108 D CA -0.408 53.382 54.000 -0.351 0.000 0.848 108 D CB 2.986 43.455 40.800 -0.551 0.000 1.431 108 D HN 0.235 nan 8.370 nan 0.000 0.436 109 I N -1.511 118.737 120.570 -0.537 0.000 2.646 109 I HA 0.726 4.910 4.170 0.024 0.000 0.299 109 I C -1.302 174.586 176.117 -0.382 0.000 1.036 109 I CA -0.650 60.479 61.300 -0.285 0.000 1.074 109 I CB 1.828 39.758 38.000 -0.116 0.000 1.258 109 I HN 0.090 nan 8.210 nan 0.000 0.430 110 F N 0.796 120.961 119.950 0.358 0.000 2.629 110 F HA 0.460 5.001 4.527 0.024 0.000 0.316 110 F C 0.237 176.114 175.800 0.130 0.000 1.081 110 F CA -0.633 57.524 58.000 0.262 0.000 0.954 110 F CB 1.406 40.553 39.000 0.245 0.000 1.337 110 F HN 0.675 nan 8.300 nan 0.000 0.474 111 E N 0.207 120.472 120.200 0.107 0.000 2.328 111 E HA -0.295 4.070 4.350 0.024 0.000 0.233 111 E C -0.259 176.259 176.600 -0.136 0.000 1.219 111 E CA 0.823 57.182 56.400 -0.069 0.000 0.717 111 E CB -1.646 28.060 29.700 0.011 0.000 1.210 111 E HN 0.760 nan 8.360 nan 0.000 0.381 112 Y N -1.123 119.192 120.300 0.026 0.000 2.461 112 Y HA 0.215 4.779 4.550 0.023 0.000 0.277 112 Y C 0.984 176.898 175.900 0.022 0.000 1.182 112 Y CA 0.269 58.367 58.100 -0.005 0.000 1.276 112 Y CB 0.288 38.746 38.460 -0.002 0.000 1.087 112 Y HN 0.008 nan 8.280 nan 0.000 0.519 113 D N -0.954 119.436 120.400 -0.016 0.000 2.594 113 D HA 0.113 4.767 4.640 0.024 0.000 0.256 113 D C -0.105 176.276 176.300 0.136 0.000 1.393 113 D CA -0.129 53.934 54.000 0.105 0.000 0.797 113 D CB -0.353 40.517 40.800 0.116 0.000 1.110 113 D HN 0.149 nan 8.370 nan 0.000 0.495 114 I N 2.330 122.972 120.570 0.120 0.000 2.505 114 I HA 0.190 4.375 4.170 0.024 0.000 0.287 114 I C -1.932 174.326 176.117 0.235 0.000 1.104 114 I CA -1.596 59.847 61.300 0.238 0.000 1.387 114 I CB -0.188 37.929 38.000 0.194 0.000 1.404 114 I HN -0.289 nan 8.210 nan 0.000 0.528 115 P HA -0.031 nan 4.420 nan 0.000 0.266 115 P C 0.772 178.222 177.300 0.250 0.000 1.195 115 P CA -0.024 63.220 63.100 0.240 0.000 0.768 115 P CB 0.514 32.328 31.700 0.189 0.000 0.838 116 F N 3.983 123.999 119.950 0.111 0.000 2.027 116 F HA -0.318 4.223 4.527 0.024 0.000 0.297 116 F C 2.157 178.049 175.800 0.152 0.000 1.129 116 F CA 2.482 60.534 58.000 0.086 0.000 1.195 116 F CB -0.947 37.961 39.000 -0.153 0.000 0.960 116 F HN 0.370 nan 8.300 nan 0.000 0.485 117 A N -0.645 122.255 122.820 0.134 0.000 2.070 117 A HA -0.173 4.162 4.320 0.024 0.000 0.220 117 A C 2.214 179.786 177.584 -0.021 0.000 1.159 117 A CA 1.640 53.680 52.037 0.005 0.000 0.656 117 A CB -0.636 18.435 19.000 0.118 0.000 0.800 117 A HN 0.509 nan 8.150 nan 0.000 0.453 118 K N -1.001 119.386 120.400 -0.022 0.000 2.137 118 K HA -0.066 4.268 4.320 0.024 0.000 0.202 118 K C 2.265 178.838 176.600 -0.045 0.000 1.052 118 K CA 0.984 57.206 56.287 -0.109 0.000 0.961 118 K CB -0.050 32.270 32.500 -0.301 0.000 0.741 118 K HN 0.323 nan 8.250 nan 0.000 0.452 119 R N 0.751 121.264 120.500 0.022 0.000 2.096 119 R HA -0.177 4.178 4.340 0.024 0.000 0.235 119 R C 1.892 178.149 176.300 -0.072 0.000 1.127 119 R CA 1.496 57.635 56.100 0.064 0.000 0.968 119 R CB -0.999 29.398 30.300 0.161 0.000 0.861 119 R HN 0.236 nan 8.270 nan 0.000 0.440 120 Y N 0.600 120.673 120.300 -0.379 0.000 2.089 120 Y HA -0.154 4.410 4.550 0.024 0.000 0.282 120 Y C 1.869 177.475 175.900 -0.491 0.000 1.139 120 Y CA 2.303 59.960 58.100 -0.739 0.000 1.123 120 Y CB -0.312 37.676 38.460 -0.787 0.000 0.980 120 Y HN 0.055 nan 8.280 nan 0.000 0.493 121 L N -0.488 120.616 121.223 -0.198 0.000 2.083 121 L HA -0.237 4.118 4.340 0.024 0.000 0.209 121 L C 2.401 179.107 176.870 -0.273 0.000 1.083 121 L CA 1.361 56.068 54.840 -0.221 0.000 0.752 121 L CB -0.598 41.415 42.059 -0.078 0.000 0.899 121 L HN 0.310 nan 8.230 nan 0.000 0.433 122 I N -0.036 120.393 120.570 -0.236 0.000 2.202 122 I HA -0.280 3.904 4.170 0.024 0.000 0.242 122 I C 1.993 177.763 176.117 -0.578 0.000 1.091 122 I CA 1.349 62.494 61.300 -0.259 0.000 1.368 122 I CB -0.312 37.608 38.000 -0.133 0.000 1.058 122 I HN 0.221 nan 8.210 nan 0.000 0.410 123 D N 0.474 120.447 120.400 -0.711 0.000 2.219 123 D HA -0.173 4.482 4.640 0.024 0.000 0.205 123 D C 1.958 177.940 176.300 -0.530 0.000 0.970 123 D CA 1.134 54.539 54.000 -0.991 0.000 0.851 123 D CB -0.074 40.520 40.800 -0.344 0.000 0.943 123 D HN 0.156 nan 8.370 nan 0.000 0.488 124 K N -0.713 119.361 120.400 -0.543 0.000 2.374 124 K HA 0.173 4.508 4.320 0.024 0.000 0.196 124 K C 0.952 177.396 176.600 -0.261 0.000 1.023 124 K CA 0.468 56.498 56.287 -0.429 0.000 1.103 124 K CB 0.427 32.490 32.500 -0.728 0.000 0.848 124 K HN 0.092 nan 8.250 nan 0.000 0.528 125 G N 1.340 109.999 108.800 -0.236 0.000 2.168 125 G HA2 -0.277 3.698 3.960 0.024 0.000 0.257 125 G HA3 -0.277 3.698 3.960 0.024 0.000 0.257 125 G C -0.136 174.703 174.900 -0.102 0.000 0.997 125 G CA 0.409 45.437 45.100 -0.119 0.000 0.708 125 G HN 0.213 nan 8.290 nan 0.000 0.520 126 L N 0.611 121.748 121.223 -0.143 0.000 2.380 126 L HA 0.507 4.861 4.340 0.024 0.000 0.273 126 L C 0.554 177.395 176.870 -0.049 0.000 1.138 126 L CA -0.742 54.045 54.840 -0.088 0.000 0.832 126 L CB 0.771 42.774 42.059 -0.093 0.000 1.124 126 L HN -0.043 nan 8.230 nan 0.000 0.454 127 I N 3.582 124.139 120.570 -0.022 0.000 2.389 127 I HA 0.418 4.603 4.170 0.024 0.000 0.288 127 I C -2.159 173.960 176.117 0.004 0.000 0.999 127 I CA -2.546 58.751 61.300 -0.004 0.000 1.129 127 I CB 1.295 39.299 38.000 0.006 0.000 1.288 127 I HN 0.279 nan 8.210 nan 0.000 0.444 128 P HA 0.277 nan 4.420 nan 0.000 0.274 128 P C 0.121 177.425 177.300 0.007 0.000 1.256 128 P CA -0.304 62.804 63.100 0.013 0.000 0.795 128 P CB 0.375 32.082 31.700 0.013 0.000 1.038 129 M N -1.367 118.238 119.600 0.008 0.000 2.333 129 M HA -0.232 4.263 4.480 0.024 0.000 0.199 129 M C 0.767 177.065 176.300 -0.004 0.000 0.376 129 M CA 0.843 56.141 55.300 -0.004 0.000 0.440 129 M CB -2.721 29.863 32.600 -0.026 0.000 1.506 129 M HN 0.554 nan 8.290 nan 0.000 0.889 130 E N 0.040 120.243 120.200 0.005 0.000 2.033 130 E HA 0.128 4.492 4.350 0.024 0.000 0.189 130 E C 1.702 178.305 176.600 0.004 0.000 0.979 130 E CA 0.949 57.351 56.400 0.004 0.000 0.802 130 E CB 0.085 29.788 29.700 0.005 0.000 0.763 130 E HN 0.714 nan 8.360 nan 0.000 0.449 131 G N 0.460 109.265 108.800 0.008 0.000 2.196 131 G HA2 -0.184 3.790 3.960 0.024 0.000 0.448 131 G HA3 -0.184 3.790 3.960 0.024 0.000 0.448 131 G C 0.192 175.096 174.900 0.007 0.000 1.369 131 G CA -0.056 45.050 45.100 0.009 0.000 1.136 131 G HN 0.235 nan 8.290 nan 0.000 0.607 132 E N 0.254 120.461 120.200 0.011 0.000 3.428 132 E HA 0.144 4.509 4.350 0.024 0.000 0.286 132 E C -0.687 175.923 176.600 0.016 0.000 1.204 132 E CA -0.208 56.199 56.400 0.011 0.000 1.015 132 E CB 0.285 29.992 29.700 0.012 0.000 1.370 132 E HN 0.513 nan 8.360 nan 0.000 0.391 133 E N 0.648 120.858 120.200 0.018 0.000 2.222 133 E HA 0.221 4.586 4.350 0.024 0.000 0.267 133 E C -0.172 176.443 176.600 0.024 0.000 0.963 133 E CA -0.674 55.741 56.400 0.025 0.000 0.837 133 E CB 1.912 31.632 29.700 0.033 0.000 1.183 133 E HN 0.281 nan 8.360 nan 0.000 0.403 134 E N 2.624 122.841 120.200 0.029 0.000 2.052 134 E HA 0.197 4.562 4.350 0.024 0.000 0.283 134 E C -0.635 175.985 176.600 0.033 0.000 1.071 134 E CA -0.291 56.128 56.400 0.031 0.000 0.851 134 E CB 0.289 30.011 29.700 0.036 0.000 1.066 134 E HN 0.318 nan 8.360 nan 0.000 0.396 135 L N 3.798 125.038 121.223 0.028 0.000 2.453 135 L HA 0.310 4.664 4.340 0.024 0.000 0.261 135 L C 0.700 177.599 176.870 0.047 0.000 1.179 135 L CA -0.505 54.354 54.840 0.031 0.000 0.813 135 L CB 0.708 42.776 42.059 0.016 0.000 1.110 135 L HN 0.470 nan 8.230 nan 0.000 0.466 136 K N 2.417 122.846 120.400 0.048 0.000 2.293 136 K HA 0.476 4.811 4.320 0.024 0.000 0.267 136 K C -1.000 175.656 176.600 0.094 0.000 1.010 136 K CA -0.677 55.647 56.287 0.063 0.000 0.875 136 K CB 1.535 34.055 32.500 0.033 0.000 1.106 136 K HN 0.270 nan 8.250 nan 0.000 0.450 137 I N 3.758 124.421 120.570 0.155 0.000 2.460 137 I HA 0.376 4.561 4.170 0.024 0.000 0.298 137 I C -0.646 175.634 176.117 0.273 0.000 0.989 137 I CA -0.821 60.619 61.300 0.233 0.000 1.173 137 I CB 1.396 39.566 38.000 0.283 0.000 1.338 137 I HN 0.313 nan 8.210 nan 0.000 0.456 138 L N 6.035 127.427 121.223 0.281 0.000 2.493 138 L HA 0.927 5.281 4.340 0.024 0.000 0.265 138 L C -1.169 175.922 176.870 0.368 0.000 0.954 138 L CA -0.376 54.616 54.840 0.254 0.000 0.844 138 L CB 1.578 43.723 42.059 0.144 0.000 1.302 138 L HN 0.698 nan 8.230 nan 0.000 0.405 139 A N 3.880 126.931 122.820 0.384 0.000 2.384 139 A HA 0.977 5.312 4.320 0.024 0.000 0.312 139 A C -1.292 176.542 177.584 0.418 0.000 1.113 139 A CA -0.321 51.950 52.037 0.390 0.000 0.779 139 A CB 1.282 20.509 19.000 0.379 0.000 1.307 139 A HN 1.204 nan 8.150 nan 0.000 0.436 140 F N -0.429 119.617 119.950 0.160 0.000 2.693 140 F HA 0.806 5.348 4.527 0.025 0.000 0.309 140 F C -1.577 174.202 175.800 -0.034 0.000 1.129 140 F CA -0.809 57.226 58.000 0.059 0.000 0.948 140 F CB 1.380 40.406 39.000 0.044 0.000 1.315 140 F HN 0.568 nan 8.300 nan 0.000 0.447 141 D N 1.336 121.604 120.400 -0.220 0.000 2.570 141 D HA 0.682 5.336 4.640 0.024 0.000 0.244 141 D C -1.450 174.765 176.300 -0.142 0.000 1.178 141 D CA -0.243 53.591 54.000 -0.276 0.000 0.881 141 D CB 2.623 43.292 40.800 -0.217 0.000 1.453 141 D HN 0.854 nan 8.370 nan 0.000 0.447 142 I N -1.474 119.018 120.570 -0.130 0.000 3.002 142 I HA 0.775 4.959 4.170 0.024 0.000 0.310 142 I C -1.073 174.994 176.117 -0.084 0.000 1.087 142 I CA -0.494 60.733 61.300 -0.120 0.000 1.017 142 I CB 2.203 40.098 38.000 -0.174 0.000 1.226 142 I HN 0.037 nan 8.210 nan 0.000 0.443 143 E N 2.062 122.206 120.200 -0.094 0.000 2.292 143 E HA 0.594 4.958 4.350 0.024 0.000 0.272 143 E C -1.009 175.548 176.600 -0.072 0.000 0.881 143 E CA -0.571 55.794 56.400 -0.058 0.000 0.754 143 E CB 2.243 31.903 29.700 -0.067 0.000 1.201 143 E HN 0.821 nan 8.360 nan 0.000 0.425 144 T N 0.865 115.389 114.554 -0.051 0.000 2.768 144 T HA 0.687 5.052 4.350 0.024 0.000 0.268 144 T C -0.604 174.122 174.700 0.044 0.000 0.969 144 T CA -0.660 61.409 62.100 -0.051 0.000 1.008 144 T CB 0.611 69.395 68.868 -0.140 0.000 1.371 144 T HN 0.358 nan 8.240 nan 0.000 0.587 145 L N 0.068 121.348 121.223 0.095 0.000 2.404 145 L HA 0.603 4.958 4.340 0.024 0.000 0.272 145 L C -0.947 176.036 176.870 0.189 0.000 0.980 145 L CA -1.191 53.718 54.840 0.116 0.000 0.836 145 L CB 0.651 42.748 42.059 0.063 0.000 1.238 145 L HN 0.599 nan 8.230 nan 0.000 0.408 146 Y N 3.410 123.794 120.300 0.139 0.000 2.585 146 Y HA 0.375 4.941 4.550 0.026 0.000 0.354 146 Y C 1.032 177.057 175.900 0.209 0.000 1.024 146 Y CA 0.026 58.232 58.100 0.178 0.000 1.321 146 Y CB -0.264 38.277 38.460 0.135 0.000 1.151 146 Y HN 0.891 nan 8.280 nan 0.000 0.525 147 H N 2.901 121.737 119.070 -0.390 0.000 2.261 147 H HA -0.136 4.434 4.556 0.025 0.000 0.394 147 H C 1.415 176.408 175.328 -0.559 0.000 2.291 147 H CA 1.527 57.365 56.048 -0.351 0.000 1.371 147 H CB 0.699 30.343 29.762 -0.196 0.000 1.530 147 H HN 0.782 nan 8.280 nan 0.000 0.476 148 E N -0.595 119.044 120.200 -0.937 0.000 2.274 148 E HA 0.098 4.463 4.350 0.024 0.000 0.194 148 E C 0.370 176.675 176.600 -0.491 0.000 0.996 148 E CA 1.008 57.021 56.400 -0.646 0.000 0.840 148 E CB -0.204 29.090 29.700 -0.675 0.000 0.772 148 E HN 0.644 nan 8.360 nan 0.000 0.491 149 G N -0.283 108.164 108.800 -0.588 0.000 2.788 149 G HA2 0.419 4.394 3.960 0.024 0.000 0.293 149 G HA3 0.419 4.394 3.960 0.024 0.000 0.293 149 G C -1.418 173.414 174.900 -0.114 0.000 1.392 149 G CA -0.335 44.633 45.100 -0.219 0.000 0.810 149 G HN 0.105 nan 8.290 nan 0.000 0.508 150 E N 0.452 120.723 120.200 0.118 0.000 2.373 150 E HA 0.319 4.683 4.350 0.024 0.000 0.233 150 E C -0.136 176.594 176.600 0.216 0.000 1.035 150 E CA -0.604 55.944 56.400 0.247 0.000 0.930 150 E CB 1.136 31.035 29.700 0.331 0.000 1.278 150 E HN 0.366 nan 8.360 nan 0.000 0.452 151 E N 0.891 121.214 120.200 0.205 0.000 2.216 151 E HA 0.134 4.499 4.350 0.024 0.000 0.192 151 E C -0.379 176.409 176.600 0.313 0.000 0.973 151 E CA -0.029 56.490 56.400 0.200 0.000 0.851 151 E CB -0.055 29.727 29.700 0.136 0.000 0.804 151 E HN 0.465 nan 8.360 nan 0.000 0.477 152 F N 0.067 120.098 119.950 0.134 0.000 2.172 152 F HA -0.083 4.460 4.527 0.028 0.000 0.517 152 F C 0.300 176.011 175.800 -0.147 0.000 1.283 152 F CA 0.896 58.965 58.000 0.114 0.000 1.659 152 F CB -1.018 38.045 39.000 0.105 0.000 2.647 152 F HN 0.162 nan 8.300 nan 0.000 0.726 153 G N 4.153 112.615 108.800 -0.563 0.000 2.215 153 G HA2 -0.242 3.733 3.960 0.024 0.000 0.198 153 G HA3 -0.242 3.733 3.960 0.024 0.000 0.198 153 G C 0.370 175.144 174.900 -0.211 0.000 1.047 153 G CA 0.336 44.969 45.100 -0.778 0.000 0.747 153 G HN 1.102 nan 8.290 nan 0.000 0.495 154 K N -0.362 120.029 120.400 -0.015 0.000 2.474 154 K HA 0.383 4.717 4.320 0.024 0.000 0.204 154 K C 1.405 178.032 176.600 0.046 0.000 1.220 154 K CA 0.643 56.938 56.287 0.013 0.000 0.966 154 K CB 0.337 32.867 32.500 0.051 0.000 1.049 154 K HN 0.571 nan 8.250 nan 0.000 0.554 155 G N 3.899 112.791 108.800 0.153 0.000 2.349 155 G HA2 0.246 4.220 3.960 0.024 0.000 0.281 155 G HA3 0.246 4.220 3.960 0.024 0.000 0.281 155 G C -2.492 172.545 174.900 0.229 0.000 1.182 155 G CA -1.082 44.127 45.100 0.182 0.000 0.899 155 G HN 0.099 nan 8.290 nan 0.000 0.455 156 P HA 0.119 nan 4.420 nan 0.000 0.272 156 P C -0.096 177.324 177.300 0.199 0.000 1.254 156 P CA -0.243 62.971 63.100 0.190 0.000 0.795 156 P CB 1.374 33.219 31.700 0.242 0.000 1.022 157 I N 1.501 122.183 120.570 0.186 0.000 2.291 157 I HA 0.131 4.315 4.170 0.024 0.000 0.292 157 I C 2.001 178.292 176.117 0.291 0.000 1.064 157 I CA -0.288 61.081 61.300 0.115 0.000 1.269 157 I CB 0.195 38.220 38.000 0.041 0.000 1.418 157 I HN 0.260 nan 8.210 nan 0.000 0.485 158 I N 5.594 126.261 120.570 0.162 0.000 2.252 158 I HA -0.132 4.052 4.170 0.024 0.000 0.245 158 I C 0.973 177.115 176.117 0.042 0.000 1.102 158 I CA 1.557 62.897 61.300 0.065 0.000 1.385 158 I CB 0.104 38.065 38.000 -0.066 0.000 1.064 158 I HN 0.548 nan 8.210 nan 0.000 0.414 159 M N -0.950 118.662 119.600 0.021 0.000 2.683 159 M HA 0.451 4.946 4.480 0.024 0.000 0.274 159 M C -1.460 174.815 176.300 -0.043 0.000 1.272 159 M CA -0.530 54.765 55.300 -0.007 0.000 0.833 159 M CB 3.635 36.195 32.600 -0.066 0.000 1.708 159 M HN -0.194 nan 8.290 nan 0.000 0.463 160 I N 1.772 122.306 120.570 -0.060 0.000 2.590 160 I HA 0.317 4.501 4.170 0.024 0.000 0.283 160 I C -0.885 175.173 176.117 -0.099 0.000 1.154 160 I CA 0.082 61.310 61.300 -0.121 0.000 1.067 160 I CB 1.308 39.212 38.000 -0.160 0.000 1.243 160 I HN 0.818 nan 8.210 nan 0.000 0.451 161 S N 6.053 121.699 115.700 -0.090 0.000 2.664 161 S HA 0.850 5.335 4.470 0.024 0.000 0.304 161 S C -0.929 173.732 174.600 0.100 0.000 1.099 161 S CA -0.448 57.689 58.200 -0.105 0.000 1.003 161 S CB 2.098 65.201 63.200 -0.162 0.000 1.092 161 S HN 0.592 nan 8.310 nan 0.000 0.525 162 Y N -1.998 118.315 120.300 0.023 0.000 2.638 162 Y HA 0.910 5.474 4.550 0.024 0.000 0.335 162 Y C -0.831 175.078 175.900 0.016 0.000 1.155 162 Y CA -1.306 56.852 58.100 0.097 0.000 1.046 162 Y CB 0.860 39.421 38.460 0.168 0.000 1.303 162 Y HN 1.122 nan 8.280 nan 0.000 0.460 163 A N 1.205 124.207 122.820 0.305 0.000 2.610 163 A HA 0.882 5.217 4.320 0.024 0.000 0.291 163 A C -1.470 175.967 177.584 -0.246 0.000 1.086 163 A CA 0.178 52.234 52.037 0.031 0.000 0.677 163 A CB 1.852 20.832 19.000 -0.033 0.000 1.278 163 A HN 1.292 nan 8.150 nan 0.000 0.414 164 D N -1.196 118.815 120.400 -0.648 0.000 4.734 164 D HA 0.114 4.768 4.640 0.024 0.000 0.349 164 D C -0.124 175.665 176.300 -0.852 0.000 1.733 164 D CA -0.066 53.314 54.000 -1.034 0.000 0.993 164 D CB -0.322 40.305 40.800 -0.288 0.000 1.508 164 D HN 0.201 nan 8.370 nan 0.000 0.671 165 E N -0.575 119.460 120.200 -0.275 0.000 2.472 165 E HA 0.242 4.606 4.350 0.024 0.000 0.196 165 E C 0.429 177.018 176.600 -0.019 0.000 1.033 165 E CA 0.340 56.714 56.400 -0.044 0.000 0.886 165 E CB 0.064 29.813 29.700 0.081 0.000 0.944 165 E HN 0.439 nan 8.360 nan 0.000 0.492 166 N N 0.057 118.734 118.700 -0.038 0.000 2.460 166 N HA 0.013 4.767 4.740 0.024 0.000 0.193 166 N C 0.207 175.712 175.510 -0.009 0.000 1.080 166 N CA 0.268 53.316 53.050 -0.004 0.000 0.869 166 N CB 0.832 39.327 38.487 0.012 0.000 1.201 166 N HN 0.070 nan 8.380 nan 0.000 0.457 167 E N -0.449 119.735 120.200 -0.026 0.000 2.269 167 E HA 0.761 5.125 4.350 0.024 0.000 0.243 167 E C -1.736 174.829 176.600 -0.058 0.000 1.114 167 E CA -1.402 54.982 56.400 -0.026 0.000 0.896 167 E CB 1.337 31.052 29.700 0.024 0.000 1.811 167 E HN -0.061 nan 8.360 nan 0.000 0.472 168 A N 0.560 123.330 122.820 -0.083 0.000 2.541 168 A HA 0.560 4.894 4.320 0.024 0.000 0.285 168 A C -1.091 176.334 177.584 -0.265 0.000 1.058 168 A CA -0.914 51.040 52.037 -0.138 0.000 0.886 168 A CB 0.817 19.710 19.000 -0.178 0.000 1.411 168 A HN 0.416 nan 8.150 nan 0.000 0.403 169 R N 0.392 120.586 120.500 -0.509 0.000 2.867 169 R HA 0.871 5.226 4.340 0.024 0.000 0.227 169 R C -0.735 175.244 176.300 -0.536 0.000 1.372 169 R CA -0.801 54.963 56.100 -0.560 0.000 1.083 169 R CB 0.705 30.579 30.300 -0.710 0.000 1.596 169 R HN 0.560 nan 8.270 nan 0.000 0.522 170 V N 1.706 121.423 119.914 -0.329 0.000 2.711 170 V HA 0.344 4.478 4.120 0.024 0.000 0.304 170 V C -0.743 175.273 176.094 -0.129 0.000 1.097 170 V CA -0.794 61.390 62.300 -0.192 0.000 0.906 170 V CB 2.406 34.200 31.823 -0.048 0.000 1.015 170 V HN 0.439 nan 8.190 nan 0.000 0.427 171 I N 3.403 123.929 120.570 -0.075 0.000 2.377 171 I HA 0.724 4.909 4.170 0.024 0.000 0.293 171 I C 0.164 176.312 176.117 0.051 0.000 0.987 171 I CA 0.173 61.484 61.300 0.018 0.000 1.185 171 I CB 1.650 39.709 38.000 0.099 0.000 1.341 171 I HN 0.760 nan 8.210 nan 0.000 0.455 172 T N 5.940 120.538 114.554 0.074 0.000 2.792 172 T HA 0.483 4.848 4.350 0.024 0.000 0.303 172 T C -1.190 173.625 174.700 0.192 0.000 1.310 172 T CA -0.455 61.719 62.100 0.122 0.000 1.007 172 T CB 1.311 70.158 68.868 -0.035 0.000 1.335 172 T HN 0.566 nan 8.240 nan 0.000 0.504 173 W N 2.422 123.696 121.300 -0.043 0.000 2.410 173 W HA 0.722 5.396 4.660 0.023 0.000 0.400 173 W C -0.488 176.002 176.519 -0.049 0.000 0.777 173 W CA -0.781 56.539 57.345 -0.042 0.000 2.632 173 W CB -1.111 28.325 29.460 -0.040 0.000 1.504 173 W HN 0.397 nan 8.180 nan 0.000 0.757 174 K N 1.694 122.015 120.400 -0.133 0.000 2.430 174 K HA 0.344 4.679 4.320 0.024 0.000 0.268 174 K C -0.401 176.139 176.600 -0.099 0.000 1.043 174 K CA -0.586 55.595 56.287 -0.176 0.000 0.899 174 K CB 1.281 33.592 32.500 -0.315 0.000 1.472 174 K HN -0.131 nan 8.250 nan 0.000 0.451 175 N N 1.738 120.381 118.700 -0.094 0.000 2.419 175 N HA 0.347 5.101 4.740 0.024 0.000 0.277 175 N C -1.031 174.427 175.510 -0.086 0.000 1.006 175 N CA -0.377 52.630 53.050 -0.071 0.000 0.923 175 N CB 1.190 39.647 38.487 -0.051 0.000 1.140 175 N HN 0.270 nan 8.380 nan 0.000 0.488 176 I N 1.736 122.252 120.570 -0.089 0.000 2.531 176 I HA 0.018 4.202 4.170 0.024 0.000 0.283 176 I C 0.159 176.204 176.117 -0.120 0.000 1.083 176 I CA -0.643 60.593 61.300 -0.107 0.000 1.071 176 I CB 1.407 39.334 38.000 -0.122 0.000 1.210 176 I HN 0.548 nan 8.210 nan 0.000 0.450 177 D N 6.813 127.150 120.400 -0.106 0.000 2.789 177 D HA -0.022 4.632 4.640 0.024 0.000 0.249 177 D C -0.384 175.824 176.300 -0.152 0.000 1.290 177 D CA 0.698 54.634 54.000 -0.107 0.000 0.989 177 D CB -0.206 40.548 40.800 -0.076 0.000 1.145 177 D HN 0.391 nan 8.370 nan 0.000 0.449 178 L N 0.916 122.004 121.223 -0.224 0.000 2.307 178 L HA 0.355 4.710 4.340 0.024 0.000 0.284 178 L C -1.063 175.595 176.870 -0.353 0.000 1.023 178 L CA -2.102 52.514 54.840 -0.374 0.000 0.810 178 L CB 2.043 43.709 42.059 -0.655 0.000 1.231 178 L HN -0.020 nan 8.230 nan 0.000 0.423 179 P HA -0.193 nan 4.420 nan 0.000 0.226 179 P C 0.200 177.469 177.300 -0.051 0.000 1.146 179 P CA 1.376 64.402 63.100 -0.123 0.000 0.773 179 P CB -0.014 31.660 31.700 -0.044 0.000 0.772 180 Y N -2.966 117.302 120.300 -0.052 0.000 2.675 180 Y HA 0.526 5.090 4.550 0.024 0.000 0.248 180 Y C 0.117 175.956 175.900 -0.101 0.000 1.161 180 Y CA -1.451 56.603 58.100 -0.075 0.000 1.203 180 Y CB -0.469 37.942 38.460 -0.081 0.000 1.262 180 Y HN -0.363 nan 8.280 nan 0.000 0.544 181 V N 1.190 121.031 119.914 -0.121 0.000 2.966 181 V HA 0.532 4.666 4.120 0.024 0.000 0.317 181 V C -0.748 175.315 176.094 -0.050 0.000 1.070 181 V CA -0.783 61.476 62.300 -0.069 0.000 1.008 181 V CB 2.066 33.808 31.823 -0.136 0.000 1.070 181 V HN 0.173 nan 8.190 nan 0.000 0.457 182 E N 0.521 120.705 120.200 -0.026 0.000 2.260 182 E HA 0.517 4.882 4.350 0.024 0.000 0.266 182 E C -1.282 175.326 176.600 0.014 0.000 0.887 182 E CA -0.120 56.281 56.400 0.001 0.000 0.777 182 E CB 1.982 31.700 29.700 0.030 0.000 1.205 182 E HN 0.702 nan 8.360 nan 0.000 0.414 183 S N 1.469 117.177 115.700 0.014 0.000 2.541 183 S HA 0.702 5.186 4.470 0.024 0.000 0.283 183 S C -0.828 173.809 174.600 0.061 0.000 1.196 183 S CA -0.732 