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 2eba_1_C DATA FIRST_RESID 1 DATA SEQUENCE MLDFYALEDL LTPEEKEVQK AARRFLEKEA LPHIRDWWEE GVFPTHLIPR DATA SEQUENCE FAELGFLGPT LPPEYGGAGV SSAAYGLICY ELERVDSGLR SFVSVQSSLV DATA SEQUENCE MYPIYAYGSE EQKREFLPKL ARGEMVGCFG LTEPDGGSDP YGNMKTRARR DATA SEQUENCE XXDTWVLNGT KMWITNGNLA HLAVIWAKDX XXEVLGFLVP TDTPGFQARE DATA SEQUENCE VKRKMSLRAS VTSELVLEEV RVPESLRLPK ALGLKAPLSC LTQARFGIAW DATA SEQUENCE GAMGALEAVY EEAVAFAKSR STFGEPLAKK QLVQAKLAEM LAWHTEGLLL DATA SEQUENCE AWRLARLKDE GKLTPAQVSL AKRQNVWKAL QAARMARDIL GGSGITLEYH DATA SEQUENCE AIRHMLNLET VYTYEGTHDV HTLVLGREIT GLNAF 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 0.000 176.380 176.300 0.133 0.000 1.140 1 M CA 0.000 55.391 55.300 0.152 0.000 0.988 1 M CB 0.000 32.666 32.600 0.111 0.000 1.302 2 L N 2.158 123.475 121.223 0.156 0.000 2.360 2 L HA 0.601 4.942 4.340 0.001 0.000 0.276 2 L C -0.997 175.965 176.870 0.154 0.000 1.121 2 L CA 1.261 56.123 54.840 0.036 0.000 0.845 2 L CB 0.452 42.331 42.059 -0.301 0.000 1.143 2 L HN 0.742 nan 8.230 nan 0.000 0.452 3 D N 3.426 123.908 120.400 0.137 0.000 2.826 3 D HA 0.022 4.662 4.640 0.001 0.000 0.239 3 D C 0.124 176.544 176.300 0.200 0.000 1.329 3 D CA -0.347 53.755 54.000 0.170 0.000 0.854 3 D CB -0.214 40.647 40.800 0.103 0.000 1.494 3 D HN 0.411 nan 8.370 nan 0.000 0.540 4 F N 1.808 121.794 119.950 0.061 0.000 2.293 4 F HA 0.033 4.560 4.527 0.001 0.000 0.300 4 F C 0.494 176.448 175.800 0.257 0.000 1.086 4 F CA 1.146 59.201 58.000 0.093 0.000 1.375 4 F CB 0.138 39.153 39.000 0.025 0.000 1.045 4 F HN 0.311 nan 8.300 nan 0.000 0.516 5 Y N 0.610 120.858 120.300 -0.087 0.000 2.571 5 Y HA 0.537 5.087 4.550 0.001 0.000 0.275 5 Y C 1.191 176.986 175.900 -0.174 0.000 1.179 5 Y CA -0.793 57.183 58.100 -0.207 0.000 1.242 5 Y CB -0.816 37.553 38.460 -0.151 0.000 1.126 5 Y HN 0.101 nan 8.280 nan 0.000 0.524 6 A N 0.182 123.011 122.820 0.016 0.000 2.560 6 A HA -0.218 4.102 4.320 0.001 0.000 0.299 6 A C 1.131 178.672 177.584 -0.071 0.000 1.484 6 A CA 0.654 52.671 52.037 -0.034 0.000 0.749 6 A CB -1.776 17.179 19.000 -0.075 0.000 1.072 6 A HN 0.368 nan 8.150 nan 0.000 0.426 7 L N -0.545 120.638 121.223 -0.067 0.000 2.376 7 L HA -0.085 4.256 4.340 0.001 0.000 0.219 7 L C 2.223 179.035 176.870 -0.097 0.000 1.133 7 L CA 1.977 56.722 54.840 -0.159 0.000 0.816 7 L CB -0.941 41.018 42.059 -0.167 0.000 0.933 7 L HN 0.769 nan 8.230 nan 0.000 0.449 8 E N -0.059 120.122 120.200 -0.031 0.000 2.331 8 E HA -0.221 4.129 4.350 0.001 0.000 0.199 8 E C 1.202 177.800 176.600 -0.004 0.000 1.008 8 E CA 0.771 57.173 56.400 0.004 0.000 0.843 8 E CB 0.129 29.838 29.700 0.015 0.000 0.761 8 E HN 0.414 nan 8.360 nan 0.000 0.507 9 D N 0.024 120.399 120.400 -0.040 0.000 2.269 9 D HA -0.064 4.577 4.640 0.001 0.000 0.208 9 D C 1.323 177.603 176.300 -0.034 0.000 0.963 9 D CA 0.682 54.658 54.000 -0.040 0.000 0.864 9 D CB 0.168 40.926 40.800 -0.069 0.000 0.936 9 D HN 0.206 nan 8.370 nan 0.000 0.505 10 L N 0.001 121.186 121.223 -0.064 0.000 2.611 10 L HA 0.198 4.539 4.340 0.001 0.000 0.229 10 L C 0.343 177.308 176.870 0.158 0.000 1.137 10 L CA -0.007 54.828 54.840 -0.008 0.000 0.901 10 L CB 0.054 41.939 42.059 -0.288 0.000 1.098 10 L HN -0.146 nan 8.230 nan 0.000 0.456 11 L N -0.128 121.162 121.223 0.113 0.000 2.322 11 L HA 0.373 4.713 4.340 0.001 0.000 0.279 11 L C 0.826 177.753 176.870 0.095 0.000 1.036 11 L CA -0.590 54.332 54.840 0.137 0.000 0.807 11 L CB 1.711 43.838 42.059 0.113 0.000 1.226 11 L HN 0.082 nan 8.230 nan 0.000 0.433 12 T N -1.279 113.331 114.554 0.093 0.000 2.766 12 T HA 0.192 4.543 4.350 0.001 0.000 0.295 12 T C -1.971 172.761 174.700 0.054 0.000 1.024 12 T CA -1.365 60.776 62.100 0.068 0.000 1.018 12 T CB 1.045 69.950 68.868 0.062 0.000 1.002 12 T HN 0.339 nan 8.240 nan 0.000 0.532 13 P HA -0.059 nan 4.420 nan 0.000 0.216 13 P C 1.566 178.889 177.300 0.040 0.000 1.153 13 P CA 0.882 64.006 63.100 0.039 0.000 0.848 13 P CB 0.054 31.774 31.700 0.034 0.000 0.787 14 E N 0.514 120.737 120.200 0.039 0.000 2.077 14 E HA -0.232 4.119 4.350 0.001 0.000 0.193 14 E C 1.597 178.220 176.600 0.039 0.000 0.989 14 E CA 1.245 57.667 56.400 0.038 0.000 0.800 14 E CB -0.234 29.487 29.700 0.034 0.000 0.746 14 E HN 0.313 nan 8.360 nan 0.000 0.452 15 E N 0.258 120.480 120.200 0.038 0.000 2.204 15 E HA -0.125 4.225 4.350 0.001 0.000 0.194 15 E C 2.037 178.652 176.600 0.026 0.000 0.989 15 E CA 0.714 57.129 56.400 0.026 0.000 0.824 15 E CB 0.060 29.780 29.700 0.034 0.000 0.756 15 E HN 0.187 nan 8.360 nan 0.000 0.477 16 K N 0.475 120.898 120.400 0.038 0.000 2.305 16 K HA -0.047 4.273 4.320 0.001 0.000 0.199 16 K C 2.001 178.630 176.600 0.048 0.000 1.047 16 K CA 0.444 56.755 56.287 0.040 0.000 0.976 16 K CB 0.240 32.766 32.500 0.042 0.000 0.765 16 K HN -0.026 nan 8.250 nan 0.000 0.474 17 E N 0.934 121.164 120.200 0.051 0.000 2.122 17 E HA -0.100 4.251 4.350 0.001 0.000 0.190 17 E C 2.008 178.655 176.600 0.079 0.000 0.977 17 E CA 0.868 57.305 56.400 0.061 0.000 0.820 17 E CB 0.152 29.885 29.700 0.055 0.000 0.770 17 E HN 0.148 nan 8.360 nan 0.000 0.462 18 V N 0.178 120.137 119.914 0.075 0.000 2.490 18 V HA -0.197 3.924 4.120 0.001 0.000 0.250 18 V C 2.365 178.530 176.094 0.118 0.000 1.061 18 V CA 2.002 64.365 62.300 0.106 0.000 1.064 18 V CB -0.538 31.337 31.823 0.086 0.000 0.670 18 V HN 0.138 nan 8.190 nan 0.000 0.461 19 Q N 0.300 120.145 119.800 0.076 0.000 2.049 19 Q HA -0.168 4.173 4.340 0.001 0.000 0.198 19 Q C 2.328 178.399 176.000 0.118 0.000 0.971 19 Q CA 1.630 57.480 55.803 0.078 0.000 0.833 19 Q CB -0.087 28.672 28.738 0.035 0.000 0.896 19 Q HN 0.639 nan 8.270 nan 0.000 0.434 20 K N 0.519 120.982 120.400 0.105 0.000 2.026 20 K HA -0.092 4.229 4.320 0.001 0.000 0.208 20 K C 2.092 178.779 176.600 0.146 0.000 1.048 20 K CA 1.228 57.583 56.287 0.112 0.000 0.929 20 K CB -0.654 31.900 32.500 0.089 0.000 0.713 20 K HN 0.246 nan 8.250 nan 0.000 0.439 21 A N 1.772 124.685 122.820 0.154 0.000 1.883 21 A HA -0.120 4.201 4.320 0.001 0.000 0.217 21 A C 2.497 180.255 177.584 0.291 0.000 1.186 21 A CA 2.296 54.446 52.037 0.187 0.000 0.624 21 A CB -0.750 18.344 19.000 0.157 0.000 0.822 21 A HN 0.328 nan 8.150 nan 0.000 0.444 22 A N -0.307 122.717 122.820 0.340 0.000 1.883 22 A HA -0.225 4.096 4.320 0.001 0.000 0.217 22 A C 2.272 180.098 177.584 0.403 0.000 1.186 22 A CA 2.025 54.365 52.037 0.506 0.000 0.624 22 A CB -0.529 18.674 19.000 0.338 0.000 0.822 22 A HN 0.578 nan 8.150 nan 0.000 0.444 23 R N -0.599 120.056 120.500 0.259 0.000 2.075 23 R HA -0.095 4.246 4.340 0.001 0.000 0.232 23 R C 2.426 178.834 176.300 0.179 0.000 1.126 23 R CA 1.401 57.618 56.100 0.194 0.000 0.963 23 R CB -0.234 30.160 30.300 0.157 0.000 0.858 23 R HN 0.533 nan 8.270 nan 0.000 0.435 24 R N -0.445 120.173 120.500 0.196 0.000 2.081 24 R HA -0.170 4.171 4.340 0.001 0.000 0.235 24 R C 2.219 178.649 176.300 0.217 0.000 1.131 24 R CA 1.695 57.899 56.100 0.174 0.000 0.960 24 R CB -0.577 29.821 30.300 0.163 0.000 0.856 24 R HN 0.244 nan 8.270 nan 0.000 0.436 25 F N 1.858 121.896 119.950 0.146 0.000 2.031 25 F HA -0.168 4.359 4.527 0.001 0.000 0.295 25 F C 1.909 177.819 175.800 0.183 0.000 1.133 25 F CA 1.476 59.569 58.000 0.154 0.000 1.188 25 F CB -0.700 38.401 39.000 0.168 0.000 0.974 25 F HN -0.134 nan 8.300 nan 0.000 0.473 26 L N 0.066 121.158 121.223 -0.218 0.000 2.127 26 L HA -0.210 4.130 4.340 0.001 0.000 0.211 26 L C 2.473 179.266 176.870 -0.127 0.000 1.089 26 L CA 1.829 56.494 54.840 -0.292 0.000 0.757 26 L CB -0.824 41.229 42.059 -0.010 0.000 0.899 26 L HN 0.249 nan 8.230 nan 0.000 0.434 27 E N 0.358 120.541 120.200 -0.028 0.000 2.072 27 E HA -0.243 4.108 4.350 0.001 0.000 0.191 27 E C 2.220 178.807 176.600 -0.022 0.000 0.985 27 E CA 1.192 57.585 56.400 -0.011 0.000 0.801 27 E CB 0.100 29.818 29.700 0.030 0.000 0.750 27 E HN 0.288 nan 8.360 nan 0.000 0.452 28 K N 0.041 120.442 120.400 0.001 0.000 2.137 28 K HA -0.072 4.248 4.320 0.001 0.000 0.202 28 K C 1.494 178.116 176.600 0.037 0.000 1.052 28 K CA 1.274 57.578 56.287 0.028 0.000 0.961 28 K CB 0.155 32.703 32.500 0.079 0.000 0.741 28 K HN 0.023 nan 8.250 nan 0.000 0.452 29 E N -1.351 118.838 120.200 -0.020 0.000 2.460 29 E HA 0.109 4.459 4.350 0.001 0.000 0.200 29 E C 0.817 177.481 176.600 0.107 0.000 1.011 29 E CA 0.311 56.733 56.400 0.036 0.000 0.912 29 E CB 1.006 30.698 29.700 -0.014 0.000 0.953 29 E HN 0.397 nan 8.360 nan 0.000 0.494 30 A N 0.041 122.865 122.820 0.007 0.000 1.917 30 A HA 0.091 4.411 4.320 0.001 0.000 0.200 30 A C 1.625 179.176 177.584 -0.054 0.000 1.671 30 A CA -0.200 51.902 52.037 0.108 0.000 1.034 30 A CB -0.291 18.788 19.000 0.131 0.000 1.057 30 A HN 0.156 nan 8.150 nan 0.000 0.507 31 L N 1.173 122.348 121.223 -0.080 0.000 2.043 31 L HA -0.049 4.291 4.340 0.001 0.000 0.212 31 L C -1.051 175.687 176.870 -0.221 0.000 1.075 31 L CA 2.586 57.352 54.840 -0.122 0.000 0.752 31 L CB -1.132 40.873 42.059 -0.089 0.000 0.891 31 L HN 0.182 nan 8.230 nan 0.000 0.432 32 P HA -0.121 nan 4.420 nan 0.000 0.223 32 P C 0.575 177.350 177.300 -0.875 0.000 1.144 32 P CA 1.514 64.277 63.100 -0.562 0.000 0.783 32 P CB -0.084 31.234 31.700 -0.637 0.000 0.771 33 H N -3.366 115.376 119.070 -0.546 0.000 3.241 33 H HA 0.197 4.753 4.556 0.001 0.000 0.260 33 H C 1.658 176.374 175.328 -1.021 0.000 1.084 33 H CA -0.383 55.094 56.048 -0.952 0.000 1.203 33 H CB -0.125 28.642 29.762 -1.658 0.000 1.524 33 H HN 0.021 nan 8.280 nan 0.000 0.521 34 I N 2.354 122.620 120.570 -0.508 0.000 2.236 34 I HA -0.276 3.894 4.170 0.001 0.000 0.249 34 I C 2.641 178.784 176.117 0.043 0.000 1.102 34 I CA 1.422 62.666 61.300 -0.093 0.000 1.365 34 I CB -0.297 37.707 38.000 0.007 0.000 1.051 34 I HN 0.045 nan 8.210 nan 0.000 0.420 35 R N 0.124 120.603 120.500 -0.036 0.000 2.073 35 R HA -0.176 4.165 4.340 0.001 0.000 0.234 35 R C 1.869 178.234 176.300 0.109 0.000 1.134 35 R CA 1.995 58.118 56.100 0.038 0.000 0.952 35 R CB -0.277 29.997 30.300 -0.043 0.000 0.850 35 R HN 0.420 nan 8.270 nan 0.000 0.433 36 D N -0.729 119.674 120.400 0.006 0.000 2.149 36 D HA -0.170 4.471 4.640 0.001 0.000 0.201 36 D C 1.769 178.222 176.300 0.255 0.000 0.972 36 D CA 0.800 54.850 54.000 0.083 0.000 0.835 36 D CB -0.289 40.517 40.800 0.012 0.000 0.966 36 D HN 0.319 nan 8.370 nan 0.000 0.476 37 W N 0.463 121.856 121.300 0.154 0.000 2.355 37 W HA -0.098 4.563 4.660 0.001 0.000 0.309 37 W C 2.315 178.933 176.519 0.166 0.000 1.206 37 W CA -0.256 57.168 57.345 0.131 0.000 1.284 37 W CB -1.562 27.964 29.460 0.110 0.000 1.145 37 W HN 0.157 nan 8.180 nan 0.000 0.502 38 W N 1.221 122.690 121.300 0.281 0.000 2.402 38 W HA -0.137 4.523 4.660 0.001 0.000 0.286 38 W C 2.335 178.937 176.519 0.139 0.000 1.221 38 W CA 2.162 59.618 57.345 0.184 0.000 1.257 38 W CB -0.295 29.240 29.460 0.125 0.000 1.120 38 W HN -0.066 nan 8.180 nan 0.000 0.551 39 E N 0.058 120.499 120.200 0.400 0.000 2.017 39 E HA -0.264 4.086 4.350 0.001 0.000 0.193 39 E C 2.020 178.671 176.600 0.085 0.000 0.997 39 E CA 1.805 58.356 56.400 0.252 0.000 0.804 39 E CB -0.336 29.500 29.700 0.226 0.000 0.757 39 E HN 0.416 nan 8.360 nan 0.000 0.448 40 E N -0.140 120.131 120.200 0.118 0.000 2.511 40 E HA 0.003 4.353 4.350 0.001 0.000 0.196 40 E C 0.638 177.255 176.600 0.028 0.000 1.066 40 E CA 0.564 57.009 56.400 0.074 0.000 0.871 40 E CB 0.069 29.834 29.700 0.108 0.000 0.863 40 E HN 0.313 nan 8.360 nan 0.000 0.520 41 G N 1.240 110.027 108.800 -0.022 0.000 2.350 41 G HA2 -0.263 3.697 3.960 0.001 0.000 0.298 41 G HA3 -0.263 3.697 3.960 0.001 0.000 0.298 41 G C -0.266 174.641 174.900 0.012 0.000 1.037 41 G CA 0.573 45.621 45.100 -0.086 0.000 1.074 41 G HN 0.372 nan 8.290 nan 0.000 0.511 42 V N 0.172 120.128 119.914 0.071 0.000 2.823 42 V HA 0.850 4.970 4.120 0.001 0.000 0.312 42 V C -0.445 175.678 176.094 0.049 0.000 1.072 42 V CA -1.540 60.795 62.300 0.059 0.000 0.937 42 V CB 1.964 33.797 31.823 0.016 0.000 1.013 42 V HN 0.692 nan 8.190 nan 0.000 0.430 43 F N 8.299 128.205 119.950 -0.074 0.000 2.415 43 F HA 0.696 5.223 4.527 0.001 0.000 0.348 43 F C -1.861 173.763 175.800 -0.293 0.000 1.119 43 F CA -2.387 55.546 58.000 -0.112 0.000 1.069 43 F CB 1.872 40.863 39.000 -0.016 0.000 1.124 43 F HN 0.400 nan 8.300 nan 0.000 0.472 44 P HA 0.025 nan 4.420 nan 0.000 0.256 44 P C 0.769 177.594 177.300 -0.793 0.000 1.688 44 P CA 0.131 62.554 63.100 -1.127 0.000 1.162 44 P CB -0.038 30.588 31.700 -1.790 0.000 1.870 45 T N 0.003 114.395 114.554 -0.271 0.000 2.737 45 T HA -0.276 4.074 4.350 0.001 0.000 0.269 45 T C 1.632 176.201 174.700 -0.217 0.000 1.040 45 T CA 1.846 63.882 62.100 -0.107 0.000 1.142 45 T CB -1.550 67.329 68.868 0.019 0.000 0.861 45 T HN 0.523 nan 8.240 nan 0.000 0.456 46 H N 0.182 119.085 119.070 -0.279 0.000 2.518 46 H HA 0.130 4.687 4.556 0.001 0.000 0.292 46 H C 1.861 177.023 175.328 -0.276 0.000 1.068 46 H CA 0.651 56.566 56.048 -0.221 0.000 1.275 46 H CB -0.419 29.232 29.762 -0.185 0.000 1.375 46 H HN 0.252 nan 8.280 nan 0.000 0.563 47 L N 0.504 121.108 121.223 -1.033 0.000 2.418 47 L HA 0.103 4.444 4.340 0.001 0.000 0.218 47 L C 2.036 178.272 176.870 -1.056 0.000 1.125 47 L CA 0.644 54.860 54.840 -1.040 0.000 0.835 47 L CB -0.414 40.928 42.059 -1.195 0.000 0.953 47 L HN 0.446 nan 8.230 nan 0.000 0.454 48 I N 0.324 120.463 120.570 -0.719 0.000 2.163 48 I HA -0.237 3.934 4.170 0.001 0.000 0.243 48 I C -0.379 175.629 176.117 -0.181 0.000 1.085 48 I CA 1.319 62.355 61.300 -0.439 0.000 1.347 48 I CB -1.301 36.554 38.000 -0.241 0.000 1.044 48 I HN 0.213 nan 8.210 nan 0.000 0.408 49 P HA -0.101 nan 4.420 nan 0.000 0.221 49 P C 1.423 178.651 177.300 -0.120 0.000 1.150 49 P CA 1.046 64.099 63.100 -0.078 0.000 0.800 49 P CB -0.022 31.642 31.700 -0.060 0.000 0.787 50 R N -1.358 119.014 120.500 -0.214 0.000 2.073 50 R HA 0.002 4.342 4.340 0.001 0.000 0.229 50 R C 2.099 178.211 176.300 -0.314 0.000 1.120 50 R CA 1.148 57.089 56.100 -0.265 0.000 0.967 50 R CB -1.485 28.721 30.300 -0.157 0.000 0.862 50 R HN 0.242 nan 8.270 nan 0.000 0.436 51 F N 1.152 120.975 119.950 -0.211 0.000 2.134 51 F HA -0.081 4.447 4.527 0.001 0.000 0.299 51 F C 2.577 178.232 175.800 -0.242 0.000 1.097 51 F CA 0.588 58.435 58.000 -0.255 0.000 1.264 51 F CB -1.409 37.726 39.000 0.225 0.000 1.001 51 F HN 0.046 nan 8.300 nan 0.000 0.479 52 A N -0.135 122.756 122.820 0.118 0.000 1.883 52 A HA -0.257 4.063 4.320 0.001 0.000 0.217 52 A C 2.182 179.739 177.584 -0.044 0.000 1.186 52 A CA 2.009 54.089 52.037 0.071 0.000 0.624 52 A CB -1.005 18.041 19.000 0.076 0.000 0.822 52 A HN 0.384 nan 8.150 nan 0.000 0.444 53 E N -0.812 119.313 120.200 -0.125 0.000 2.085 53 E HA -0.169 4.181 4.350 0.001 0.000 0.194 53 E C 1.600 178.072 176.600 -0.213 0.000 0.994 53 E CA 1.278 57.583 56.400 -0.158 0.000 0.801 53 E CB -0.190 29.394 29.700 -0.194 0.000 0.743 53 E HN 0.513 nan 8.360 nan 0.000 0.453 54 L N -1.057 119.932 121.223 -0.390 0.000 2.478 54 L HA 0.142 4.483 4.340 0.001 0.000 0.223 54 L C 1.369 178.126 176.870 -0.189 0.000 1.140 54 L CA 0.977 55.548 54.840 -0.449 0.000 0.842 54 L CB 0.108 41.546 42.059 -1.036 0.000 0.953 54 L HN 0.275 nan 8.230 nan 0.000 0.452 55 G N -1.937 106.814 108.800 -0.081 0.000 2.149 55 G HA2 -0.293 3.668 3.960 0.001 0.000 0.235 55 G HA3 -0.293 3.668 3.960 0.001 0.000 0.235 55 G C 0.685 175.762 174.900 0.294 0.000 1.018 55 G CA 0.084 45.239 45.100 0.091 0.000 0.728 55 G HN 0.142 nan 8.290 nan 0.000 0.508 56 F N -0.520 119.482 119.950 0.085 0.000 2.367 56 F HA 0.313 4.840 4.527 0.001 0.000 0.298 56 F C 1.577 177.439 175.800 0.103 0.000 1.094 56 F CA -0.362 57.694 58.000 0.093 0.000 1.409 56 F CB -0.250 38.789 39.000 0.065 0.000 1.064 56 F HN 0.115 nan 8.300 nan 0.000 0.528 57 L N 0.276 121.687 121.223 0.314 0.000 2.342 57 L HA 0.380 4.721 4.340 0.001 0.000 0.285 57 L C 1.105 178.021 176.870 0.076 0.000 1.095 57 L CA -0.359 54.603 54.840 0.204 0.000 0.843 57 L CB -0.149 42.049 42.059 0.232 0.000 1.201 57 L HN 0.370 nan 8.230 nan 0.000 0.445 58 G N 4.745 113.532 108.800 -0.021 0.000 2.314 58 G HA2 -0.218 3.742 3.960 0.001 0.000 0.292 58 G HA3 -0.218 3.742 3.960 0.001 0.000 0.292 58 G C -1.012 173.811 174.900 -0.129 0.000 1.059 58 G CA 0.085 45.110 45.100 -0.125 0.000 0.982 58 G HN 0.557 nan 8.290 nan 0.000 0.505 59 P HA -0.214 nan 4.420 nan 0.000 0.216 59 P C 1.975 179.218 177.300 -0.096 0.000 1.153 59 P CA 2.353 65.419 63.100 -0.057 0.000 0.858 59 P CB -0.250 31.457 31.700 0.012 0.000 0.789 60 T N -3.354 111.089 114.554 -0.185 0.000 3.067 60 T HA 0.080 4.431 4.350 0.001 0.000 0.261 60 T C 1.175 175.772 174.700 -0.171 0.000 1.110 60 T CA -0.074 61.936 62.100 -0.151 0.000 1.113 60 T CB -0.843 67.923 68.868 -0.170 0.000 0.917 60 T HN -0.056 nan 8.240 nan 0.000 0.499 61 L N 