57.489 58.200 0.035 0.000 1.062 183 S CB 1.409 64.617 63.200 0.013 0.000 1.009 183 S HN 0.278 nan 8.310 nan 0.000 0.502 184 V N 2.503 122.480 119.914 0.105 0.000 2.733 184 V HA 0.222 4.356 4.120 0.024 0.000 0.306 184 V C 1.221 177.389 176.094 0.123 0.000 1.084 184 V CA -0.482 61.873 62.300 0.091 0.000 0.905 184 V CB 1.902 33.770 31.823 0.075 0.000 1.010 184 V HN 1.094 nan 8.190 nan 0.000 0.424 185 S N 3.244 118.991 115.700 0.078 0.000 2.465 185 S HA -0.241 4.244 4.470 0.024 0.000 0.263 185 S C 0.867 175.513 174.600 0.077 0.000 1.135 185 S CA 2.417 60.661 58.200 0.073 0.000 1.118 185 S CB -0.470 62.746 63.200 0.027 0.000 0.994 185 S HN 1.564 nan 8.310 nan 0.000 0.455 186 T N -1.148 113.390 114.554 -0.026 0.000 2.754 186 T HA 0.510 4.874 4.350 0.024 0.000 0.296 186 T C 0.430 174.741 174.700 -0.649 0.000 1.205 186 T CA -0.083 61.855 62.100 -0.269 0.000 1.009 186 T CB 1.491 70.218 68.868 -0.234 0.000 1.368 186 T HN 0.357 nan 8.240 nan 0.000 0.509 187 E N 0.495 119.998 120.200 -1.163 0.000 2.285 187 E HA 0.072 4.437 4.350 0.024 0.000 0.194 187 E C 1.693 178.028 176.600 -0.442 0.000 0.997 187 E CA 0.462 56.228 56.400 -1.056 0.000 0.845 187 E CB -0.102 28.927 29.700 -1.118 0.000 0.782 187 E HN 0.557 nan 8.360 nan 0.000 0.491 188 K N 0.864 121.062 120.400 -0.337 0.000 2.009 188 K HA -0.134 4.201 4.320 0.024 0.000 0.210 188 K C 2.114 178.638 176.600 -0.126 0.000 1.049 188 K CA 1.725 57.902 56.287 -0.184 0.000 0.929 188 K CB 0.038 32.452 32.500 -0.143 0.000 0.714 188 K HN 0.077 nan 8.250 nan 0.000 0.440 189 E N 0.333 120.462 120.200 -0.119 0.000 2.204 189 E HA -0.201 4.164 4.350 0.024 0.000 0.194 189 E C 1.853 178.441 176.600 -0.019 0.000 0.989 189 E CA 0.979 57.346 56.400 -0.055 0.000 0.824 189 E CB -0.233 29.446 29.700 -0.035 0.000 0.756 189 E HN 0.448 nan 8.360 nan 0.000 0.477 190 M N 0.353 119.929 119.600 -0.041 0.000 2.067 190 M HA -0.163 4.332 4.480 0.024 0.000 0.260 190 M C 2.138 178.475 176.300 0.062 0.000 1.069 190 M CA 1.609 56.928 55.300 0.032 0.000 1.117 190 M CB -0.187 32.429 32.600 0.027 0.000 1.334 190 M HN -0.005 nan 8.290 nan 0.000 0.407 191 I N 0.602 121.185 120.570 0.022 0.000 2.264 191 I HA -0.321 3.863 4.170 0.024 0.000 0.248 191 I C 2.398 178.564 176.117 0.081 0.000 1.111 191 I CA 1.451 62.797 61.300 0.078 0.000 1.382 191 I CB -0.584 37.428 38.000 0.020 0.000 1.060 191 I HN 0.370 nan 8.210 nan 0.000 0.418 192 K N 0.151 120.565 120.400 0.023 0.000 2.057 192 K HA -0.143 4.191 4.320 0.024 0.000 0.207 192 K C 2.326 178.931 176.600 0.009 0.000 1.049 192 K CA 0.876 57.162 56.287 -0.002 0.000 0.931 192 K CB -0.231 32.259 32.500 -0.017 0.000 0.714 192 K HN 0.174 nan 8.250 nan 0.000 0.440 193 R N 0.818 121.350 120.500 0.053 0.000 2.080 193 R HA -0.116 4.238 4.340 0.024 0.000 0.236 193 R C 2.113 178.471 176.300 0.096 0.000 1.137 193 R CA 1.328 57.475 56.100 0.078 0.000 0.943 193 R CB -0.919 29.460 30.300 0.131 0.000 0.846 193 R HN 0.267 nan 8.270 nan 0.000 0.431 194 F N 1.430 121.363 119.950 -0.028 0.000 2.025 194 F HA -0.310 4.232 4.527 0.024 0.000 0.297 194 F C 2.242 177.958 175.800 -0.140 0.000 1.132 194 F CA 1.690 59.637 58.000 -0.089 0.000 1.191 194 F CB -0.316 38.611 39.000 -0.122 0.000 0.963 194 F HN -0.047 nan 8.300 nan 0.000 0.481 195 L N 0.311 121.351 121.223 -0.305 0.000 2.013 195 L HA -0.288 4.066 4.340 0.024 0.000 0.212 195 L C 2.607 179.315 176.870 -0.271 0.000 1.073 195 L CA 1.978 56.591 54.840 -0.379 0.000 0.753 195 L CB -1.030 40.902 42.059 -0.210 0.000 0.890 195 L HN 0.204 nan 8.230 nan 0.000 0.432 196 R N 0.279 120.685 120.500 -0.156 0.000 2.127 196 R HA -0.171 4.183 4.340 0.024 0.000 0.238 196 R C 2.262 178.478 176.300 -0.141 0.000 1.134 196 R CA 1.221 57.251 56.100 -0.116 0.000 0.975 196 R CB -0.014 30.250 30.300 -0.060 0.000 0.865 196 R HN 0.261 nan 8.270 nan 0.000 0.447 197 I N 2.083 122.547 120.570 -0.176 0.000 2.193 197 I HA -0.238 3.946 4.170 0.024 0.000 0.240 197 I C 2.364 178.311 176.117 -0.284 0.000 1.084 197 I CA 1.017 62.185 61.300 -0.220 0.000 1.365 197 I CB -0.985 36.851 38.000 -0.273 0.000 1.064 197 I HN 0.313 nan 8.210 nan 0.000 0.410 198 I N -0.756 119.579 120.570 -0.392 0.000 2.700 198 I HA -0.225 3.959 4.170 0.024 0.000 0.261 198 I C 2.323 178.299 176.117 -0.234 0.000 1.219 198 I CA 1.408 62.500 61.300 -0.346 0.000 1.463 198 I CB -0.935 36.788 38.000 -0.460 0.000 1.092 198 I HN 0.258 nan 8.210 nan 0.000 0.452 199 R N 1.247 121.623 120.500 -0.207 0.000 2.055 199 R HA -0.042 4.312 4.340 0.024 0.000 0.226 199 R C 2.383 178.618 176.300 -0.108 0.000 1.135 199 R CA 1.452 57.467 56.100 -0.142 0.000 0.959 199 R CB 0.027 30.256 30.300 -0.119 0.000 0.854 199 R HN 0.531 nan 8.270 nan 0.000 0.431 200 E N 0.373 120.511 120.200 -0.103 0.000 2.051 200 E HA -0.237 4.127 4.350 0.024 0.000 0.192 200 E C 1.952 178.507 176.600 -0.076 0.000 0.991 200 E CA 1.179 57.535 56.400 -0.073 0.000 0.799 200 E CB -0.078 29.586 29.700 -0.060 0.000 0.748 200 E HN 0.121 nan 8.360 nan 0.000 0.449 201 K N 0.837 121.174 120.400 -0.106 0.000 2.097 201 K HA -0.128 4.206 4.320 0.024 0.000 0.205 201 K C 0.065 176.617 176.600 -0.080 0.000 1.050 201 K CA 0.950 57.180 56.287 -0.095 0.000 0.938 201 K CB -0.094 32.324 32.500 -0.136 0.000 0.718 201 K HN -0.024 nan 8.250 nan 0.000 0.442 202 D N 0.237 120.576 120.400 -0.102 0.000 2.904 202 D HA -0.116 4.539 4.640 0.024 0.000 0.231 202 D C -2.600 173.651 176.300 -0.082 0.000 1.185 202 D CA 0.164 54.102 54.000 -0.103 0.000 0.783 202 D CB -0.089 40.655 40.800 -0.093 0.000 0.961 202 D HN 0.129 nan 8.370 nan 0.000 0.409 203 P HA 0.242 nan 4.420 nan 0.000 0.281 203 P C 0.223 177.505 177.300 -0.031 0.000 1.249 203 P CA -0.344 62.746 63.100 -0.016 0.000 0.810 203 P CB 1.026 32.751 31.700 0.041 0.000 1.008 204 D N 0.913 121.308 120.400 -0.009 0.000 2.213 204 D HA 0.101 4.755 4.640 0.024 0.000 0.205 204 D C 0.611 176.926 176.300 0.026 0.000 0.961 204 D CA 1.270 55.259 54.000 -0.019 0.000 0.853 204 D CB 0.315 41.116 40.800 0.002 0.000 0.967 204 D HN 0.367 nan 8.370 nan 0.000 0.496 205 I N 1.233 121.846 120.570 0.071 0.000 2.447 205 I HA 0.211 4.396 4.170 0.024 0.000 0.287 205 I C -0.906 175.336 176.117 0.209 0.000 1.023 205 I CA -1.028 60.348 61.300 0.126 0.000 1.083 205 I CB 2.651 40.704 38.000 0.089 0.000 1.245 205 I HN -0.237 nan 8.210 nan 0.000 0.434 206 I N 8.404 129.147 120.570 0.288 0.000 2.339 206 I HA 0.440 4.624 4.170 0.024 0.000 0.290 206 I C -0.788 175.627 176.117 0.496 0.000 0.994 206 I CA -0.288 61.248 61.300 0.393 0.000 1.191 206 I CB 1.348 39.612 38.000 0.440 0.000 1.343 206 I HN 0.202 nan 8.210 nan 0.000 0.458 207 V N 7.513 127.694 119.914 0.445 0.000 2.407 207 V HA 0.661 4.795 4.120 0.024 0.000 0.278 207 V C 0.621 176.875 176.094 0.266 0.000 1.037 207 V CA 0.183 62.722 62.300 0.397 0.000 0.900 207 V CB 0.616 32.672 31.823 0.389 0.000 0.983 207 V HN 0.964 nan 8.190 nan 0.000 0.459 208 T N 1.339 116.001 114.554 0.180 0.000 2.573 208 T HA 0.626 4.991 4.350 0.024 0.000 0.259 208 T C -1.281 173.462 174.700 0.072 0.000 0.886 208 T CA -0.596 61.536 62.100 0.053 0.000 1.110 208 T CB 1.644 70.528 68.868 0.025 0.000 1.421 208 T HN 0.396 nan 8.240 nan 0.000 0.523 209 Y N 1.272 121.532 120.300 -0.066 0.000 2.489 209 Y HA 0.414 4.978 4.550 0.023 0.000 0.339 209 Y C 0.328 176.213 175.900 -0.025 0.000 1.135 209 Y CA -0.240 57.835 58.100 -0.042 0.000 1.321 209 Y CB 0.183 38.615 38.460 -0.046 0.000 1.098 209 Y HN 0.991 nan 8.280 nan 0.000 0.590 210 N N 1.266 119.864 118.700 -0.170 0.000 2.882 210 N HA -0.158 4.596 4.740 0.024 0.000 0.249 210 N C 1.026 176.611 175.510 0.125 0.000 1.079 210 N CA 1.244 54.215 53.050 -0.131 0.000 0.800 210 N CB -1.108 37.200 38.487 -0.297 0.000 1.124 210 N HN 0.900 nan 8.380 nan 0.000 0.557 211 G N -0.512 108.392 108.800 0.173 0.000 2.448 211 G HA2 -0.202 3.773 3.960 0.024 0.000 0.218 211 G HA3 -0.202 3.773 3.960 0.024 0.000 0.218 211 G C 1.130 176.321 174.900 0.485 0.000 1.135 211 G CA 1.001 46.262 45.100 0.268 0.000 0.784 211 G HN 0.467 nan 8.290 nan 0.000 0.543 212 D N 0.407 121.073 120.400 0.445 0.000 2.104 212 D HA -0.081 4.573 4.640 0.024 0.000 0.194 212 D C 2.517 179.017 176.300 0.333 0.000 0.994 212 D CA 1.238 55.488 54.000 0.416 0.000 0.830 212 D CB -0.078 40.875 40.800 0.254 0.000 0.959 212 D HN 0.265 nan 8.370 nan 0.000 0.452 213 S N -1.908 113.953 115.700 0.268 0.000 2.478 213 S HA 0.072 4.557 4.470 0.024 0.000 0.222 213 S C 1.174 176.001 174.600 0.378 0.000 1.008 213 S CA 0.046 58.388 58.200 0.237 0.000 0.928 213 S CB 0.346 63.618 63.200 0.120 0.000 0.781 213 S HN 0.241 nan 8.310 nan 0.000 0.518 214 F N 0.682 120.763 119.950 0.217 0.000 2.282 214 F HA 0.202 4.744 4.527 0.025 0.000 0.255 214 F C 1.503 177.478 175.800 0.291 0.000 0.959 214 F CA 0.136 58.321 58.000 0.308 0.000 1.170 214 F CB -0.198 38.921 39.000 0.199 0.000 1.376 214 F HN -0.025 nan 8.300 nan 0.000 0.709 215 D N 1.096 121.469 120.400 -0.044 0.000 2.126 215 D HA -0.252 4.403 4.640 0.024 0.000 0.190 215 D C 2.078 178.261 176.300 -0.196 0.000 1.001 215 D CA 2.194 56.022 54.000 -0.287 0.000 0.841 215 D CB -0.861 39.736 40.800 -0.338 0.000 0.949 215 D HN 0.307 nan 8.370 nan 0.000 0.446 216 F N 0.426 120.436 119.950 0.100 0.000 2.146 216 F HA -0.056 4.485 4.527 0.023 0.000 0.298 216 F C -0.504 175.366 175.800 0.116 0.000 1.096 216 F CA 0.909 58.986 58.000 0.127 0.000 1.275 216 F CB -1.010 38.049 39.000 0.098 0.000 1.008 216 F HN 0.131 nan 8.300 nan 0.000 0.480 217 P HA -0.127 nan 4.420 nan 0.000 0.240 217 P C 1.126 178.521 177.300 0.159 0.000 1.190 217 P CA 1.150 64.427 63.100 0.295 0.000 0.781 217 P CB -0.235 31.684 31.700 0.365 0.000 0.931 218 Y N 0.888 121.108 120.300 -0.133 0.000 2.163 218 Y HA -0.109 4.455 4.550 0.023 0.000 0.288 218 Y C 2.484 178.198 175.900 -0.309 0.000 1.136 218 Y CA 1.256 59.025 58.100 -0.552 0.000 1.147 218 Y CB -0.772 37.157 38.460 -0.886 0.000 0.987 218 Y HN -0.273 nan 8.280 nan 0.000 0.509 219 L N -0.541 120.703 121.223 0.036 0.000 2.043 219 L HA -0.333 4.021 4.340 0.024 0.000 0.212 219 L C 2.605 179.493 176.870 0.030 0.000 1.075 219 L CA 1.550 56.420 54.840 0.050 0.000 0.752 219 L CB -0.880 41.221 42.059 0.069 0.000 0.891 219 L HN 0.435 nan 8.230 nan 0.000 0.432 220 A N -0.099 122.753 122.820 0.053 0.000 1.841 220 A HA -0.267 4.068 4.320 0.024 0.000 0.214 220 A C 2.229 179.804 177.584 -0.016 0.000 1.195 220 A CA 1.872 53.939 52.037 0.049 0.000 0.611 220 A CB -0.501 18.557 19.000 0.096 0.000 0.835 220 A HN 0.256 nan 8.150 nan 0.000 0.443 221 K N -0.460 119.897 120.400 -0.071 0.000 2.218 221 K HA -0.150 4.184 4.320 0.024 0.000 0.205 221 K C 1.586 178.088 176.600 -0.163 0.000 1.046 221 K CA 1.632 57.840 56.287 -0.131 0.000 0.933 221 K CB -0.147 32.197 32.500 -0.260 0.000 0.728 221 K HN 0.275 nan 8.250 nan 0.000 0.454 222 R N -1.204 119.193 120.500 -0.172 0.000 2.586 222 R HA 0.322 4.677 4.340 0.024 0.000 0.306 222 R C -0.054 176.211 176.300 -0.059 0.000 1.079 222 R CA 0.575 56.604 56.100 -0.119 0.000 1.083 222 R CB 0.277 30.529 30.300 -0.081 0.000 1.306 222 R HN 0.218 nan 8.270 nan 0.000 0.567 223 A N -1.268 121.524 122.820 -0.047 0.000 1.998 223 A HA 0.155 4.489 4.320 0.024 0.000 0.180 223 A C 0.939 178.508 177.584 -0.025 0.000 1.858 223 A CA -0.309 51.710 52.037 -0.031 0.000 1.403 223 A CB 0.191 19.185 19.000 -0.010 0.000 1.550 223 A HN 0.256 nan 8.150 nan 0.000 0.385 224 E N 0.371 120.558 120.200 -0.022 0.000 2.533 224 E HA -0.099 4.266 4.350 0.024 0.000 0.201 224 E C 1.201 177.789 176.600 -0.021 0.000 1.097 224 E CA 0.703 57.095 56.400 -0.014 0.000 0.887 224 E CB 0.200 29.897 29.700 -0.006 0.000 0.855 224 E HN 0.526 nan 8.360 nan 0.000 0.540 225 K N 0.125 120.506 120.400 -0.032 0.000 2.502 225 K HA 0.028 4.362 4.320 0.024 0.000 0.211 225 K C 0.918 177.494 176.600 -0.040 0.000 1.259 225 K CA -0.012 56.253 56.287 -0.036 0.000 0.983 225 K CB 0.563 33.035 32.500 -0.048 0.000 1.054 225 K HN 0.061 nan 8.250 nan 0.000 0.572 226 L N 0.782 121.979 121.223 -0.045 0.000 2.966 226 L HA 0.396 4.750 4.340 0.024 0.000 0.262 226 L C 0.037 176.879 176.870 -0.047 0.000 1.165 226 L CA 0.837 55.644 54.840 -0.055 0.000 0.978 226 L CB 0.808 42.824 42.059 -0.072 0.000 1.337 226 L HN 0.336 nan 8.230 nan 0.000 0.563 227 G N 1.699 110.478 108.800 -0.035 0.000 2.415 227 G HA2 -0.238 3.737 3.960 0.024 0.000 0.283 227 G HA3 -0.238 3.737 3.960 0.024 0.000 0.283 227 G C -0.480 174.401 174.900 -0.031 0.000 1.014 227 G CA 0.411 45.493 45.100 -0.029 0.000 1.323 227 G HN 0.156 nan 8.290 nan 0.000 0.502 228 I N 0.030 120.584 120.570 -0.026 0.000 2.651 228 I HA 0.325 4.510 4.170 0.024 0.000 0.287 228 I C -0.168 175.939 176.117 -0.017 0.000 1.244 228 I CA -0.943 60.342 61.300 -0.025 0.000 1.061 228 I CB 1.969 39.952 38.000 -0.029 0.000 1.286 228 I HN 0.153 nan 8.210 nan 0.000 0.434 229 K N 4.352 124.741 120.400 -0.018 0.000 2.350 229 K HA 0.381 4.715 4.320 0.024 0.000 0.279 229 K C -0.467 176.124 176.600 -0.015 0.000 1.027 229 K CA -0.243 56.036 56.287 -0.014 0.000 0.969 229 K CB 0.404 32.893 32.500 -0.017 0.000 0.954 229 K HN 0.342 nan 8.250 nan 0.000 0.474 230 L N 4.110 125.333 121.223 -0.001 0.000 2.387 230 L HA 0.125 4.480 4.340 0.024 0.000 0.267 230 L C -0.143 176.716 176.870 -0.018 0.000 1.197 230 L CA 0.676 55.520 54.840 0.006 0.000 1.070 230 L CB -0.520 41.572 42.059 0.055 0.000 1.349 230 L HN 0.564 nan 8.230 nan 0.000 0.422 231 T N 4.672 119.196 114.554 -0.049 0.000 4.475 231 T HA 0.180 4.544 4.350 0.024 0.000 0.254 231 T C 1.671 176.315 174.700 -0.093 0.000 1.160 231 T CA 0.346 62.410 62.100 -0.061 0.000 1.091 231 T CB -0.444 68.386 68.868 -0.063 0.000 1.377 231 T HN 0.379 nan 8.240 nan 0.000 1.057 232 I N 0.081 120.605 120.570 -0.075 0.000 3.708 232 I HA 0.244 4.429 4.170 0.024 0.000 0.302 232 I C 1.924 177.991 176.117 -0.084 0.000 1.255 232 I CA -0.177 61.062 61.300 -0.103 0.000 1.362 232 I CB 0.105 38.074 38.000 -0.050 0.000 1.100 232 I HN 0.450 nan 8.210 nan 0.000 0.434 233 G N 0.270 109.034 108.800 -0.060 0.000 2.611 233 G HA2 0.093 4.068 3.960 0.024 0.000 0.273 233 G HA3 0.093 4.068 3.960 0.024 0.000 0.273 233 G C 0.661 175.532 174.900 -0.048 0.000 1.305 233 G CA -0.299 44.771 45.100 -0.050 0.000 1.010 233 G HN 0.134 nan 8.290 nan 0.000 0.509 234 R N -0.769 119.714 120.500 -0.029 0.000 2.240 234 R HA 0.019 4.374 4.340 0.024 0.000 0.203 234 R C 1.014 177.347 176.300 0.054 0.000 1.011 234 R CA 0.988 57.068 56.100 -0.033 0.000 1.007 234 R CB 0.198 30.411 30.300 -0.145 0.000 0.911 234 R HN 0.653 nan 8.270 nan 0.000 0.468 235 D N -0.519 119.927 120.400 0.078 0.000 2.336 235 D HA 0.066 4.721 4.640 0.024 0.000 0.228 235 D C 0.468 176.787 176.300 0.031 0.000 1.120 235 D CA 0.032 54.078 54.000 0.076 0.000 0.839 235 D CB 0.010 40.863 40.800 0.089 0.000 0.932 235 D HN 0.099 nan 8.370 nan 0.000 0.509 236 G N 0.542 109.347 108.800 0.008 0.000 2.354 236 G HA2 -0.062 3.913 3.960 0.024 0.000 0.278 236 G HA3 -0.062 3.913 3.960 0.024 0.000 0.278 236 G C 0.034 174.928 174.900 -0.010 0.000 0.953 236 G CA 0.514 45.606 45.100 -0.013 0.000 1.346 236 G HN 0.966 nan 8.290 nan 0.000 0.467 237 S N -0.614 115.078 115.700 -0.014 0.000 2.638 237 S HA 0.788 5.272 4.470 0.024 0.000 0.274 237 S C -0.416 174.171 174.600 -0.021 0.000 1.157 237 S CA -0.830 57.363 58.200 -0.012 0.000 0.826 237 S CB 2.136 65.334 63.200 -0.004 0.000 1.139 237 S HN 0.519 nan 8.310 nan 0.000 0.474 238 E N 0.694 120.884 120.200 -0.016 0.000 2.312 238 E HA 0.451 4.816 4.350 0.024 0.000 0.259 238 E C -2.580 174.001 176.600 -0.030 0.000 1.122 238 E CA -2.155 54.239 56.400 -0.011 0.000 0.922 238 E CB 0.030 29.734 29.700 0.007 0.000 1.109 238 E HN 0.359 nan 8.360 nan 0.000 0.442 239 P HA 0.003 nan 4.420 nan 0.000 0.268 239 P C -1.004 176.258 177.300 -0.063 0.000 1.205 239 P CA 0.409 63.437 63.100 -0.119 0.000 0.771 239 P CB 0.456 32.074 31.700 -0.136 0.000 0.858 240 K N 2.803 123.153 120.400 -0.084 0.000 2.378 240 K HA 0.513 4.847 4.320 0.024 0.000 0.252 240 K C -0.947 175.653 176.600 -0.000 0.000 0.931 240 K CA -0.793 55.472 56.287 -0.035 0.000 0.794 240 K CB 0.816 33.282 32.500 -0.056 0.000 1.181 240 K HN 0.189 nan 8.250 nan 0.000 0.425 241 M N 2.735 122.361 119.600 0.043 0.000 2.211 241 M HA 0.291 4.785 4.480 0.024 0.000 0.356 241 M C -0.199 176.158 176.300 0.095 0.000 1.216 241 M CA 0.201 55.557 55.300 0.094 0.000 1.134 241 M CB 1.102 33.762 32.600 0.099 0.000 1.564 241 M HN 0.423 nan 8.290 nan 0.000 0.463 242 Q N 1.514 121.413 119.800 0.166 0.000 2.423 242 Q HA 0.505 4.860 4.340 0.024 0.000 0.278 242 Q C -0.860 175.270 176.000 0.217 0.000 1.097 242 Q CA -0.872 55.036 55.803 0.175 0.000 0.809 242 Q CB 2.786 31.642 28.738 0.195 0.000 1.391 242 Q HN 0.817 nan 8.270 nan 0.000 0.428 243 R N 1.430 122.037 120.500 0.177 0.000 2.490 243 R HA 0.661 5.016 4.340 0.024 0.000 0.278 243 R C -0.306 176.114 176.300 0.200 0.000 1.069 243 R CA -0.080 56.118 56.100 0.163 0.000 1.080 243 R CB 0.832 31.207 30.300 0.125 0.000 1.030 243 R HN 0.601 nan 8.270 nan 0.000 0.491 244 I N -0.209 120.457 120.570 0.159 0.000 3.747 244 I HA 0.331 4.515 4.170 0.024 0.000 0.292 244 I C 0.463 176.651 176.117 0.118 0.000 1.173 244 I CA -1.073 60.314 61.300 0.145 0.000 1.233 244 I CB 1.340 39.398 38.000 0.096 0.000 1.254 244 I HN 0.902 nan 8.210 nan 0.000 0.419 245 G N 0.508 109.369 108.800 0.102 0.000 2.855 245 G HA2 -0.146 3.828 3.960 0.024 0.000 0.248 245 G HA3 -0.146 3.828 3.960 0.024 0.000 0.248 245 G C 0.674 175.622 174.900 0.080 0.000 1.243 245 G CA 0.596 45.752 45.100 0.093 0.000 0.881 245 G HN 0.801 nan 8.290 nan 0.000 0.598 246 D N -0.358 120.083 120.400 0.069 0.000 2.254 246 D HA -0.155 4.500 4.640 0.024 0.000 0.201 246 D C 1.342 177.677 176.300 0.057 0.000 0.998 246 D CA 0.925 54.961 54.000 0.059 0.000 0.885 246 D CB 0.060 40.890 40.800 0.050 0.000 0.915 246 D HN 0.287 nan 8.370 nan 0.000 0.460 247 M N -0.448 119.183 119.600 0.052 0.000 2.055 247 M HA 0.074 4.569 4.480 0.024 0.000 0.279 247 M C 0.475 176.823 176.300 0.080 0.000 1.236 247 M CA 0.261 55.592 55.300 0.052 0.000 1.074 247 M CB 1.205 33.819 32.600 0.023 0.000 1.394 247 M HN -0.219 nan 8.290 nan 0.000 0.492 248 T N 0.874 115.485 114.554 0.095 0.000 2.847 248 T HA 0.651 5.016 4.350 0.024 0.000 0.291 248 T C -0.831 173.965 174.700 0.160 0.000 0.998 248 T CA -0.589 61.585 62.100 0.123 0.000 0.967 248 T CB 0.564 69.495 68.868 0.105 0.000 0.954 248 T HN 0.678 nan 8.240 nan 0.000 0.441 249 A N 3.650 126.582 122.820 0.186 0.000 2.248 249 A HA 0.859 5.193 4.320 0.024 0.000 0.316 249 A C -0.626 177.152 177.584 0.323 0.000 1.101 249 A CA -0.586 51.582 52.037 0.218 0.000 0.875 249 A CB 1.013 20.061 19.000 0.079 0.000 1.207 249 A HN 0.708 nan 8.150 nan 0.000 0.504 250 V N 1.217 121.371 119.914 0.401 0.000 2.357 250 V HA 0.306 4.441 4.120 0.024 0.000 0.281 250 V C -0.116 176.258 176.094 0.467 0.000 1.015 250 V CA -0.397 62.089 62.300 0.310 0.000 0.827 250 V CB 0.632 32.477 31.823 0.038 0.000 1.018 250 V HN 0.978 nan 8.190 nan 0.000 0.432 251 E N 2.440 122.760 120.200 0.200 0.000 2.349 251 E HA 0.605 4.969 4.350 0.024 0.000 0.262 251 E C -1.141 175.340 176.600 -0.198 0.000 1.088 251 E CA -0.331 55.882 56.400 -0.312 0.000 0.899 251 E CB 1.913 31.014 29.700 -0.998 0.000 1.044 251 E HN 0.454 nan 8.360 nan 0.000 0.420 252 V N 4.709 124.507 119.914 -0.193 0.000 2.462 252 V HA 0.115 4.250 4.120 0.024 0.000 0.288 252 V C -0.809 175.189 176.094 -0.160 0.000 1.020 252 V CA -0.910 61.286 62.300 -0.173 0.000 0.857 252 V CB 1.603 33.340 31.823 -0.143 0.000 1.013 252 V HN 0.610 nan 8.190 nan 0.000 0.431 253 K N 3.697 124.019 120.400 -0.129 0.000 2.440 253 K HA 0.120 4.454 4.320 0.024 0.000 0.275 253 K C 1.336 177.940 176.600 0.008 0.000 1.082 253 K CA 1.055 57.304 56.287 -0.064 0.000 1.135 253 K CB -0.041 32.483 32.500 0.040 0.000 0.864 253 K HN 1.218 nan 8.250 nan 0.000 0.479 254 G N 3.124 111.911 108.800 -0.022 0.000 2.241 254 G HA2 -0.301 3.674 3.960 0.024 0.000 0.244 254 G HA3 -0.301 3.674 3.960 0.024 0.000 0.244 254 G C 0.078 174.921 174.900 -0.095 0.000 0.998 254 G CA 0.223 45.411 45.100 0.147 0.000 0.621 254 G HN 0.604 nan 8.290 nan 0.000 0.519 255 R N -0.520 119.905 120.500 -0.126 0.000 2.939 255 R HA 0.824 5.178 4.340 0.024 0.000 0.254 255 R C -0.713 175.558 176.300 -0.048 0.000 1.123 255 R CA -1.132 54.921 56.100 -0.079 0.000 1.020 255 R CB 1.298 31.573 30.300 -0.041 0.000 1.206 255 R HN 0.177 nan 8.270 nan 0.000 0.491 256 I N 1.262 121.862 120.570 0.049 0.000 2.420 256 I HA 0.163 4.347 4.170 0.024 0.000 0.282 256 I C -0.593 175.694 176.117 0.285 0.000 1.019 256 I CA -0.873 60.508 61.300 0.135 0.000 1.130 256 I CB 1.214 39.281 38.000 0.111 0.000 1.262 256 I HN 0.527 nan 8.210 nan 0.000 0.454 257 H N 7.268 126.477 119.070 0.232 0.000 3.089 257 H HA 0.189 4.760 4.556 0.024 0.000 0.262 257 H C -1.435 174.040 175.328 0.245 0.000 1.160 257 H CA -0.508 55.693 56.048 0.255 0.000 1.482 257 H CB 0.121 29.985 29.762 0.170 0.000 1.511 257 H HN 0.442 nan 8.280 nan 0.000 0.483 258 F N 5.455 125.414 119.950 0.016 0.000 2.361 258 F HA 0.223 4.765 4.527 0.026 0.000 0.364 