1.899 122.981 121.223 -0.234 0.000 2.483 61 L HA 0.270 4.610 4.340 0.001 0.000 0.275 61 L C -2.228 174.546 176.870 -0.161 0.000 1.220 61 L CA -2.058 52.584 54.840 -0.330 0.000 0.833 61 L CB -0.107 41.718 42.059 -0.390 0.000 1.102 61 L HN 0.013 nan 8.230 nan 0.000 0.490 62 P HA 0.060 nan 4.420 nan 0.000 0.267 62 P C -2.068 175.236 177.300 0.006 0.000 1.205 62 P CA -0.975 62.134 63.100 0.016 0.000 0.765 62 P CB 0.273 32.062 31.700 0.148 0.000 0.828 63 P HA -0.223 nan 4.420 nan 0.000 0.218 63 P C 1.007 178.252 177.300 -0.092 0.000 1.146 63 P CA 1.510 64.584 63.100 -0.042 0.000 0.813 63 P CB -0.228 31.448 31.700 -0.040 0.000 0.778 64 E N -1.739 118.345 120.200 -0.193 0.000 2.171 64 E HA -0.212 4.138 4.350 0.001 0.000 0.197 64 E C 0.913 177.246 176.600 -0.446 0.000 0.997 64 E CA 1.146 57.316 56.400 -0.383 0.000 0.810 64 E CB -0.642 28.670 29.700 -0.647 0.000 0.738 64 E HN 0.443 nan 8.360 nan 0.000 0.467 65 Y N -0.527 119.766 120.300 -0.012 0.000 2.468 65 Y HA 0.285 4.836 4.550 0.001 0.000 0.268 65 Y C 1.563 177.451 175.900 -0.020 0.000 1.177 65 Y CA 0.240 58.334 58.100 -0.010 0.000 1.265 65 Y CB 0.895 39.346 38.460 -0.014 0.000 1.103 65 Y HN 0.132 nan 8.280 nan 0.000 0.522 66 G N -0.507 108.331 108.800 0.063 0.000 2.157 66 G HA2 -0.209 3.751 3.960 0.001 0.000 0.239 66 G HA3 -0.209 3.751 3.960 0.001 0.000 0.239 66 G C 0.676 175.596 174.900 0.033 0.000 0.982 66 G CA -0.130 44.996 45.100 0.042 0.000 0.650 66 G HN 0.722 nan 8.290 nan 0.000 0.527 67 G N -0.839 107.978 108.800 0.028 0.000 2.507 67 G HA2 0.680 4.640 3.960 0.001 0.000 0.271 67 G HA3 0.680 4.640 3.960 0.001 0.000 0.271 67 G C 1.079 175.973 174.900 -0.010 0.000 1.189 67 G CA 0.412 45.509 45.100 -0.006 0.000 0.859 67 G HN 1.253 nan 8.290 nan 0.000 0.542 68 A N 0.121 122.936 122.820 -0.009 0.000 2.167 68 A HA 0.401 4.722 4.320 0.001 0.000 0.214 68 A C 2.135 179.715 177.584 -0.008 0.000 1.151 68 A CA 1.306 53.345 52.037 0.003 0.000 0.735 68 A CB -0.625 18.392 19.000 0.028 0.000 0.802 68 A HN 2.321 nan 8.150 nan 0.000 0.467 69 G N -0.144 108.638 108.800 -0.029 0.000 2.321 69 G HA2 -0.178 3.782 3.960 0.001 0.000 0.287 69 G HA3 -0.178 3.782 3.960 0.001 0.000 0.287 69 G C 0.489 175.379 174.900 -0.017 0.000 1.018 69 G CA 0.864 45.946 45.100 -0.030 0.000 0.855 69 G HN 1.646 nan 8.290 nan 0.000 0.507 70 V N -2.481 117.425 119.914 -0.012 0.000 3.369 70 V HA 0.911 5.032 4.120 0.001 0.000 0.309 70 V C 1.131 177.221 176.094 -0.006 0.000 1.069 70 V CA 0.036 62.338 62.300 0.002 0.000 1.042 70 V CB 1.191 33.027 31.823 0.021 0.000 1.192 70 V HN 1.283 nan 8.190 nan 0.000 0.447 71 S N 0.116 115.818 115.700 0.005 0.000 2.634 71 S HA 0.221 4.692 4.470 0.001 0.000 0.261 71 S C 1.093 175.701 174.600 0.013 0.000 1.271 71 S CA 0.322 58.523 58.200 0.002 0.000 0.985 71 S CB 0.840 64.048 63.200 0.014 0.000 0.968 71 S HN 0.866 nan 8.310 nan 0.000 0.568 72 S N 0.668 116.369 115.700 0.002 0.000 2.387 72 S HA 0.033 4.503 4.470 0.001 0.000 0.226 72 S C 2.256 176.950 174.600 0.157 0.000 1.026 72 S CA 0.812 59.029 58.200 0.028 0.000 0.972 72 S CB -1.019 62.056 63.200 -0.208 0.000 0.814 72 S HN 0.860 nan 8.310 nan 0.000 0.477 73 A N 1.770 124.637 122.820 0.077 0.000 1.908 73 A HA 0.024 4.344 4.320 0.001 0.000 0.218 73 A C 2.350 179.747 177.584 -0.312 0.000 1.181 73 A CA 1.791 53.782 52.037 -0.076 0.000 0.627 73 A CB -1.115 17.922 19.000 0.062 0.000 0.818 73 A HN 0.515 nan 8.150 nan 0.000 0.445 74 A N -1.438 121.311 122.820 -0.119 0.000 1.933 74 A HA -0.117 4.204 4.320 0.001 0.000 0.218 74 A C 2.158 179.679 177.584 -0.105 0.000 1.175 74 A CA 1.787 53.762 52.037 -0.104 0.000 0.628 74 A CB -0.790 18.204 19.000 -0.011 0.000 0.814 74 A HN 0.782 nan 8.150 nan 0.000 0.444 75 Y N 0.953 121.150 120.300 -0.171 0.000 2.163 75 Y HA -0.029 4.522 4.550 0.001 0.000 0.288 75 Y C 2.416 178.152 175.900 -0.274 0.000 1.136 75 Y CA 1.218 59.234 58.100 -0.140 0.000 1.147 75 Y CB -1.066 37.377 38.460 -0.027 0.000 0.987 75 Y HN 0.190 nan 8.280 nan 0.000 0.509 76 G N 0.622 109.054 108.800 -0.614 0.000 2.442 76 G HA2 -0.246 3.715 3.960 0.001 0.000 0.219 76 G HA3 -0.246 3.715 3.960 0.001 0.000 0.219 76 G C 1.762 176.006 174.900 -1.095 0.000 1.141 76 G CA 1.234 45.443 45.100 -1.484 0.000 0.763 76 G HN 0.476 nan 8.290 nan 0.000 0.554 77 L N 0.346 121.043 121.223 -0.876 0.000 2.156 77 L HA 0.025 4.366 4.340 0.001 0.000 0.208 77 L C 2.779 179.539 176.870 -0.184 0.000 1.095 77 L CA 0.937 55.519 54.840 -0.429 0.000 0.770 77 L CB -0.353 41.509 42.059 -0.328 0.000 0.914 77 L HN 0.452 nan 8.230 nan 0.000 0.439 78 I N -3.318 117.097 120.570 -0.258 0.000 2.353 78 I HA -0.183 3.988 4.170 0.001 0.000 0.248 78 I C 2.522 178.451 176.117 -0.313 0.000 1.119 78 I CA 1.200 62.285 61.300 -0.357 0.000 1.417 78 I CB -0.792 36.846 38.000 -0.603 0.000 1.078 78 I HN 0.066 nan 8.210 nan 0.000 0.421 79 C N 0.533 119.664 119.300 -0.282 0.000 2.413 79 C HA -0.198 4.263 4.460 0.001 0.000 0.276 79 C C 2.711 177.675 174.990 -0.043 0.000 1.248 79 C CA 1.344 60.242 59.018 -0.200 0.000 1.742 79 C CB -1.408 26.159 27.740 -0.288 0.000 2.017 79 C HN 0.692 nan 8.230 nan 0.000 0.481 80 Y N 2.017 122.262 120.300 -0.091 0.000 2.053 80 Y HA -0.238 4.312 4.550 0.001 0.000 0.277 80 Y C 2.533 178.441 175.900 0.014 0.000 1.159 80 Y CA 2.127 60.246 58.100 0.032 0.000 1.125 80 Y CB -0.300 38.234 38.460 0.124 0.000 0.969 80 Y HN 0.289 nan 8.280 nan 0.000 0.492 81 E N 0.264 120.584 120.200 0.199 0.000 2.106 81 E HA -0.178 4.172 4.350 0.001 0.000 0.192 81 E C 2.370 178.984 176.600 0.023 0.000 0.984 81 E CA 1.226 57.696 56.400 0.117 0.000 0.806 81 E CB -0.513 29.274 29.700 0.146 0.000 0.750 81 E HN 0.557 nan 8.360 nan 0.000 0.458 82 L N 0.482 121.688 121.223 -0.028 0.000 1.994 82 L HA -0.201 4.139 4.340 0.001 0.000 0.208 82 L C 2.571 179.465 176.870 0.039 0.000 1.071 82 L CA 1.427 56.264 54.840 -0.006 0.000 0.745 82 L CB -0.254 41.753 42.059 -0.087 0.000 0.892 82 L HN 0.089 nan 8.230 nan 0.000 0.431 83 E N 0.066 120.269 120.200 0.006 0.000 2.204 83 E HA -0.252 4.098 4.350 0.001 0.000 0.194 83 E C 2.229 178.839 176.600 0.016 0.000 0.989 83 E CA 0.720 57.139 56.400 0.032 0.000 0.824 83 E CB 0.025 29.718 29.700 -0.012 0.000 0.756 83 E HN 0.183 nan 8.360 nan 0.000 0.477 84 R N -0.460 119.985 120.500 -0.092 0.000 2.193 84 R HA -0.111 4.230 4.340 0.001 0.000 0.229 84 R C 1.514 177.819 176.300 0.009 0.000 1.110 84 R CA 1.264 57.285 56.100 -0.132 0.000 0.988 84 R CB 0.109 30.307 30.300 -0.171 0.000 0.871 84 R HN 0.126 nan 8.270 nan 0.000 0.458 85 V N -0.526 119.422 119.914 0.057 0.000 2.403 85 V HA 0.062 4.182 4.120 0.001 0.000 0.239 85 V C 0.646 176.781 176.094 0.068 0.000 1.041 85 V CA 1.234 63.558 62.300 0.041 0.000 1.051 85 V CB 0.048 31.903 31.823 0.053 0.000 0.704 85 V HN 0.366 nan 8.190 nan 0.000 0.472 86 D N -1.806 118.673 120.400 0.131 0.000 2.787 86 D HA 0.121 4.762 4.640 0.001 0.000 0.215 86 D C 0.347 176.766 176.300 0.199 0.000 1.246 86 D CA 0.063 54.132 54.000 0.116 0.000 0.798 86 D CB 2.171 43.053 40.800 0.136 0.000 1.649 86 D HN -0.004 nan 8.370 nan 0.000 0.507 87 S N 1.452 117.274 115.700 0.203 0.000 2.400 87 S HA -0.117 4.354 4.470 0.001 0.000 0.232 87 S C 1.833 176.611 174.600 0.297 0.000 1.025 87 S CA 1.422 59.757 58.200 0.226 0.000 0.993 87 S CB -0.053 63.265 63.200 0.197 0.000 0.808 87 S HN 0.661 nan 8.310 nan 0.000 0.478 88 G N 1.597 110.606 108.800 0.349 0.000 2.422 88 G HA2 -0.111 3.850 3.960 0.001 0.000 0.218 88 G HA3 -0.111 3.850 3.960 0.001 0.000 0.218 88 G C 1.275 176.512 174.900 0.561 0.000 1.146 88 G CA 0.511 45.879 45.100 0.446 0.000 0.769 88 G HN 0.467 nan 8.290 nan 0.000 0.547 89 L N -0.368 121.151 121.223 0.493 0.000 2.156 89 L HA 0.064 4.405 4.340 0.001 0.000 0.208 89 L C 2.931 180.044 176.870 0.405 0.000 1.095 89 L CA 0.576 55.744 54.840 0.547 0.000 0.770 89 L CB -0.373 41.935 42.059 0.414 0.000 0.914 89 L HN 0.103 nan 8.230 nan 0.000 0.439 90 R N 0.318 120.983 120.500 0.276 0.000 2.090 90 R HA -0.075 4.266 4.340 0.001 0.000 0.228 90 R C 2.269 178.702 176.300 0.221 0.000 1.110 90 R CA 1.450 57.654 56.100 0.173 0.000 0.973 90 R CB -0.236 30.138 30.300 0.123 0.000 0.869 90 R HN 0.237 nan 8.270 nan 0.000 0.440 91 S N 0.856 116.730 115.700 0.290 0.000 2.359 91 S HA -0.177 4.294 4.470 0.001 0.000 0.224 91 S C 1.580 176.297 174.600 0.194 0.000 1.035 91 S CA 1.562 59.911 58.200 0.249 0.000 1.018 91 S CB -0.506 62.887 