258 F C -0.421 175.238 175.800 -0.234 0.000 1.117 258 F CA -1.020 56.872 58.000 -0.180 0.000 1.071 258 F CB 0.704 39.677 39.000 -0.044 0.000 1.188 258 F HN 0.413 nan 8.300 nan 0.000 0.464 259 D N 7.299 127.101 120.400 -0.996 0.000 2.453 259 D HA 0.084 4.739 4.640 0.024 0.000 0.223 259 D C 1.432 177.169 176.300 -0.938 0.000 1.183 259 D CA 0.237 53.745 54.000 -0.820 0.000 0.933 259 D CB 0.516 40.836 40.800 -0.801 0.000 1.038 259 D HN 0.813 nan 8.370 nan 0.000 0.513 260 L N 3.594 124.300 121.223 -0.862 0.000 2.040 260 L HA -0.356 3.999 4.340 0.024 0.000 0.228 260 L C 1.797 178.304 176.870 -0.606 0.000 1.092 260 L CA 1.653 56.064 54.840 -0.714 0.000 0.805 260 L CB -0.554 41.336 42.059 -0.281 0.000 0.905 260 L HN 0.533 nan 8.230 nan 0.000 0.443 261 Y N 0.729 120.484 120.300 -0.908 0.000 1.980 261 Y HA -0.436 4.126 4.550 0.021 0.000 0.249 261 Y C 2.658 178.366 175.900 -0.320 0.000 1.215 261 Y CA 2.480 60.166 58.100 -0.689 0.000 1.075 261 Y CB -0.820 37.311 38.460 -0.549 0.000 0.894 261 Y HN 0.340 nan 8.280 nan 0.000 0.503 262 H N -1.737 117.096 119.070 -0.395 0.000 2.492 262 H HA -0.125 4.447 4.556 0.028 0.000 0.296 262 H C 2.301 177.431 175.328 -0.330 0.000 1.095 262 H CA 1.458 57.280 56.048 -0.376 0.000 1.281 262 H CB -0.790 28.813 29.762 -0.264 0.000 1.374 262 H HN 0.335 nan 8.280 nan 0.000 0.545 263 V N -0.381 119.433 119.914 -0.166 0.000 2.599 263 V HA -0.052 4.082 4.120 0.024 0.000 0.245 263 V C 2.217 178.343 176.094 0.054 0.000 1.046 263 V CA 0.726 63.011 62.300 -0.025 0.000 1.065 263 V CB -0.104 31.768 31.823 0.081 0.000 0.703 263 V HN 0.308 nan 8.190 nan 0.000 0.464 264 I N -0.365 120.129 120.570 -0.127 0.000 2.163 264 I HA -0.166 4.019 4.170 0.024 0.000 0.240 264 I C 2.122 178.193 176.117 -0.076 0.000 1.081 264 I CA 1.109 62.390 61.300 -0.033 0.000 1.353 264 I CB -0.265 37.524 38.000 -0.353 0.000 1.054 264 I HN 0.087 nan 8.210 nan 0.000 0.407 265 R N 0.693 120.919 120.500 -0.457 0.000 2.623 265 R HA -0.166 4.189 4.340 0.024 0.000 0.217 265 R C 1.092 177.195 176.300 -0.328 0.000 1.576 265 R CA 1.241 56.879 56.100 -0.769 0.000 1.424 265 R CB -0.602 29.137 30.300 -0.935 0.000 0.858 265 R HN 0.598 nan 8.270 nan 0.000 0.497 266 T N -6.276 108.211 114.554 -0.111 0.000 3.511 266 T HA 0.001 4.365 4.350 0.024 0.000 0.220 266 T C 1.435 176.148 174.700 0.022 0.000 0.962 266 T CA 0.393 62.472 62.100 -0.035 0.000 1.099 266 T CB -0.100 68.756 68.868 -0.019 0.000 1.197 266 T HN 0.106 nan 8.240 nan 0.000 0.343 267 T N 4.536 119.118 114.554 0.046 0.000 4.131 267 T HA 0.144 4.508 4.350 0.024 0.000 0.196 267 T C 1.148 175.882 174.700 0.057 0.000 1.241 267 T CA 0.959 63.074 62.100 0.025 0.000 1.712 267 T CB -1.326 67.529 68.868 -0.022 0.000 1.008 267 T HN 0.820 nan 8.240 nan 0.000 0.318 268 I N 2.340 122.955 120.570 0.076 0.000 2.943 268 I HA -0.002 4.182 4.170 0.024 0.000 0.296 268 I C 0.678 176.885 176.117 0.150 0.000 1.220 268 I CA -0.358 61.002 61.300 0.100 0.000 1.409 268 I CB -0.445 37.624 38.000 0.115 0.000 1.374 268 I HN 0.382 nan 8.210 nan 0.000 0.545 269 N N 8.025 126.796 118.700 0.118 0.000 2.492 269 N HA 0.228 4.983 4.740 0.024 0.000 0.262 269 N C -1.303 174.293 175.510 0.142 0.000 1.202 269 N CA 0.035 53.168 53.050 0.138 0.000 0.926 269 N CB 1.066 39.602 38.487 0.082 0.000 1.078 269 N HN 0.682 nan 8.380 nan 0.000 0.454 270 L N 3.875 125.189 121.223 0.152 0.000 2.472 270 L HA 0.327 4.681 4.340 0.024 0.000 0.260 270 L C -1.241 175.442 176.870 -0.311 0.000 0.963 270 L CA -1.467 53.332 54.840 -0.068 0.000 0.829 270 L CB 2.499 44.530 42.059 -0.046 0.000 1.348 270 L HN 0.509 nan 8.230 nan 0.000 0.408 271 P HA -0.116 nan 4.420 nan 0.000 0.211 271 P C 0.390 177.469 177.300 -0.369 0.000 1.181 271 P CA 1.489 64.465 63.100 -0.208 0.000 0.929 271 P CB -0.008 31.616 31.700 -0.126 0.000 0.789 272 T N -3.985 110.324 114.554 -0.408 0.000 2.926 272 T HA 0.536 4.901 4.350 0.024 0.000 0.289 272 T C -0.617 173.722 174.700 -0.600 0.000 1.054 272 T CA -0.655 61.195 62.100 -0.417 0.000 1.015 272 T CB 1.320 70.111 68.868 -0.128 0.000 1.167 272 T HN 0.050 nan 8.240 nan 0.000 0.526 273 Y N 0.443 120.813 120.300 0.116 0.000 2.516 273 Y HA 0.340 4.902 4.550 0.021 0.000 0.341 273 Y C 1.038 177.086 175.900 0.247 0.000 0.912 273 Y CA -1.165 57.030 58.100 0.158 0.000 1.167 273 Y CB -0.157 38.371 38.460 0.112 0.000 1.195 273 Y HN 0.819 nan 8.280 nan 0.000 0.610 274 T N -2.297 112.399 114.554 0.237 0.000 2.828 274 T HA 0.128 4.493 4.350 0.024 0.000 0.290 274 T C 1.373 176.171 174.700 0.162 0.000 1.019 274 T CA -0.717 61.501 62.100 0.197 0.000 1.031 274 T CB 1.489 70.423 68.868 0.111 0.000 1.001 274 T HN 0.505 nan 8.240 nan 0.000 0.531 275 L N 0.830 122.054 121.223 0.001 0.000 2.013 275 L HA -0.180 4.175 4.340 0.024 0.000 0.212 275 L C 2.999 179.890 176.870 0.034 0.000 1.073 275 L CA 1.791 56.507 54.840 -0.207 0.000 0.753 275 L CB -0.459 41.367 42.059 -0.389 0.000 0.890 275 L HN 0.837 nan 8.230 nan 0.000 0.432 276 E N 0.370 120.612 120.200 0.071 0.000 2.038 276 E HA -0.267 4.098 4.350 0.024 0.000 0.195 276 E C 2.080 178.778 176.600 0.163 0.000 1.000 276 E CA 1.357 57.840 56.400 0.138 0.000 0.803 276 E CB -0.746 29.021 29.700 0.111 0.000 0.750 276 E HN 0.539 nan 8.360 nan 0.000 0.448 277 A N 2.114 125.009 122.820 0.125 0.000 1.859 277 A HA -0.211 4.123 4.320 0.024 0.000 0.218 277 A C 2.759 180.432 177.584 0.148 0.000 1.209 277 A CA 2.625 54.727 52.037 0.109 0.000 0.639 277 A CB -1.204 17.841 19.000 0.074 0.000 0.835 277 A HN 0.162 nan 8.150 nan 0.000 0.450 278 V N -1.589 118.439 119.914 0.189 0.000 2.287 278 V HA -0.310 3.824 4.120 0.024 0.000 0.248 278 V C 2.389 178.614 176.094 0.219 0.000 1.053 278 V CA 2.353 64.776 62.300 0.205 0.000 1.027 278 V CB -1.078 30.869 31.823 0.206 0.000 0.646 278 V HN 0.690 nan 8.190 nan 0.000 0.447 279 Y N 0.912 121.306 120.300 0.157 0.000 2.207 279 Y HA -0.284 4.280 4.550 0.023 0.000 0.287 279 Y C 2.507 178.592 175.900 0.309 0.000 1.156 279 Y CA 2.277 60.538 58.100 0.268 0.000 1.182 279 Y CB -0.148 38.415 38.460 0.172 0.000 0.979 279 Y HN 0.431 nan 8.280 nan 0.000 0.521 280 E N -0.213 120.102 120.200 0.192 0.000 2.001 280 E HA -0.188 4.177 4.350 0.024 0.000 0.193 280 E C 2.404 179.047 176.600 0.073 0.000 0.994 280 E CA 1.381 57.848 56.400 0.111 0.000 0.815 280 E CB -0.562 29.210 29.700 0.120 0.000 0.770 280 E HN 0.413 nan 8.360 nan 0.000 0.453 281 A N 0.561 123.429 122.820 0.080 0.000 2.023 281 A HA -0.276 4.058 4.320 0.024 0.000 0.223 281 A C 2.226 179.828 177.584 0.030 0.000 1.180 281 A CA 2.240 54.313 52.037 0.060 0.000 0.659 281 A CB -0.965 18.084 19.000 0.081 0.000 0.817 281 A HN 0.585 nan 8.150 nan 0.000 0.466 282 I N -4.432 116.134 120.570 -0.007 0.000 3.081 282 I HA 0.210 4.395 4.170 0.024 0.000 0.274 282 I C 0.736 176.749 176.117 -0.173 0.000 1.178 282 I CA 0.708 61.921 61.300 -0.144 0.000 1.460 282 I CB 0.202 38.084 38.000 -0.197 0.000 1.137 282 I HN 0.128 nan 8.210 nan 0.000 0.443 283 F N 0.686 120.531 119.950 -0.175 0.000 2.817 283 F HA 0.825 5.367 4.527 0.024 0.000 0.319 283 F C 1.247 176.966 175.800 -0.135 0.000 1.136 283 F CA -1.123 56.786 58.000 -0.152 0.000 1.177 283 F CB -0.346 38.557 39.000 -0.162 0.000 1.088 283 F HN 0.229 nan 8.300 nan 0.000 0.520 284 G N 0.844 109.706 108.800 0.104 0.000 4.315 284 G HA2 -0.295 3.680 3.960 0.024 0.000 0.280 284 G HA3 -0.295 3.680 3.960 0.024 0.000 0.280 284 G C 0.559 175.485 174.900 0.043 0.000 1.649 284 G CA -0.052 45.082 45.100 0.057 0.000 1.108 284 G HN 0.345 nan 8.290 nan 0.000 0.667 285 K N 1.996 122.416 120.400 0.033 0.000 2.407 285 K HA 0.002 4.337 4.320 0.024 0.000 0.256 285 K C -1.998 174.697 176.600 0.160 0.000 1.000 285 K CA 1.482 57.820 56.287 0.086 0.000 0.940 285 K CB -0.041 32.519 32.500 0.099 0.000 0.871 285 K HN 0.451 nan 8.250 nan 0.000 0.506 286 P HA 0.377 nan 4.420 nan 0.000 0.297 286 P C -0.963 176.435 177.300 0.164 0.000 1.272 286 P CA -0.606 62.597 63.100 0.172 0.000 1.052 286 P CB 2.455 34.215 31.700 0.099 0.000 1.498 287 K N -0.932 119.539 120.400 0.118 0.000 3.124 287 K HA 0.318 4.653 4.320 0.024 0.000 0.255 287 K C -0.682 175.962 176.600 0.074 0.000 1.513 287 K CA -0.045 56.285 56.287 0.072 0.000 1.066 287 K CB 0.498 33.033 32.500 0.059 0.000 2.122 287 K HN 0.403 nan 8.250 nan 0.000 0.398 288 E N 0.836 121.090 120.200 0.090 0.000 4.743 288 E HA 0.060 4.424 4.350 0.024 0.000 0.370 288 E C -1.804 174.870 176.600 0.125 0.000 1.110 288 E CA -0.051 56.398 56.400 0.083 0.000 0.723 288 E CB 0.475 30.231 29.700 0.093 0.000 1.108 288 E HN 0.327 nan 8.360 nan 0.000 0.623 289 K N 0.900 121.332 120.400 0.053 0.000 2.653 289 K HA 0.513 4.847 4.320 0.024 0.000 0.274 289 K C -1.756 174.760 176.600 -0.139 0.000 0.974 289 K CA -0.517 55.829 56.287 0.098 0.000 0.868 289 K CB 1.730 34.379 32.500 0.248 0.000 1.408 289 K HN 0.185 nan 8.250 nan 0.000 0.397 290 V N 3.014 122.740 119.914 -0.315 0.000 5.496 290 V HA 0.051 4.186 4.120 0.024 0.000 0.235 290 V C -1.862 173.904 176.094 -0.546 0.000 1.026 290 V CA -0.735 61.399 62.300 -0.277 0.000 1.447 290 V CB -0.647 31.039 31.823 -0.227 0.000 0.306 290 V HN 0.732 nan 8.190 nan 0.000 0.440 291 Y N 1.283 121.509 120.300 -0.123 0.000 2.621 291 Y HA 0.902 5.467 4.550 0.023 0.000 0.334 291 Y C 0.615 176.487 175.900 -0.046 0.000 1.074 291 Y CA -0.358 57.678 58.100 -0.105 0.000 1.149 291 Y CB 2.267 40.637 38.460 -0.151 0.000 1.302 291 Y HN 0.757 nan 8.280 nan 0.000 0.501 292 A N 0.599 123.524 122.820 0.174 0.000 2.317 292 A HA 0.041 4.376 4.320 0.024 0.000 0.223 292 A C -0.261 177.389 177.584 0.110 0.000 2.882 292 A CA -0.201 51.921 52.037 0.141 0.000 1.701 292 A CB -1.222 17.851 19.000 0.120 0.000 0.192 292 A HN 0.713 nan 8.150 nan 0.000 0.653 293 D N 1.022 121.504 120.400 0.137 0.000 2.395 293 D HA 0.070 4.724 4.640 0.024 0.000 0.226 293 D C 1.345 177.704 176.300 0.098 0.000 1.146 293 D CA 0.706 54.767 54.000 0.102 0.000 0.830 293 D CB 0.337 41.206 40.800 0.114 0.000 0.958 293 D HN 0.423 nan 8.370 nan 0.000 0.501 294 E N 0.665 120.917 120.200 0.088 0.000 2.405 294 E HA -0.083 4.282 4.350 0.024 0.000 0.194 294 E C 1.401 178.010 176.600 0.015 0.000 1.149 294 E CA -0.022 56.402 56.400 0.040 0.000 0.933 294 E CB -0.706 29.021 29.700 0.045 0.000 1.028 294 E HN 0.512 nan 8.360 nan 0.000 0.487 295 I N 0.925 121.511 120.570 0.027 0.000 2.286 295 I HA -0.295 3.889 4.170 0.024 0.000 0.248 295 I C 2.294 178.401 176.117 -0.018 0.000 1.115 295 I CA 1.109 62.419 61.300 0.017 0.000 1.392 295 I CB -0.263 37.755 38.000 0.030 0.000 1.065 295 I HN 0.257 nan 8.210 nan 0.000 0.418 296 A N 0.247 123.053 122.820 -0.024 0.000 2.067 296 A HA -0.347 3.987 4.320 0.024 0.000 0.224 296 A C 2.134 179.656 177.584 -0.104 0.000 1.172 296 A CA 2.361 54.365 52.037 -0.053 0.000 0.662 296 A CB -0.425 18.545 19.000 -0.051 0.000 0.814 296 A HN 0.347 nan 8.150 nan 0.000 0.468 297 K N -0.752 119.576 120.400 -0.120 0.000 2.183 297 K HA 0.532 4.866 4.320 0.024 0.000 0.218 297 K C 1.040 177.512 176.600 -0.213 0.000 1.025 297 K CA 0.592 56.758 56.287 -0.202 0.000 0.944 297 K CB -0.575 31.794 32.500 -0.219 0.000 0.936 297 K HN 0.396 nan 8.250 nan 0.000 0.460 298 A N 0.984 123.708 122.820 -0.160 0.000 2.653 298 A HA -0.076 4.258 4.320 0.024 0.000 0.227 298 A C -0.609 176.869 177.584 -0.177 0.000 1.066 298 A CA 0.525 52.459 52.037 -0.171 0.000 0.771 298 A CB -0.775 18.220 19.000 -0.009 0.000 0.980 298 A HN 0.359 nan 8.150 nan 0.000 0.507 299 W N -0.243 121.054 121.300 -0.005 0.000 2.687 299 W HA 0.224 4.898 4.660 0.023 0.000 0.330 299 W C 0.977 177.493 176.519 -0.006 0.000 1.099 299 W CA 1.563 58.906 57.345 -0.004 0.000 1.337 299 W CB -0.346 29.115 29.460 0.003 0.000 1.164 299 W HN 0.965 nan 8.180 nan 0.000 0.568 300 E N 0.307 120.628 120.200 0.203 0.000 2.663 300 E HA -0.161 4.203 4.350 0.024 0.000 0.190 300 E C -0.261 176.345 176.600 0.010 0.000 1.367 300 E CA 0.303 56.761 56.400 0.097 0.000 0.699 300 E CB -1.290 28.466 29.700 0.093 0.000 1.132 300 E HN 0.388 nan 8.360 nan 0.000 0.402 301 S N 1.200 116.892 115.700 -0.013 0.000 2.526 301 S HA 0.244 4.728 4.470 0.024 0.000 0.247 301 S C 0.585 175.152 174.600 -0.054 0.000 1.076 301 S CA 0.128 58.282 58.200 -0.077 0.000 1.105 301 S CB 0.538 63.668 63.200 -0.116 0.000 0.793 301 S HN 0.503 nan 8.310 nan 0.000 0.458 302 G N 1.164 109.948 108.800 -0.027 0.000 2.441 302 G HA2 0.178 4.153 3.960 0.024 0.000 0.243 302 G HA3 0.178 4.153 3.960 0.024 0.000 0.243 302 G C 0.693 175.571 174.900 -0.036 0.000 1.281 302 G CA -0.257 44.830 45.100 -0.022 0.000 0.854 302 G HN 0.262 nan 8.290 nan 0.000 0.560 303 E N 1.949 122.128 120.200 -0.036 0.000 4.263 303 E HA -0.305 4.059 4.350 0.024 0.000 0.557 303 E C 1.692 178.271 176.600 -0.035 0.000 0.795 303 E CA 1.519 57.895 56.400 -0.040 0.000 3.757 303 E CB -0.227 29.455 29.700 -0.030 0.000 0.789 303 E HN 0.629 nan 8.360 nan 0.000 0.336 304 N N -1.302 117.384 118.700 -0.023 0.000 2.753 304 N HA -0.282 4.472 4.740 0.024 0.000 0.241 304 N C 1.051 176.550 175.510 -0.017 0.000 1.054 304 N CA 1.285 54.327 53.050 -0.012 0.000 0.947 304 N CB -1.279 37.206 38.487 -0.004 0.000 1.141 304 N HN 0.387 nan 8.380 nan 0.000 0.598 305 L N 0.812 122.012 121.223 -0.039 0.000 2.291 305 L HA -0.039 4.315 4.340 0.024 0.000 0.214 305 L C 2.180 179.022 176.870 -0.046 0.000 1.120 305 L CA 1.731 56.538 54.840 -0.055 0.000 0.799 305 L CB -0.237 41.768 42.059 -0.090 0.000 0.925 305 L HN 0.296 nan 8.230 nan 0.000 0.446 306 E N 0.504 120.679 120.200 -0.042 0.000 2.085 306 E HA -0.334 4.030 4.350 0.024 0.000 0.194 306 E C 2.154 178.752 176.600 -0.003 0.000 0.994 306 E CA 1.330 57.707 56.400 -0.038 0.000 0.801 306 E CB -0.156 29.520 29.700 -0.040 0.000 0.743 306 E HN 0.581 nan 8.360 nan 0.000 0.453 307 R N 0.239 120.743 120.500 0.008 0.000 2.109 307 R HA -0.153 4.201 4.340 0.024 0.000 0.227 307 R C 2.603 178.932 176.300 0.048 0.000 1.132 307 R CA 2.060 58.180 56.100 0.034 0.000 0.907 307 R CB -0.624 29.698 30.300 0.037 0.000 0.825 307 R HN 0.105 nan 8.270 nan 0.000 0.432 308 V N 1.192 121.123 119.914 0.028 0.000 2.311 308 V HA -0.385 3.750 4.120 0.024 0.000 0.256 308 V C 2.399 178.521 176.094 0.047 0.000 1.077 308 V CA 2.156 64.474 62.300 0.030 0.000 1.067 308 V CB -0.995 30.820 31.823 -0.013 0.000 0.659 308 V HN 0.648 nan 8.190 nan 0.000 0.451 309 A N -0.103 122.731 122.820 0.023 0.000 1.851 309 A HA -0.315 4.020 4.320 0.024 0.000 0.216 309 A C 2.194 179.834 177.584 0.094 0.000 1.195 309 A CA 2.495 54.556 52.037 0.040 0.000 0.622 309 A CB -0.676 18.341 19.000 0.029 0.000 0.831 309 A HN 0.496 nan 8.150 nan 0.000 0.444 310 K N -0.728 119.754 120.400 0.137 0.000 2.097 310 K HA -0.272 4.063 4.320 0.024 0.000 0.214 310 K C 1.802 178.429 176.600 0.044 0.000 1.052 310 K CA 2.552 58.917 56.287 0.131 0.000 0.932 310 K CB -0.945 31.623 32.500 0.114 0.000 0.716 310 K HN 0.633 nan 8.250 nan 0.000 0.455 311 Y N -0.121 120.131 120.300 -0.081 0.000 2.274 311 Y HA -0.180 4.384 4.550 0.023 0.000 0.290 311 Y C 2.444 178.243 175.900 -0.167 0.000 1.145 311 Y CA 1.756 59.767 58.100 -0.147 0.000 1.203 311 Y CB -0.283 38.035 38.460 -0.238 0.000 0.984 311 Y HN 0.241 nan 8.280 nan 0.000 0.533 312 S N 0.361 115.879 115.700 -0.304 0.000 2.362 312 S HA -0.218 4.266 4.470 0.024 0.000 0.221 312 S C 2.105 176.512 174.600 -0.322 0.000 1.032 312 S CA 1.161 59.116 58.200 -0.408 0.000 0.973 312 S CB -0.507 62.551 63.200 -0.235 0.000 0.849 312 S HN 0.679 nan 8.310 nan 0.000 0.465 313 M N 1.073 120.531 119.600 -0.236 0.000 2.331 313 M HA -0.117 4.378 4.480 0.024 0.000 0.260 313 M C 1.514 177.643 176.300 -0.285 0.000 1.072 313 M CA 1.833 56.958 55.300 -0.291 0.000 1.065 313 M CB -0.337 31.992 32.600 -0.452 0.000 1.392 313 M HN 0.299 nan 8.290 nan 0.000 0.427 314 E N 0.375 120.403 120.200 -0.286 0.000 2.024 314 E HA -0.142 4.222 4.350 0.024 0.000 0.190 314 E C 1.704 178.107 176.600 -0.329 0.000 0.974 314 E CA 1.091 57.322 56.400 -0.282 0.000 0.810 314 E CB -0.145 29.430 29.700 -0.207 0.000 0.775 314 E HN 0.517 nan 8.360 nan 0.000 0.453 315 D N 0.572 120.689 120.400 -0.471 0.000 2.218 315 D HA -0.243 4.411 4.640 0.024 0.000 0.194 315 D C 1.630 177.769 176.300 -0.269 0.000 1.007 315 D CA 1.575 55.311 54.000 -0.441 0.000 0.879 315 D CB -0.181 40.286 40.800 -0.555 0.000 0.918 315 D HN 0.216 nan 8.370 nan 0.000 0.449 316 A N 0.273 122.964 122.820 -0.216 0.000 1.832 316 A HA -0.136 4.198 4.320 0.024 0.000 0.214 316 A C 2.097 179.677 177.584 -0.006 0.000 1.204 316 A CA 1.642 53.626 52.037 -0.088 0.000 0.606 316 A CB -0.534 18.426 19.000 -0.068 0.000 0.849 316 A HN 0.127 nan 8.150 nan 0.000 0.445 317 K N -0.397 119.970 120.400 -0.055 0.000 2.113 317 K HA -0.191 4.144 4.320 0.024 0.000 0.208 317 K C 2.149 178.787 176.600 0.062 0.000 1.047 317 K CA 1.319 57.615 56.287 0.014 0.000 0.928 317 K CB -0.314 32.133 32.500 -0.088 0.000 0.716 317 K HN 0.450 nan 8.250 nan 0.000 0.446 318 A N 0.509 123.273 122.820 -0.093 0.000 1.828 318 A HA -0.176 4.158 4.320 0.024 0.000 0.215 318 A C 2.161 179.813 177.584 0.114 0.000 1.203 318 A CA 2.441 54.424 52.037 -0.090 0.000 0.614 318 A CB -1.361 17.442 19.000 -0.329 0.000 0.844 318 A HN 0.439 nan 8.150 nan 0.000 0.445 319 T N -0.985 113.589 114.554 0.034 0.000 2.653 319 T HA -0.330 4.035 4.350 0.024 0.000 0.267 319 T C 1.760 176.597 174.700 0.228 0.000 1.037 319 T CA 2.144 64.315 62.100 0.118 0.000 1.159 319 T CB -0.722 68.196 68.868 0.084 0.000 0.859 319 T HN 0.534 nan 8.240 nan 0.000 0.449 320 Y N 2.135 122.511 120.300 0.126 0.000 2.070 320 Y HA -0.176 4.389 4.550 0.024 0.000 0.280 320 Y C 2.434 178.462 175.900 0.214 0.000 1.148 320 Y CA 1.726 59.924 58.100 0.165 0.000 1.125 320 Y CB -0.594 37.945 38.460 0.132 0.000 0.975 320 Y HN 0.287 nan 8.280 nan 0.000 0.492 321 E N 0.058 120.377 120.200 0.200 0.000 2.130 321 E HA -0.237 4.127 4.350 0.024 0.000 0.196 321 E C 2.216 178.994 176.600 0.296 0.000 0.998 321 E CA 1.606 58.139 56.400 0.222 0.000 0.806 321 E CB -0.306 29.654 29.700 0.434 0.000 0.738 321 E HN 0.526 nan 8.360 nan 0.000 0.459 322 L N -0.150 121.268 121.223 0.325 0.000 2.044 322 L HA -0.056 4.299 4.340 0.024 0.000 0.205 322 L C 2.628 179.647 176.870 0.249 0.000 1.075 322 L CA 1.023 56.030 54.840 0.278 0.000 0.747 322 L CB -0.823 41.342 42.059 0.176 0.000 0.903 322 L HN 0.229 nan 8.230 nan 0.000 0.435 323 G N 0.316 109.231 108.800 0.193 0.000 2.529 323 G HA2 -0.378 3.596 3.960 0.024 0.000 0.219 323 G HA3 -0.378 3.596 3.960 0.024 0.000 0.219 323 G C 1.615 176.572 174.900 0.095 0.000 1.177 323 G CA 1.202 46.444 45.100 0.238 0.000 0.773 323 G HN 0.163 nan 8.290 nan 0.000 0.573 324 K N 0.169 120.517 120.400 -0.088 0.000 2.160 324 K HA -0.078 4.257 4.320 0.024 0.000 0.206 324 K C 2.361 178.950 176.600 -0.019 0.000 1.047 324 K CA 1.589 57.797 56.287 -0.132 0.000 0.930 324 K CB -0.161 32.206 32.500 -0.222 0.000 0.720 324 K HN 0.379 nan 8.250 nan 0.000 0.450 325 E N -1.148 119.104 120.200 0.086 0.000 2.042 325 E HA 0.018 4.382 4.350 0.024 0.000 0.189 325 E C 1.244 177.903 176.600 0.099 0.000 0.974 325 E CA 1.069 57.538 56.400 0.115 0.000 0.806 325 E CB -0.163 29.617 29.700 0.133 0.000 0.769 325 E HN 0.244 nan 8.360 nan 0.000 0.451 326 F N -0.013 119.941 119.950 0.006 0.000 2.780 326 F HA 0.150 4.691 4.527 0.024 0.000 0.299 326 F C 1.810 177.590 175.800 -0.033 0.000 1.146 326 F CA 0.167 58.189 58.000 0.037 0.000 1.428 326 F CB 0.037 39.123 39.000 0.142 0.000 1.115 326 F HN 0.073 nan 8.300 nan 0.000 0.583 327 L N 0.498 121.720 121.223 -0.002 0.000 2.072 327 L HA -0.054 4.300 4.340 0.024 0.000 0.205 327 L C -0.611 176.041 176.870 -0.363 0.000 1.079 327 L CA 1.360 56.009 54.840 -0.318 0.000 0.752 327 L CB -1.132 40.716 42.059 -0.352 0.000 0.906 327 L HN -0.058 nan 8.230 nan 0.000 0.436 328 P HA -0.179 nan 4.420 nan 0.000 0.220 328 P C 1.449 178.462 177.300 -0.478 0.000 1.148 328 P CA 1.125 63.830 63.100 -0.659 0.000 0.803 328 P CB 0.017 30.830 31.700 -1.479 0.000 0.782 329 M N 0.367 119.766 119.600 -0.336 0.000 2.059 329 M HA -0.148 4.346 4.480 0.024 0.000 0.259 329 M C 1.713 177.945 176.300 -0.113 0.000 1.072 329 M CA 1.932 57.147 55.300 -0.142 0.000 1.117 329 M CB -1.231 31.312 32.600 -0.095 0.000 1.320 329 M HN -0.255 nan 8.290 nan 0.000 0.408 330 E N 0.317 120.451 120.200 -0.110 0.000 2.153 330 E HA -0.148 4.217 4.350 0.024 0.000 0.194 330 E C 2.153 178.681 176.600 -0.120 0.000 0.988 330 E CA 1.170 57.520 56.400 -0.084 0.000 0.811 330 E CB -0.564 29.090 29.700 -0.077 0.000 0.746 330 E HN 0.514 nan 8.360 nan 0.000 0.466 331 I N 1.556 122.016 120.570 -0.184 0.000 2.179 331 I HA -0.237 3.947 4.170 0.024 0.000 0.242 331 I C 2.318 178.380 176.117 -0.091 0.000 1.088 331 I CA 1.231 62.441 61.300 -0.149 0.000 1.357 331 I CB -1.145 36.749 38.000 -0.177 0.000 1.051 331 I HN 0.118 nan 8.210 nan 0.000 0.409 332 Q N 0.374 120.117 119.800 -0.095 0.000 2.119 332 Q HA -0.083 4.272 4.340 0.024 0.000 0.201 332 Q C 2.448 178.435 176.000 -0.022 0.000 0.972 332 Q CA 1.130 56.906 55.803 -0.046 0.000 0.847 332 Q CB -0.377 28.342 28.738 -0.031 0.000 0.903 332 Q HN 0.501 nan 8.270 nan 0.000 0.433 333 L N 0.511 121.718 121.223 -0.025 0.000 2.141 333 L HA -0.132 4.223 4.340 0.024 0.000 0.209 333 L C 2.359 179.243 176.870 0.025 0.000 1.094 333 L CA 0.832 55.670 54.840 -0.002 0.000 0.763 333 L CB -0.280 41.779 42.059 -0.000 0.000 0.908 333 L HN 0.088 nan 8.230 nan 0.000 0.437 334 S N -0.487 115.218 115.700 0.008 0.000 2.382 334 S HA -0.207 4.278 4.470 0.024 0.000 0.228 334 S C 2.006 176.624 174.600 0.030 0.000 1.027 334 S CA 1.220 59.431 58.200 0.018 0.000 0.991 334 S CB -0.263 62.934 63.200 -0.006 0.000 0.823 334 S HN 0.364 nan 8.310 nan 0.000 0.469 335 R N 0.972 121.482 120.500 0.018 0.000 2.062 335 R HA 0.054 4.409 4.340 0.024 0.000 0.231 335 R C 2.200 178.537 176.300 0.061 0.000 1.136 335 R CA 0.992 57.108 56.100 0.026 0.000 0.948 335 R CB -0.394 29.912 30.300 0.010 0.000 0.845 335 R HN 0.311 nan 8.270 nan 0.000 0.430 336 L N -0.020 121.246 121.223 0.072 0.000 2.012 336 L HA -0.190 4.165 4.340 0.024 0.000 0.210 336 L C 2.420 179.431 176.870 0.235 0.000 1.073 336 L CA 1.133 56.055 54.840 0.136 0.000 0.748 336 L CB -0.372 41.732 42.059 0.075 0.000 0.891 336 L HN 0.093 nan 8.230 nan 0.000 0.431 337 V N -0.384 119.648 119.914 0.197 0.000 2.515 337 V HA -0.069 4.065 4.120 0.024 0.000 0.250 337 V C 1.566 177.762 176.094 0.169 0.000 1.058 337 V CA 1.498 63.946 62.300 0.248 0.000 1.064 337 V CB -0.537 31.422 31.823 0.227 0.000 0.675 337 V HN 0.770 nan 8.190 nan 0.000 0.461 338 G N -0.305 108.554 108.800 0.098 0.000 2.142 338 G HA2 -0.172 3.803 3.960 0.024 0.000 0.225 338 G HA3 -0.172 3.803 3.960 0.024 0.000 0.225 338 G C -0.051 174.857 174.900 0.015 0.000 1.015 338 G CA 0.224 45.354 45.100 0.050 0.000 0.716 338 G HN 0.461 nan 8.290 nan 0.000 0.508 339 Q N -1.100 118.704 119.800 0.007 0.000 2.668 339 Q HA 0.615 4.969 4.340 0.024 0.000 0.298 339 Q C -2.853 173.136 176.000 -0.018 0.000 1.071 339 Q CA -1.727 54.047 55.803 -0.047 0.000 0.789 339 Q CB 1.985 30.644 28.738 -0.131 0.000 1.497 339 Q HN 0.197 nan 8.270 nan 0.000 0.460 340 P HA 0.184 nan 4.420 nan 0.000 0.288 340 P C 0.463 177.798 177.300 0.058 0.000 1.267 340 P CA -0.499 62.615 63.100 0.023 0.000 0.815 340 P CB 0.778 32.494 31.700 0.026 0.000 0.989 341 L N 2.844 124.100 121.223 0.055 0.000 2.131 341 L HA -0.058 4.297 4.340 0.024 0.000 0.210 341 L C 1.876 178.828 176.870 0.136 0.000 1.092 341 L CA 1.643 56.518 54.840 0.059 0.000 0.759 341 L CB -1.241 40.822 42.059 0.007 0.000 0.903 341 L HN 0.499 nan 8.230 nan 0.000 0.435 342 W N 0.538 121.820 121.300 -0.031 0.000 2.363 342 W HA -0.194 4.482 4.660 0.026 0.000 0.296 342 W C 2.018 178.515 176.519 -0.035 0.000 1.212 342 W CA 1.691 59.018 57.345 -0.029 0.000 1.260 342 W CB -0.048 29.377 29.460 -0.058 0.000 1.131 342 W HN 0.200 nan 8.180 nan 0.000 0.530 343 D N 0.415 121.015 120.400 0.333 0.000 2.075 343 D HA -0.224 4.430 4.640 0.024 0.000 0.196 343 D C 2.342 178.622 176.300 -0.033 0.000 0.985 343 D CA 2.208 56.277 54.000 0.116 0.000 0.834 343 D CB -0.956 39.940 40.800 0.160 0.000 0.987 343 D HN 0.113 nan 8.370 nan 0.000 0.452 344 V N 1.563 121.485 119.914 0.013 0.000 2.313 344 V HA -0.291 3.844 4.120 0.024 0.000 0.253 344 V C 2.600 178.700 176.094 0.010 0.000 1.070 344 V CA 1.957 64.271 62.300 0.023 0.000 1.057 344 V CB -0.599 31.241 31.823 0.028 0.000 0.653 344 V HN 0.146 nan 8.190 nan 0.000 0.450 345 S N -0.739 114.957 115.700 -0.007 0.000 2.400 345 S HA -0.159 4.326 4.470 0.024 0.000 0.232 345 S C 1.514 176.048 174.600 -0.111 0.000 1.025 345 S CA 1.325 59.522 58.200 -0.006 0.000 0.993 345 S CB -0.275 62.914 63.200 -0.018 0.000 0.808 345 S HN 0.619 nan 8.310 nan 0.000 0.478 346 R N 1.417 121.807 120.500 -0.183 0.000 2.831 346 R HA 0.241 4.596 4.340 0.024 0.000 0.337 346 R C -0.509 175.779 176.300 -0.021 0.000 1.200 346 R CA -0.136 55.880 56.100 -0.139 0.000 1.088 346 R CB 0.441 30.534 30.300 -0.345 0.000 1.397 346 R HN 0.301 nan 8.270 nan 0.000 0.581 347 S N -1.006 114.705 115.700 0.018 0.000 2.540 347 S HA 0.371 4.856 4.470 0.024 0.000 0.275 347 S C 0.053 174.684 174.600 0.052 0.000 1.123 347 S CA -1.003 57.239 58.200 0.070 0.000 0.907 347 S CB 1.827 65.110 63.200 0.139 0.000 1.081 347 S HN 0.192 nan 8.310 nan 0.000 0.476 348 S N 1.229 116.955 115.700 0.043 0.000 2.560 348 S HA 0.120 4.604 4.470 0.024 0.000 0.276 348 S C 1.579 176.168 174.600 -0.017 0.000 1.350 348 S CA 0.234 58.428 58.200 -0.009 0.000 1.024 348 S CB -0.086 63.090 63.200 -0.039 0.000 0.864 348 S HN 1.311 nan 8.310 nan 0.000 0.536 349 T N -0.841 113.680 114.554 -0.056 0.000 2.881 349 T HA 0.003 4.368 4.350 0.024 0.000 0.270 349 T C 2.003 176.640 174.700 -0.105 0.000 1.068 349 T CA 1.064 63.124 62.100 -0.066 0.000 1.131 349 T CB -1.364 67.456 68.868 -0.080 0.000 0.871 349 T HN 0.881 nan 8.240 nan 0.000 0.479 350 G N 1.647 110.335 108.800 -0.188 0.000 2.469 350 G HA2 -0.312 3.662 3.960 0.024 0.000 0.219 350 G HA3 -0.312 3.662 3.960 0.024 0.000 0.219 350 G C 1.776 176.644 174.900 -0.053 0.000 1.150 350 G CA 0.859 45.760 45.100 -0.331 0.000 0.763 350 G HN 0.505 nan 8.290 nan 0.000 0.561 351 N N 0.113 118.838 118.700 0.041 0.000 2.250 351 N HA 0.071 4.826 4.740 0.024 0.000 0.181 351 N C 2.439 178.078 175.510 0.215 0.000 1.017 351 N CA 0.391 53.554 53.050 0.189 0.000 0.866 351 N CB -0.120 38.526 38.487 0.265 0.000 0.985 351 N HN 0.293 nan 8.380 nan 0.000 0.429 352 L N 0.557 121.886 121.223 0.177 0.000 2.079 352 L HA -0.160 4.195 4.340 0.024 0.000 0.210 352 L C 2.273 179.228 176.870 0.141 0.000 1.081 352 L CA 0.820 55.781 54.840 0.202 0.000 0.752 352 L CB -0.468 41.642 42.059 0.085 0.000 0.896 352 L HN -0.024 nan 8.230 nan 0.000 0.433 353 V N -0.134 119.763 119.914 -0.030 0.000 2.295 353 V HA -0.296 3.839 4.120 0.024 0.000 0.246 353 V C 2.466 178.480 176.094 -0.133 0.000 1.049 353 V CA 2.043 64.205 62.300 -0.230 0.000 1.024 353 V CB -0.437 31.048 31.823 -0.563 0.000 0.648 353 V HN 0.472 nan 8.190 nan 0.000 0.447 354 E N -0.821 119.364 120.200 -0.025 0.000 2.077 354 E HA -0.257 4.107 4.350 0.024 0.000 0.193 354 E C 1.976 178.486 176.600 -0.150 0.000 0.989 354 E CA 1.954 58.335 56.400 -0.033 0.000 0.800 354 E CB -0.232 29.463 29.700 -0.009 0.000 0.746 354 E HN 0.722 nan 8.360 nan 0.000 0.452 355 W N -0.647 120.753 121.300 0.166 0.000 2.467 355 W HA -0.030 4.643 4.660 0.023 0.000 0.275 355 W C 1.875 178.459 176.519 0.108 0.000 1.239 355 W CA 0.014 57.443 57.345 0.141 0.000 1.266 355 W CB -0.272 29.264 29.460 0.127 0.000 1.112 355 W HN 0.135 nan 8.180 nan 0.000 0.576 356 F N 0.681 120.694 119.950 0.105 0.000 2.269 356 F HA -0.154 4.387 4.527 0.024 0.000 0.301 356 F C 1.734 177.519 175.800 -0.025 0.000 1.082 356 F CA 1.621 59.634 58.000 0.023 0.000 1.360 356 F CB -0.307 38.648 39.000 -0.074 0.000 1.041 356 F HN -0.207 nan 8.300 nan 0.000 0.512 357 L N -1.088 120.043 121.223 -0.153 0.000 2.253 357 L HA -0.060 4.295 4.340 0.024 0.000 0.205 357 L C 2.297 179.181 176.870 0.024 0.000 1.078 357 L CA 0.408 55.080 54.840 -0.279 0.000 0.805 357 L CB -0.712 41.036 42.059 -0.518 0.000 0.963 357 L HN 0.062 nan 8.230 nan 0.000 0.459 358 L N 0.068 121.403 121.223 0.186 0.000 2.127 358 L HA -0.223 4.132 4.340 0.024 0.000 0.211 358 L C 2.815 179.841 176.870 0.261 0.000 1.089 358 L CA 1.409 56.432 54.840 0.305 0.000 0.757 358 L CB -0.467 41.761 42.059 0.280 0.000 0.899 358 L HN 0.249 nan 8.230 nan 0.000 0.434 359 R N -0.133 120.460 120.500 0.155 0.000 2.119 359 R HA -0.087 4.268 4.340 0.024 0.000 0.222 359 R C 1.833 178.158 176.300 0.041 0.000 1.088 359 R CA 0.758 56.916 56.100 0.097 0.000 0.984 359 R CB 0.199 30.520 30.300 0.035 0.000 0.884 359 R HN 0.070 nan 8.270 nan 0.000 0.447 360 K N -0.104 120.238 120.400 -0.097 0.000 2.426 360 K HA 0.120 4.455 4.320 0.024 0.000 0.193 360 K C 1.350 178.081 176.600 0.219 0.000 1.028 360 K CA 0.725 56.965 56.287 -0.078 0.000 1.047 360 K CB 0.612 32.858 32.500 -0.423 0.000 0.821 360 K HN 0.214 nan 8.250 nan 0.000 0.513 361 A N -0.453 122.545 122.820 0.297 0.000 1.984 361 A HA -0.078 4.257 4.320 0.024 0.000 0.214 361 A C 2.066 179.768 177.584 0.198 0.000 1.173 361 A CA 0.505 52.703 52.037 0.268 0.000 0.673 361 A CB -0.384 18.836 19.000 0.367 0.000 0.830 361 A HN 0.279 nan 8.150 nan 0.000 0.453 362 Y N 0.797 121.179 120.300 0.137 0.000 2.114 362 Y HA -0.148 4.416 4.550 0.024 0.000 0.284 362 Y C 2.263 178.211 175.900 0.081 0.000 1.119 362 Y CA 2.163 60.338 58.100 0.126 0.000 1.108 362 Y CB -0.340 38.203 38.460 0.139 0.000 0.995 362 Y HN 0.403 nan 8.280 nan 0.000 0.491 363 E N 0.036 120.402 120.200 0.277 0.000 2.197 363 E HA -0.292 4.073 4.350 0.024 0.000 0.205 363 E C 1.545 178.170 176.600 0.042 0.000 1.029 363 E CA 1.885 58.370 56.400 0.142 0.000 0.828 363 E CB -0.231 29.535 29.700 0.111 0.000 0.737 363 E HN 0.617 nan 8.360 nan 0.000 0.464 364 R N 0.163 120.695 120.500 0.054 0.000 2.468 364 R HA 0.198 4.553 4.340 0.024 0.000 0.280 364 R C 0.013 176.291 176.300 -0.037 0.000 0.963 364 R CA 0.153 56.271 56.100 0.029 0.000 1.083 364 R CB -0.179 30.183 30.300 0.105 0.000 1.200 364 R HN -0.049 nan 8.270 nan 0.000 0.541 365 N N 1.759 120.404 118.700 -0.091 0.000 2.699 365 N HA -0.219 4.535 4.740 0.024 0.000 0.257 365 N C -1.472 173.960 175.510 -0.130 0.000 1.077 365 N CA 0.907 53.874 53.050 -0.139 0.000 0.702 365 N CB -0.582 37.825 38.487 -0.134 0.000 0.886 365 N HN 0.642 nan 8.380 nan 0.000 0.549 366 E N 0.406 120.534 120.200 -0.119 0.000 2.265 366 E HA 0.461 4.826 4.350 0.024 0.000 0.262 366 E C -0.770 175.766 176.600 -0.106 0.000 0.889 366 E CA -0.813 55.485 56.400 -0.169 0.000 0.789 366 E CB 1.397 30.916 29.700 -0.301 0.000 1.221 366 E HN 0.153 nan 8.360 nan 0.000 0.414 367 V N 3.080 122.907 119.914 -0.146 0.000 2.763 367 V HA 0.324 4.458 4.120 0.024 0.000 0.306 367 V C 0.588 176.594 176.094 -0.148 0.000 1.059 367 V CA 0.587 62.814 62.300 -0.122 0.000 1.138 367 V CB 0.868 32.523 31.823 -0.281 0.000 0.940 367 V HN 0.844 nan 8.190 nan 0.000 0.489 368 A N 7.486 130.265 122.820 -0.068 0.000 2.331 368 A HA 0.674 5.008 4.320 0.024 0.000 0.283 368 A C -2.282 175.106 177.584 -0.327 0.000 1.142 368 A CA -1.562 50.281 52.037 -0.323 0.000 0.812 368 A CB 0.276 19.217 19.000 -0.099 0.000 1.074 368 A HN 0.689 nan 8.150 nan 0.000 0.497 369 P HA 0.058 nan 4.420 nan 0.000 0.271 369 P C -0.244 177.004 177.300 -0.088 0.000 1.233 369 P CA -0.238 62.745 63.100 -0.195 0.000 0.789 369 P CB 0.503 31.875 31.700 -0.546 0.000 0.951 370 N N 0.996 119.758 118.700 0.104 0.000 2.445 370 N HA 0.150 4.905 4.740 0.024 0.000 0.264 370 N C 0.209 175.702 175.510 -0.029 0.000 1.227 370 N CA -0.285 52.762 53.050 -0.005 0.000 0.963 370 N CB 0.606 39.144 38.487 0.083 0.000 1.188 370 N HN 0.301 nan 8.380 nan 0.000 0.491 371 K N 0.824 121.193 120.400 -0.052 0.000 2.187 371 K HA 0.198 4.532 4.320 0.024 0.000 0.247 371 K C -2.094 174.521 176.600 0.026 0.000 1.019 371 K CA -0.802 55.475 56.287 -0.018 0.000 0.893 371 K CB -0.180 32.312 32.500 -0.013 0.000 1.025 371 K HN 0.338 nan 8.250 nan 0.000 0.500 372 P HA 0.011 nan 4.420 nan 0.000 0.274 372 P C -0.528 176.808 177.300 0.061 0.000 1.231 372 P CA -0.379 62.747 63.100 0.043 0.000 0.790 372 P CB 1.111 32.840 31.700 0.047 0.000 0.951 373 S N 0.913 116.643 115.700 0.051 0.000 2.618 373 S HA 0.047 4.532 4.470 0.024 0.000 0.254 373 S C 1.280 175.894 174.600 0.023 0.000 1.284 373 S CA 0.160 58.379 58.200 0.032 0.000 0.975 373 S CB 0.106 63.319 63.200 0.023 0.000 1.022 373 S HN 0.356 nan 8.310 nan 0.000 0.571 374 E N 0.232 120.426 120.200 -0.009 0.000 2.112 374 E HA 0.013 4.378 4.350 0.024 0.000 0.190 374 E C 2.006 178.631 176.600 0.041 0.000 0.979 374 E CA 1.270 57.648 56.400 -0.037 0.000 0.814 374 E CB -0.459 29.212 29.700 -0.049 0.000 0.762 374 E HN 0.769 nan 8.360 nan 0.000 0.460 375 E N 0.129 120.347 120.200 0.031 0.000 2.028 375 E HA -0.180 4.184 4.350 0.024 0.000 0.190 375 E C 1.927 178.548 176.600 0.034 0.000 0.984 375 E CA 1.022 57.441 56.400 0.032 0.000 0.800 375 E CB -0.042 29.666 29.700 0.013 0.000 0.758 375 E HN 0.204 nan 8.360 nan 0.000 0.448 376 E N -0.452 119.761 120.200 0.022 0.000 2.118 376 E HA -0.238 4.127 4.350 0.024 0.000 0.195 376 E C 1.767 178.336 176.600 -0.051 0.000 0.992 376 E CA 1.270 57.657 56.400 -0.021 0.000 0.804 376 E CB -0.184 29.503 29.700 -0.022 0.000 0.741 376 E HN 0.380 nan 8.360 nan 0.000 0.458 377 Y N -0.158 120.067 120.300 -0.126 0.000 2.457 377 Y HA -0.125 4.438 4.550 0.021 0.000 0.292 377 Y C 2.060 177.897 175.900 -0.105 0.000 1.125 377 Y CA 0.560 58.572 58.100 -0.146 0.000 1.254 377 Y CB 0.303 38.692 38.460 -0.118 0.000 1.012 377 Y HN 0.038 nan 8.280 nan 0.000 0.555 378 Q N 0.834 120.741 119.800 0.178 0.000 2.016 378 Q HA -0.134 4.220 4.340 0.024 0.000 0.200 378 Q C 2.190 178.190 176.000 -0.001 0.000 0.978 378 Q CA 1.477 57.351 55.803 0.119 0.000 0.833 378 Q CB -0.406 28.376 28.738 0.074 0.000 0.895 378 Q HN 0.459 nan 8.270 nan 0.000 0.427 379 R N 0.145 120.623 120.500 -0.038 0.000 2.171 379 R HA -0.198 4.157 4.340 0.024 0.000 0.232 379 R C 2.291 178.519 176.300 -0.120 0.000 1.116 379 R CA 2.199 58.256 56.100 -0.071 0.000 0.901 379 R CB -0.330 29.922 30.300 -0.081 0.000 0.850 379 R HN 0.206 nan 8.270 nan 0.000 0.431 380 R N 0.211 120.593 120.500 -0.198 0.000 2.227 380 R HA -0.252 4.103 4.340 0.024 0.000 0.259 380 R C 2.197 178.392 176.300 -0.176 0.000 1.139 380 R CA 2.261 58.219 56.100 -0.237 0.000 0.969 380 R CB -1.052 28.964 30.300 -0.472 0.000 0.903 380 R HN 0.266 nan 8.270 nan 0.000 0.452 381 L N 0.404 121.517 121.223 -0.183 0.000 2.661 381 L HA -0.117 4.238 4.340 0.024 0.000 0.236 381 L C 1.296 178.113 176.870 -0.087 0.000 1.176 381 L CA 0.773 55.556 54.840 -0.095 0.000 0.836 381 L CB -0.455 41.580 42.059 -0.039 0.000 0.960 381 L HN 0.092 nan 8.230 nan 0.000 0.455 382 R N 1.499 121.923 120.500 -0.127 0.000 2.204 382 R HA 0.090 4.445 4.340 0.024 0.000 0.341 382 R C 0.988 177.125 176.300 -0.272 0.000 1.035 382 R CA -0.220 55.794 56.100 -0.142 0.000 0.887 382 R CB 0.555 30.794 30.300 -0.100 0.000 1.114 382 R HN 0.332 nan 8.270 nan 0.000 0.473 383 E N 2.792 122.852 120.200 -0.234 0.000 4.351 383 E HA -0.325 4.039 4.350 0.024 0.000 0.572 383 E C 0.013 176.371 176.600 -0.403 0.000 1.519 383 E CA 1.228 57.475 56.400 -0.255 0.000 3.777 383 E CB -0.272 29.371 29.700 -0.095 0.000 0.723 383 E HN 0.530 nan 8.360 nan 0.000 0.311 384 S N -0.256 115.351 115.700 -0.156 0.000 3.034 384 S HA -0.290 4.195 4.470 0.024 0.000 0.424 384 S C 0.279 174.855 174.600 -0.040 0.000 0.994 384 S CA 1.146 59.314 58.200 -0.054 0.000 1.125 384 S CB -1.546 61.636 63.200 -0.030 0.000 0.844 384 S HN 0.440 nan 8.310 nan 0.000 0.491 385 Y N 0.720 121.047 120.300 0.046 0.000 1.346 385 Y HA -0.308 4.256 4.550 0.023 0.000 0.089 385 Y C 2.098 178.032 175.900 0.058 0.000 0.611 385 Y CA 1.874 60.000 58.100 0.044 0.000 0.314 385 Y CB -0.818 37.655 38.460 0.022 0.000 0.545 385 Y HN 0.323 nan 8.280 nan 0.000 0.801 386 T N -1.220 113.505 114.554 0.286 0.000 4.713 386 T HA 0.224 4.588 4.350 0.024 0.000 0.291 386 T C -0.135 174.685 174.700 0.201 0.000 0.916 386 T CA 0.152 62.369 62.100 0.195 0.000 0.980 386 T CB -0.383 68.584 68.868 0.165 0.000 0.915 386 T HN 0.775 nan 8.240 nan 0.000 0.429 387 G N 0.983 109.916 108.800 0.221 0.000 2.494 387 G HA2 0.466 4.440 3.960 0.024 0.000 0.297 387 G HA3 0.466 4.440 3.960 0.024 0.000 0.297 387 G C 1.132 176.179 174.900 0.245 0.000 0.971 387 G CA 0.436 45.684 45.100 0.247 0.000 1.378 387 G HN 0.658 nan 8.290 nan 0.000 0.456 388 G N 2.541 111.500 108.800 0.264 0.000 2.667 388 G HA2 -0.321 3.653 3.960 0.024 0.000 0.379 388 G HA3 -0.321 3.653 3.960 0.024 0.000 0.379 388 G C 0.196 175.368 174.900 0.452 0.000 1.236 388 G CA 0.636 45.947 45.100 0.352 0.000 0.946 388 G HN 0.548 nan 8.290 nan 0.000 0.573 389 F N -1.096 118.913 119.950 0.099 0.000 2.403 389 F HA 0.659 5.200 4.527 0.024 0.000 0.326 389 F C 1.139 176.983 175.800 0.074 0.000 1.081 389 F CA -0.672 57.373 58.000 0.075 0.000 1.041 389 F CB 2.053 41.071 39.000 0.031 0.000 1.234 389 F HN 0.150 nan 8.300 nan 0.000 0.503 390 V N 0.379 120.393 119.914 0.168 0.000 3.623 390 V HA 0.051 4.186 4.120 0.024 0.000 0.283 390 V C -0.031 176.127 176.094 0.107 0.000 1.643 390 V CA -0.623 61.783 62.300 0.177 0.000 1.121 390 V CB -0.336 31.603 31.823 0.192 0.000 0.933 390 V HN 0.738 nan 8.190 nan 0.000 0.420 391 K N 1.777 122.147 120.400 -0.050 0.000 2.362 391 K HA -0.214 4.120 4.320 0.024 0.000 0.241 391 K C 0.329 176.970 176.600 0.069 0.000 1.168 391 K CA 1.032 57.283 56.287 -0.060 0.000 1.153 391 K CB 0.213 32.605 32.500 -0.179 0.000 0.650 391 K HN 0.334 nan 8.250 nan 0.000 0.383 392 E N 1.763 121.998 120.200 0.059 0.000 2.349 392 E HA 0.197 4.562 4.350 0.024 0.000 0.265 392 E C -2.162 174.491 176.600 0.089 0.000 1.064 392 E CA -1.755 54.696 56.400 0.085 0.000 0.886 392 E CB 0.653 30.385 29.700 0.053 0.000 1.036 392 E HN 0.291 nan 8.360 nan 0.000 0.413 393 P HA 0.088 nan 4.420 nan 0.000 0.275 393 P C -0.611 176.741 177.300 0.086 0.000 1.227 393 P CA -0.247 62.878 63.100 0.041 0.000 0.781 393 P CB 0.530 32.187 31.700 -0.072 0.000 0.906 394 E N 3.122 123.387 120.200 0.108 0.000 1.944 394 E HA 0.044 4.408 4.350 0.024 0.000 0.272 394 E C 0.142 176.996 176.600 0.424 0.000 1.195 394 E CA 0.076 56.615 56.400 0.232 0.000 0.926 394 E CB -0.145 29.677 29.700 0.204 0.000 1.051 394 E HN 0.352 nan 8.360 nan 0.000 0.404 395 K N 0.684 121.230 120.400 0.244 0.000 2.393 395 K HA 0.225 4.559 4.320 0.024 0.000 0.264 395 K C 0.771 177.414 176.600 0.071 0.000 0.979 395 K CA 0.635 56.997 56.287 0.124 0.000 0.893 395 K CB 0.192 32.669 32.500 -0.038 0.000 0.967 395 K HN 0.653 nan 8.250 nan 0.000 0.521 396 G N -0.259 108.394 108.800 -0.245 0.000 2.674 396 G HA2 -0.132 3.842 3.960 0.024 0.000 0.686 396 G HA3 -0.132 3.842 3.960 0.024 0.000 0.686 396 G C -1.090 173.563 174.900 -0.412 0.000 1.195 396 G CA -1.016 43.803 45.100 -0.468 0.000 0.776 396 G HN 0.448 nan 8.290 nan 0.000 0.654 397 L N 1.036 122.152 121.223 -0.179 0.000 2.477 397 L HA 0.513 4.868 4.340 0.024 0.000 0.272 397 L C -0.232 176.526 176.870 -0.188 0.000 1.157 397 L CA 0.296 55.167 54.840 0.051 0.000 0.889 397 L CB -0.034 42.106 42.059 0.135 0.000 1.158 397 L HN 0.651 nan 8.230 nan 0.000 0.473 398 W N 4.685 126.110 121.300 0.209 0.000 2.850 398 W HA 0.497 5.171 4.660 0.023 0.000 0.349 398 W C -0.025 176.579 176.519 0.142 0.000 1.133 398 W CA -0.525 56.924 57.345 0.174 0.000 1.117 398 W CB 1.240 30.831 29.460 0.218 0.000 1.442 398 W HN 0.490 nan 8.180 nan 0.000 0.575 399 E N 0.099 120.552 120.200 0.422 0.000 2.431 399 E HA 0.293 4.658 4.350 0.024 0.000 0.268 399 E C -0.444 176.279 176.600 0.205 0.000 0.953 399 E CA -0.799 55.750 56.400 0.248 0.000 0.810 399 E CB 0.828 30.641 29.700 0.188 0.000 1.369 399 E HN 0.542 nan 8.360 nan 0.000 0.440 400 N N 0.910 119.671 118.700 0.102 0.000 2.700 400 N HA -0.161 4.593 4.740 0.024 0.000 0.265 400 N C -0.201 175.352 175.510 0.073 0.000 0.975 400 N CA 0.983 54.075 53.050 0.071 0.000 0.800 400 N CB -1.225 37.499 38.487 0.395 0.000 0.908 400 N HN 0.428 nan 8.380 nan 0.000 0.551 401 I N 0.127 120.653 120.570 -0.074 0.000 2.519 401 I HA 0.226 4.410 4.170 0.024 0.000 0.287 401 I C 0.983 177.159 176.117 0.098 0.000 1.047 401 I CA -0.365 61.003 61.300 0.114 0.000 1.381 401 I CB 1.302 39.475 38.000 0.287 0.000 1.417 401 I HN -0.183 nan 8.210 nan 0.000 0.540 402 V N 6.822 126.869 119.914 0.221 0.000 2.540 402 V HA 0.285 4.420 4.120 0.024 0.000 0.302 402 V C -1.035 175.082 176.094 0.038 0.000 1.035 402 V CA -0.623 61.795 62.300 0.196 0.000 0.873 402 V CB 2.249 34.284 31.823 0.354 0.000 0.992 402 V HN 0.545 nan 8.190 nan 0.000 0.428 403 Y N 6.306 126.434 120.300 -0.286 0.000 2.331 403 Y HA 0.675 5.240 4.550 0.024 0.000 0.338 403 Y C -0.736 174.917 175.900 -0.412 0.000 0.976 403 Y CA -0.920 56.898 58.100 -0.469 0.000 1.137 403 Y CB 1.261 39.418 38.460 -0.505 0.000 1.172 403 Y HN 0.489 nan 8.280 nan 0.000 0.478 404 L N 6.252 126.861 121.223 -1.023 0.000 2.298 404 L HA 0.374 4.728 4.340 0.024 0.000 0.284 404 L C -0.569 175.737 176.870 -0.940 0.000 1.013 404 L CA -0.846 53.524 54.840 -0.784 0.000 0.824 404 L CB 1.284 43.089 42.059 -0.424 0.000 1.221 404 L HN 0.570 nan 8.230 nan 0.000 0.418 405 D N 1.297 121.288 120.400 -0.682 0.000 2.264 405 D HA 0.246 4.901 4.640 0.024 0.000 0.249 405 D C -1.210 174.860 176.300 -0.382 0.000 1.070 405 D CA 0.218 53.964 54.000 -0.423 0.000 0.912 405 D CB 0.862 41.529 40.800 -0.221 0.000 1.193 405 D HN 0.207 nan 8.370 nan 0.000 0.427 406 Y N 1.543 121.698 120.300 -0.243 0.000 2.331 406 Y HA 0.242 4.807 4.550 0.024 0.000 0.338 406 Y C 0.451 176.228 175.900 -0.206 0.000 0.992 406 Y CA -0.755 57.208 58.100 -0.227 0.000 1.121 406 Y CB 1.251 39.566 38.460 -0.242 0.000 1.184 406 Y HN 0.053 nan 8.280 nan 0.000 0.469 407 K N 3.562 123.943 120.400 -0.032 0.000 2.336 407 K HA 0.053 4.387 4.320 0.024 0.000 0.290 407 K C 0.310 176.865 176.600 -0.076 0.000 1.067 407 K CA 0.412 56.657 56.287 -0.070 0.000 0.962 407 K CB 0.191 32.633 32.500 -0.096 0.000 1.008 407 K HN 0.894 nan 8.250 nan 0.000 0.467 408 S N 1.812 117.449 115.700 -0.105 0.000 3.292 408 