63.200 0.321 0.000 0.876 91 S HN 0.415 nan 8.310 nan 0.000 0.448 92 F N 2.377 122.430 119.950 0.172 0.000 2.095 92 F HA -0.162 4.366 4.527 0.001 0.000 0.298 92 F C 2.117 178.015 175.800 0.164 0.000 1.104 92 F CA 1.214 59.288 58.000 0.124 0.000 1.232 92 F CB -0.407 38.734 39.000 0.235 0.000 0.987 92 F HN -0.026 nan 8.300 nan 0.000 0.475 93 V N -0.615 119.486 119.914 0.310 0.000 2.515 93 V HA -0.250 3.871 4.120 0.001 0.000 0.250 93 V C 2.354 178.516 176.094 0.113 0.000 1.058 93 V CA 1.905 64.328 62.300 0.204 0.000 1.064 93 V CB -0.826 31.108 31.823 0.184 0.000 0.675 93 V HN 0.347 nan 8.190 nan 0.000 0.461 94 S N 0.017 115.774 115.700 0.096 0.000 2.355 94 S HA -0.143 4.327 4.470 0.001 0.000 0.222 94 S C 2.053 176.631 174.600 -0.036 0.000 1.031 94 S CA 1.413 59.662 58.200 0.082 0.000 0.993 94 S CB -0.196 63.017 63.200 0.022 0.000 0.859 94 S HN 0.384 nan 8.310 nan 0.000 0.453 95 V N 1.867 121.714 119.914 -0.113 0.000 2.233 95 V HA -0.241 3.880 4.120 0.001 0.000 0.247 95 V C 2.631 178.636 176.094 -0.149 0.000 1.050 95 V CA 2.170 64.374 62.300 -0.160 0.000 1.010 95 V CB -0.809 30.905 31.823 -0.182 0.000 0.637 95 V HN 0.390 nan 8.190 nan 0.000 0.444 96 Q N 0.119 119.770 119.800 -0.248 0.000 2.096 96 Q HA -0.168 4.172 4.340 0.001 0.000 0.204 96 Q C 2.252 178.214 176.000 -0.064 0.000 0.982 96 Q CA 2.425 58.114 55.803 -0.190 0.000 0.850 96 Q CB -0.213 28.358 28.738 -0.278 0.000 0.901 96 Q HN 0.670 nan 8.270 nan 0.000 0.422 97 S N -1.132 114.540 115.700 -0.048 0.000 2.387 97 S HA 0.055 4.526 4.470 0.001 0.000 0.221 97 S C 1.780 176.348 174.600 -0.053 0.000 1.041 97 S CA 0.883 59.039 58.200 -0.073 0.000 0.959 97 S CB 0.107 63.213 63.200 -0.156 0.000 0.843 97 S HN 0.282 nan 8.310 nan 0.000 0.488 98 S N 0.662 116.348 115.700 -0.023 0.000 2.511 98 S HA 0.377 4.848 4.470 0.001 0.000 0.214 98 S C 1.174 175.762 174.600 -0.020 0.000 0.997 98 S CA 0.008 58.194 58.200 -0.023 0.000 0.908 98 S CB 0.175 63.360 63.200 -0.025 0.000 0.803 98 S HN 0.281 nan 8.310 nan 0.000 0.504 99 L N 0.063 121.252 121.223 -0.056 0.000 2.731 99 L HA 0.326 4.667 4.340 0.001 0.000 0.240 99 L C 1.008 178.035 176.870 0.261 0.000 1.120 99 L CA 0.120 54.899 54.840 -0.102 0.000 0.913 99 L CB 0.444 42.193 42.059 -0.517 0.000 1.213 99 L HN 0.142 nan 8.230 nan 0.000 0.515 100 V N -1.476 118.531 119.914 0.155 0.000 3.449 100 V HA 0.043 4.163 4.120 0.001 0.000 0.208 100 V C 1.999 178.150 176.094 0.095 0.000 1.269 100 V CA 0.229 62.608 62.300 0.132 0.000 1.301 100 V CB 0.210 32.062 31.823 0.047 0.000 1.306 100 V HN 0.098 nan 8.190 nan 0.000 0.531 101 M N -0.365 119.270 119.600 0.057 0.000 2.088 101 M HA -0.270 4.210 4.480 0.001 0.000 0.256 101 M C 2.252 178.587 176.300 0.058 0.000 1.071 101 M CA 2.758 58.078 55.300 0.033 0.000 1.097 101 M CB -0.563 32.031 32.600 -0.010 0.000 1.315 101 M HN 0.557 nan 8.290 nan 0.000 0.406 102 Y N 1.572 121.867 120.300 -0.008 0.000 2.070 102 Y HA -0.189 4.361 4.550 0.001 0.000 0.280 102 Y C -0.715 175.214 175.900 0.048 0.000 1.148 102 Y CA 2.197 60.307 58.100 0.017 0.000 1.125 102 Y CB -1.804 36.655 38.460 -0.001 0.000 0.975 102 Y HN 0.133 nan 8.280 nan 0.000 0.492 103 P HA -0.214 nan 4.420 nan 0.000 0.216 103 P C 1.789 179.045 177.300 -0.073 0.000 1.150 103 P CA 2.104 65.240 63.100 0.060 0.000 0.837 103 P CB -0.214 31.780 31.700 0.491 0.000 0.786 104 I N -1.753 118.789 120.570 -0.047 0.000 2.226 104 I HA -0.261 3.909 4.170 0.001 0.000 0.245 104 I C 2.763 178.799 176.117 -0.135 0.000 1.100 104 I CA 1.491 62.753 61.300 -0.063 0.000 1.374 104 I CB -0.680 37.310 38.000 -0.016 0.000 1.057 104 I HN -0.110 nan 8.210 nan 0.000 0.413 105 Y N 1.485 121.584 120.300 -0.335 0.000 2.163 105 Y HA -0.174 4.377 4.550 0.001 0.000 0.288 105 Y C 2.444 178.046 175.900 -0.496 0.000 1.136 105 Y CA 1.402 59.246 58.100 -0.426 0.000 1.147 105 Y CB -0.348 37.875 38.460 -0.395 0.000 0.987 105 Y HN 0.087 nan 8.280 nan 0.000 0.509 106 A N -1.274 121.049 122.820 -0.828 0.000 1.930 106 A HA -0.072 4.248 4.320 0.001 0.000 0.215 106 A C 0.970 177.984 177.584 -0.951 0.000 1.176 106 A CA 1.508 52.854 52.037 -1.151 0.000 0.632 106 A CB -0.758 17.147 19.000 -1.824 0.000 0.819 106 A HN 0.588 nan 8.150 nan 0.000 0.445 107 Y N -0.992 119.147 120.300 -0.269 0.000 2.675 107 Y HA 0.417 4.968 4.550 0.001 0.000 0.248 107 Y C 1.214 177.011 175.900 -0.171 0.000 1.161 107 Y CA -0.865 57.127 58.100 -0.181 0.000 1.203 107 Y CB -0.316 38.081 38.460 -0.105 0.000 1.262 107 Y HN 0.218 nan 8.280 nan 0.000 0.544 108 G N 0.631 109.374 108.800 -0.095 0.000 2.504 108 G HA2 0.410 4.370 3.960 0.001 0.000 0.288 108 G HA3 0.410 4.370 3.960 0.001 0.000 0.288 108 G C 0.099 174.954 174.900 -0.075 0.000 1.182 108 G CA -0.339 44.716 45.100 -0.075 0.000 0.894 108 G HN 0.204 nan 8.290 nan 0.000 0.521 109 S N -0.411 115.263 115.700 -0.043 0.000 2.608 109 S HA 0.104 4.574 4.470 0.001 0.000 0.261 109 S C 1.154 175.736 174.600 -0.028 0.000 1.314 109 S CA 0.195 58.376 58.200 -0.033 0.000 0.992 109 S CB 1.484 64.674 63.200 -0.016 0.000 0.935 109 S HN 0.612 nan 8.310 nan 0.000 0.564 110 E N 0.329 120.518 120.200 -0.018 0.000 2.204 110 E HA -0.121 4.229 4.350 0.001 0.000 0.194 110 E C 1.862 178.469 176.600 0.011 0.000 0.989 110 E CA 1.573 57.975 56.400 0.004 0.000 0.824 110 E CB -0.274 29.435 29.700 0.016 0.000 0.756 110 E HN 0.831 nan 8.360 nan 0.000 0.477 111 E N -0.102 120.095 120.200 -0.004 0.000 2.047 111 E HA -0.228 4.123 4.350 0.001 0.000 0.191 111 E C 1.963 178.533 176.600 -0.050 0.000 0.987 111 E CA 1.071 57.455 56.400 -0.027 0.000 0.799 111 E CB -0.004 29.682 29.700 -0.023 0.000 0.752 111 E HN 0.370 nan 8.360 nan 0.000 0.449 112 Q N 0.339 120.153 119.800 0.024 0.000 2.084 112 Q HA -0.151 4.189 4.340 0.001 0.000 0.202 112 Q C 2.258 178.354 176.000 0.161 0.000 0.978 112 Q CA 1.307 57.216 55.803 0.176 0.000 0.844 112 Q CB -0.033 28.845 28.738 0.234 0.000 0.898 112 Q HN 0.134 nan 8.270 nan 0.000 0.426 113 K N 0.558 120.990 120.400 0.053 0.000 2.026 113 K HA -0.107 4.213 4.320 0.001 0.000 0.208 113 K C 2.085 178.721 176.600 0.060 0.000 1.048 113 K CA 1.097 57.380 56.287 -0.007 0.000 0.929 113 K CB 0.001 32.417 32.500 -0.140 0.000 0.713 113 K HN 0.132 nan 8.250 nan 0.000 0.439 114 R N 0.390 120.946 120.500 0.093 0.000 2.189 114 R HA -0.072 4.268 4.340 0.001 0.000 0.218 114 R C 2.128 178.425 176.300 -0.005 0.000 1.074 114 R CA 0.732 56.910 56.100 0.129 0.000 0.991 114 R CB 0.005 30.353 30.300 0.080 0.000 0.883 114 R HN 0.333 nan 8.270 nan 0.000 0.457 115 E N 0.243 120.352 120.200 -0.151 0.000 2.008 115 E HA -0.115 4.235 4.350 0.001 0.000 0.191 115 E C 1.415 177.812 176.600 -0.339 0.000 0.986 115 E CA 1.122 57.291 56.400 -0.386 0.000 0.807 115 E CB 0.070 29.279 29.700 -0.819 0.000 0.766 115 E HN 0.131 nan 8.360 nan 0.000 0.450 116 F N 0.878 120.831 119.950 0.004 0.000 2.149 116 F HA -0.012 4.516 4.527 0.001 0.000 0.294 116 F C 2.290 178.097 175.800 0.012 0.000 1.095 116 F CA 0.537 58.536 58.000 -0.001 0.000 1.276 116 F CB -0.652 38.338 39.000 -0.017 0.000 1.023 116 F HN 0.018 nan 8.300 nan 0.000 0.480 117 L N 0.031 121.365 121.223 0.185 0.000 2.043 117 L HA -0.201 4.139 4.340 0.001 0.000 0.212 117 L C -0.451 176.487 176.870 0.115 0.000 1.075 117 L CA 1.686 56.599 54.840 0.121 0.000 0.752 117 L CB -2.017 40.089 42.059 0.079 0.000 0.891 117 L HN 0.120 nan 8.230 nan 0.000 0.432 118 P HA -0.103 nan 4.420 nan 0.000 0.220 118 P C 1.389 178.730 177.300 0.068 0.000 1.152 118 P CA 1.182 64.331 63.100 0.082 0.000 0.812 118 P CB 0.117 31.855 31.700 0.063 0.000 0.792 119 K N -0.580 119.862 120.400 0.071 0.000 2.062 119 K HA -0.009 4.312 4.320 0.001 0.000 0.205 119 K C 1.987 178.642 176.600 0.092 0.000 1.051 119 K CA 1.022 57.348 56.287 0.065 0.000 0.941 119 K CB -0.671 31.864 32.500 0.058 0.000 0.719 119 K HN 0.080 nan 8.250 nan 0.000 0.440 120 L N 0.200 121.492 121.223 0.115 0.000 2.083 120 L HA -0.152 4.188 4.340 0.001 0.000 0.209 120 L C 2.372 179.313 176.870 0.118 0.000 1.083 120 L CA 1.144 56.056 54.840 0.121 0.000 0.752 120 L CB -0.428 41.695 42.059 0.106 0.000 0.899 120 L HN 0.206 nan 8.230 nan 0.000 0.433 121 A N -0.249 122.629 122.820 0.096 0.000 2.119 121 A HA -0.052 4.269 4.320 0.001 0.000 0.216 121 A C 2.065 179.706 177.584 0.094 0.000 1.152 121 A CA 0.651 52.743 52.037 0.091 0.000 0.708 121 A CB -0.255 18.784 19.000 0.065 0.000 0.805 121 A HN 0.343 nan 8.150 nan 0.000 0.460 122 R N -0.879 119.671 120.500 0.083 0.000 2.388 122 R HA 0.250 4.591 4.340 0.001 0.000 0.247 122 R C 0.906 177.258 176.300 0.087 0.000 0.931 122 R CA 0.392 56.532 56.100 0.066 0.000 1.082 122 R CB 0.004 30.328 30.300 0.040 0.000 1.135 122 R HN 0.532 nan 8.270 nan 0.000 0.525 123 G N 2.061 110.945 108.800 0.139 0.000 2.246 123 G HA2 -0.318 3.642 3.960 0.001 0.000 0.273 123 G HA3 -0.318 3.642 3.960 0.001 0.000 0.273 123 G C 0.409 175.398 174.900 0.147 0.000 1.055 123 G CA 0.681 45.895 45.100 0.189 0.000 0.851 123 G HN 0.527 nan 8.290 nan 0.000 0.500 124 E N -1.131 119.138 120.200 0.115 0.000 2.389 124 E HA 0.327 4.677 4.350 0.001 0.000 0.199 124 E C 1.154 177.774 176.600 0.034 0.000 0.978 124 E CA 0.146 56.587 56.400 0.068 0.000 0.912 124 E CB 0.135 29.855 29.700 0.034 0.000 0.907 124 E HN 0.617 nan 8.360 nan 0.000 0.494 125 M N 2.115 121.766 119.600 0.084 0.000 2.150 125 M HA 0.217 4.698 4.480 0.001 0.000 0.255 125 M C -1.558 174.907 176.300 0.275 0.000 0.963 125 M CA -0.604 54.727 55.300 0.051 0.000 1.033 125 M CB 1.712 34.276 32.600 -0.059 0.000 2.007 125 M HN -0.100 nan 8.290 nan 0.000 0.462 126 V N 3.507 123.703 119.914 0.471 0.000 2.567 126 V HA 1.024 5.144 4.120 0.001 0.000 0.289 126 V C 0.118 176.307 176.094 0.160 0.000 1.049 126 V CA 0.424 62.893 62.300 0.282 0.000 0.969 126 V CB 1.178 33.222 31.823 0.369 0.000 0.995 126 V HN 0.907 nan 8.190 nan 0.000 0.471 127 G N 3.494 112.316 108.800 0.037 0.000 2.667 127 G HA2 0.758 4.718 3.960 0.001 0.000 0.310 127 G HA3 0.758 4.718 3.960 0.001 0.000 0.310 127 G C -0.488 174.404 174.900 -0.014 0.000 1.259 127 G CA -0.239 44.864 45.100 0.005 0.000 1.019 127 G HN 1.790 nan 8.290 nan 0.000 0.496 128 C N -2.702 116.619 119.300 0.035 0.000 3.323 128 C HA 0.871 5.331 4.460 0.001 0.000 0.324 128 C C -1.338 173.782 174.990 0.218 0.000 1.428 128 C CA -1.424 57.652 59.018 0.097 0.000 1.368 128 C CB 0.982 28.778 27.740 0.094 0.000 1.731 128 C HN 0.757 nan 8.230 nan 0.000 0.455 129 F N 1.188 121.182 119.950 0.072 0.000 2.577 129 F HA 0.642 5.169 4.527 0.001 0.000 0.344 129 F C 0.228 176.139 175.800 0.185 0.000 1.145 129 F CA -0.073 58.020 58.000 0.154 0.000 0.996 129 F CB 1.268 40.364 39.000 0.159 0.000 1.248 129 F HN 1.097 nan 8.300 nan 0.000 0.447 130 G N 6.343 115.171 108.800 0.047 0.000 2.741 130 G HA2 0.421 4.382 3.960 0.001 0.000 0.336 130 G HA3 0.421 4.382 3.960 0.001 0.000 0.336 130 G C -0.357 174.584 174.900 0.068 0.000 1.022 130 G CA -0.228 44.917 45.100 0.075 0.000 1.193 130 G HN 0.718 nan 8.290 nan 0.000 0.455 131 L N 2.215 123.484 121.223 0.076 0.000 2.586 131 L HA 0.384 4.725 4.340 0.001 0.000 0.204 131 L C 1.435 178.361 176.870 0.093 0.000 1.053 131 L CA 0.880 55.755 54.840 0.059 0.000 0.856 131 L CB -0.061 41.968 42.059 -0.050 0.000 1.192 131 L HN 0.274 nan 8.230 nan 0.000 0.484 132 T N 2.281 116.921 114.554 0.142 0.000 2.940 132 T HA 0.211 4.561 4.350 0.001 0.000 0.309 132 T C -0.231 174.533 174.700 0.107 0.000 1.056 132 T CA 0.023 62.210 62.100 0.145 0.000 1.137 132 T CB 0.293 69.297 68.868 0.227 0.000 0.976 132 T HN 0.271 nan 8.240 nan 0.000 0.547 133 E N 2.690 122.941 120.200 0.086 0.000 2.378 133 E HA 0.242 4.593 4.350 0.001 0.000 0.265 133 E C -1.991 174.642 176.600 0.055 0.000 0.932 133 E CA -2.301 54.124 56.400 0.042 0.000 0.795 133 E CB 1.252 30.961 29.700 0.016 0.000 1.296 133 E HN 0.196 nan 8.360 nan 0.000 0.438 134 P HA -0.144 nan 4.420 nan 0.000 0.220 134 P C 0.193 177.523 177.300 0.050 0.000 1.144 134 P CA 1.252 64.364 63.100 0.020 0.000 0.800 134 P CB 0.204 31.888 31.700 -0.027 0.000 0.772 135 D N -1.620 118.802 120.400 0.037 0.000 2.340 135 D HA 0.250 4.890 4.640 0.001 0.000 0.220 135 D C 0.851 177.179 176.300 0.048 0.000 1.039 135 D CA 0.654 54.675 54.000 0.035 0.000 0.866 135 D CB 0.031 40.839 40.800 0.013 0.000 0.913 135 D HN 0.078 nan 8.370 nan 0.000 0.523 136 G N -0.595 108.246 108.800 0.069 0.000 2.661 136 G HA2 0.167 4.127 3.960 0.001 0.000 0.262 136 G HA3 0.167 4.127 3.960 0.001 0.000 0.262 136 G C 0.727 175.667 174.900 0.067 0.000 1.310 136 G CA -0.399 44.743 45.100 0.069 0.000 1.160 136 G HN 0.085 nan 8.290 nan 0.000 0.598 137 G N 0.384 109.238 108.800 0.090 0.000 2.679 137 G HA2 0.166 4.127 3.960 0.001 0.000 0.212 137 G HA3 0.166 4.127 3.960 0.001 0.000 0.212 137 G C 1.640 176.569 174.900 0.049 0.000 1.137 137 G CA 1.594 46.745 45.100 0.084 0.000 0.787 137 G HN 0.861 nan 8.290 nan 0.000 0.534 138 S N -0.164 115.557 115.700 0.036 0.000 2.461 138 S HA -0.004 4.466 4.470 0.001 0.000 0.228 138 S C 0.698 175.314 174.600 0.027 0.000 1.005 138 S CA 0.343 58.559 58.200 0.026 0.000 0.942 138 S CB 0.125 63.343 63.200 0.030 0.000 0.776 138 S HN 0.363 nan 8.310 nan 0.000 0.514 139 D N 1.333 121.750 120.400 0.027 0.000 2.485 139 D HA 0.237 4.878 4.640 0.001 0.000 0.256 139 D C -1.714 174.596 176.300 0.016 0.000 1.141 139 D CA -2.333 51.678 54.000 0.018 0.000 0.942 139 D CB 1.174 41.992 40.800 0.028 0.000 1.003 139 D HN 0.082 nan 8.370 nan 0.000 0.507 140 P HA -0.144 nan 4.420 nan 0.000 0.223 140 P C 1.049 178.365 177.300 0.026 0.000 1.151 140 P CA 0.550 63.657 63.100 0.011 0.000 0.787 140 P CB 0.291 31.983 31.700 -0.013 0.000 0.788 141 Y N 1.121 121.383 120.300 -0.063 0.000 2.343 141 Y HA 0.263 4.813 4.550 0.001 0.000 0.294 141 Y C 2.586 178.470 175.900 -0.027 0.000 1.122 141 Y CA 1.591 59.661 58.100 -0.051 0.000 1.173 141 Y CB -0.842 37.574 38.460 -0.073 0.000 1.077 141 Y HN -0.132 nan 8.280 nan 0.000 0.542 142 G N 0.480 109.232 108.800 -0.080 0.000 2.421 142 G HA2 -0.260 3.700 3.960 0.001 0.000 0.216 142 G HA3 -0.260 3.700 3.960 0.001 0.000 0.216 142 G C 1.190 176.005 174.900 -0.141 0.000 1.171 142 G CA 0.907 45.937 45.100 -0.117 0.000 0.775 142 G HN 0.368 nan 8.290 nan 0.000 0.543 143 N N 0.410 119.063 118.700 -0.079 0.000 2.421 143 N HA 0.093 4.833 4.740 0.001 0.000 0.201 143 N C 0.420 175.891 175.510 -0.066 0.000 1.198 143 N CA -0.004 53.014 53.050 -0.055 0.000 0.838 143 N CB 0.180 38.662 38.487 -0.009 0.000 1.011 143 N HN 0.283 nan 8.380 nan 0.000 0.463 144 M N 0.984 120.511 119.600 -0.122 0.000 2.664 144 M HA 0.108 4.589 4.480 0.001 0.000 0.332 144 M C 0.269 176.518 176.300 -0.085 0.000 1.354 144 M CA 0.025 55.271 55.300 -0.090 0.000 1.399 144 M CB 0.175 32.712 32.600 -0.104 0.000 1.224 144 M HN -0.164 nan 8.290 nan 0.000 0.479 145 K N 0.878 121.247 120.400 -0.052 0.000 2.404 145 K HA 0.118 4.439 4.320 0.001 0.000 0.194 145 K C 0.132 176.715 176.600 -0.029 0.000 1.023 145 K CA 0.194 56.454 56.287 -0.046 0.000 1.094 145 K CB 0.333 32.809 32.500 -0.039 0.000 0.841 145 K HN 0.489 nan 8.250 nan 0.000 0.523 146 T N 2.508 117.052 114.554 -0.016 0.000 2.799 146 T HA 0.134 4.484 4.350 0.001 0.000 0.296 146 T C 0.177 174.883 174.700 0.009 0.000 0.947 146 T CA -0.060 62.036 62.100 -0.006 0.000 1.141 146 T CB 0.529 69.401 68.868 0.007 0.000 0.891 146 T HN -0.018 nan 8.240 nan 0.000 0.533 147 R N 1.683 122.183 120.500 -0.000 0.000 2.598 147 R HA 0.769 5.110 4.340 0.001 0.000 0.279 147 R C -0.547 175.763 176.300 0.017 0.000 0.984 147 R CA -0.881 55.231 56.100 0.019 0.000 0.999 147 R CB 1.709 32.012 30.300 0.005 0.000 1.114 147 R HN 0.674 nan 8.270 nan 0.000 0.493 148 A N 2.934 125.802 122.820 0.080 0.000 2.411 148 A HA 0.545 4.866 4.320 0.001 0.000 0.285 148 A C -0.641 177.066 177.584 0.205 0.000 1.129 148 A CA -0.751 51.364 52.037 0.129 0.000 0.736 148 A CB 0.949 20.067 19.000 0.197 0.000 1.186 148 A HN 0.594 nan 8.150 nan 0.000 0.445 149 R N 1.381 121.915 120.500 0.057 0.000 2.494 149 R HA 0.577 4.918 4.340 0.001 0.000 0.305 149 R C 0.099 176.173 176.300 -0.378 0.000 0.959 149 R CA -0.759 55.268 56.100 -0.122 0.000 0.864 149 R CB 2.339 32.579 30.300 -0.100 0.000 1.159 149 R HN 0.852 nan 8.270 nan 0.000 0.446 154 T N -2.798 111.834 114.554 0.130 0.000 2.906 154 T HA 0.734 5.084 4.350 0.001 0.000 0.295 154 T C -1.199 173.633 174.700 0.221 0.000 1.075 154 T CA -0.664 61.582 62.100 0.243 0.000 1.005 154 T CB 1.840 70.773 68.868 0.108 0.000 1.136 154 T HN -0.061 nan 8.240 nan 0.000 0.498 155 W N 0.876 122.151 121.300 -0.042 0.000 2.656 155 W HA 0.639 5.299 4.660 0.001 0.000 0.327 155 W C -0.718 175.706 176.519 -0.158 0.000 1.041 155 W CA -1.133 56.152 57.345 -0.099 0.000 1.229 155 W CB 1.720 31.097 29.460 -0.139 0.000 1.397 155 W HN 0.667 nan 8.180 nan 0.000 0.479 156 V N 5.735 125.672 119.914 0.038 0.000 2.407 