S HA -0.186 4.298 4.470 0.024 0.000 0.360 408 S C 0.835 175.312 174.600 -0.205 0.000 0.930 408 S CA 0.400 58.508 58.200 -0.153 0.000 1.317 408 S CB -1.289 61.830 63.200 -0.134 0.000 0.920 408 S HN 0.652 nan 8.310 nan 0.000 0.540 409 L N 1.589 122.636 121.223 -0.294 0.000 1.997 409 L HA -0.116 4.238 4.340 0.024 0.000 0.216 409 L C 2.204 178.912 176.870 -0.270 0.000 1.074 409 L CA 2.248 56.843 54.840 -0.408 0.000 0.763 409 L CB -1.085 40.584 42.059 -0.650 0.000 0.890 409 L HN 0.707 nan 8.230 nan 0.000 0.434 410 Y N -0.283 119.874 120.300 -0.239 0.000 2.163 410 Y HA -0.003 4.561 4.550 0.023 0.000 0.288 410 Y C -0.097 175.691 175.900 -0.187 0.000 1.136 410 Y CA 0.440 58.405 58.100 -0.225 0.000 1.147 410 Y CB -2.624 35.661 38.460 -0.291 0.000 0.987 410 Y HN 0.298 nan 8.280 nan 0.000 0.509 411 P HA -0.145 nan 4.420 nan 0.000 0.218 411 P C 1.893 179.085 177.300 -0.180 0.000 1.148 411 P CA 2.469 65.488 63.100 -0.134 0.000 0.822 411 P CB -0.141 31.464 31.700 -0.158 0.000 0.784 412 S N -1.208 114.383 115.700 -0.181 0.000 2.387 412 S HA -0.092 4.393 4.470 0.024 0.000 0.226 412 S C 1.982 176.416 174.600 -0.276 0.000 1.026 412 S CA 0.824 58.884 58.200 -0.232 0.000 0.972 412 S CB -1.517 61.542 63.200 -0.235 0.000 0.814 412 S HN 0.020 nan 8.310 nan 0.000 0.477 413 I N 1.480 121.922 120.570 -0.213 0.000 2.202 413 I HA -0.122 4.062 4.170 0.024 0.000 0.242 413 I C 2.428 178.373 176.117 -0.288 0.000 1.091 413 I CA 1.320 62.472 61.300 -0.246 0.000 1.368 413 I CB -0.397 37.574 38.000 -0.050 0.000 1.058 413 I HN 0.277 nan 8.210 nan 0.000 0.410 414 I N 0.662 121.124 120.570 -0.180 0.000 2.151 414 I HA -0.356 3.828 4.170 0.024 0.000 0.243 414 I C 2.434 178.409 176.117 -0.238 0.000 1.080 414 I CA 1.836 63.034 61.300 -0.170 0.000 1.339 414 I CB -0.359 37.578 38.000 -0.104 0.000 1.039 414 I HN 0.180 nan 8.210 nan 0.000 0.409 415 I N 0.177 120.588 120.570 -0.265 0.000 2.142 415 I HA -0.268 3.916 4.170 0.024 0.000 0.240 415 I C 2.538 178.471 176.117 -0.307 0.000 1.078 415 I CA 1.812 62.948 61.300 -0.273 0.000 1.343 415 I CB -0.695 37.143 38.000 -0.271 0.000 1.046 415 I HN 0.258 nan 8.210 nan 0.000 0.405 416 T N -1.281 113.026 114.554 -0.413 0.000 2.788 416 T HA -0.204 4.161 4.350 0.024 0.000 0.268 416 T C 1.260 175.571 174.700 -0.649 0.000 1.044 416 T CA 1.516 63.287 62.100 -0.549 0.000 1.139 416 T CB -0.460 67.981 68.868 -0.711 0.000 0.867 416 T HN 0.473 nan 8.240 nan 0.000 0.454 417 H N 0.214 119.042 119.070 -0.404 0.000 2.505 417 H HA 0.354 4.924 4.556 0.024 0.000 0.286 417 H C 0.314 175.509 175.328 -0.222 0.000 1.072 417 H CA -0.646 55.163 56.048 -0.397 0.000 1.141 417 H CB 0.080 29.277 29.762 -0.941 0.000 1.550 417 H HN 0.072 nan 8.280 nan 0.000 0.547 418 N N 0.748 119.364 118.700 -0.140 0.000 2.714 418 N HA -0.170 4.585 4.740 0.024 0.000 0.252 418 N C -1.045 174.436 175.510 -0.048 0.000 1.014 418 N CA 0.253 53.270 53.050 -0.055 0.000 0.735 418 N CB -1.036 37.476 38.487 0.042 0.000 0.924 418 N HN 0.116 nan 8.380 nan 0.000 0.540 419 V N 0.469 120.234 119.914 -0.249 0.000 2.479 419 V HA 0.468 4.602 4.120 0.024 0.000 0.281 419 V C 0.690 176.708 176.094 -0.128 0.000 1.031 419 V CA 0.517 62.491 62.300 -0.543 0.000 1.038 419 V CB 1.157 32.630 31.823 -0.583 0.000 0.981 419 V HN 0.465 nan 8.190 nan 0.000 0.478 420 S N 5.696 121.399 115.700 0.005 0.000 2.580 420 S HA 0.452 4.936 4.470 0.024 0.000 0.281 420 S C -2.457 172.253 174.600 0.183 0.000 1.129 420 S CA -0.772 57.513 58.200 0.142 0.000 0.862 420 S CB 2.196 65.516 63.200 0.199 0.000 1.090 420 S HN 0.357 nan 8.310 nan 0.000 0.451 421 P HA -0.100 nan 4.420 nan 0.000 0.216 421 P C 0.626 178.031 177.300 0.176 0.000 1.150 421 P CA 1.837 65.023 63.100 0.143 0.000 0.843 421 P CB -0.343 31.481 31.700 0.207 0.000 0.787 422 D N -1.613 118.913 120.400 0.210 0.000 2.352 422 D HA -0.056 4.599 4.640 0.024 0.000 0.232 422 D C 0.693 177.092 176.300 0.163 0.000 1.055 422 D CA 0.782 54.882 54.000 0.167 0.000 0.891 422 D CB -1.004 39.894 40.800 0.163 0.000 0.897 422 D HN 0.190 nan 8.370 nan 0.000 0.529 423 T N -3.012 111.670 114.554 0.213 0.000 3.058 423 T HA 0.137 4.501 4.350 0.024 0.000 0.278 423 T C 0.584 175.400 174.700 0.194 0.000 0.974 423 T CA -0.651 61.585 62.100 0.226 0.000 0.893 423 T CB 0.078 69.136 68.868 0.317 0.000 1.138 423 T HN 0.142 nan 8.240 nan 0.000 0.529 424 L N 3.175 124.484 121.223 0.142 0.000 2.407 424 L HA 0.297 4.651 4.340 0.024 0.000 0.282 424 L C -0.331 176.477 176.870 -0.105 0.000 1.110 424 L CA 0.578 55.370 54.840 -0.079 0.000 0.863 424 L CB -0.706 41.370 42.059 0.027 0.000 1.207 424 L HN 0.286 nan 8.230 nan 0.000 0.454 425 N N 2.691 121.275 118.700 -0.194 0.000 2.696 425 N HA -0.250 4.504 4.740 0.024 0.000 0.249 425 N C -0.198 175.317 175.510 0.009 0.000 1.090 425 N CA 0.670 53.669 53.050 -0.084 0.000 0.716 425 N CB -1.132 37.312 38.487 -0.072 0.000 1.020 425 N HN 0.459 nan 8.380 nan 0.000 0.548 426 L N 1.301 122.549 121.223 0.042 0.000 2.416 426 L HA 0.140 4.495 4.340 0.024 0.000 0.272 426 L C 0.944 177.857 176.870 0.071 0.000 1.161 426 L CA 0.110 54.989 54.840 0.064 0.000 0.845 426 L CB 0.337 42.444 42.059 0.079 0.000 1.119 426 L HN 0.085 nan 8.230 nan 0.000 0.464 427 E N 3.156 123.391 120.200 0.057 0.000 2.384 427 E HA 0.314 4.678 4.350 0.024 0.000 0.266 427 E C 0.817 177.441 176.600 0.040 0.000 1.012 427 E CA 0.821 57.251 56.400 0.050 0.000 0.901 427 E CB 0.255 29.980 29.700 0.041 0.000 0.967 427 E HN 0.918 nan 8.360 nan 0.000 0.435 428 G N 3.182 112.001 108.800 0.033 0.000 2.249 428 G HA2 -0.314 3.660 3.960 0.024 0.000 0.273 428 G HA3 -0.314 3.660 3.960 0.024 0.000 0.273 428 G C 0.268 175.162 174.900 -0.010 0.000 1.036 428 G CA 0.171 45.276 45.100 0.008 0.000 0.824 428 G HN 0.660 nan 8.290 nan 0.000 0.504 429 c N -0.911 117.684 118.600 -0.008 0.000 2.580 429 c HA 0.731 5.316 4.570 0.024 0.000 0.371 429 c C 1.716 175.722 174.090 -0.141 0.000 1.308 429 c CA -0.165 56.143 56.329 -0.036 0.000 2.428 429 c CB 0.960 43.487 42.510 0.029 0.000 2.529 429 c HN 0.441 nan 8.230 nan 0.000 0.657 430 K N 1.761 122.083 120.400 -0.130 0.000 2.370 430 K HA 0.228 4.562 4.320 0.024 0.000 0.194 430 K C -0.122 176.351 176.600 -0.212 0.000 1.070 430 K CA 0.458 56.647 56.287 -0.163 0.000 0.998 430 K CB -0.212 32.238 32.500 -0.083 0.000 0.911 430 K HN 0.695 nan 8.250 nan 0.000 0.533 431 N N 0.761 119.366 118.700 -0.159 0.000 2.296 431 N HA 0.253 5.008 4.740 0.024 0.000 0.294 431 N C -1.774 173.756 175.510 0.034 0.000 1.033 431 N CA -0.551 52.451 53.050 -0.079 0.000 0.839 431 N CB 1.034 39.522 38.487 0.002 0.000 1.395 431 N HN -0.051 nan 8.380 nan 0.000 0.479 432 Y N -0.185 120.169 120.300 0.089 0.000 2.527 432 Y HA 0.393 4.958 4.550 0.025 0.000 0.328 432 Y C -1.883 174.117 175.900 0.167 0.000 1.216 432 Y CA -1.580 56.597 58.100 0.130 0.000 1.152 432 Y CB -0.061 38.464 38.460 0.107 0.000 1.342 432 Y HN 0.281 nan 8.280 nan 0.000 0.465 433 D N 3.747 124.384 120.400 0.396 0.000 2.277 433 D HA 0.661 5.315 4.640 0.024 0.000 0.250 433 D C -0.137 176.309 176.300 0.244 0.000 1.032 433 D CA -0.189 54.010 54.000 0.331 0.000 0.947 433 D CB 2.456 43.513 40.800 0.427 0.000 1.159 433 D HN 0.592 nan 8.370 nan 0.000 0.460 434 I N 0.617 121.270 120.570 0.139 0.000 2.418 434 I HA 0.343 4.528 4.170 0.024 0.000 0.287 434 I C 0.237 176.096 176.117 -0.429 0.000 1.008 434 I CA -1.248 59.992 61.300 -0.100 0.000 1.104 434 I CB 1.781 39.645 38.000 -0.227 0.000 1.264 434 I HN 0.281 nan 8.210 nan 0.000 0.438 435 A N 8.350 130.753 122.820 -0.695 0.000 2.550 435 A HA 0.130 4.465 4.320 0.024 0.000 0.263 435 A C -1.572 175.532 177.584 -0.799 0.000 1.065 435 A CA -0.502 50.788 52.037 -1.245 0.000 0.786 435 A CB -0.661 18.075 19.000 -0.441 0.000 0.985 435 A HN 0.573 nan 8.150 nan 0.000 0.518 436 P HA -0.283 nan 4.420 nan 0.000 0.229 436 P C 1.217 178.322 177.300 -0.325 0.000 0.791 436 P CA 2.008 64.798 63.100 -0.517 0.000 1.091 436 P CB 0.020 31.427 31.700 -0.490 0.000 0.715 437 Q N -1.768 117.884 119.800 -0.246 0.000 2.389 437 Q HA 0.037 4.392 4.340 0.024 0.000 0.204 437 Q C 1.530 177.419 176.000 -0.185 0.000 0.944 437 Q CA 0.428 56.128 55.803 -0.172 0.000 0.908 437 Q CB -0.103 28.574 28.738 -0.101 0.000 1.002 437 Q HN 0.104 nan 8.270 nan 0.000 0.493 438 V N -0.493 119.281 119.914 -0.232 0.000 3.214 438 V HA 0.285 4.420 4.120 0.024 0.000 0.330 438 V C 0.956 176.771 176.094 -0.465 0.000 1.403 438 V CA 0.902 63.015 62.300 -0.312 0.000 1.143 438 V CB -0.173 31.486 31.823 -0.274 0.000 1.098 438 V HN 0.502 nan 8.190 nan 0.000 0.463 439 G N 0.813 109.402 108.800 -0.351 0.000 2.230 439 G HA2 -0.326 3.649 3.960 0.024 0.000 0.270 439 G HA3 -0.326 3.649 3.960 0.024 0.000 0.270 439 G C 0.358 175.063 174.900 -0.325 0.000 0.987 439 G CA 0.976 45.883 45.100 -0.323 0.000 0.664 439 G HN 0.696 nan 8.290 nan 0.000 0.539 440 H N 0.630 119.565 119.070 -0.226 0.000 3.038 440 H HA 0.230 4.800 4.556 0.024 0.000 0.338 440 H C 0.584 175.635 175.328 -0.462 0.000 1.041 440 H CA 0.689 56.549 56.048 -0.313 0.000 1.394 440 H CB 0.477 30.097 29.762 -0.237 0.000 1.357 440 H HN 0.290 nan 8.280 nan 0.000 0.600 441 K N 3.506 123.620 120.400 -0.477 0.000 2.425 441 K HA 0.244 4.579 4.320 0.024 0.000 0.259 441 K C -0.850 175.401 176.600 -0.582 0.000 0.978 441 K CA -0.454 55.529 56.287 -0.507 0.000 0.883 441 K CB 0.934 33.116 32.500 -0.529 0.000 1.110 441 K HN 0.284 nan 8.250 nan 0.000 0.436 442 F N 2.316 122.348 119.950 0.138 0.000 2.371 442 F HA 0.158 4.699 4.527 0.024 0.000 0.363 442 F C 1.097 177.034 175.800 0.228 0.000 1.122 442 F CA -0.803 57.309 58.000 0.187 0.000 1.129 442 F CB 0.527 39.660 39.000 0.222 0.000 1.173 442 F HN 0.476 nan 8.300 nan 0.000 0.489 443 c N 4.395 123.181 118.600 0.311 0.000 2.746 443 c HA 0.050 4.635 4.570 0.024 0.000 0.403 443 c C 1.306 175.543 174.090 0.245 0.000 1.270 443 c CA -0.084 56.418 56.329 0.289 0.000 1.978 443 c CB 0.036 42.661 42.510 0.191 0.000 2.724 443 c HN 0.958 nan 8.230 nan 0.000 0.678 444 K N 1.206 121.717 120.400 0.184 0.000 2.517 444 K HA 0.095 4.430 4.320 0.024 0.000 0.210 444 K C 0.542 177.186 176.600 0.073 0.000 1.166 444 K CA -0.075 56.290 56.287 0.131 0.000 1.030 444 K CB 0.267 32.853 32.500 0.143 0.000 0.974 444 K HN 0.619 nan 8.250 nan 0.000 0.585 445 D N 1.650 122.086 120.400 0.060 0.000 2.310 445 D HA -0.029 4.626 4.640 0.024 0.000 0.212 445 D C 0.940 177.258 176.300 0.031 0.000 0.965 445 D CA 0.849 54.869 54.000 0.034 0.000 0.879 445 D CB 0.218 41.032 40.800 0.024 0.000 0.921 445 D HN 0.347 nan 8.370 nan 0.000 0.510 446 I N -3.422 117.173 120.570 0.042 0.000 2.692 446 I HA 0.435 4.619 4.170 0.024 0.000 0.293 446 I C -2.976 173.164 176.117 0.039 0.000 1.200 446 I CA -2.339 58.983 61.300 0.037 0.000 1.036 446 I CB 2.135 40.162 38.000 0.044 0.000 1.258 446 I HN -0.404 nan 8.210 nan 0.000 0.421 447 P HA 0.172 nan 4.420 nan 0.000 0.273 447 P C -0.040 177.281 177.300 0.035 0.000 1.248 447 P CA 0.163 63.262 63.100 -0.003 0.000 0.817 447 P CB 0.398 32.084 31.700 -0.024 0.000 0.995 448 G N -1.247 107.568 108.800 0.026 0.000 2.482 448 G HA2 0.319 4.294 3.960 0.024 0.000 0.317 448 G HA3 0.319 4.294 3.960 0.024 0.000 0.317 448 G C 0.010 174.973 174.900 0.105 0.000 1.241 448 G CA -0.442 44.711 45.100 0.088 0.000 0.967 448 G HN 0.360 nan 8.290 nan 0.000 0.482 449 F N 1.875 121.813 119.950 -0.019 0.000 2.063 449 F HA -0.209 4.333 4.527 0.024 0.000 0.298 449 F C 2.272 177.998 175.800 -0.123 0.000 1.105 449 F CA 1.833 59.789 58.000 -0.073 0.000 1.215 449 F CB -0.122 38.828 39.000 -0.084 0.000 0.972 449 F HN 0.359 nan 8.300 nan 0.000 0.483 450 I N -0.583 119.872 120.570 -0.191 0.000 2.406 450 I HA -0.149 4.036 4.170 0.024 0.000 0.249 450 I C -0.785 175.146 176.117 -0.311 0.000 1.122 450 I CA 0.637 61.731 61.300 -0.343 0.000 1.431 450 I CB -1.408 36.521 38.000 -0.119 0.000 1.087 450 I HN 0.098 nan 8.210 nan 0.000 0.424 451 P HA -0.175 nan 4.420 nan 0.000 0.215 451 P C 1.887 179.015 177.300 -0.286 0.000 1.157 451 P CA 1.978 64.945 63.100 -0.221 0.000 0.868 451 P CB -0.087 31.532 31.700 -0.136 0.000 0.788 452 S N -0.805 114.738 115.700 -0.261 0.000 2.382 452 S HA -0.142 4.343 4.470 0.024 0.000 0.228 452 S C 2.017 176.338 174.600 -0.464 0.000 1.027 452 S CA 1.139 59.114 58.200 -0.375 0.000 0.991 452 S CB -1.679 61.371 63.200 -0.250 0.000 0.823 452 S HN 0.025 nan 8.310 nan 0.000 0.469 453 L N 0.502 121.524 121.223 -0.336 0.000 2.017 453 L HA -0.035 4.319 4.340 0.024 0.000 0.208 453 L C 2.814 179.537 176.870 -0.246 0.000 1.073 453 L CA 1.386 56.096 54.840 -0.217 0.000 0.745 453 L CB -0.567 41.321 42.059 -0.286 0.000 0.894 453 L HN 0.339 nan 8.230 nan 0.000 0.432 454 L N -0.553 120.408 121.223 -0.435 0.000 2.017 454 L HA -0.157 4.197 4.340 0.024 0.000 0.208 454 L C 2.591 179.250 176.870 -0.351 0.000 1.073 454 L CA 1.514 56.035 54.840 -0.531 0.000 0.745 454 L CB -0.886 40.792 42.059 -0.635 0.000 0.894 454 L HN 0.327 nan 8.230 nan 0.000 0.432 455 G N -1.356 107.240 108.800 -0.341 0.000 2.469 455 G HA2 -0.317 3.657 3.960 0.024 0.000 0.219 455 G HA3 -0.317 3.657 3.960 0.024 0.000 0.219 455 G C 1.202 175.988 174.900 -0.190 0.000 1.150 455 G CA 1.141 46.069 45.100 -0.288 0.000 0.763 455 G HN 0.525 nan 8.290 nan 0.000 0.561 456 H N -0.399 118.588 119.070 -0.139 0.000 2.423 456 H HA 0.130 4.700 4.556 0.024 0.000 0.297 456 H C 2.586 177.855 175.328 -0.099 0.000 1.075 456 H CA 0.312 56.303 56.048 -0.096 0.000 1.342 456 H CB 0.079 29.804 29.762 -0.062 0.000 1.395 456 H HN 0.255 nan 8.280 nan 0.000 0.530 457 L N 0.248 121.453 121.223 -0.031 0.000 1.961 457 L HA -0.191 4.164 4.340 0.024 0.000 0.209 457 L C 2.221 179.035 176.870 -0.095 0.000 1.075 457 L CA 1.024 55.811 54.840 -0.088 0.000 0.749 457 L CB -0.499 41.437 42.059 -0.205 0.000 0.890 457 L HN 0.260 nan 8.230 nan 0.000 0.433 458 L N -0.266 120.873 121.223 -0.141 0.000 2.103 458 L HA -0.318 4.036 4.340 0.024 0.000 0.215 458 L C 2.554 179.373 176.870 -0.084 0.000 1.080 458 L CA 1.764 56.531 54.840 -0.122 0.000 0.764 458 L CB -0.779 41.190 42.059 -0.151 0.000 0.890 458 L HN 0.476 nan 8.230 nan 0.000 0.435 459 E N 0.251 120.417 120.200 -0.056 0.000 2.150 459 E HA -0.238 4.126 4.350 0.024 0.000 0.193 459 E C 2.091 178.673 176.600 -0.031 0.000 0.985 459 E CA 0.877 57.257 56.400 -0.033 0.000 0.814 459 E CB 0.103 29.809 29.700 0.010 0.000 0.752 459 E HN 0.463 nan 8.360 nan 0.000 0.466 460 E N 0.339 120.524 120.200 -0.026 0.000 2.299 460 E HA -0.133 4.232 4.350 0.024 0.000 0.193 460 E C 2.088 178.664 176.600 -0.040 0.000 0.998 460 E CA 0.146 56.528 56.400 -0.030 0.000 0.851 460 E CB 0.117 29.803 29.700 -0.023 0.000 0.795 460 E HN 0.106 nan 8.360 nan 0.000 0.492 461 R N 0.111 120.580 120.500 -0.051 0.000 2.148 461 R HA -0.091 4.264 4.340 0.024 0.000 0.223 461 R C 2.111 178.378 176.300 -0.055 0.000 1.088 461 R CA 0.907 56.973 56.100 -0.057 0.000 0.985 461 R CB 0.191 30.449 30.300 -0.070 0.000 0.880 461 R HN 0.032 nan 8.270 nan 0.000 0.451 462 Q N 0.620 120.387 119.800 -0.055 0.000 2.172 462 Q HA -0.068 4.286 4.340 0.024 0.000 0.200 462 Q C 1.562 177.535 176.000 -0.045 0.000 0.964 462 Q CA 1.277 57.048 55.803 -0.054 0.000 0.855 462 Q CB 0.125 28.828 28.738 -0.057 0.000 0.918 462 Q HN 0.327 nan 8.270 nan 0.000 0.444 463 K N -0.095 120.281 120.400 -0.040 0.000 2.283 463 K HA -0.029 4.305 4.320 0.024 0.000 0.202 463 K C 1.925 178.505 176.600 -0.033 0.000 1.048 463 K CA 0.629 56.895 56.287 -0.035 0.000 0.948 463 K CB 0.119 32.600 32.500 -0.031 0.000 0.742 463 K HN 0.174 nan 8.250 nan 0.000 0.458 464 I N 0.405 120.954 120.570 -0.036 0.000 2.512 464 I HA -0.175 4.009 4.170 0.024 0.000 0.247 464 I C 2.156 178.249 176.117 -0.041 0.000 1.094 464 I CA 0.717 61.996 61.300 -0.035 0.000 1.427 464 I CB 0.041 38.021 38.000 -0.034 0.000 1.149 464 I HN -0.007 nan 8.210 nan 0.000 0.438 465 K N 0.294 120.667 120.400 -0.046 0.000 2.044 465 K HA -0.204 4.131 4.320 0.024 0.000 0.210 465 K C 2.054 178.628 176.600 -0.044 0.000 1.049 465 K CA 2.207 58.464 56.287 -0.049 0.000 0.927 465 K CB -0.253 32.215 32.500 -0.053 0.000 0.713 465 K HN 0.289 nan 8.250 nan 0.000 0.443 466 T N 0.851 115.380 114.554 -0.041 0.000 2.684 466 T HA -0.171 4.193 4.350 0.024 0.000 0.267 466 T C 1.766 176.446 174.700 -0.033 0.000 1.036 466 T CA 1.361 63.439 62.100 -0.037 0.000 1.148 466 T CB -0.084 68.762 68.868 -0.036 0.000 0.863 466 T HN 0.258 nan 8.240 nan 0.000 0.436 467 K N 0.408 120.790 120.400 -0.031 0.000 2.147 467 K HA -0.022 4.313 4.320 0.024 0.000 0.205 467 K C 2.339 178.922 176.600 -0.028 0.000 1.049 467 K CA 1.005 57.276 56.287 -0.027 0.000 0.936 467 K CB -0.168 32.317 32.500 -0.024 0.000 0.722 467 K HN 0.351 nan 8.250 nan 0.000 0.446 468 M N 0.805 120.385 119.600 -0.033 0.000 2.065 468 M HA -0.203 4.291 4.480 0.024 0.000 0.259 468 M C 1.793 178.074 176.300 -0.033 0.000 1.071 468 M CA 1.759 57.037 55.300 -0.036 0.000 1.109 468 M CB -0.349 32.222 32.600 -0.047 0.000 1.313 468 M HN 0.002 nan 8.290 nan 0.000 0.408 469 K N 0.297 120.677 120.400 -0.033 0.000 2.444 469 K HA -0.236 4.099 4.320 0.024 0.000 0.200 469 K C 1.626 178.211 176.600 -0.025 0.000 1.045 469 K CA 1.425 57.694 56.287 -0.030 0.000 0.934 469 K CB -0.396 32.086 32.500 -0.030 0.000 0.756 469 K HN 0.587 nan 8.250 nan 0.000 0.477 470 E N 1.061 121.246 120.200 -0.024 0.000 2.389 470 E HA -0.044 4.320 4.350 0.024 0.000 0.199 470 E C 0.179 176.769 176.600 -0.017 0.000 0.978 470 E CA 0.122 56.510 56.400 -0.020 0.000 0.912 470 E CB 0.493 30.181 29.700 -0.020 0.000 0.907 470 E HN -0.038 nan 8.360 nan 0.000 0.494 471 T N 0.324 114.867 114.554 -0.018 0.000 2.817 471 T HA 0.125 4.490 4.350 0.024 0.000 0.293 471 T C 0.275 174.967 174.700 -0.014 0.000 0.964 471 T CA -0.357 61.733 62.100 -0.015 0.000 1.085 471 T CB 1.449 70.307 68.868 -0.016 0.000 0.921 471 T HN 0.092 nan 8.240 nan 0.000 0.502 472 Q N 2.231 122.026 119.800 -0.009 0.000 2.352 472 Q HA 0.240 4.595 4.340 0.024 0.000 0.212 472 Q C 0.128 176.126 176.000 -0.004 0.000 0.888 472 Q CA -0.211 55.587 55.803 -0.007 0.000 0.934 472 Q CB 0.339 29.074 28.738 -0.005 0.000 1.093 472 Q HN 0.637 nan 8.270 nan 0.000 0.523 473 D N 2.286 122.684 120.400 -0.003 0.000 2.343 473 D HA 0.025 4.679 4.640 0.024 0.000 0.255 473 D C -1.604 174.696 176.300 -0.000 0.000 1.187 473 D CA -2.086 51.914 54.000 0.001 0.000 0.875 473 D CB 1.324 42.126 40.800 0.005 0.000 1.136 473 D HN -0.026 nan 8.370 nan 0.000 0.469 474 P HA -0.005 nan 4.420 nan 0.000 0.237 474 P C 1.582 178.885 177.300 0.005 0.000 1.178 474 P CA 0.356 63.456 63.100 -0.001 0.000 0.766 474 P CB 0.540 32.241 31.700 0.002 0.000 0.876 475 I N 0.529 121.108 120.570 0.015 0.000 2.206 475 I HA -0.170 4.015 4.170 0.024 0.000 0.239 475 I C 2.790 178.922 176.117 0.025 0.000 1.078 475 I CA 1.278 62.595 61.300 0.028 0.000 1.367 475 I CB -0.627 37.391 38.000 0.029 0.000 1.078 475 I HN -0.027 nan 8.210 nan 0.000 0.413 476 E N 1.632 121.841 120.200 0.015 0.000 2.070 476 E HA -0.340 4.024 4.350 0.024 0.000 0.197 476 E C 2.185 178.784 176.600 -0.001 0.000 1.004 476 E CA 1.884 58.291 56.400 0.011 0.000 0.805 476 E CB -0.057 29.645 29.700 0.004 0.000 0.744 476 E HN 0.243 nan 8.360 nan 0.000 0.451 477 K N 0.435 120.826 120.400 -0.015 0.000 2.044 477 K HA -0.199 4.136 4.320 0.024 0.000 0.210 477 K C 2.338 178.892 176.600 -0.077 0.000 1.049 477 K CA 1.804 58.067 56.287 -0.040 0.000 0.927 477 K CB -0.352 32.124 32.500 -0.041 0.000 0.713 477 K HN 0.386 nan 8.250 nan 0.000 0.443 478 I N 0.268 120.791 120.570 -0.078 0.000 2.252 478 I HA -0.208 3.976 4.170 0.024 0.000 0.245 478 I C 2.066 178.088 176.117 -0.158 0.000 1.102 478 I CA 0.961 62.150 61.300 -0.185 0.000 1.385 478 I CB -0.106 37.841 38.000 -0.088 0.000 1.064 478 I HN 0.230 nan 8.210 nan 0.000 0.414 479 L N 1.095 122.357 121.223 0.065 0.000 2.012 479 L HA -0.193 4.162 4.340 0.024 0.000 0.210 479 L C 2.224 179.154 176.870 0.101 0.000 1.073 479 L CA 2.015 56.966 54.840 0.186 0.000 0.748 479 L CB -0.679 41.445 42.059 0.109 0.000 0.891 479 L HN 0.291 nan 8.230 nan 0.000 0.431 480 L N -0.373 120.858 121.223 0.013 0.000 2.046 480 L HA -0.220 4.135 4.340 0.024 0.000 0.208 480 L C 2.314 179.157 176.870 -0.045 0.000 1.077 480 L CA 1.602 56.436 54.840 -0.010 0.000 0.747 480 L CB -0.771 41.272 42.059 -0.027 0.000 0.896 480 L HN 0.347 nan 8.230 nan 0.000 0.432 481 D N -0.951 119.372 120.400 -0.129 0.000 2.158 481 D HA -0.240 4.414 4.640 0.024 0.000 0.197 481 D C 2.040 178.224 176.300 -0.192 0.000 0.995 481 D CA 1.540 55.412 54.000 -0.213 0.000 0.846 481 D CB -0.032 40.557 40.800 -0.353 0.000 0.941 481 D HN 0.354 nan 8.370 nan 0.000 0.456 482 Y N 0.226 120.493 120.300 -0.054 0.000 2.133 482 Y HA -0.067 4.497 4.550 0.024 0.000 0.287 482 Y C 2.723 178.588 175.900 -0.058 0.000 1.134 482 Y CA 0.954 59.017 58.100 -0.062 0.000 1.133 482 Y CB -0.085 38.340 38.460 -0.058 0.000 0.987 482 Y HN -0.150 nan 8.280 nan 0.000 0.502 483 R N 0.213 120.782 120.500 0.115 0.000 2.112 483 R HA -0.293 4.062 4.340 0.024 0.000 0.242 483 R C 2.327 178.632 176.300 0.008 0.000 1.137 483 R CA 2.022 58.147 56.100 0.043 0.000 0.944 483 R CB -0.665 29.648 30.300 0.020 0.000 0.857 483 R HN 0.438 nan 8.270 nan 0.000 0.435 484 Q N 1.187 120.981 119.800 -0.010 0.000 2.020 484 Q HA -0.195 4.159 4.340 0.024 0.000 0.202 484 Q C 1.735 177.713 176.000 -0.037 0.000 0.982 484 Q CA 1.517 57.299 55.803 -0.035 0.000 0.838 484 Q CB -0.040 28.668 28.738 -0.051 0.000 0.899 484 Q HN 0.104 nan 8.270 nan 0.000 0.423 485 K N 0.372 120.753 120.400 -0.032 0.000 2.218 485 K HA -0.113 4.221 4.320 0.024 0.000 0.205 485 K C 1.939 178.523 176.600 -0.028 0.000 1.046 485 K CA 1.200 57.467 56.287 -0.034 0.000 0.933 485 K CB -0.471 32.011 32.500 -0.030 0.000 0.728 485 K HN 0.378 nan 8.250 nan 0.000 0.454 486 A N 0.868 123.679 122.820 -0.015 0.000 1.874 486 A HA -0.027 4.308 4.320 0.024 0.000 0.214 486 A C 2.260 179.810 177.584 -0.057 0.000 1.189 486 A CA 0.752 52.771 52.037 -0.030 0.000 0.615 486 A CB -0.405 18.583 19.000 -0.019 0.000 0.830 486 A HN 0.169 nan 8.150 nan 0.000 0.443 487 I N -0.182 120.352 120.570 -0.060 0.000 2.264 487 I HA -0.281 3.904 4.170 0.024 0.000 0.248 487 I C 2.522 178.588 176.117 -0.086 0.000 1.111 487 I CA 1.849 63.095 61.300 -0.089 0.000 1.382 487 I CB -0.137 37.815 38.000 -0.079 0.000 1.060 487 I HN 0.407 nan 8.210 nan 0.000 0.418 488 K N 1.098 121.458 120.400 -0.068 0.000 2.025 488 K HA -0.224 4.111 4.320 0.024 0.000 0.207 488 K C 2.231 178.802 176.600 -0.048 0.000 1.049 488 K CA 1.387 57.637 56.287 -0.062 0.000 0.933 488 K CB -0.163 32.303 32.500 -0.058 0.000 0.714 488 K HN 0.101 nan 8.250 nan 0.000 0.438 489 L N 1.373 122.568 121.223 -0.047 0.000 1.990 489 L HA -0.207 4.147 4.340 0.024 0.000 0.213 489 L C 2.258 179.103 176.870 -0.041 0.000 1.072 489 L CA 1.489 56.304 54.840 -0.041 0.000 0.755 489 L CB -0.636 41.395 42.059 -0.046 0.000 0.889 489 L HN 0.297 nan 8.230 nan 0.000 0.432 490 L N -0.338 120.847 121.223 -0.064 0.000 2.012 490 L HA -0.149 4.206 4.340 0.024 0.000 0.210 490 L C 2.532 179.467 176.870 0.108 0.000 1.073 490 L CA 2.169 56.961 54.840 -0.081 0.000 0.748 490 L CB -1.059 40.892 42.059 -0.180 0.000 0.891 490 L HN 0.325 nan 8.230 nan 0.000 0.431 491 A N -0.866 121.997 122.820 0.072 0.000 1.972 491 A HA -0.215 4.119 4.320 0.024 0.000 0.219 491 A C 2.015 179.688 177.584 0.147 0.000 1.169 491 A CA 1.864 53.933 52.037 0.054 0.000 0.635 491 A CB -0.760 18.159 19.000 -0.134 0.000 0.810 491 A HN 0.580 nan 8.150 nan 0.000 0.446 492 N N 0.235 118.982 118.700 0.079 0.000 2.512 492 N HA -0.032 4.722 4.740 0.024 0.000 0.183 492 N C 0.958 176.544 175.510 0.126 0.000 1.073 492 N CA 1.148 54.245 53.050 0.078 0.000 0.911 492 N CB -0.083 38.417 38.487 0.023 0.000 0.964 492 N HN 0.471 nan 8.380 nan 0.000 0.447 493 S N -0.981 114.778 115.700 0.098 0.000 2.614 493 S HA 0.226 4.711 4.470 0.024 0.000 0.230 493 S C 1.053 175.618 174.600 -0.058 0.000 0.952 493 S CA -0.437 57.766 58.200 0.004 0.000 0.949 493 S CB -0.365 62.768 63.200 -0.112 0.000 0.786 493 S HN 0.189 nan 8.310 nan 0.000 0.478 494 F N 0.321 120.215 119.950 -0.094 0.000 2.416 494 F HA 0.092 4.635 4.527 0.025 0.000 0.296 494 F C 2.213 177.898 175.800 -0.193 0.000 1.099 494 F CA 0.337 58.213 58.000 -0.207 0.000 1.427 494 F CB -0.350 38.451 39.000 -0.333 0.000 1.079 494 F HN 0.235 nan 8.300 nan 0.000 0.536 495 Y N 1.201 121.501 120.300 0.001 0.000 2.030 495 Y HA -0.196 4.369 4.550 0.024 0.000 0.274 495 Y C 2.481 178.359 175.900 -0.037 0.000 1.153 495 Y CA 1.626 59.703 58.100 -0.039 0.000 1.115 495 Y CB -1.115 37.357 38.460 0.020 0.000 0.969 495 Y HN 0.006 nan 8.280 nan 0.000 0.488 496 G N -1.218 107.487 108.800 -0.158 0.000 2.442 496 G HA2 -0.374 3.601 3.960 0.024 0.000 0.219 496 G HA3 -0.374 3.601 3.960 0.024 0.000 0.219 496 G C 1.641 176.429 174.900 -0.188 0.000 1.141 496 G CA 1.042 45.976 45.100 -0.277 0.000 0.763 496 G HN 0.607 nan 8.290 nan 0.000 0.554 497 Y N 0.487 120.663 120.300 -0.208 0.000 2.053 497 Y HA -0.284 4.281 4.550 0.025 0.000 0.277 497 Y C 2.628 178.559 175.900 0.051 0.000 1.159 497 Y CA 2.022 60.060 58.100 -0.103 0.000 1.125 497 Y CB -0.622 37.702 38.460 -0.226 0.000 0.969 497 Y HN 0.325 nan 8.280 nan 0.000 0.492 498 Y N -0.726 119.615 120.300 0.069 0.000 2.228 498 Y HA -0.294 4.270 4.550 0.023 0.000 0.285 498 Y C 2.420 178.100 175.900 -0.366 0.000 1.178 498 Y CA 0.321 58.357 58.100 -0.105 0.000 1.202 498 Y CB -0.530 37.863 38.460 -0.112 0.000 0.974 498 Y HN 0.331 nan 8.280 nan 0.000 0.527 499 G N -2.146 106.494 108.800 -0.266 0.000 3.042 499 G HA2 -0.155 3.819 3.960 0.024 0.000 0.212 499 G HA3 -0.155 3.819 3.960 0.024 0.000 0.212 499 G C -0.256 174.589 174.900 -0.091 0.000 1.166 499 G CA -0.267 44.528 45.100 -0.507 0.000 0.767 499 G HN 0.198 nan 8.290 nan 0.000 0.546 500 Y N 2.311 122.520 120.300 -0.151 0.000 2.436 500 Y HA 0.435 4.998 4.550 0.022 0.000 0.336 500 Y C 1.434 177.331 175.900 -0.004 0.000 1.049 500 Y CA -1.332 56.707 58.100 -0.102 0.000 1.294 500 Y CB 1.098 39.406 38.460 -0.253 0.000 1.179 500 Y HN 0.081 nan 8.280 nan 0.000 0.520 501 A N 6.183 128.895 122.820 -0.179 0.000 1.896 501 A HA -0.270 4.065 4.320 0.024 0.000 0.220 501 A C 1.869 179.020 177.584 -0.722 0.000 1.206 501 A CA 2.339 54.022 52.037 -0.590 0.000 0.647 501 A CB -0.384 18.100 19.000 -0.859 0.000 0.828 501 A HN 0.826 nan 8.150 nan 0.000 0.455 502 K N -0.243 119.589 120.400 -0.947 0.000 2.404 502 K HA 0.415 4.750 4.320 0.024 0.000 0.194 502 K C 0.510 176.783 176.600 -0.545 0.000 1.023 502 K CA 0.212 56.137 56.287 -0.604 0.000 1.094 502 K CB -0.061 32.183 32.500 -0.427 0.000 0.841 502 K HN 0.438 nan 8.250 nan 0.000 0.523 503 A N 1.745 124.212 122.820 -0.587 0.000 2.520 503 A HA 0.051 4.385 4.320 0.024 0.000 0.245 503 A C 0.901 178.484 177.584 -0.002 0.000 1.072 503 A CA -0.128 51.727 52.037 -0.303 0.000 0.761 503 A CB 0.281 18.803 19.000 -0.797 0.000 1.004 503 A HN 0.287 nan 8.150 nan 0.000 0.499 504 R N 1.700 122.315 120.500 0.192 0.000 2.115 504 R HA -0.071 4.284 4.340 0.024 0.000 0.230 504 R C 0.259 176.660 176.300 0.169 0.000 1.111 504 R CA 1.098 57.260 56.100 0.103 0.000 0.976 504 R CB 0.093 30.404 30.300 0.018 0.000 0.870 504 R HN 0.911 nan 8.270 nan 0.000 0.445 505 W N 0.742 122.245 121.300 0.338 0.000 3.213 505 W HA 0.095 4.768 4.660 0.023 0.000 0.430 505 W C -0.232 176.509 176.519 0.370 0.000 0.975 505 W CA -1.022 56.563 57.345 0.400 0.000 2.015 505 W CB -0.477 29.312 29.460 0.548 0.000 1.047 505 W HN 0.017 nan 8.180 nan 0.000 0.797 506 Y N 0.996 121.430 120.300 0.222 0.000 2.890 506 Y HA -0.036 4.528 4.550 0.024 0.000 0.341 506 Y C 0.413 176.392 175.900 0.132 0.000 1.269 506 Y CA 0.946 59.108 58.100 0.103 0.000 1.517 506 Y CB 0.659 39.124 38.460 0.009 0.000 1.314 506 Y HN 0.059 nan 8.280 nan 0.000 0.622 507 C N 8.162 127.113 119.300 -0.582 0.000 2.931 507 C HA 0.170 4.644 4.460 0.024 0.000 0.380 507 C C 0.773 175.411 174.990 -0.586 0.000 0.876 507 C CA -0.696 58.066 59.018 -0.426 0.000 1.188 507 C CB -1.308 26.271 27.740 -0.268 0.000 1.500 507 C HN 1.130 nan 8.230 nan 0.000 0.597 508 K N 1.659 121.658 120.400 -0.667 0.000 2.211 508 K HA -0.172 4.163 4.320 0.024 0.000 0.204 508 K C 1.313 177.796 176.600 -0.195 0.000 1.047 508 K CA 2.624 58.719 56.287 -0.320 0.000 0.935 508 K CB 0.173 32.667 32.500 -0.011 0.000 0.728 508 K HN 0.816 nan 8.250 nan 0.000 0.452 509 E N 0.074 120.121 120.200 -0.255 0.000 2.152 509 E HA -0.090 4.275 4.350 0.024 0.000 0.192 509 E C 1.980 178.430 176.600 -0.249 0.000 0.983 509 E CA 1.249 57.397 56.400 -0.421 0.000 0.818 509 E CB -0.088 29.197 29.700 -0.690 0.000 0.758 509 E HN 0.360 nan 8.360 nan 0.000 0.467 510 C N 0.642 119.782 119.300 -0.266 0.000 2.440 510 C HA 0.008 4.482 4.460 0.024 0.000 0.278 510 C C 2.797 177.672 174.990 -0.191 0.000 1.295 510 C CA 0.697 59.500 59.018 -0.359 0.000 1.738 510 C CB -0.949 26.130 27.740 -1.102 0.000 1.987 510 C HN 0.527 nan 8.230 nan 0.000 0.492 511 A N 0.912 123.631 122.820 -0.167 0.000 1.898 511 A HA -0.174 4.160 4.320 0.024 0.000 0.216 511 A C 1.981 179.618 177.584 0.088 0.000 1.181 511 A CA 1.644 53.683 52.037 0.004 0.000 0.620 511 A CB -0.516 18.372 19.000 -0.187 0.000 0.819 511 A HN 0.680 nan 8.150 nan 0.000 0.442 512 E N 0.062 120.300 120.200 0.063 0.000 2.077 512 E HA -0.111 4.254 4.350 0.024 0.000 0.193 512 E C 2.272 178.970 176.600 0.164 0.000 0.989 512 E CA 1.418 57.899 56.400 0.136 0.000 0.800 512 E CB -0.152 29.654 29.700 0.178 0.000 0.746 512 E HN 0.574 nan 8.360 nan 0.000 0.452 513 S N 0.358 116.173 115.700 0.192 0.000 2.399 513 S HA -0.121 4.363 4.470 0.024 0.000 0.231 513 S C 2.157 176.997 174.600 0.401 0.000 1.022 513 S CA 0.764 59.118 58.200 0.258 0.000 0.983 513 S CB -0.114 63.354 63.200 0.447 0.000 0.803 513 S HN 0.043 nan 8.310 nan 0.000 0.480 514 V N 1.657 121.748 119.914 0.294 0.000 2.244 514 V HA -0.180 3.954 4.120 0.024 0.000 0.244 514 V C 2.597 178.771 176.094 0.134 0.000 1.042 514 V CA 2.113 64.546 62.300 0.222 0.000 1.006 514 V CB -1.378 30.479 31.823 0.056 0.000 0.641 514 V HN 0.459 nan 8.190 nan 0.000 0.446 515 T N 0.446 115.022 114.554 0.037 0.000 2.624 515 T HA -0.283 4.081 4.350 0.024 0.000 0.268 515 T C 1.985 176.780 174.700 0.158 0.000 1.041 515 T CA 2.090 64.219 62.100 0.047 0.000 1.159 515 T CB -0.494 68.456 68.868 0.137 0.000 0.863 515 T HN 0.584 nan 8.240 nan 0.000 0.434 516 A N 0.550 123.459 122.820 0.148 0.000 1.898 516 A HA -0.080 4.255 4.320 0.024 0.000 0.216 516 A C 2.182 179.832 177.584 0.111 0.000 1.181 516 A CA 1.103 53.197 52.037 0.094 0.000 0.620 516 A CB -0.919 18.075 19.000 -0.010 0.000 0.819 516 A HN 0.625 nan 8.150 nan 0.000 0.442 517 W N 0.449 121.784 121.300 0.058 0.000 2.392 517 W HA -0.084 4.590 4.660 0.023 0.000 0.279 517 W C 2.346 178.940 176.519 0.126 0.000 1.225 517 W CA 1.068 58.453 57.345 0.066 0.000 1.233 517 W CB -0.953 28.608 29.460 0.169 0.000 1.122 517 W HN 0.438 nan 8.180 nan 0.000 0.561 518 G N 0.042 109.059 108.800 0.362 0.000 2.421 518 G HA2 -0.268 3.706 3.960 0.024 0.000 0.216 518 G HA3 -0.268 3.706 3.960 0.024 0.000 0.216 518 G C 1.762 176.714 174.900 0.087 0.000 1.171 518 G CA 0.796 46.039 45.100 0.237 0.000 0.775 518 G HN 0.125 nan 8.290 nan 0.000 0.543 519 R N 0.435 121.009 120.500 0.124 0.000 2.091 519 R HA -0.075 4.280 4.340 0.024 0.000 0.238 519 R C 2.557 178.898 176.300 0.068 0.000 1.136 519 R CA 1.665 57.859 56.100 0.156 0.000 0.959 519 R CB -0.293 30.288 30.300 0.469 0.000 0.856 519 R HN 0.372 nan 8.270 nan 0.000 0.437 520 K N -0.444 119.940 120.400 -0.028 0.000 2.152 520 K HA -0.194 4.140 4.320 0.024 0.000 0.206 520 K C 1.674 178.135 176.600 -0.233 0.000 1.048 520 K CA 1.638 57.822 56.287 -0.171 0.000 0.933 520 K CB -0.087 32.213 32.500 -0.335 0.000 0.721 520 K HN 0.261 nan 8.250 nan 0.000 0.447 521 Y N 0.293 120.638 120.300 0.075 0.000 2.365 521 Y HA -0.108 4.456 4.550 0.024 0.000 0.293 521 Y C 2.065 178.040 175.900 0.125 0.000 1.119 521 Y CA 0.023 58.174 58.100 0.085 0.000 1.203 521 Y CB 0.057 38.522 38.460 0.009 0.000 1.026 521 Y HN -0.011 nan 8.280 nan 0.000 0.549 522 I N 0.759 121.401 120.570 0.120 0.000 2.058 522 I HA -0.263 3.922 4.170 0.024 0.000 0.235 522 I C 2.031 178.262 176.117 0.190 0.000 1.053 522 I CA 1.413 62.727 61.300 0.023 0.000 1.313 522 I CB -1.501 36.164 38.000 -0.558 0.000 1.039 522 I HN 0.278 nan 8.210 nan 0.000 0.396 523 E N 0.946 121.291 120.200 0.242 0.000 1.998 523 E HA -0.308 4.056 4.350 0.024 0.000 0.221 523 E C 2.178 178.944 176.600 0.276 0.000 1.018 523 E CA 2.124 58.776 56.400 0.419 0.000 0.891 523 E CB -0.605 29.285 29.700 0.316 0.000 0.807 523 E HN 0.386 nan 8.360 nan 0.000 0.523 524 L N 0.562 121.882 121.223 0.162 0.000 2.201 524 L HA -0.367 3.987 4.340 0.024 0.000 0.233 524 L C 2.305 179.311 176.870 0.227 0.000 1.115 524 L CA 2.037 56.971 54.840 0.157 0.000 0.840 524 L CB -0.533 41.619 42.059 0.155 0.000 0.924 524 L HN 0.129 nan 8.230 nan 0.000 0.450 525 V N -1.136 118.943 119.914 0.275 0.000 2.343 525 V HA -0.300 3.835 4.120 0.024 0.000 0.247 525 V C 2.008 178.310 176.094 0.347 0.000 1.051 525 V CA 2.209 64.704 62.300 0.324 0.000 1.036 525 V CB -0.899 31.066 31.823 0.237 0.000 0.654 525 V HN 0.860 nan 8.190 nan 0.000 0.451 526 W N 1.297 122.647 121.300 0.084 0.000 2.335 526 W HA -0.180 4.495 4.660 0.025 0.000 0.311 526 W C 2.372 178.918 176.519 0.045 0.000 1.213 526 W CA 1.963 59.330 57.345 0.036 0.000 1.274 526 W CB -0.626 28.878 29.460 0.073 0.000 1.148 526 W HN 0.150 nan 8.180 nan 0.000 0.498 527 K N 0.085 120.521 120.400 0.060 0.000 1.965 527 K HA -0.232 4.102 4.320 0.024 0.000 0.218 527 K C 2.015 178.662 176.600 0.079 0.000 1.048 527 K CA 2.010 58.252 56.287 -0.075 0.000 0.960 527 K CB -0.546 31.927 32.500 -0.045 0.000 0.732 527 K HN -0.125 nan 8.250 nan 0.000 0.444 528 E N 0.866 121.177 120.200 0.185 0.000 2.136 528 E HA -0.254 4.110 4.350 0.024 0.000 0.202 528 E C 1.989 178.741 176.600 0.254 0.000 1.019 528 E CA 1.155 57.746 56.400 0.319 0.000 0.819 528 E CB -0.389 29.605 29.700 0.489 0.000 0.739 528 E HN 0.225 nan 8.360 nan 0.000 0.458 529 L N 1.398 122.643 121.223 0.037 0.000 1.994 529 L HA -0.165 4.190 4.340 0.024 0.000 0.208 529 L C 2.088 178.893 176.870 -0.109 0.000 1.071 529 L CA 1.887 56.417 54.840 -0.515 0.000 0.745 529 L CB -0.409 41.267 42.059 -0.638 0.000 0.892 529 L HN 0.056 nan 8.230 nan 0.000 0.431 530 E N -0.845 119.392 120.200 0.062 0.000 2.028 530 E HA -0.192 4.173 4.350 0.024 0.000 0.191 530 E C 1.998 178.665 176.600 0.111 0.000 0.988 530 E CA 1.440 57.913 56.400 0.122 0.000 0.799 530 E CB -0.075 29.711 29.700 0.144 0.000 0.755 530 E HN 0.598 nan 8.360 nan 0.000 0.447 531 E N 1.033 121.286 120.200 0.089 0.000 2.001 531 E HA -0.152 4.212 4.350 0.024 0.000 0.193 531 E C 2.075 178.722 176.600 0.079 0.000 0.994 531 E CA 0.959 57.403 56.400 0.073 0.000 0.815 531 E CB -0.078 29.655 29.700 0.055 0.000 0.770 531 E HN 0.115 nan 8.360 nan 0.000 0.453 532 K N -0.056 120.419 120.400 0.124 0.000 2.211 532 K HA -0.068 4.266 4.320 0.024 0.000 0.203 532 K C 1.374 177.959 176.600 -0.026 0.000 1.050 532 K CA 0.916 57.233 56.287 0.051 0.000 0.945 532 K CB 0.022 32.574 32.500 0.086 0.000 0.732 532 K HN 0.068 nan 8.250 nan 0.000 0.451 533 F N 0.126 120.059 119.950 -0.029 0.000 2.661 533 F HA 0.260 4.802 4.527 0.025 0.000 0.306 533 F C 0.903 176.819 175.800 0.194 0.000 1.094 533 F CA -0.398 57.624 58.000 0.037 0.000 1.254 533 F CB 0.690 39.644 39.000 -0.076 0.000 1.040 533 F HN 0.073 nan 8.300 nan 0.000 0.562 534 G N 1.118 110.059 108.800 0.234 0.000 2.366 534 G HA2 -0.323 3.651 3.960 0.024 0.000 0.299 534 G HA3 -0.323 3.651 3.960 0.024 0.000 0.299 534 G C -0.308 174.723 174.900 0.218 0.000 1.020 534 G CA 0.030 45.234 45.100 0.174 0.000 1.026 534 G HN 0.182 nan 8.290 nan 0.000 0.512 535 F N -0.795 119.156 119.950 0.001 0.000 2.538 535 F HA 0.636 5.177 4.527 0.024 0.000 0.325 535 F C 0.534 176.312 175.800 -0.037 0.000 1.066 535 F CA -1.313 56.666 58.000 -0.035 0.000 0.946 535 F CB 1.916 40.853 39.000 -0.105 0.000 1.199 535 F HN 0.045 nan 8.300 nan 0.000 0.473 536 K N 2.029 122.469 120.400 0.068 0.000 2.240 536 K HA 0.539 4.874 4.320 0.024 0.000 0.271 536 K C -1.338 175.227 176.600 -0.058 0.000 1.018 536 K CA -0.437 55.845 56.287 -0.009 0.000 0.874 536 K CB 1.200 33.620 32.500 -0.135 0.000 1.098 536 K HN 0.493 nan 8.250 nan 0.000 0.458 537 V N 6.942 126.856 119.914 -0.000 0.000 2.508 537 V HA 0.044 4.178 4.120 0.024 0.000 0.281 537 V C 1.123 177.075 176.094 -0.236 0.000 1.041 537 V CA 0.050 62.277 62.300 -0.122 0.000 1.016 537 V CB 1.038 32.746 31.823 -0.192 0.000 0.984 537 V HN 0.845 nan 8.190 nan 0.000 0.478 538 L N 5.804 126.837 121.223 -0.318 0.000 2.477 538 L HA 0.265 4.619 4.340 0.024 0.000 0.220 538 L C -0.149 176.488 176.870 -0.388 0.000 1.106 538 L CA 0.373 54.963 54.840 -0.417 0.000 0.851 538 L CB 0.051 41.772 42.059 -0.563 0.000 0.994 538 L HN 0.738 nan 8.230 nan 0.000 0.462 539 Y N -0.054 119.928 120.300 -0.529 0.000 2.044 539 Y HA 0.239 4.803 4.550 0.023 0.000 0.312 539 Y C -1.584 174.163 175.900 -0.254 0.000 1.295 539 Y CA -1.412 56.395 58.100 -0.488 0.000 1.612 539 Y CB -0.381 37.548 38.460 -0.885 0.000 1.277 539 Y HN -0.116 nan 8.280 nan 0.000 0.381 540 I N 6.161 126.370 120.570 -0.603 0.000 2.365 540 I HA 0.362 4.546 4.170 0.024 0.000 0.291 540 I C -0.629 175.207 176.117 -0.467 0.000 1.004 540 I CA -0.084 60.937 61.300 -0.465 0.000 1.311 540 I CB 1.193 39.073 38.000 -0.199 0.000 1.401 540 I HN 0.575 nan 8.210 nan 0.000 0.491 541 D N 4.543 124.759 120.400 -0.307 0.000 2.336 541 D HA 0.150 4.805 4.640 0.024 0.000 0.248 541 D C 0.725 177.024 176.300 -0.001 0.000 1.326 541 D CA 0.049 53.979 54.000 -0.117 0.000 0.973 541 D CB 0.827 41.560 40.800 -0.111 0.000 1.255 541 D HN 0.738 nan 8.370 nan 0.000 0.558 542 T N 0.685 115.264 114.554 0.042 0.000 9.796 542 T HA -0.370 3.995 4.350 0.024 0.000 0.417 542 T C 0.903 175.533 174.700 -0.116 0.000 1.454 542 T CA 2.165 64.272 62.100 0.011 0.000 2.454 542 T CB -0.896 68.020 68.868 0.080 0.000 2.957 542 T HN 0.465 nan 8.240 nan 0.000 1.185 543 D N 0.386 120.735 120.400 -0.085 0.000 2.449 543 D HA 0.484 5.138 4.640 0.024 0.000 0.255 543 D C 0.974 177.275 176.300 0.001 0.000 1.121 543 D CA 0.700 54.657 54.000 -0.071 0.000 0.830 543 D CB 1.272 42.042 40.800 -0.050 0.000 1.280 543 D HN 0.807 nan 8.370 nan 0.000 0.522 544 G N 0.108 108.861 108.800 -0.078 0.000 2.604 544 G HA2 0.646 4.621 3.960 0.024 0.000 0.242 544 G HA3 0.646 4.621 3.960 0.024 0.000 0.242 544 G C -1.820 172.915 174.900 -0.274 0.000 1.208 544 G CA -0.338 44.607 45.100 -0.258 0.000 0.912 544 G HN 0.308 nan 8.290 nan 0.000 0.502 545 L N -3.203 117.736 121.223 -0.474 0.000 2.992 545 L HA 0.571 4.926 4.340 0.024 0.000 0.252 545 L C -2.033 174.596 176.870 -0.402 0.000 0.983 545 L CA -1.426 53.239 54.840 -0.291 0.000 1.005 545 L CB 0.975 42.860 42.059 -0.291 0.000 1.506 545 L HN 0.624 nan 8.230 nan 0.000 0.414 546 Y N 0.952 121.152 120.300 -0.167 0.000 2.342 546 Y HA 0.910 5.475 4.550 0.024 0.000 0.334 546 Y C 0.635 176.431 175.900 -0.173 0.000 1.067 546 Y CA 0.051 58.104 58.100 -0.078 0.000 1.128 546 Y CB 1.917 40.286 38.460 -0.151 0.000 1.200 546 Y HN 0.959 nan 8.280 nan 0.000 0.464 547 A N 1.333 124.188 122.820 0.058 0.000 2.567 547 A HA 0.911 5.246 4.320 0.024 0.000 0.289 547 A C -0.570 177.118 177.584 0.174 0.000 1.177 547 A CA -0.304 51.764 52.037 0.052 0.000 0.694 547 A CB 2.105 21.125 19.000 0.034 0.000 1.292 547 A HN 0.671 nan 8.150 nan 0.000 0.425 548 T N -1.364 113.323 114.554 0.222 0.000 2.640 548 T HA 0.409 4.774 4.350 0.024 0.000 0.279 548 T C -2.119 172.401 174.700 -0.300 0.000 1.995 548 T CA -0.154 61.964 62.100 0.030 0.000 0.943 548 T CB 0.359 69.232 68.868 0.009 0.000 2.141 548 T HN 1.158 nan 8.240 nan 0.000 0.444 549 I N 1.801 122.151 120.570 -0.367 0.000 2.448 549 I HA 0.406 4.591 4.170 0.024 0.000 0.281 549 I C -2.679 173.387 176.117 -0.084 0.000 1.027 549 I CA -2.243 58.862 61.300 -0.324 0.000 1.111 549 I CB 1.064 38.797 38.000 -0.444 0.000 1.236 549 I HN 0.383 nan 8.210 nan 0.000 0.452 550 P HA -0.061 nan 4.420 nan 0.000 0.265 550 P C 1.229 178.610 177.300 0.134 0.000 1.167 550 P CA 1.283 64.504 63.100 0.201 0.000 0.760 550 P CB 0.520 32.379 31.700 0.266 0.000 0.783 551 G N 1.898 110.798 108.800 0.166 0.000 2.205 551 G HA2 -0.263 3.712 3.960 0.024 0.000 0.269 551 G HA3 -0.263 3.712 3.960 0.024 0.000 0.269 551 G C 0.750 175.694 174.900 0.074 0.000 0.977 551 G CA 0.230 45.395 45.100 0.109 0.000 0.652 551 G HN 0.935 nan 8.290 nan 0.000 0.539 552 G N 0.059 108.891 108.800 0.054 0.000 2.414 552 G HA2 0.422 4.396 3.960 0.024 0.000 0.236 552 G HA3 0.422 4.396 3.960 0.024 0.000 0.236 552 G C 0.216 175.146 174.900 0.050 0.000 1.293 552 G CA 0.677 45.787 45.100 0.016 0.000 0.869 552 G HN 0.816 nan 8.290 nan 0.000 0.556 553 E N 0.426 120.645 120.200 0.032 0.000 2.384 553 E HA 0.124 4.489 4.350 0.024 0.000 0.266 553 E C 1.470 178.103 176.600 0.056 0.000 1.012 553 E CA 0.438 56.863 56.400 0.043 0.000 0.901 553 E CB 1.059 30.772 29.700 0.021 0.000 0.967 553 E HN 0.354 nan 8.360 nan 0.000 0.435 554 S N 3.625 119.375 115.700 0.083 0.000 2.603 554 S HA -0.044 4.441 4.470 0.024 0.000 0.229 554 S C 0.277 174.838 174.600 -0.066 0.000 0.972 554 S CA 0.511 58.767 58.200 0.094 0.000 0.935 554 S CB -0.040 63.281 63.200 0.200 0.000 0.769 554 S HN 0.590 nan 8.310 nan 0.000 0.536 555 E N 0.168 120.328 120.200 -0.067 0.000 4.052 555 E HA 0.217 4.582 4.350 0.024 0.000 0.219 555 E C -0.137 176.421 176.600 -0.071 0.000 1.166 555 E CA 0.065 56.389 56.400 -0.127 0.000 1.338 555 E CB 0.966 30.607 29.700 -0.099 0.000 1.212 555 E HN 0.537 nan 8.360 nan 0.000 0.432 556 E N -0.019 120.152 120.200 -0.048 0.000 2.314 556 E HA 0.119 4.484 4.350 0.024 0.000 0.216 556 E C 0.908 177.529 176.600 0.034 0.000 1.048 556 E CA 0.093 56.488 56.400 -0.007 0.000 1.575 556 E CB -0.332 29.365 29.700 -0.005 0.000 3.354 556 E HN 0.250 nan 8.360 nan 0.000 1.075 557 I N 1.133 121.725 120.570 0.037 0.000 2.353 557 I HA -0.105 4.079 4.170 0.024 0.000 0.248 557 I C 2.023 178.253 176.117 0.189 0.000 1.119 557 I CA 0.987 62.355 61.300 0.113 0.000 1.417 557 I CB -0.038 38.053 38.000 0.151 0.000 1.078 557 I HN 