156 V HA 0.535 4.655 4.120 0.001 0.000 0.278 156 V C -0.926 175.139 176.094 -0.049 0.000 1.037 156 V CA -0.564 61.725 62.300 -0.018 0.000 0.900 156 V CB 0.643 32.447 31.823 -0.031 0.000 0.983 156 V HN 0.368 nan 8.190 nan 0.000 0.459 157 L N 6.930 128.103 121.223 -0.083 0.000 2.334 157 L HA 0.666 5.006 4.340 0.001 0.000 0.276 157 L C -0.036 176.800 176.870 -0.058 0.000 1.014 157 L CA -0.097 54.679 54.840 -0.106 0.000 0.815 157 L CB 1.863 43.811 42.059 -0.185 0.000 1.268 157 L HN 0.606 nan 8.230 nan 0.000 0.428 158 N N 1.677 120.347 118.700 -0.050 0.000 2.397 158 N HA 0.805 5.545 4.740 0.001 0.000 0.291 158 N C -0.588 174.896 175.510 -0.044 0.000 1.065 158 N CA -0.319 52.704 53.050 -0.044 0.000 0.884 158 N CB 2.705 41.169 38.487 -0.037 0.000 1.551 158 N HN 0.770 nan 8.380 nan 0.000 0.487 159 G N 0.063 108.830 108.800 -0.055 0.000 2.320 159 G HA2 0.318 4.279 3.960 0.001 0.000 0.297 159 G HA3 0.318 4.279 3.960 0.001 0.000 0.297 159 G C -1.694 173.159 174.900 -0.078 0.000 1.344 159 G CA -0.453 44.615 45.100 -0.054 0.000 0.851 159 G HN 0.314 nan 8.290 nan 0.000 0.567 160 T N 0.887 115.398 114.554 -0.073 0.000 2.900 160 T HA 0.722 5.072 4.350 0.001 0.000 0.295 160 T C -0.932 173.723 174.700 -0.075 0.000 1.044 160 T CA -0.733 61.308 62.100 -0.098 0.000 0.995 160 T CB 1.867 70.675 68.868 -0.100 0.000 1.072 160 T HN 0.441 nan 8.240 nan 0.000 0.473 161 K N 2.312 122.657 120.400 -0.093 0.000 2.378 161 K HA 0.598 4.918 4.320 0.001 0.000 0.252 161 K C -0.963 175.580 176.600 -0.094 0.000 0.931 161 K CA -0.888 55.368 56.287 -0.051 0.000 0.794 161 K CB 2.198 34.690 32.500 -0.013 0.000 1.181 161 K HN 0.375 nan 8.250 nan 0.000 0.425 162 M N 0.826 120.377 119.600 -0.081 0.000 2.578 162 M HA 0.305 4.785 4.480 0.001 0.000 0.321 162 M C -0.782 175.479 176.300 -0.065 0.000 1.182 162 M CA -0.735 54.410 55.300 -0.258 0.000 0.965 162 M CB 0.638 32.983 32.600 -0.426 0.000 1.694 162 M HN 0.650 nan 8.290 nan 0.000 0.461 163 W N 2.616 123.950 121.300 0.057 0.000 5.563 163 W HA -0.189 4.471 4.660 0.001 0.000 0.396 163 W C -0.597 175.984 176.519 0.102 0.000 1.519 163 W CA -0.368 57.027 57.345 0.083 0.000 0.953 163 W CB -1.817 27.704 29.460 0.102 0.000 2.691 163 W HN 0.271 nan 8.180 nan 0.000 1.444 164 I N 0.945 121.636 120.570 0.203 0.000 2.304 164 I HA 0.157 4.328 4.170 0.001 0.000 0.291 164 I C 1.271 177.488 176.117 0.165 0.000 1.018 164 I CA -0.545 60.867 61.300 0.187 0.000 1.260 164 I CB 0.169 38.248 38.000 0.132 0.000 1.390 164 I HN -0.134 nan 8.210 nan 0.000 0.475 165 T N 6.830 121.486 114.554 0.170 0.000 2.940 165 T HA 0.043 4.393 4.350 0.001 0.000 0.309 165 T C 1.002 175.744 174.700 0.070 0.000 1.056 165 T CA 0.234 62.407 62.100 0.123 0.000 1.137 165 T CB 0.072 69.000 68.868 0.100 0.000 0.976 165 T HN 0.603 nan 8.240 nan 0.000 0.547 166 N N 0.529 119.251 118.700 0.036 0.000 2.828 166 N HA -0.179 4.561 4.740 0.001 0.000 0.248 166 N C 1.414 176.947 175.510 0.039 0.000 1.044 166 N CA 1.157 54.216 53.050 0.016 0.000 0.851 166 N CB -1.461 37.013 38.487 -0.021 0.000 1.136 166 N HN 0.844 nan 8.380 nan 0.000 0.572 167 G N 0.122 108.959 108.800 0.062 0.000 2.513 167 G HA2 -0.308 3.652 3.960 0.001 0.000 0.219 167 G HA3 -0.308 3.652 3.960 0.001 0.000 0.219 167 G C 1.301 176.239 174.900 0.062 0.000 1.160 167 G CA 1.476 46.620 45.100 0.072 0.000 0.767 167 G HN 0.504 nan 8.290 nan 0.000 0.571 168 N N -0.432 118.292 118.700 0.039 0.000 2.336 168 N HA 0.259 4.999 4.740 0.001 0.000 0.189 168 N C 1.710 177.218 175.510 -0.003 0.000 1.113 168 N CA 0.025 53.090 53.050 0.026 0.000 0.858 168 N CB 0.368 38.870 38.487 0.025 0.000 0.970 168 N HN 0.302 nan 8.380 nan 0.000 0.471 169 L N -0.813 120.403 121.223 -0.011 0.000 2.515 169 L HA 0.407 4.747 4.340 0.001 0.000 0.223 169 L C 0.719 177.491 176.870 -0.164 0.000 1.079 169 L CA -0.243 54.571 54.840 -0.044 0.000 0.857 169 L CB -0.016 42.063 42.059 0.034 0.000 1.050 169 L HN 0.027 nan 8.230 nan 0.000 0.476 170 A N -0.546 122.208 122.820 -0.111 0.000 2.425 170 A HA 0.180 4.501 4.320 0.001 0.000 0.249 170 A C 0.250 177.690 177.584 -0.241 0.000 1.084 170 A CA 0.004 51.959 52.037 -0.138 0.000 0.781 170 A CB 0.047 19.036 19.000 -0.018 0.000 1.019 170 A HN 0.346 nan 8.150 nan 0.000 0.490 171 H N 0.657 119.726 119.070 -0.002 0.000 2.604 171 H HA 0.328 4.884 4.556 0.001 0.000 0.273 171 H C -0.315 174.950 175.328 -0.104 0.000 0.971 171 H CA 0.115 56.144 56.048 -0.032 0.000 1.249 171 H CB 0.298 30.065 29.762 0.008 0.000 1.449 171 H HN 0.396 nan 8.280 nan 0.000 0.512 172 L N 1.028 122.264 121.223 0.022 0.000 2.362 172 L HA 0.727 5.067 4.340 0.001 0.000 0.275 172 L C -0.961 175.836 176.870 -0.122 0.000 0.998 172 L CA -0.903 53.865 54.840 -0.120 0.000 0.820 172 L CB 1.471 43.420 42.059 -0.184 0.000 1.270 172 L HN 0.083 nan 8.230 nan 0.000 0.415 173 A N 4.685 127.399 122.820 -0.177 0.000 2.340 173 A HA 0.634 4.954 4.320 0.001 0.000 0.297 173 A C -1.030 176.478 177.584 -0.127 0.000 1.195 173 A CA -0.550 51.435 52.037 -0.086 0.000 0.769 173 A CB 1.013 20.010 19.000 -0.004 0.000 1.163 173 A HN 0.416 nan 8.150 nan 0.000 0.472 174 V N 4.369 124.210 119.914 -0.120 0.000 2.364 174 V HA 0.099 4.220 4.120 0.001 0.000 0.252 174 V C -0.111 175.747 176.094 -0.393 0.000 1.075 174 V CA 0.258 62.391 62.300 -0.277 0.000 1.033 174 V CB -0.579 31.135 31.823 -0.181 0.000 1.116 174 V HN 0.671 nan 8.190 nan 0.000 0.488 175 I N 4.593 124.956 120.570 -0.344 0.000 2.353 175 I HA 0.411 4.582 4.170 0.001 0.000 0.293 175 I C -0.229 175.639 176.117 -0.415 0.000 0.992 175 I CA -0.209 60.948 61.300 -0.239 0.000 1.268 175 I CB 1.267 39.254 38.000 -0.021 0.000 1.387 175 I HN 0.503 nan 8.210 nan 0.000 0.478 176 W N 6.336 127.597 121.300 -0.064 0.000 2.478 176 W HA 0.771 5.432 4.660 0.001 0.000 0.318 176 W C -0.015 176.518 176.519 0.024 0.000 1.062 176 W CA -0.304 57.011 57.345 -0.050 0.000 1.210 176 W CB 1.403 30.770 29.460 -0.154 0.000 1.325 176 W HN 0.604 nan 8.180 nan 0.000 0.496 177 A N 2.445 125.441 122.820 0.293 0.000 2.567 177 A HA 0.844 5.165 4.320 0.001 0.000 0.289 177 A C -1.228 176.486 177.584 0.217 0.000 1.177 177 A CA -1.072 51.092 52.037 0.212 0.000 0.694 177 A CB 1.807 20.910 19.000 0.172 0.000 1.292 177 A HN 0.551 nan 8.150 nan 0.000 0.425 178 K N -0.279 120.215 120.400 0.157 0.000 2.352 178 K HA 0.582 4.903 4.320 0.001 0.000 0.240 178 K C -1.438 175.267 176.600 0.175 0.000 1.017 178 K CA -0.605 55.773 56.287 0.151 0.000 0.851 178 K CB 1.691 34.230 32.500 0.065 0.000 1.261 178 K HN 0.870 nan 8.250 nan 0.000 0.451 184 V N 5.104 125.129 119.914 0.184 0.000 2.585 184 V HA 0.279 4.400 4.120 0.001 0.000 0.296 184 V C 0.338 176.512 176.094 0.134 0.000 1.035 184 V CA 0.207 62.619 62.300 0.187 0.000 1.084 184 V CB 0.111 32.048 31.823 0.189 0.000 0.953 184 V HN 0.618 nan 8.190 nan 0.000 0.483 185 L N 3.566 124.866 121.223 0.129 0.000 2.354 185 L HA 0.820 5.161 4.340 0.001 0.000 0.264 185 L C 0.450 177.154 176.870 -0.276 0.000 1.008 185 L CA -0.565 54.196 54.840 -0.132 0.000 0.819 185 L CB 2.284 44.206 42.059 -0.229 0.000 1.339 185 L HN 0.747 nan 8.230 nan 0.000 0.420 186 G N 0.381 108.749 108.800 -0.720 0.000 2.417 186 G HA2 0.587 4.548 3.960 0.001 0.000 0.320 186 G HA3 0.587 4.548 3.960 0.001 0.000 0.320 186 G C -0.919 173.216 174.900 -1.276 0.000 1.204 186 G CA -0.155 44.226 45.100 -1.199 0.000 0.923 186 G HN 0.337 nan 8.290 nan 0.000 0.466 187 F N 0.678 120.209 119.950 -0.699 0.000 2.812 187 F HA 0.691 5.219 4.527 0.001 0.000 0.156 187 F C 0.725 176.263 175.800 -0.436 0.000 1.267 187 F CA -0.303 57.407 58.000 -0.483 0.000 0.923 187 F CB 0.343 39.120 39.000 -0.371 0.000 2.108 187 F HN 0.220 nan 8.300 nan 0.000 0.583 188 L N 0.640 121.766 121.223 -0.162 0.000 5.403 188 L HA 0.032 4.373 4.340 0.001 0.000 0.269 188 L C -1.854 174.892 176.870 -0.206 0.000 1.195 188 L CA -0.471 54.211 54.840 -0.264 0.000 1.070 188 L CB -0.880 40.966 42.059 -0.354 0.000 1.596 188 L HN -0.011 nan 8.230 nan 0.000 0.504 189 V N 1.740 121.533 119.914 -0.202 0.000 2.383 189 V HA 0.410 4.531 4.120 0.001 0.000 0.275 189 V C -1.873 174.010 176.094 -0.352 0.000 1.036 189 V CA -1.539 60.618 62.300 -0.239 0.000 0.889 189 V CB 1.536 33.226 31.823 -0.222 0.000 0.985 189 V HN 0.205 nan 8.190 nan 0.000 0.459 190 P HA 0.136 nan 4.420 nan 0.000 0.271 190 P C 0.998 178.006 177.300 -0.488 0.000 1.218 190 P CA -0.072 62.876 63.100 -0.254 0.000 0.780 190 P CB 0.577 32.205 31.700 -0.120 0.000 0.901 191 T N -2.534 111.752 114.554 -0.446 0.000 3.118 191 T HA -0.076 4.275 4.350 0.001 0.000 0.260 191 T C 0.767 175.323 174.700 -0.240 0.000 1.139 191 T CA 0.779 62.500 62.100 -0.631 0.000 1.085 191 T CB -0.605 68.112 68.868 -0.252 0.000 0.934 191 T HN 0.389 nan 8.240 nan 0.000 0.518 192 D N 1.098 121.418 120.400 -0.133 0.000 2.369 192 D HA 0.022 4.663 4.640 0.001 0.000 0.211 192 D C 0.905 177.199 176.300 -0.009 0.000 1.077 192 D CA -0.088 53.900 54.000 -0.019 0.000 0.842 192 D CB -0.657 40.148 40.800 0.009 0.000 0.947 192 D HN 0.409 nan 8.370 nan 0.000 0.509 193 T N 1.519 116.039 114.554 -0.056 0.000 2.817 193 T HA 0.205 4.556 4.350 0.001 0.000 0.295 193 T C -2.134 172.593 174.700 0.044 0.000 0.958 193 T CA -1.453 60.637 62.100 -0.016 0.000 1.157 193 T CB 0.492 69.332 68.868 -0.048 0.000 0.898 193 T HN -0.074 nan 8.240 nan 0.000 0.536 194 P HA 0.068 nan 4.420 nan 0.000 0.263 194 P C 1.062 178.405 177.300 0.072 0.000 1.162 194 P CA 1.320 64.453 63.100 0.054 0.000 0.758 194 P CB -0.090 31.628 31.700 0.031 0.000 0.773 195 G N 1.486 110.329 108.800 0.072 0.000 2.175 195 G HA2 -0.261 3.700 3.960 0.001 0.000 0.244 195 G HA3 -0.261 3.700 3.960 0.001 0.000 0.244 195 G C -0.315 174.635 174.900 0.083 0.000 0.982 195 G CA -0.182 44.952 45.100 0.056 0.000 0.641 195 G HN 0.569 nan 8.290 nan 0.000 0.527 196 F N 2.547 122.480 119.950 -0.029 0.000 2.388 196 F HA 0.705 5.233 4.527 0.001 0.000 0.358 196 F C -0.080 175.703 175.800 -0.029 0.000 1.122 196 F CA -0.785 57.195 58.000 -0.033 0.000 1.056 196 F CB 1.181 40.161 39.000 -0.033 0.000 1.155 196 F HN 0.023 nan 8.300 nan 0.000 0.461 197 Q N 4.827 124.417 119.800 -0.350 0.000 2.365 197 Q HA 0.699 5.039 4.340 0.001 0.000 0.269 197 Q C -1.264 174.541 176.000 -0.325 0.000 1.061 197 Q CA -0.978 54.706 55.803 -0.199 0.000 0.816 197 Q CB 2.184 30.840 28.738 -0.137 0.000 1.325 197 Q HN 0.744 nan 8.270 nan 0.000 0.446 198 A N 2.904 125.649 122.820 -0.126 0.000 2.332 198 A HA 0.706 5.027 4.320 0.001 0.000 0.300 198 A C -0.626 176.923 177.584 -0.058 0.000 1.153 198 A CA -0.683 51.297 52.037 -0.095 0.000 0.764 198 A CB 0.939 19.962 19.000 0.037 0.000 1.174 198 A HN 0.590 nan 8.150 nan 0.000 0.467 199 R N 2.246 122.697 120.500 -0.081 0.000 2.494 199 R HA 0.383 4.723 4.340 0.001 0.000 0.305 199 R C -0.770 175.497 176.300 -0.054 0.000 0.959 199 R CA -0.609 55.454 56.100 -0.062 0.000 0.864 199 R CB 2.238 32.491 30.300 -0.078 0.000 1.159 199 R HN 0.816 nan 8.270 nan 0.000 0.446 200 E N 1.335 121.519 120.200 -0.026 0.000 2.390 200 E HA 0.108 4.459 4.350 0.001 0.000 0.261 200 E C -0.361 176.226 176.600 -0.021 0.000 1.076 200 E CA -0.254 56.141 56.400 -0.009 0.000 0.905 200 E CB 1.129 30.837 29.700 0.013 0.000 0.984 200 E HN 0.145 nan 8.360 nan 0.000 0.427 201 V N 3.427 123.342 119.914 0.002 0.000 2.465 201 V HA 0.182 4.302 4.120 0.001 0.000 0.279 201 V C 0.286 176.412 176.094 0.054 0.000 1.045 201 V CA -0.223 62.082 62.300 0.009 0.000 0.938 201 V CB 0.930 32.792 31.823 0.064 0.000 0.986 201 V HN 0.564 nan 8.190 nan 0.000 0.467 202 K N 3.495 123.921 120.400 0.044 0.000 2.316 202 K HA 0.684 5.005 4.320 0.001 0.000 0.234 202 K C -0.147 176.487 176.600 0.057 0.000 1.054 202 K CA -1.077 55.235 56.287 0.041 0.000 0.879 202 K CB 1.082 33.593 32.500 0.020 0.000 1.252 202 K HN 0.300 nan 8.250 nan 0.000 0.471 203 R N -0.147 120.374 120.500 0.035 0.000 3.878 203 R HA -0.132 4.208 4.340 0.001 0.000 0.330 203 R C -0.934 175.393 176.300 0.044 0.000 1.186 203 R CA 0.663 56.785 56.100 0.036 0.000 0.885 203 R CB -2.583 27.748 30.300 0.051 0.000 1.377 203 R HN 0.634 nan 8.270 nan 0.000 0.523 204 K N 0.316 120.736 120.400 0.032 0.000 2.379 204 K HA 0.145 4.466 4.320 0.001 0.000 0.284 204 K C 1.347 177.922 176.600 -0.043 0.000 1.044 204 K CA -0.084 56.219 56.287 0.026 0.000 0.974 204 K CB 0.387 32.905 32.500 0.030 0.000 0.962 204 K HN -0.150 nan 8.250 nan 0.000 0.474 205 M N 0.996 120.602 119.600 0.009 0.000 2.510 205 M HA 0.058 4.539 4.480 0.001 0.000 0.256 205 M C 0.405 176.788 176.300 0.137 0.000 1.132 205 M CA 0.626 55.953 55.300 0.045 0.000 1.105 205 M CB 0.224 32.879 32.600 0.093 0.000 1.375 205 M HN 0.415 nan 8.290 nan 0.000 0.477 206 S N -0.640 115.128 115.700 0.113 0.000 2.542 206 S HA 0.563 5.034 4.470 0.001 0.000 0.293 206 S C -0.098 174.608 174.600 0.176 0.000 1.089 206 S CA -0.656 57.678 58.200 0.223 0.000 0.961 206 S CB 0.796 64.078 63.200 0.137 0.000 1.062 206 S HN 0.245 nan 8.310 nan 0.000 0.483 207 L N 3.088 124.511 121.223 0.333 0.000 3.660 207 L HA -0.162 4.178 4.340 0.001 0.000 0.440 207 L C 1.155 178.106 176.870 0.135 0.000 1.262 207 L CA 0.783 55.798 54.840 0.293 0.000 0.837 207 L CB -0.846 41.339 42.059 0.210 0.000 1.689 207 L HN 0.868 nan 8.230 nan 0.000 0.890 208 R N 0.038 120.438 120.500 -0.166 0.000 2.148 208 R HA 0.174 4.514 4.340 0.001 0.000 0.223 208 R C 1.272 177.499 176.300 -0.122 0.000 1.088 208 R CA 0.960 56.798 56.100 -0.437 0.000 0.985 208 R CB 0.036 29.594 30.300 -1.236 0.000 0.880 208 R HN 0.636 nan 8.270 nan 0.000 0.451 209 A N 1.395 124.292 122.820 0.127 0.000 3.091 209 A HA 0.295 4.616 4.320 0.001 0.000 0.264 209 A C -0.342 177.526 177.584 0.474 0.000 1.673 209 A CA 0.043 52.275 52.037 0.325 0.000 1.362 209 A CB 0.067 19.348 19.000 0.468 0.000 1.137 209 A HN 0.116 nan 8.150 nan 0.000 0.617 210 S N 0.063 116.001 115.700 0.397 0.000 2.678 210 S HA 0.330 4.800 4.470 0.001 0.000 0.290 210 S C -1.142 173.576 174.600 0.198 0.000 1.047 210 S CA 0.074 58.492 58.200 0.365 0.000 0.851 210 S CB 0.694 64.084 63.200 0.317 0.000 1.058 210 S HN 1.647 nan 8.310 nan 0.000 0.451 211 V N 2.836 122.811 119.914 0.101 0.000 2.394 211 V HA 0.908 5.029 4.120 0.001 0.000 0.282 211 V C -0.488 175.667 176.094 0.101 0.000 1.031 211 V CA 0.217 62.572 62.300 0.091 0.000 0.881 211 V CB 1.046 32.906 31.823 0.062 0.000 0.982 211 V HN 0.923 nan 8.190 nan 0.000 0.451 212 T N 5.418 120.047 114.554 0.126 0.000 2.824 212 T HA 0.698 5.048 4.350 0.001 0.000 0.282 212 T C -0.208 174.554 174.700 0.103 0.000 0.993 212 T CA -0.408 61.791 62.100 0.164 0.000 0.967 212 T CB 1.532 70.560 68.868 0.266 0.000 0.960 212 T HN 0.913 nan 8.240 nan 0.000 0.441 213 S N 1.582 117.324 115.700 0.070 0.000 2.740 213 S HA 0.643 5.114 4.470 0.001 0.000 0.300 213 S C -0.937 173.622 174.600 -0.069 0.000 1.147 213 S CA -1.114 57.084 58.200 -0.004 0.000 0.871 213 S CB 2.115 65.318 63.200 0.004 0.000 1.173 213 S HN 0.817 nan 8.310 nan 0.000 0.510 214 E N 0.692 120.817 120.200 -0.125 0.000 2.212 214 E HA 0.560 4.911 4.350 0.001 0.000 0.268 214 E C -1.677 174.818 176.600 -0.174 0.000 0.902 214 E CA -0.617 55.675 56.400 -0.181 0.000 0.779 214 E CB 0.875 30.439 29.700 -0.226 0.000 1.172 214 E HN 0.504 nan 8.360 nan 0.000 0.409 215 L N 3.726 124.834 121.223 -0.192 0.000 2.313 215 L HA 0.491 4.831 4.340 0.001 0.000 0.283 215 L C -0.853 175.819 176.870 -0.331 0.000 1.013 215 L CA -1.150 53.502 54.840 -0.314 0.000 0.816 215 L CB 1.815 43.714 42.059 -0.267 0.000 1.236 215 L HN 0.351 nan 8.230 nan 0.000 0.419 216 V N 4.984 124.649 119.914 -0.416 0.000 2.350 216 V HA 0.366 4.486 4.120 0.001 0.000 0.285 216 V C -0.254 175.624 176.094 -0.359 0.000 1.014 216 V CA -0.389 61.730 62.300 -0.301 0.000 0.831 216 V CB 1.822 33.517 31.823 -0.212 0.000 1.000 216 V HN 0.453 nan 8.190 nan 0.000 0.433 217 L N 4.708 125.783 121.223 -0.248 0.000 2.276 217 L HA 0.505 4.846 4.340 0.001 0.000 0.286 217 L C 0.239 177.060 176.870 -0.083 0.000 1.024 217 L CA 0.253 55.002 54.840 -0.152 0.000 0.826 217 L CB 1.247 43.265 42.059 -0.067 0.000 1.211 217 L HN 0.617 nan 8.230 nan 0.000 0.422 218 E N 2.780 122.946 120.200 -0.056 0.000 2.121 218 E HA 0.232 4.582 4.350 0.001 0.000 0.255 218 E C -0.258 176.332 176.600 -0.016 0.000 0.906 218 E CA -0.290 56.086 56.400 -0.039 0.000 0.745 218 E CB 0.515 30.189 29.700 -0.042 0.000 1.155 218 E HN 0.484 nan 8.360 nan 0.000 0.424 219 E N 1.147 121.335 120.200 -0.020 0.000 2.586 219 E HA -0.168 4.182 4.350 0.001 0.000 0.259 219 E C -1.030 175.568 176.600 -0.004 0.000 1.107 219 E CA 0.368 56.759 56.400 -0.015 0.000 0.754 219 E CB -1.256 28.436 29.700 -0.014 0.000 1.335 219 E HN 0.298 nan 8.360 nan 0.000 0.411 220 V N 1.907 121.825 119.914 0.006 0.000 2.493 220 V HA -0.039 4.082 4.120 0.001 0.000 0.292 220 V C 1.114 177.204 176.094 -0.006 0.000 1.016 220 V CA 0.687 