0.066 nan 8.210 nan 0.000 0.421 558 K N 0.981 121.393 120.400 0.021 0.000 2.009 558 K HA -0.254 4.081 4.320 0.024 0.000 0.210 558 K C 2.153 178.704 176.600 -0.081 0.000 1.049 558 K CA 1.785 58.024 56.287 -0.080 0.000 0.929 558 K CB -0.207 32.123 32.500 -0.283 0.000 0.714 558 K HN 0.233 nan 8.250 nan 0.000 0.440 559 K N 0.993 121.361 120.400 -0.055 0.000 2.211 559 K HA -0.153 4.181 4.320 0.024 0.000 0.203 559 K C 1.706 178.350 176.600 0.073 0.000 1.050 559 K CA 1.427 57.696 56.287 -0.031 0.000 0.945 559 K CB 0.094 32.573 32.500 -0.035 0.000 0.732 559 K HN -0.148 nan 8.250 nan 0.000 0.451 560 K N 1.018 121.529 120.400 0.186 0.000 2.103 560 K HA 0.053 4.387 4.320 0.024 0.000 0.204 560 K C 1.987 178.771 176.600 0.307 0.000 1.052 560 K CA 1.286 57.783 56.287 0.349 0.000 0.945 560 K CB -0.397 32.428 32.500 0.542 0.000 0.722 560 K HN 0.324 nan 8.250 nan 0.000 0.443 561 A N 0.767 123.731 122.820 0.241 0.000 1.835 561 A HA -0.175 4.159 4.320 0.024 0.000 0.215 561 A C 2.132 179.715 177.584 -0.001 0.000 1.199 561 A CA 1.595 53.672 52.037 0.067 0.000 0.615 561 A CB -0.987 18.109 19.000 0.160 0.000 0.838 561 A HN 0.220 nan 8.150 nan 0.000 0.444 562 L N -0.486 120.668 121.223 -0.116 0.000 1.997 562 L HA -0.351 4.004 4.340 0.024 0.000 0.227 562 L C 2.732 179.569 176.870 -0.055 0.000 1.087 562 L CA 2.356 57.096 54.840 -0.167 0.000 0.797 562 L CB -0.727 41.204 42.059 -0.212 0.000 0.902 562 L HN 0.533 nan 8.230 nan 0.000 0.441 563 E N -0.810 119.408 120.200 0.030 0.000 2.086 563 E HA -0.336 4.028 4.350 0.024 0.000 0.205 563 E C 2.023 178.678 176.600 0.092 0.000 1.027 563 E CA 2.161 58.632 56.400 0.118 0.000 0.830 563 E CB -0.452 29.399 29.700 0.252 0.000 0.751 563 E HN 0.487 nan 8.360 nan 0.000 0.456 564 F N 1.263 121.066 119.950 -0.245 0.000 2.202 564 F HA -0.195 4.346 4.527 0.024 0.000 0.301 564 F C 2.081 177.650 175.800 -0.385 0.000 1.082 564 F CA 0.917 58.435 58.000 -0.804 0.000 1.313 564 F CB -0.121 38.045 39.000 -1.390 0.000 1.024 564 F HN -0.199 nan 8.300 nan 0.000 0.495 565 V N 1.831 121.479 119.914 -0.442 0.000 2.358 565 V HA -0.298 3.837 4.120 0.024 0.000 0.246 565 V C 2.334 178.195 176.094 -0.388 0.000 1.047 565 V CA 2.372 64.383 62.300 -0.482 0.000 1.035 565 V CB -0.680 31.003 31.823 -0.232 0.000 0.658 565 V HN 0.473 nan 8.190 nan 0.000 0.452 566 K N -0.820 119.445 120.400 -0.225 0.000 2.366 566 K HA -0.154 4.181 4.320 0.024 0.000 0.198 566 K C 2.146 178.665 176.600 -0.135 0.000 1.044 566 K CA 1.289 57.481 56.287 -0.158 0.000 0.973 566 K CB -0.452 32.001 32.500 -0.079 0.000 0.767 566 K HN 0.522 nan 8.250 nan 0.000 0.475 567 Y N 2.080 122.226 120.300 -0.256 0.000 2.130 567 Y HA -0.132 4.433 4.550 0.024 0.000 0.287 567 Y C 2.102 177.847 175.900 -0.259 0.000 1.124 567 Y CA 0.974 58.976 58.100 -0.163 0.000 1.118 567 Y CB -0.286 38.142 38.460 -0.054 0.000 0.994 567 Y HN -0.078 nan 8.280 nan 0.000 0.497 568 I N 1.484 121.629 120.570 -0.709 0.000 2.163 568 I HA -0.347 3.838 4.170 0.024 0.000 0.243 568 I C 1.713 177.527 176.117 -0.505 0.000 1.085 568 I CA 1.925 62.770 61.300 -0.758 0.000 1.347 568 I CB -1.218 36.268 38.000 -0.857 0.000 1.044 568 I HN 0.484 nan 8.210 nan 0.000 0.408 569 N N 0.070 118.521 118.700 -0.414 0.000 2.091 569 N HA -0.253 4.501 4.740 0.024 0.000 0.193 569 N C 1.890 177.250 175.510 -0.251 0.000 1.021 569 N CA 1.777 54.652 53.050 -0.292 0.000 0.862 569 N CB -0.185 38.152 38.487 -0.249 0.000 1.018 569 N HN 0.343 nan 8.380 nan 0.000 0.429 570 S N 0.296 115.833 115.700 -0.272 0.000 2.469 570 S HA -0.042 4.442 4.470 0.024 0.000 0.238 570 S C 1.504 175.966 174.600 -0.229 0.000 0.998 570 S CA 0.918 58.986 58.200 -0.220 0.000 0.957 570 S CB 0.074 63.155 63.200 -0.200 0.000 0.764 570 S HN 0.159 nan 8.310 nan 0.000 0.514 571 K N 0.237 120.456 120.400 -0.301 0.000 2.352 571 K HA 0.316 4.650 4.320 0.024 0.000 0.194 571 K C 0.312 176.846 176.600 -0.110 0.000 1.038 571 K CA 0.001 56.157 56.287 -0.219 0.000 1.023 571 K CB 0.028 32.350 32.500 -0.297 0.000 0.840 571 K HN 0.417 nan 8.250 nan 0.000 0.519 572 L N 4.150 125.294 121.223 -0.131 0.000 2.349 572 L HA 0.168 4.522 4.340 0.024 0.000 0.275 572 L C -1.932 174.875 176.870 -0.105 0.000 1.115 572 L CA -1.781 53.010 54.840 -0.082 0.000 0.820 572 L CB 0.423 42.404 42.059 -0.130 0.000 1.135 572 L HN -0.060 nan 8.230 nan 0.000 0.445 573 P HA 0.133 nan 4.420 nan 0.000 0.274 573 P C 0.536 177.714 177.300 -0.204 0.000 1.231 573 P CA 0.187 63.226 63.100 -0.102 0.000 0.790 573 P CB 1.088 32.788 31.700 0.001 0.000 0.951 574 G N 2.778 111.468 108.800 -0.183 0.000 2.684 574 G HA2 -0.308 3.667 3.960 0.024 0.000 0.342 574 G HA3 -0.308 3.667 3.960 0.024 0.000 0.342 574 G C 0.278 175.050 174.900 -0.213 0.000 1.316 574 G CA 1.108 46.080 45.100 -0.213 0.000 0.994 574 G HN 0.651 nan 8.290 nan 0.000 0.541 575 L N -1.154 119.922 121.223 -0.246 0.000 3.034 575 L HA 0.641 4.996 4.340 0.024 0.000 0.245 575 L C 0.338 177.072 176.870 -0.225 0.000 1.295 575 L CA -0.408 54.303 54.840 -0.215 0.000 1.068 575 L CB 0.198 42.140 42.059 -0.195 0.000 1.426 575 L HN 0.306 nan 8.230 nan 0.000 0.531 576 L N 1.920 122.987 121.223 -0.260 0.000 2.371 576 L HA 0.574 4.928 4.340 0.024 0.000 0.272 576 L C 0.196 176.988 176.870 -0.129 0.000 1.124 576 L CA 0.514 55.209 54.840 -0.241 0.000 0.816 576 L CB 1.260 43.078 42.059 -0.402 0.000 1.129 576 L HN 0.696 nan 8.230 nan 0.000 0.448 577 E N 3.433 123.626 120.200 -0.012 0.000 2.451 577 E HA 0.304 4.668 4.350 0.024 0.000 0.295 577 E C -2.004 174.434 176.600 -0.269 0.000 0.966 577 E CA -0.663 55.655 56.400 -0.137 0.000 0.808 577 E CB 1.695 31.304 29.700 -0.153 0.000 1.242 577 E HN 0.420 nan 8.360 nan 0.000 0.412 578 L N 2.723 123.678 121.223 -0.446 0.000 2.375 578 L HA 0.603 4.958 4.340 0.024 0.000 0.268 578 L C -0.090 176.571 176.870 -0.348 0.000 1.058 578 L CA -0.375 54.117 54.840 -0.579 0.000 0.803 578 L CB 1.650 43.332 42.059 -0.629 0.000 1.212 578 L HN 0.811 nan 8.230 nan 0.000 0.451 579 E N 0.184 120.198 120.200 -0.311 0.000 2.413 579 E HA 0.172 4.536 4.350 0.024 0.000 0.277 579 E C -1.787 174.728 176.600 -0.143 0.000 0.958 579 E CA -0.703 55.588 56.400 -0.182 0.000 0.779 579 E CB 2.345 31.956 29.700 -0.148 0.000 1.278 579 E HN 0.381 nan 8.360 nan 0.000 0.456 580 Y N 3.244 123.441 120.300 -0.172 0.000 2.585 580 Y HA 0.126 4.691 4.550 0.025 0.000 0.354 580 Y C 0.819 176.662 175.900 -0.095 0.000 1.024 580 Y CA 0.344 58.362 58.100 -0.136 0.000 1.321 580 Y CB 0.509 38.912 38.460 -0.094 0.000 1.151 580 Y HN 0.590 nan 8.280 nan 0.000 0.525 581 E N 3.545 123.452 120.200 -0.489 0.000 2.112 581 E HA 0.147 4.512 4.350 0.024 0.000 0.190 581 E C 0.641 176.997 176.600 -0.406 0.000 0.979 581 E CA 1.008 57.227 56.400 -0.302 0.000 0.814 581 E CB 0.284 30.006 29.700 0.036 0.000 0.762 581 E HN 0.837 nan 8.360 nan 0.000 0.460 582 G N -0.092 108.288 108.800 -0.700 0.000 2.466 582 G HA2 0.375 4.349 3.960 0.024 0.000 0.291 582 G HA3 0.375 4.349 3.960 0.024 0.000 0.291 582 G C -2.079 172.455 174.900 -0.610 0.000 1.460 582 G CA -0.800 43.936 45.100 -0.607 0.000 0.791 582 G HN 0.020 nan 8.290 nan 0.000 0.505 583 F N 0.509 120.084 119.950 -0.625 0.000 2.529 583 F HA 0.814 5.355 4.527 0.025 0.000 0.320 583 F C -1.550 173.966 175.800 -0.473 0.000 1.118 583 F CA -1.303 56.491 58.000 -0.343 0.000 0.915 583 F CB 1.776 40.775 39.000 -0.001 0.000 1.161 583 F HN 0.448 nan 8.300 nan 0.000 0.445 584 Y N 5.306 125.270 120.300 -0.560 0.000 2.361 584 Y HA 0.310 4.875 4.550 0.025 0.000 0.337 584 Y C 0.987 176.564 175.900 -0.539 0.000 0.965 584 Y CA -0.981 56.905 58.100 -0.357 0.000 1.091 584 Y CB 2.156 40.539 38.460 -0.127 0.000 1.182 584 Y HN 0.623 nan 8.280 nan 0.000 0.450 585 K N 1.778 122.089 120.400 -0.148 0.000 2.211 585 K HA -0.032 4.302 4.320 0.024 0.000 0.204 585 K C 0.289 176.889 176.600 -0.000 0.000 1.047 585 K CA 1.541 57.778 56.287 -0.082 0.000 0.935 585 K CB 0.290 32.822 32.500 0.053 0.000 0.728 585 K HN 0.687 nan 8.250 nan 0.000 0.452 586 R N -2.940 117.584 120.500 0.041 0.000 2.741 586 R HA 0.414 4.769 4.340 0.024 0.000 0.274 586 R C -1.388 174.948 176.300 0.061 0.000 1.029 586 R CA -0.411 55.746 56.100 0.094 0.000 0.880 586 R CB 2.156 32.514 30.300 0.098 0.000 1.264 586 R HN 0.199 nan 8.270 nan 0.000 0.465 587 G N 0.298 109.156 108.800 0.096 0.000 2.316 587 G HA2 0.441 4.416 3.960 0.024 0.000 0.296 587 G HA3 0.441 4.416 3.960 0.024 0.000 0.296 587 G C -2.039 172.860 174.900 -0.002 0.000 1.399 587 G CA -0.588 44.431 45.100 -0.135 0.000 0.833 587 G HN 0.567 nan 8.290 nan 0.000 0.565 588 F N -2.053 117.646 119.950 -0.418 0.000 2.703 588 F HA 0.812 5.354 4.527 0.024 0.000 0.308 588 F C -2.195 173.179 175.800 -0.709 0.000 1.126 588 F CA -2.274 55.571 58.000 -0.258 0.000 0.959 588 F CB 1.181 40.162 39.000 -0.032 0.000 1.297 588 F HN 0.421 nan 8.300 nan 0.000 0.441 589 F N 2.595 122.565 119.950 0.033 0.000 2.532 589 F HA 0.529 5.071 4.527 0.023 0.000 0.365 589 F C 0.679 176.442 175.800 -0.061 0.000 1.112 589 F CA -0.874 57.013 58.000 -0.189 0.000 1.082 589 F CB 1.323 40.073 39.000 -0.418 0.000 1.319 589 F HN 0.478 nan 8.300 nan 0.000 0.457 590 V N 1.272 121.256 119.914 0.118 0.000 2.220 590 V HA -0.187 3.948 4.120 0.024 0.000 0.246 590 V C 1.212 177.314 176.094 0.012 0.000 1.049 590 V CA 2.497 64.853 62.300 0.093 0.000 1.003 590 V CB -0.506 31.400 31.823 0.138 0.000 0.634 590 V HN 0.894 nan 8.190 nan 0.000 0.444 591 T N -5.659 108.880 114.554 -0.025 0.000 2.606 591 T HA 0.289 4.654 4.350 0.024 0.000 0.289 591 T C 0.640 175.296 174.700 -0.073 0.000 1.113 591 T CA -0.647 61.431 62.100 -0.036 0.000 1.106 591 T CB 1.177 70.047 68.868 0.004 0.000 1.611 591 T HN -0.106 nan 8.240 nan 0.000 0.471 592 K N 1.322 121.733 120.400 0.019 0.000 2.005 592 K HA -0.180 4.155 4.320 0.024 0.000 0.229 592 K C 1.114 177.812 176.600 0.163 0.000 1.050 592 K CA 1.922 58.279 56.287 0.117 0.000 0.994 592 K CB -0.496 32.075 32.500 0.117 0.000 0.736 592 K HN 0.588 nan 8.250 nan 0.000 0.448 593 K N 0.677 121.142 120.400 0.108 0.000 2.646 593 K HA 0.178 4.513 4.320 0.024 0.000 0.206 593 K C -0.359 176.226 176.600 -0.025 0.000 1.069 593 K CA -0.105 56.266 56.287 0.141 0.000 1.067 593 K CB 0.907 33.488 32.500 0.136 0.000 0.807 593 K HN 0.056 nan 8.250 nan 0.000 0.482 594 R N 1.315 121.785 120.500 -0.050 0.000 2.437 594 R HA 0.385 4.740 4.340 0.024 0.000 0.310 594 R C -1.115 175.107 176.300 -0.130 0.000 0.955 594 R CA -0.846 55.161 56.100 -0.156 0.000 0.851 594 R CB 0.904 31.162 30.300 -0.071 0.000 1.161 594 R HN 0.054 nan 8.270 nan 0.000 0.446 595 Y N -0.719 119.410 120.300 -0.285 0.000 2.774 595 Y HA 0.736 5.301 4.550 0.025 0.000 0.346 595 Y C -2.076 173.418 175.900 -0.675 0.000 1.222 595 Y CA -1.564 56.203 58.100 -0.556 0.000 1.088 595 Y CB 0.676 38.827 38.460 -0.514 0.000 1.354 595 Y HN 0.676 nan 8.280 nan 0.000 0.455 596 A N 1.034 123.426 122.820 -0.712 0.000 2.594 596 A HA 0.986 5.321 4.320 0.024 0.000 0.291 596 A C -1.108 176.098 177.584 -0.631 0.000 1.105 596 A CA -0.283 51.394 52.037 -0.601 0.000 0.694 596 A CB 1.447 20.059 19.000 -0.647 0.000 1.291 596 A HN 2.369 nan 8.150 nan 0.000 0.410 597 V N -1.275 118.392 119.914 -0.412 0.000 3.300 597 V HA 0.849 4.983 4.120 0.024 0.000 0.289 597 V C -1.479 174.464 176.094 -0.253 0.000 1.533 597 V CA -0.496 61.584 62.300 -0.366 0.000 1.059 597 V CB 1.401 32.896 31.823 -0.546 0.000 1.161 597 V HN 1.953 nan 8.190 nan 0.000 0.462 598 I N 1.864 122.359 120.570 -0.125 0.000 2.656 598 I HA 0.727 4.912 4.170 0.024 0.000 0.292 598 I C -0.923 175.260 176.117 0.111 0.000 1.144 598 I CA -0.264 61.021 61.300 -0.025 0.000 1.038 598 I CB 2.056 40.049 38.000 -0.011 0.000 1.244 598 I HN 1.148 nan 8.210 nan 0.000 0.420 599 D N 4.220 124.728 120.400 0.179 0.000 2.451 599 D HA 0.153 4.807 4.640 0.024 0.000 0.259 599 D C 0.500 176.894 176.300 0.156 0.000 1.201 599 D CA -0.199 53.953 54.000 0.253 0.000 1.028 599 D CB 0.598 41.574 40.800 0.292 0.000 1.095 599 D HN 0.599 nan 8.370 nan 0.000 0.539 600 E N -1.246 119.063 120.200 0.182 0.000 2.455 600 E HA -0.178 4.187 4.350 0.024 0.000 0.202 600 E C 0.475 177.145 176.600 0.115 0.000 1.045 600 E CA 0.792 57.297 56.400 0.175 0.000 0.872 600 E CB 0.008 29.843 29.700 0.225 0.000 0.792 600 E HN 0.540 nan 8.360 nan 0.000 0.542 601 E N -0.911 119.349 120.200 0.100 0.000 2.989 601 E HA 0.138 4.503 4.350 0.024 0.000 0.207 601 E C 0.372 177.003 176.600 0.051 0.000 0.989 601 E CA 0.219 56.661 56.400 0.070 0.000 1.186 601 E CB 0.269 30.009 29.700 0.067 0.000 1.141 601 E HN 0.252 nan 8.360 nan 0.000 0.454 602 G N 2.255 111.082 108.800 0.045 0.000 2.189 602 G HA2 -0.373 3.601 3.960 0.024 0.000 0.267 602 G HA3 -0.373 3.601 3.960 0.024 0.000 0.267 602 G C 0.318 175.229 174.900 0.019 0.000 0.975 602 G CA 0.968 46.081 45.100 0.021 0.000 0.644 602 G HN 0.366 nan 8.290 nan 0.000 0.537 603 K N 0.296 120.718 120.400 0.035 0.000 2.249 603 K HA 0.575 4.909 4.320 0.024 0.000 0.280 603 K C -0.059 176.540 176.600 -0.001 0.000 1.033 603 K CA -0.556 55.744 56.287 0.022 0.000 0.946 603 K CB 1.172 33.696 32.500 0.040 0.000 1.005 603 K HN 0.095 nan 8.250 nan 0.000 0.469 604 V N 6.302 126.200 119.914 -0.027 0.000 2.384 604 V HA 0.404 4.538 4.120 0.024 0.000 0.287 604 V C -0.223 175.819 176.094 -0.087 0.000 1.020 604 V CA -0.754 61.505 62.300 -0.067 0.000 0.850 604 V CB 1.117 32.903 31.823 -0.062 0.000 0.987 604 V HN 0.701 nan 8.190 nan 0.000 0.436 605 I N 4.042 124.527 120.570 -0.141 0.000 2.441 605 I HA 0.745 4.929 4.170 0.024 0.000 0.295 605 I C -0.027 175.985 176.117 -0.175 0.000 0.994 605 I CA -0.213 61.003 61.300 -0.139 0.000 1.144 605 I CB 2.204 40.111 38.000 -0.154 0.000 1.314 605 I HN 0.711 nan 8.210 nan 0.000 0.445 606 T N 5.456 119.895 114.554 -0.191 0.000 3.159 606 T HA 0.436 4.801 4.350 0.024 0.000 0.343 606 T C -1.283 173.219 174.700 -0.329 0.000 1.364 606 T CA -0.751 61.169 62.100 -0.301 0.000 1.102 606 T CB 1.799 70.514 68.868 -0.255 0.000 1.263 606 T HN 0.772 nan 8.240 nan 0.000 0.477 607 R N 1.856 122.027 120.500 -0.549 0.000 2.912 607 R HA 0.632 4.987 4.340 0.024 0.000 0.262 607 R C 1.165 177.204 176.300 -0.435 0.000 1.057 607 R CA 0.331 56.172 56.100 -0.431 0.000 0.981 607 R CB 1.102 31.118 30.300 -0.473 0.000 1.201 607 R HN 1.396 nan 8.270 nan 0.000 0.484 608 G N 0.837 109.481 108.800 -0.260 0.000 2.196 608 G HA2 -0.296 3.679 3.960 0.024 0.000 0.268 608 G HA3 -0.296 3.679 3.960 0.024 0.000 0.268 608 G C 0.143 174.963 174.900 -0.133 0.000 0.975 608 G CA 1.142 46.131 45.100 -0.185 0.000 0.648 608 G HN 0.387 nan 8.290 nan 0.000 0.538 609 L N -1.394 119.747 121.223 -0.137 0.000 2.806 609 L HA 0.485 4.839 4.340 0.024 0.000 0.203 609 L C 1.535 178.367 176.870 -0.064 0.000 1.435 609 L CA -0.416 54.378 54.840 -0.077 0.000 2.687 609 L CB -0.868 41.151 42.059 -0.066 0.000 2.525 609 L HN 0.202 nan 8.230 nan 0.000 0.963 618 E N -0.211 119.998 120.200 0.014 0.000 2.476 618 E HA 0.331 4.695 4.350 0.024 0.000 0.196 618 E C 0.950 177.565 176.600 0.025 0.000 1.029 618 E CA -0.037 56.371 56.400 0.013 0.000 0.896 618 E CB 0.132 29.839 29.700 0.012 0.000 1.012 618 E HN 0.539 nan 8.360 nan 0.000 0.475 619 I N -0.361 120.239 120.570 0.050 0.000 2.731 619 I HA -0.007 4.177 4.170 0.024 0.000 0.260 619 I C 1.992 178.121 176.117 0.021 0.000 1.138 619 I CA 0.572 61.905 61.300 0.056 0.000 1.461 619 I CB 0.157 38.244 38.000 0.146 0.000 1.128 619 I HN 0.093 nan 8.210 nan 0.000 0.438 620 A N 0.771 123.593 122.820 0.004 0.000 1.826 620 A HA -0.184 4.150 4.320 0.024 0.000 0.214 620 A C 2.294 179.866 177.584 -0.021 0.000 1.212 620 A CA 1.544 53.567 52.037 -0.023 0.000 0.605 620 A CB -0.776 18.195 19.000 -0.048 0.000 0.861 620 A HN 0.279 nan 8.150 nan 0.000 0.447 621 K N -0.543 119.845 120.400 -0.021 0.000 2.066 621 K HA -0.318 4.017 4.320 0.024 0.000 0.221 621 K C 2.103 178.694 176.600 -0.015 0.000 1.056 621 K CA 2.411 58.687 56.287 -0.019 0.000 0.950 621 K CB -0.263 32.228 32.500 -0.016 0.000 0.726 621 K HN 0.634 nan 8.250 nan 0.000 0.456 622 E N -0.950 119.244 120.200 -0.010 0.000 2.110 622 E HA -0.146 4.218 4.350 0.024 0.000 0.193 622 E C 1.636 178.227 176.600 -0.016 0.000 0.988 622 E CA 1.736 58.130 56.400 -0.011 0.000 0.804 622 E CB 0.144 29.839 29.700 -0.007 0.000 0.745 622 E HN 0.377 nan 8.360 nan 0.000 0.458 623 T N 0.214 114.757 114.554 -0.019 0.000 2.851 623 T HA -0.141 4.223 4.350 0.024 0.000 0.262 623 T C 1.746 176.427 174.700 -0.032 0.000 1.043 623 T CA 0.940 63.023 62.100 -0.028 0.000 1.140 623 T CB -0.148 68.702 68.868 -0.030 0.000 0.872 623 T HN 0.215 nan 8.240 nan 0.000 0.446 624 Q N 0.618 120.400 119.800 -0.029 0.000 2.364 624 Q HA -0.047 4.308 4.340 0.024 0.000 0.209 624 Q C 2.129 178.118 176.000 -0.018 0.000 0.977 624 Q CA 1.183 56.970 55.803 -0.026 0.000 0.885 624 Q CB -0.149 28.575 28.738 -0.023 0.000 0.941 624 Q HN 0.562 nan 8.270 nan 0.000 0.464 625 A N 0.103 122.913 122.820 -0.017 0.000 2.044 625 A HA 0.039 4.374 4.320 0.024 0.000 0.213 625 A C 1.922 179.502 177.584 -0.007 0.000 1.169 625 A CA 0.198 52.229 52.037 -0.009 0.000 0.724 625 A CB -0.042 18.952 19.000 -0.009 0.000 0.840 625 A HN 0.232 nan 8.150 nan 0.000 0.463 626 R N -0.576 119.915 120.500 -0.015 0.000 2.090 626 R HA -0.029 4.326 4.340 0.024 0.000 0.228 626 R C 2.007 178.292 176.300 -0.025 0.000 1.110 626 R CA 1.217 57.308 56.100 -0.016 0.000 0.973 626 R CB -0.422 29.862 30.300 -0.028 0.000 0.869 626 R HN 0.350 nan 8.270 nan 0.000 0.440 627 V N 1.775 121.665 119.914 -0.042 0.000 2.231 627 V HA -0.301 3.833 4.120 0.024 0.000 0.248 627 V C 2.459 178.528 176.094 -0.042 0.000 1.054 627 V CA 1.738 63.998 62.300 -0.067 0.000 1.015 627 V CB -0.445 31.334 31.823 -0.074 0.000 0.638 627 V HN 0.353 nan 8.190 nan 0.000 0.444 628 L N -0.484 120.736 121.223 -0.006 0.000 2.013 628 L HA -0.261 4.094 4.340 0.024 0.000 0.212 628 L C 2.654 179.545 176.870 0.034 0.000 1.073 628 L CA 2.194 57.054 54.840 0.034 0.000 0.753 628 L CB -0.814 41.264 42.059 0.033 0.000 0.890 628 L HN 0.517 nan 8.230 nan 0.000 0.432 629 E N -0.617 119.601 120.200 0.030 0.000 2.049 629 E HA -0.244 4.121 4.350 0.024 0.000 0.198 629 E C 1.871 178.526 176.600 0.093 0.000 1.007 629 E CA 2.389 58.822 56.400 0.055 0.000 0.809 629 E CB -0.052 29.698 29.700 0.084 0.000 0.749 629 E HN 0.603 nan 8.360 nan 0.000 0.450 630 T N 1.422 116.025 114.554 0.081 0.000 2.665 630 T HA -0.198 4.167 4.350 0.024 0.000 0.268 630 T C 1.973 176.692 174.700 0.033 0.000 1.035 630 T CA 1.282 63.424 62.100 0.069 0.000 1.151 630 T CB -0.199 68.652 68.868 -0.029 0.000 0.862 630 T HN 0.045 nan 8.240 nan 0.000 0.438 631 I N 1.190 121.749 120.570 -0.018 0.000 2.141 631 I HA -0.001 4.184 4.170 0.024 0.000 0.236 631 I C 2.610 178.759 176.117 0.052 0.000 1.071 631 I CA 0.973 62.254 61.300 -0.031 0.000 1.345 631 I CB -1.411 36.543 38.000 -0.076 0.000 1.066 631 I HN 0.242 nan 8.210 nan 0.000 0.406 632 L N 0.488 121.758 121.223 0.078 0.000 1.943 632 L HA -0.267 4.087 4.340 0.024 0.000 0.215 632 L C 2.667 179.542 176.870 0.009 0.000 1.074 632 L CA 1.896 56.773 54.840 0.061 0.000 0.759 632 L CB -0.795 41.286 42.059 0.037 0.000 0.888 632 L HN 0.242 nan 8.230 nan 0.000 0.433 633 K N -0.849 119.525 120.400 -0.044 0.000 2.103 633 K HA -0.145 4.190 4.320 0.024 0.000 0.204 633 K C 1.419 177.840 176.600 -0.297 0.000 1.052 633 K CA 1.390 57.561 56.287 -0.193 0.000 0.945 633 K CB 0.074 32.423 32.500 -0.251 0.000 0.722 633 K HN 0.421 nan 8.250 nan 0.000 0.443 634 H N -1.877 117.196 119.070 0.004 0.000 2.592 634 H HA 0.242 4.812 4.556 0.024 0.000 0.279 634 H C 0.593 175.917 175.328 -0.007 0.000 1.089 634 H CA 0.241 56.288 56.048 -0.002 0.000 1.150 634 H CB 1.314 31.067 29.762 -0.015 0.000 1.575 634 H HN 0.443 nan 8.280 nan 0.000 0.547 635 G N 1.115 109.962 108.800 0.077 0.000 2.225 635 G HA2 -0.328 3.647 3.960 0.024 0.000 0.272 635 G HA3 -0.328 3.647 3.960 0.024 0.000 0.272 635 G C -0.030 174.874 174.900 0.008 0.000 0.996 635 G CA 0.902 46.030 45.100 0.046 0.000 0.710 635 G HN 0.518 nan 8.290 nan 0.000 0.522 636 D N 0.045 120.440 120.400 -0.010 0.000 2.454 636 D HA 0.435 5.090 4.640 0.024 0.000 0.225 636 D C 1.561 177.770 176.300 -0.152 0.000 1.081 636 D CA -0.385 53.576 54.000 -0.065 0.000 0.864 636 D CB 1.363 42.135 40.800 -0.047 0.000 1.040 636 D HN -0.043 nan 8.370 nan 0.000 0.517 637 V N 4.130 123.920 119.914 -0.206 0.000 2.407 637 V HA -0.228 3.906 4.120 0.024 0.000 0.248 637 V C 2.127 178.046 176.094 -0.292 0.000 1.055 637 V CA 1.671 63.769 62.300 -0.337 0.000 1.049 637 V CB -0.234 31.384 31.823 -0.341 0.000 0.662 637 V HN 0.551 nan 8.190 nan 0.000 0.455 638 E N 0.033 120.121 120.200 -0.187 0.000 2.001 638 E HA -0.290 4.075 4.350 0.024 0.000 0.195 638 E C 2.202 178.696 176.600 -0.177 0.000 1.002 638 E CA 1.446 57.742 56.400 -0.174 0.000 0.819 638 E CB -0.317 29.322 29.700 -0.101 0.000 0.769 638 E HN 0.549 nan 8.360 nan 0.000 0.454 639 E N 0.978 121.096 120.200 -0.137 0.000 2.233 639 E HA -0.310 4.055 4.350 0.024 0.000 0.210 639 E C 1.669 178.183 176.600 -0.143 0.000 1.046 639 E CA 1.913 58.237 56.400 -0.126 0.000 0.844 639 E CB -0.313 29.320 29.700 -0.113 0.000 0.741 639 E HN 0.292 nan 8.360 nan 0.000 0.465 640 A N -0.475 122.238 122.820 -0.177 0.000 1.930 640 A HA -0.014 4.321 4.320 0.024 0.000 0.215 640 A C 2.486 179.940 177.584 -0.217 0.000 1.176 640 A CA 1.258 53.182 52.037 -0.188 0.000 0.632 640 A CB -0.388 18.481 19.000 -0.218 0.000 0.819 640 A HN 0.183 nan 8.150 nan 0.000 0.445 641 V N 0.179 119.921 119.914 -0.286 0.000 2.427 641 V HA -0.175 3.959 4.120 0.024 0.000 0.248 641 V C 2.511 178.485 176.094 -0.200 0.000 1.051 641 V CA 1.775 63.893 62.300 -0.303 0.000 1.048 641 V CB -0.865 30.707 31.823 -0.418 0.000 0.666 641 V HN 0.507 nan 8.190 nan 0.000 0.456 642 R N -0.087 120.306 120.500 -0.177 0.000 2.303 642 R HA -0.097 4.258 4.340 0.024 0.000 0.225 642 R C 1.690 177.921 176.300 -0.115 0.000 1.114 642 R CA 1.081 57.105 56.100 -0.128 0.000 1.007 642 R CB -0.064 30.168 30.300 -0.114 0.000 0.861 642 R HN 0.415 nan 8.270 nan 0.000 0.471 643 I N -0.495 119.998 120.570 -0.128 0.000 3.708 643 I HA -0.086 4.098 4.170 0.024 0.000 0.302 643 I C 1.969 178.026 176.117 -0.099 0.000 1.255 643 I CA 0.501 61.738 61.300 -0.105 0.000 1.362 643 I CB -0.325 37.615 38.000 -0.100 0.000 1.100 643 I HN -0.146 nan 8.210 nan 0.000 0.434 644 V N 0.369 120.212 119.914 -0.118 0.000 2.591 644 V HA -0.102 4.033 4.120 0.024 0.000 0.249 644 V C 2.351 178.392 176.094 -0.090 0.000 1.053 644 V CA 1.077 63.314 62.300 -0.104 0.000 1.068 644 V CB -0.916 30.833 31.823 -0.123 0.000 0.689 644 V HN 0.273 nan 8.190 nan 0.000 0.462 645 K N 0.789 121.131 120.400 -0.097 0.000 1.985 645 K HA -0.174 4.160 4.320 0.024 0.000 0.210 645 K C 1.960 178.518 176.600 -0.070 0.000 1.047 645 K CA 1.515 57.753 56.287 -0.081 0.000 0.932 645 K CB -0.336 32.114 32.500 -0.084 0.000 0.716 645 K HN 0.437 nan 8.250 nan 0.000 0.439 646 E N 1.458 121.616 120.200 -0.069 0.000 2.401 646 E HA -0.109 4.255 4.350 0.024 0.000 0.203 646 E C 0.421 176.986 176.600 -0.059 0.000 1.229 646 E CA 0.205 56.568 56.400 -0.061 0.000 1.000 646 E CB 0.077 29.741 29.700 -0.060 0.000 1.052 646 E HN 0.064 nan 8.360 nan 0.000 0.497 647 V N -0.143 119.734 119.914 -0.062 0.000 3.219 647 V HA -0.048 4.087 4.120 0.024 0.000 0.214 647 V C 1.705 177.762 176.094 -0.060 0.000 1.433 647 V CA -0.281 61.985 62.300 -0.057 0.000 1.301 647 V CB 0.041 31.833 31.823 -0.053 0.000 1.160 647 V HN 0.307 nan 8.190 nan 0.000 0.505 648 I N 1.308 121.841 120.570 -0.061 0.000 2.800 648 I HA -0.114 4.071 4.170 0.024 0.000 0.266 648 I C 0.968 177.037 176.117 -0.079 0.000 1.249 648 I CA 1.526 62.790 61.300 -0.061 0.000 1.458 648 I CB -0.182 37.783 38.000 -0.058 0.000 1.093 648 I HN 0.421 nan 8.210 nan 0.000 0.466 649 Q N -0.033 119.720 119.800 -0.079 0.000 2.263 649 Q HA 0.189 4.544 4.340 0.024 0.000 0.337 649 Q C 0.643 176.590 176.000 -0.089 0.000 0.906 649 Q CA 0.048 55.799 55.803 -0.087 0.000 1.124 649 Q CB 0.778 29.476 28.738 -0.068 0.000 1.255 649 Q HN 0.350 nan 8.270 nan 0.000 0.435 650 K N -0.172 120.168 120.400 -0.101 0.000 2.608 650 K HA 0.151 4.486 4.320 0.024 0.000 0.209 650 K C 0.461 176.992 176.600 -0.114 0.000 1.369 650 K CA 0.106 56.343 56.287 -0.083 0.000 1.029 650 K CB 0.939 33.404 32.500 -0.059 0.000 1.139 650 K HN 0.040 nan 8.250 nan 0.000 0.623 651 L N -0.067 121.057 121.223 -0.166 0.000 2.467 651 L HA 0.343 4.697 4.340 0.024 0.000 0.213 651 L C 1.622 178.177 176.870 -0.525 0.000 1.053 651 L CA 1.214 55.911 54.840 -0.237 0.000 0.847 651 L CB 0.590 42.568 42.059 -0.136 0.000 1.075 651 L HN 0.105 nan 8.230 nan 0.000 0.479 652 A N -1.373 121.181 122.820 -0.444 0.000 2.308 652 A HA 0.138 4.472 4.320 0.024 0.000 0.217 652 A C 1.441 178.722 177.584 -0.504 0.000 1.216 652 A CA 0.482 52.188 52.037 -0.552 0.000 0.864 652 A CB -0.419 18.429 19.000 -0.253 0.000 0.902 652 A HN 0.455 nan 8.150 nan 0.000 0.499 653 N N -2.002 116.488 118.700 -0.350 0.000 2.454 653 N HA 0.186 4.941 4.740 0.024 0.000 0.177 653 N C -0.763 174.756 175.510 0.014 0.000 1.049 653 N CA 0.273 53.249 53.050 -0.123 0.000 0.887 653 N CB 0.129 38.584 38.487 -0.054 0.000 1.095 653 N HN 0.268 nan 8.380 nan 0.000 0.446 654 Y N -0.404 119.870 120.300 -0.044 0.000 3.848 654 Y HA -0.138 4.426 4.550 0.024 0.000 0.235 654 Y C -0.615 175.250 175.900 -0.060 0.000 1.385 654 Y CA -0.103 57.961 58.100 -0.060 0.000 1.898 654 Y CB -2.431 36.000 38.460 -0.048 0.000 1.598 654 Y HN 0.055 nan 8.280 nan 0.000 0.667 655 E N 1.324 121.549 120.200 0.041 0.000 2.815 655 E HA 0.397 4.762 4.350 0.024 0.000 0.211 655 E C 0.188 176.781 176.600 -0.012 0.000 1.004 655 E CA -0.052 56.356 56.400 0.014 0.000 1.173 655 E CB 0.336 30.036 29.700 0.000 0.000 1.163 655 E HN 0.411 nan 8.360 nan 0.000 0.449 656 I N -2.254 118.302 120.570 -0.024 0.000 2.447 656 I HA 0.587 4.771 4.170 0.024 0.000 0.287 656 I C -2.485 173.608 176.117 -0.041 0.000 1.023 656 I CA -2.709 58.568 61.300 -0.039 0.000 1.083 656 I CB 1.121 39.086 38.000 -0.058 0.000 1.245 656 I HN -0.194 nan 8.210 nan 0.000 0.434 657 P HA -0.023 nan 4.420 nan 0.000 0.263 657 P C -2.270 175.012 177.300 -0.030 0.000 1.145 657 P CA -0.087 62.998 63.100 -0.024 0.000 0.755 657 P CB -0.149 31.542 31.700 -0.016 0.000 0.746 658 P HA 0.015 nan 4.420 nan 0.000 0.258 658 P C 0.225 177.522 177.300 -0.006 0.000 1.559 658 P CA 0.626 63.712 63.100 -0.024 0.000 0.855 658 P CB 0.090 31.779 31.700 -0.019 0.000 1.594 659 E N -0.212 119.985 120.200 -0.005 0.000 2.330 659 E HA 0.096 4.460 4.350 0.024 0.000 0.200 659 E C 1.056 177.662 176.600 0.010 0.000 0.922 659 E CA 0.152 56.553 56.400 0.002 0.000 0.935 659 E CB 0.069 29.768 29.700 -0.002 0.000 0.917 659 E HN 0.219 nan 8.360 nan 0.000 0.491 660 K N 1.141 121.550 120.400 0.016 0.000 2.520 660 K HA 0.162 4.496 4.320 0.024 0.000 0.205 660 K C 1.041 177.683 176.600 0.069 0.000 1.035 660 K CA 0.152 56.457 56.287 0.031 0.000 1.188 660 K CB 0.406 32.921 32.500 0.026 0.000 0.894 660 K HN 0.120 nan 8.250 nan 0.000 0.497 661 L N -0.202 121.069 121.223 0.080 0.000 2.470 661 L HA 0.194 4.549 4.340 0.024 0.000 0.219 661 L C 1.204 178.106 176.870 0.053 0.000 1.071 661 L CA -0.023 54.902 54.840 0.142 0.000 0.850 661 L CB -0.472 41.723 42.059 0.227 0.000 1.040 661 L HN -0.025 nan 8.230 nan 0.000 0.475 680 H N 0.615 119.760 119.070 0.126 0.000 2.505 680 H HA 0.607 5.175 4.556 0.020 0.000 0.355 680 H C 1.444 176.796 175.328 0.040 0.000 1.179 680 H CA -0.292 55.830 56.048 0.124 0.000 1.343 680 H CB 0.734 30.546 29.762 0.082 0.000 1.501 680 H HN -0.177 nan 8.280 nan 0.000 0.569 681 V N -0.614 119.310 119.914 0.017 0.000 0.481 681 V HA -0.426 3.708 4.120 0.024 0.000 0.092 681 V C 2.327 178.413 176.094 -0.012 0.000 2.400 681 V CA 3.020 65.264 62.300 -0.093 0.000 3.646 681 V CB -2.300 29.361 31.823 -0.271 0.000 0.927 681 V HN 1.019 nan 8.190 nan 0.000 0.973 682 A N -0.597 122.276 122.820 0.088 0.000 1.958 682 A HA -0.106 4.229 4.320 0.024 0.000 0.221 682 A C 1.418 179.035 177.584 0.055 0.000 1.178 682 A CA 2.858 54.945 52.037 0.083 0.000 0.642 682 A CB -0.452 18.622 19.000 0.122 0.000 0.816 682 A HN 1.510 nan 8.150 nan 0.000 0.453 683 V N -1.315 118.635 119.914 0.060 0.000 2.955 683 V HA 0.534 4.669 4.120 0.024 0.000 0.379 683 V C 0.485 176.568 176.094 -0.018 0.000 1.288 683 V CA 0.184 62.505 62.300 0.035 0.000 1.358 683 V CB -0.334 31.535 31.823 0.078 0.000 1.406 683 V HN 0.574 nan 8.190 nan 0.000 0.569 684 A N 1.035 123.829 122.820 -0.043 0.000 3.056 684 A HA 0.742 5.077 4.320 0.024 0.000 0.328 684 A C 0.714 178.281 177.584 -0.029 0.000 1.233 684 A CA -0.258 51.746 52.037 -0.055 0.000 0.965 684 A CB 0.287 19.238 19.000 -0.081 0.000 1.123 684 A HN 0.311 nan 8.150 nan 0.000 0.502 685 K N -0.283 120.109 120.400 -0.013 0.000 2.603 685 K HA 0.291 4.625 4.320 0.024 0.000 0.216 685 K C 0.880 177.480 176.600 -0.000 0.000 1.562 685 K CA 0.761 57.046 56.287 -0.003 0.000 1.012 685 K CB 0.368 32.873 32.500 0.008 0.000 1.280 685 K HN 0.388 nan 8.250 nan 0.000 0.620 686 K N -0.971 119.429 120.400 -0.001 0.000 2.598 686 K HA 0.233 4.568 4.320 0.024 0.000 0.214 686 K C 0.770 177.370 176.600 -0.001 0.000 1.575 686 K CA 0.106 56.394 56.287 0.002 0.000 1.042 686 K CB 0.549 33.054 32.500 0.008 0.000 1.338 686 K HN -0.075 nan 8.250 nan 0.000 0.590 687 L N 1.469 122.688 121.223 -0.007 0.000 2.362 687 L HA 0.059 4.413 4.340 0.024 0.000 0.219 687 L C 1.850 178.713 176.870 -0.011 0.000 1.134 687 L CA 1.030 55.863 54.840 -0.010 0.000 0.807 687 L CB -0.107 41.938 42.059 -0.023 0.000 0.927 687 L HN 0.134 nan 8.230 nan 0.000 0.447 688 A N -0.985 121.828 122.820 -0.011 0.000 2.225 688 A HA -0.044 4.291 4.320 0.024 0.000 0.215 688 A C 2.300 179.881 177.584 -0.005 0.000 1.164 688 A CA 1.406 53.438 52.037 -0.009 0.000 0.710 688 A CB -0.610 18.384 19.000 -0.009 0.000 0.780 688 A HN 0.491 nan 8.150 nan 0.000 0.473 689 A N 0.303 123.122 122.820 -0.003 0.000 1.859 689 A HA 0.064 4.399 4.320 0.024 0.000 0.212 689 A C 1.590 179.175 177.584 0.000 0.000 1.238 689 A CA 0.896 52.932 52.037 -0.001 0.000 0.613 689 A CB -0.326 18.674 19.000 -0.000 0.000 0.904 689 A HN 0.397 nan 8.150 nan 0.000 0.457 690 K N 0.507 120.907 120.400 0.000 0.000 2.985 690 K HA 0.090 4.424 4.320 0.024 0.000 0.245 690 K C 0.847 177.450 176.600 0.005 0.000 0.838 690 K CA 0.391 56.680 56.287 0.003 0.000 1.027 690 K CB -1.100 31.401 32.500 0.001 0.000 0.890 690 K HN 0.735 nan 8.250 nan 0.000 0.455 691 G N 0.480 109.284 108.800 0.006 0.000 2.233 691 G HA2 -0.275 3.700 3.960 0.024 0.000 0.270 691 G HA3 -0.275 3.700 3.960 0.024 0.000 0.270 691 G C 0.412 175.319 174.900 0.011 0.000 1.011 691 G CA 0.201 45.308 45.100 0.011 0.000 0.762 691 G HN 0.303 nan 8.290 nan 0.000 0.511 692 V N 0.400 120.316 119.914 0.003 0.000 3.273 692 V HA 0.090 4.224 4.120 0.024 0.000 0.379 692 V C 1.487 177.578 176.094 -0.005 0.000 1.256 692 V CA 0.550 62.849 62.300 -0.002 0.000 1.455 692 V CB -0.352 31.465 31.823 -0.011 0.000 1.247 692 V HN 0.472 nan 8.190 nan 0.000 0.469 693 K N 1.803 122.207 120.400 0.006 0.000 2.188 693 K HA -0.057 4.277 4.320 0.024 0.000 0.203 693 K C 0.311 176.916 176.600 0.009 0.000 1.033 693 K CA 0.218 56.511 56.287 0.010 0.000 1.296 693 K CB -0.370 32.145 32.500 0.025 0.000 1.009 693 K HN 0.309 nan 8.250 nan 0.000 0.243 694 I N 1.958 122.520 120.570 -0.014 0.000 2.575 694 I HA 0.105 4.290 4.170 0.024 0.000 0.285 694 I C 0.026 176.124 176.117 -0.030 0.000 1.085 694 I CA 0.210 61.491 61.300 -0.032 0.000 1.403 694 I CB 0.815 38.778 38.000 -0.062 0.000 1.409 694 I HN 0.392 nan 8.210 nan 0.000 0.557 695 K N 6.523 126.902 120.400 -0.035 0.000 2.532 695 K HA 0.408 4.743 4.320 0.024 0.000 0.265 695 K C -2.356 174.209 176.600 -0.059 0.000 0.948 695 K CA -1.274 54.992 56.287 -0.034 0.000 0.842 695 K CB 1.799 34.296 32.500 -0.004 0.000 1.392 695 K HN 0.231 nan 8.250 nan 0.000 0.436 696 P HA 0.041 nan 4.420 nan 0.000 0.218 696 P C -0.368 176.886 177.300 -0.076 0.000 1.473 696 P CA 0.298 63.359 63.100 -0.064 0.000 0.957 696 P CB -0.181 31.489 31.700 -0.050 0.000 1.772 697 G N 0.394 109.143 108.800 -0.085 0.000 4.713 697 G HA2 0.230 4.205 3.960 0.024 0.000 0.227 697 G HA3 0.230 4.205 3.960 0.024 0.000 0.227 697 G C -0.736 174.111 174.900 -0.088 0.000 2.776 697 G CA -0.414 44.628 45.100 -0.097 0.000 0.692 697 G HN 0.027 nan 8.290 nan 0.000 0.221 698 M N 1.150 120.703 119.600 -0.078 0.000 2.393 698 M HA 0.437 4.931 4.480 0.024 0.000 0.299 698 M C 0.271 176.518 176.300 -0.090 0.000 1.103 698 M CA -1.215 54.039 55.300 -0.076 0.000 0.910 698 M CB 1.565 34.127 32.600 -0.065 0.000 1.659 698 M HN 0.124 nan 8.290 nan 0.000 0.445 699 V N 5.734 125.580 119.914 -0.114 0.000 2.694 699 V HA 0.368 4.503 4.120 0.024 0.000 0.306 699 V C -0.714 175.339 176.094 -0.068 0.000 1.054 699 V CA 0.313 62.547 62.300 -0.111 0.000 1.161 699 V CB -0.014 31.704 31.823 -0.175 0.000 0.916 699 V HN 0.767 nan 8.190 nan 0.000 0.490 700 I N 3.862 124.418 120.570 -0.022 0.000 2.651 700 I HA 0.623 4.807 4.170 0.024 0.000 0.287 700 I C 0.175 176.403 176.117 0.186 0.000 1.244 700 I CA -0.079 61.243 61.300 0.036 0.000 1.061 700 I CB 1.312 39.265 38.000 -0.079 0.000 1.286 700 I HN 0.548 nan 8.210 nan 0.000 0.434 701 G N 4.650 113.556 108.800 0.176 0.000 4.433 701 G HA2 0.271 4.246 3.960 0.024 0.000 0.304 701 G HA3 0.271 4.246 3.960 0.024 0.000 0.304 701 G C -0.027 174.957 174.900 0.140 0.000 1.254 701 G CA -0.526 44.657 45.100 0.139 0.000 0.999 701 G HN 0.731 nan 8.290 nan 0.000 0.576 702 Y N -0.409 119.889 120.300 -0.003 0.000 2.805 702 Y HA 0.356 4.919 4.550 0.022 0.000 0.337 702 Y C 0.699 176.609 175.900 0.017 0.000 1.252 702 Y CA -1.245 56.859 58.100 0.006 0.000 1.515 702 Y CB 0.684 39.149 38.460 0.009 0.000 1.305 702 Y HN 0.153 nan 8.280 nan 0.000 0.600 703 I N 4.378 124.957 120.570 0.015 0.000 2.886 703 I HA 0.600 4.785 4.170 0.024 0.000 0.299 703 I C -0.832 175.280 176.117 -0.008 0.000 1.044 703 I CA -0.627 60.654 61.300 -0.032 0.000 1.310 703 I CB 1.184 39.194 38.000 0.015 0.000 1.441 703 I HN 0.689 nan 8.210 nan 0.000 0.578 730 A N 0.568 123.536 122.820 0.248 0.000 1.964 730 A HA 0.145 4.479 4.320 0.024 0.000 0.198 730 A C 1.407 179.106 177.584 0.192 0.000 1.599 730 A CA 0.558 52.721 52.037 0.209 0.000 0.968 730 A CB -0.100 18.965 19.000 0.108 0.000 1.029 730 A HN 0.492 nan 8.150 nan 0.000 0.508 731 E N -1.317 118.979 120.200 0.160 0.000 2.455 731 E HA -0.154 4.211 4.350 0.024 0.000 0.202 731 E C 1.029 177.736 176.600 0.178 0.000 1.045 731 E CA 0.775 57.251 56.400 0.127 0.000 0.872 731 E CB -0.246 29.517 29.700 0.104 0.000 0.792 731 E HN 0.651 nan 8.360 nan 0.000 0.542 732 Y N -0.677 119.652 120.300 0.050 0.000 2.792 732 Y HA -0.102 4.461 4.550 0.022 0.000 0.228 732 Y C 1.318 177.203 175.900 -0.026 0.000 0.963 732 Y CA 1.180 59.266 58.100 -0.022 0.000 1.002 732 Y CB -1.103 37.326 38.460 -0.051 0.000 1.061 732 Y HN 0.003 nan 8.280 nan 0.000 0.465 733 Y N 0.355 120.728 120.300 0.122 0.000 2.284 733 Y HA -0.445 4.121 4.550 0.026 0.000 0.247 733 Y C 2.589 178.442 175.900 -0.078 0.000 1.337 733 Y CA 2.481 60.576 58.100 -0.008 0.000 1.027 733 Y CB -1.132 37.368 38.460 0.068 0.000 0.826 733 Y HN 0.260 nan 8.280 nan 0.000 0.526 734 I N -1.035 119.604 120.570 0.114 0.000 2.202 734 I HA -0.250 3.934 4.170 0.024 0.000 0.242 734 I C 2.225 178.318 176.117 -0.040 0.000 1.091 734 I CA 1.391 62.703 61.300 0.019 0.000 1.368 734 I CB -0.244 37.762 38.000 0.010 0.000 1.058 734 I HN 0.341 nan 8.210 nan 0.000 0.410 735 E N 0.171 120.342 120.200 -0.049 0.000 2.048 735 E HA -0.139 4.225 4.350 0.024 0.000 0.193 735 E C 1.741 178.237 176.600 -0.174 0.000 0.956 735 E CA 1.082 57.434 56.400 -0.080 0.000 0.846 735 E CB -0.803 28.882 29.700 -0.025 0.000 0.827 735 E HN 0.451 nan 8.360 nan 0.000 0.466 736 N N 0.126 118.656 118.700 -0.284 0.000 2.272 736 N HA -0.209 4.546 4.740 0.024 0.000 0.185 736 N C 1.628 176.858 175.510 -0.467 0.000 1.014 736 N CA 1.098 53.907 53.050 -0.400 0.000 0.870 736 N CB 0.276 38.403 38.487 -0.600 0.000 0.975 736 N HN -0.028 nan 8.380 nan 0.000 0.433 737 Q N -0.465 119.018 119.800 -0.528 0.000 3.074 737 Q HA 0.247 4.602 4.340 0.024 0.000 0.231 737 Q C 1.709 177.593 176.000 -0.194 0.000 1.167 737 Q CA 0.385 55.955 55.803 -0.389 0.000 0.313 737 Q CB -0.556 27.877 28.738 -0.507 0.000 5.795 737 Q HN 0.030 nan 8.270 nan 0.000 0.323 738 V N 1.093 120.934 119.914 -0.121 0.000 2.295 738 V HA -0.420 3.714 4.120 0.024 0.000 0.261 738 V C 2.240 178.292 176.094 -0.069 0.000 1.097 738 V CA 2.369 64.628 62.300 -0.067 0.000 1.100 738 V CB -0.873 30.932 31.823 -0.030 0.000 0.737 738 V HN 0.484 nan 8.190 nan 0.000 0.458 739 L N -0.611 120.569 121.223 -0.073 0.000 1.961 739 L HA -0.126 4.229 4.340 0.024 0.000 0.210 739 L C 0.255 177.092 176.870 -0.055 0.000 1.072 739 L CA 2.473 57.278 54.840 -0.059 0.000 0.749 739 L CB -2.012 40.017 42.059 -0.050 0.000 0.889 739 L HN 0.388 nan 8.230 nan 0.000 0.432 740 P HA -0.191 nan 4.420 nan 0.000 0.217 740 P C 1.089 178.362 177.300 -0.045 0.000 1.148 740 P CA 1.753 64.820 63.100 -0.054 0.000 0.834 740 P CB -0.048 31.610 31.700 -0.069 0.000 0.783 741 A N -1.441 121.346 122.820 -0.056 0.000 2.167 741 A HA 0.032 4.366 4.320 0.024 0.000 0.214 741 A C 1.974 179.539 177.584 -0.031 0.000 1.151 741 A CA 1.065 53.075 52.037 -0.045 0.000 0.735 741 A CB -0.767 18.200 19.000 -0.055 0.000 0.802 741 A HN 0.128 nan 8.150 nan 0.000 0.467 742 V N -0.814 119.079 119.914 -0.034 0.000 3.604 742 V HA 0.139 4.273 4.120 0.024 0.000 0.277 742 V C 1.804 177.886 176.094 -0.021 0.000 1.399 742 V CA 0.111 62.391 62.300 -0.034 0.000 1.034 742 V CB 0.474 32.264 31.823 -0.054 0.000 0.824 742 V HN 0.504 nan 8.190 nan 0.000 0.439 743 L N -0.199 121.015 121.223 -0.015 0.000 2.270 743 L HA 0.049 4.403 4.340 0.024 0.000 0.210 743 L C 2.442 179.328 176.870 0.028 0.000 1.104 743 L CA 1.348 56.190 54.840 0.003 0.000 0.804 743 L CB -0.215 41.839 42.059 -0.008 0.000 0.937 743 L HN 0.311 nan 8.230 nan 0.000 0.450 744 R N 0.034 120.550 120.500 0.026 0.000 2.070 744 R HA -0.131 4.223 4.340 0.024 0.000 0.227 744 R C 2.140 178.492 176.300 0.086 0.000 1.147 744 R CA 1.379 57.505 56.100 0.044 0.000 0.924 744 R CB -0.408 29.910 30.300 0.029 0.000 0.827 744 R HN 0.066 nan 8.270 nan 0.000 0.431 745 I N 0.851 121.485 120.570 0.108 0.000 2.188 745 I HA -0.406 3.778 4.170 0.024 0.000 0.246 745 I C 1.939 178.169 176.117 0.187 0.000 1.033 745 I CA 1.686 63.094 61.300 0.181 0.000 1.307 745 I CB -0.257 37.812 38.000 0.115 0.000 1.005 745 I HN 0.233 nan 8.210 nan 0.000 0.421 746 L N -0.795 120.517 121.223 0.148 0.000 2.313 746 L HA -0.137 4.218 4.340 0.024 0.000 0.214 746 L C 2.330 179.368 176.870 0.281 0.000 1.119 746 L CA 0.736 55.734 54.840 0.262 0.000 0.809 746 L CB -0.693 41.436 42.059 0.116 0.000 0.933 746 L HN 0.306 nan 8.230 nan 0.000 0.449 747 E N 0.909 121.192 120.200 0.139 0.000 2.086 747 E HA -0.270 4.095 4.350 0.024 0.000 0.205 747 E C 2.124 178.742 176.600 0.031 0.000 1.027 747 E CA 1.371 57.816 56.400 0.075 0.000 0.830 747 E CB -0.370 29.352 29.700 0.037 0.000 0.751 747 E HN 0.568 nan 8.360 nan 0.000 0.456 748 G N -0.363 108.418 108.800 -0.031 0.000 2.845 748 G HA2 -0.261 3.714 3.960 0.024 0.000 0.224 748 G HA3 -0.261 3.714 3.960 0.024 0.000 0.224 748 G C 0.838 175.221 174.900 -0.862 0.000 1.073 748 G CA 1.414 46.280 45.100 -0.391 0.000 0.713 748 G HN 0.255 nan 8.290 nan 0.000 0.625 749 F N -1.279 118.637 119.950 -0.057 0.000 2.825 749 F HA 0.425 4.966 4.527 0.024 0.000 0.322 749 F C 1.739 177.385 175.800 -0.257 0.000 1.127 749 F CA -0.209 57.724 58.000 -0.110 0.000 1.164 749 F CB 0.575 39.598 39.000 0.039 0.000 1.101 749 F HN 0.185 nan 8.300 nan 0.000 0.529 750 G N -0.183 108.598 108.800 -0.032 0.000 2.377 750 G HA2 -0.379 3.595 3.960 0.024 0.000 0.250 750 G HA3 -0.379 3.595 3.960 0.024 0.000 0.250 750 G C 0.465 175.328 174.900 -0.061 0.000 1.039 750 G CA 0.180 45.223 45.100 -0.095 0.000 0.625 750 G HN 0.326 nan 8.290 nan 0.000 0.526 751 Y N 0.542 120.867 120.300 0.042 0.000 2.748 751 Y HA 0.378 4.942 4.550 0.024 0.000 0.352 751 Y C 1.499 177.403 175.900 0.006 0.000 1.274 751 Y CA 0.765 58.872 58.100 0.012 0.000 1.472 751 Y CB 0.273 38.730 38.460 -0.004 0.000 1.350 751 Y HN 0.299 nan 8.280 nan 0.000 0.672 752 R N 0.464 121.066 120.500 0.170 0.000 2.680 752 R HA 0.120 4.474 4.340 0.024 0.000 0.269 752 R C 0.601 176.934 176.300 0.056 0.000 1.026 752 R CA -0.635 55.516 56.100 0.085 0.000 0.889 752 R CB 1.926 32.256 30.300 0.050 0.000 1.241 752 R HN 0.844 nan 8.270 nan 0.000 0.463 753 K N 1.036 121.454 120.400 0.030 0.000 2.169 753 K HA -0.297 4.037 4.320 0.024 0.000 0.213 753 K C 0.510 177.113 176.600 0.006 0.000 1.050 753 K CA 1.721 58.014 56.287 0.009 0.000 0.935 753 K CB -0.177 32.324 32.500 0.002 0.000 0.722 753 K HN 0.462 nan 8.250 nan 0.000 0.468 754 E N 2.283 122.491 120.200 0.013 0.000 4.015 754 E HA -0.256 4.109 4.350 0.024 0.000 0.532 754 E C 1.663 178.266 176.600 0.005 0.000 0.787 754 E CA 1.475 57.880 56.400 0.010 0.000 3.517 754 E CB -0.975 28.734 29.700 0.016 0.000 0.848 754 E HN 0.636 nan 8.360 nan 0.000 0.391 755 D N 1.433 121.840 120.400 0.012 0.000 3.523 755 D HA -0.319 4.336 4.640 0.024 0.000 0.258 755 D C 2.146 178.440 176.300 -0.009 0.000 1.189 755 D CA 2.420 56.424 54.000 0.008 0.000 0.935 755 D CB -1.072 39.745 40.800 0.029 0.000 1.003 755 D HN 0.292 nan 8.370 nan 0.000 0.545 756 L N 0.689 121.906 121.223 -0.011 0.000 2.195 756 L HA -0.330 4.025 4.340 0.024 0.000 0.225 756 L C 3.122 179.966 176.870 -0.043 0.000 1.096 756 L CA 2.322 57.138 54.840 -0.040 0.000 0.814 756 L CB -0.405 41.633 42.059 -0.035 0.000 0.901 756 L HN 0.149 nan 8.230 nan 0.000 0.446 757 R N -2.200 118.282 120.500 -0.030 0.000 2.124 757 R HA 0.014 4.368 4.340 0.024 0.000 0.215 757 R C 0.281 176.560 176.300 -0.034 0.000 1.145 757 R CA 1.998 58.079 56.100 -0.031 0.000 0.898 757 R CB -0.317 29.970 30.300 -0.021 0.000 0.790 757 R HN 0.316 nan 8.270 nan 0.000 0.458 758 Y N 0.000 120.284 120.300 -0.027 0.000 2.660 758 Y HA 0.000 4.565 4.550 0.024 0.000 0.201 758 Y CA 0.000 nan 58.100 nan 0.000 1.940 758 Y CB 0.000 nan 38.460 nan 0.000 1.050 758 Y HN 0.000 nan 8.280 nan 0.000 0.758