63.003 62.300 0.026 0.000 1.097 220 V CB 0.513 32.386 31.823 0.082 0.000 0.947 220 V HN 0.117 nan 8.190 nan 0.000 0.479 221 R N 4.518 125.019 120.500 0.003 0.000 2.234 221 R HA 0.552 4.893 4.340 0.001 0.000 0.324 221 R C -1.036 175.266 176.300 0.004 0.000 1.054 221 R CA -0.371 55.733 56.100 0.007 0.000 0.912 221 R CB 1.235 31.544 30.300 0.014 0.000 1.030 221 R HN 0.513 nan 8.270 nan 0.000 0.455 222 V N 3.503 123.427 119.914 0.018 0.000 2.524 222 V HA 0.289 4.409 4.120 0.001 0.000 0.297 222 V C -2.002 174.154 176.094 0.103 0.000 1.035 222 V CA -2.217 60.095 62.300 0.021 0.000 0.867 222 V CB 1.995 33.791 31.823 -0.045 0.000 1.004 222 V HN 0.652 nan 8.190 nan 0.000 0.426 223 P HA 0.000 nan 4.420 nan 0.000 0.269 223 P C 0.470 177.853 177.300 0.137 0.000 1.211 223 P CA 0.250 63.431 63.100 0.134 0.000 0.781 223 P CB 1.437 33.188 31.700 0.085 0.000 0.877 224 E N 1.446 121.755 120.200 0.183 0.000 2.347 224 E HA -0.134 4.216 4.350 0.001 0.000 0.196 224 E C 1.710 178.323 176.600 0.022 0.000 1.008 224 E CA 1.362 57.821 56.400 0.098 0.000 0.852 224 E CB -0.679 29.160 29.700 0.231 0.000 0.783 224 E HN 0.410 nan 8.360 nan 0.000 0.505 225 S N -0.447 115.283 115.700 0.050 0.000 2.507 225 S HA -0.066 4.405 4.470 0.001 0.000 0.235 225 S C 1.357 175.974 174.600 0.028 0.000 0.988 225 S CA 0.415 58.635 58.200 0.033 0.000 0.944 225 S CB -0.040 63.186 63.200 0.043 0.000 0.762 225 S HN 0.268 nan 8.310 nan 0.000 0.526 226 L N 1.098 122.334 121.223 0.021 0.000 2.700 226 L HA 0.486 4.826 4.340 0.001 0.000 0.234 226 L C 0.674 177.504 176.870 -0.067 0.000 1.156 226 L CA 0.045 54.893 54.840 0.013 0.000 0.946 226 L CB -0.338 41.741 42.059 0.033 0.000 1.216 226 L HN 0.299 nan 8.230 nan 0.000 0.493 227 R N -0.196 120.212 120.500 -0.154 0.000 2.474 227 R HA 0.367 4.708 4.340 0.001 0.000 0.295 227 R C -0.804 175.275 176.300 -0.368 0.000 0.980 227 R CA -0.886 54.971 56.100 -0.405 0.000 0.934 227 R CB 0.960 30.883 30.300 -0.628 0.000 1.101 227 R HN -0.131 nan 8.270 nan 0.000 0.469 228 L N 7.810 128.751 121.223 -0.470 0.000 2.485 228 L HA 0.150 4.491 4.340 0.001 0.000 0.279 228 L C -1.351 175.357 176.870 -0.269 0.000 1.124 228 L CA -1.809 52.851 54.840 -0.301 0.000 0.888 228 L CB 0.963 42.844 42.059 -0.296 0.000 1.217 228 L HN 0.673 nan 8.230 nan 0.000 0.464 229 P HA -0.231 nan 4.420 nan 0.000 0.214 229 P C 0.925 178.165 177.300 -0.100 0.000 1.163 229 P CA 1.626 64.651 63.100 -0.126 0.000 0.889 229 P CB 0.424 32.079 31.700 -0.075 0.000 0.790 230 K N -0.377 119.997 120.400 -0.043 0.000 2.418 230 K HA 0.189 4.510 4.320 0.001 0.000 0.195 230 K C 1.175 177.707 176.600 -0.113 0.000 1.035 230 K CA 0.271 56.555 56.287 -0.004 0.000 1.003 230 K CB -0.433 32.142 32.500 0.124 0.000 0.793 230 K HN 0.071 nan 8.250 nan 0.000 0.494 231 A N 1.492 124.202 122.820 -0.182 0.000 2.655 231 A HA 0.207 4.527 4.320 0.001 0.000 0.297 231 A C -0.835 176.613 177.584 -0.227 0.000 1.461 231 A CA 0.058 51.880 52.037 -0.360 0.000 1.146 231 A CB -0.434 18.460 19.000 -0.176 0.000 1.108 231 A HN 0.060 nan 8.150 nan 0.000 0.550 232 L N 2.325 123.397 121.223 -0.251 0.000 2.342 232 L HA 0.723 5.064 4.340 0.001 0.000 0.276 232 L C 0.640 177.439 176.870 -0.118 0.000 0.997 232 L CA 0.821 55.579 54.840 -0.137 0.000 0.838 232 L CB 0.725 42.720 42.059 -0.107 0.000 1.224 232 L HN 1.215 nan 8.230 nan 0.000 0.416 233 G N 2.139 110.903 108.800 -0.059 0.000 2.707 233 G HA2 -0.185 3.775 3.960 0.001 0.000 0.686 233 G HA3 -0.185 3.775 3.960 0.001 0.000 0.686 233 G C 0.599 175.437 174.900 -0.104 0.000 1.315 233 G CA -0.272 44.787 45.100 -0.068 0.000 0.832 233 G HN 0.573 nan 8.290 nan 0.000 0.573 234 L N 0.580 121.735 121.223 -0.112 0.000 2.127 234 L HA -0.098 4.242 4.340 0.001 0.000 0.211 234 L C 3.106 179.866 176.870 -0.183 0.000 1.089 234 L CA 2.676 57.431 54.840 -0.142 0.000 0.757 234 L CB -0.346 41.623 42.059 -0.149 0.000 0.899 234 L HN 0.897 nan 8.230 nan 0.000 0.434 235 K N -0.347 119.963 120.400 -0.150 0.000 2.211 235 K HA -0.178 4.142 4.320 0.001 0.000 0.204 235 K C 1.758 178.287 176.600 -0.118 0.000 1.047 235 K CA 1.400 57.619 56.287 -0.113 0.000 0.935 235 K CB -0.305 32.148 32.500 -0.079 0.000 0.728 235 K HN 0.295 nan 8.250 nan 0.000 0.452 236 A N 2.505 125.185 122.820 -0.233 0.000 1.855 236 A HA 0.033 4.353 4.320 0.001 0.000 0.213 236 A C -0.241 177.200 177.584 -0.238 0.000 1.195 236 A CA 0.429 52.284 52.037 -0.303 0.000 0.610 236 A CB -1.092 17.559 19.000 -0.581 0.000 0.837 236 A HN 0.369 nan 8.150 nan 0.000 0.444 237 P HA -0.092 nan 4.420 nan 0.000 0.221 237 P C 1.534 178.700 177.300 -0.224 0.000 1.150 237 P CA 0.776 63.297 63.100 -0.965 0.000 0.800 237 P CB -0.136 30.358 31.700 -2.010 0.000 0.787 238 L N 0.607 121.711 121.223 -0.198 0.000 2.017 238 L HA -0.145 4.196 4.340 0.001 0.000 0.208 238 L C 2.916 179.782 176.870 -0.008 0.000 1.073 238 L CA 2.218 57.011 54.840 -0.078 0.000 0.745 238 L CB -1.335 40.671 42.059 -0.089 0.000 0.894 238 L HN 0.118 nan 8.230 nan 0.000 0.432 239 S N -1.004 114.730 115.700 0.057 0.000 2.419 239 S HA -0.208 4.263 4.470 0.001 0.000 0.235 239 S C 2.036 176.631 174.600 -0.009 0.000 1.019 239 S CA 1.305 59.559 58.200 0.091 0.000 0.982 239 S CB -0.992 62.380 63.200 0.286 0.000 0.789 239 S HN 0.454 nan 8.310 nan 0.000 0.490 240 C N 1.204 120.572 119.300 0.113 0.000 2.440 240 C HA 0.215 4.676 4.460 0.001 0.000 0.278 240 C C 2.646 177.534 174.990 -0.169 0.000 1.295 240 C CA 0.296 59.318 59.018 0.007 0.000 1.738 240 C CB -1.567 26.350 27.740 0.295 0.000 1.987 240 C HN 0.596 nan 8.230 nan 0.000 0.492 241 L N 0.426 121.584 121.223 -0.109 0.000 2.093 241 L HA -0.120 4.220 4.340 0.001 0.000 0.208 241 L C 2.689 179.518 176.870 -0.068 0.000 1.085 241 L CA 1.511 56.280 54.840 -0.119 0.000 0.755 241 L CB -1.229 40.803 42.059 -0.044 0.000 0.904 241 L HN 0.332 nan 8.230 nan 0.000 0.435 242 T N -0.842 113.679 114.554 -0.054 0.000 2.720 242 T HA -0.214 4.136 4.350 0.001 0.000 0.268 242 T C 1.937 176.615 174.700 -0.036 0.000 1.037 242 T CA 1.193 63.277 62.100 -0.027 0.000 1.144 242 T CB -0.153 68.695 68.868 -0.032 0.000 0.864 242 T HN 0.317 nan 8.240 nan 0.000 0.444 243 Q N 0.821 120.528 119.800 -0.155 0.000 2.050 243 Q HA -0.032 4.308 4.340 0.001 0.000 0.202 243 Q C 2.782 178.831 176.000 0.081 0.000 0.980 243 Q CA 1.691 57.413 55.803 -0.134 0.000 0.840 243 Q CB -0.734 27.760 28.738 -0.406 0.000 0.898 243 Q HN 0.599 nan 8.270 nan 0.000 0.424 244 A N 1.325 124.141 122.820 -0.008 0.000 1.898 244 A HA -0.175 4.145 4.320 0.001 0.000 0.216 244 A C 2.136 179.751 177.584 0.052 0.000 1.181 244 A CA 1.295 53.346 52.037 0.023 0.000 0.620 244 A CB -0.444 18.483 19.000 -0.122 0.000 0.819 244 A HN 0.269 nan 8.150 nan 0.000 0.442 245 R N -1.824 118.704 120.500 0.047 0.000 2.193 245 R HA -0.078 4.262 4.340 0.001 0.000 0.229 245 R C 1.852 178.204 176.300 0.086 0.000 1.110 245 R CA 1.330 57.463 56.100 0.056 0.000 0.988 245 R CB -0.445 29.879 30.300 0.040 0.000 0.871 245 R HN 0.657 nan 8.270 nan 0.000 0.458 246 F N 0.589 120.541 119.950 0.003 0.000 2.113 246 F HA -0.010 4.517 4.527 0.001 0.000 0.297 246 F C 2.170 178.029 175.800 0.099 0.000 1.103 246 F CA 1.763 59.797 58.000 0.056 0.000 1.248 246 F CB -0.571 38.470 39.000 0.069 0.000 0.999 246 F HN -0.050 nan 8.300 nan 0.000 0.475 247 G N 0.521 109.294 108.800 -0.044 0.000 2.448 247 G HA2 -0.152 3.808 3.960 0.001 0.000 0.218 247 G HA3 -0.152 3.808 3.960 0.001 0.000 0.218 247 G C 1.771 176.591 174.900 -0.133 0.000 1.135 247 G CA 0.927 45.818 45.100 -0.348 0.000 0.784 247 G HN 0.486 nan 8.290 nan 0.000 0.543 248 I N 1.172 121.718 120.570 -0.040 0.000 2.252 248 I HA -0.123 4.047 4.170 0.001 0.000 0.245 248 I C 3.214 179.325 176.117 -0.010 0.000 1.102 248 I CA 0.830 62.143 61.300 0.022 0.000 1.385 248 I CB -0.086 37.967 38.000 0.089 0.000 1.064 248 I HN 0.234 nan 8.210 nan 0.000 0.414 249 A N 0.002 122.779 122.820 -0.072 0.000 1.978 249 A HA -0.231 4.090 4.320 0.001 0.000 0.220 249 A C 1.930 179.406 177.584 -0.180 0.000 1.170 249 A CA 1.375 53.321 52.037 -0.151 0.000 0.636 249 A CB -0.898 17.963 19.000 -0.231 0.000 0.810 249 A HN 0.536 nan 8.150 nan 0.000 0.448 250 W N -0.493 120.645 121.300 -0.270 0.000 2.441 250 W HA 0.126 4.786 4.660 0.001 0.000 0.302 250 W C 2.582 179.075 176.519 -0.044 0.000 1.191 250 W CA 1.132 58.374 57.345 -0.170 0.000 1.327 250 W CB -0.729 28.561 29.460 -0.283 0.000 1.128 250 W HN 0.331 nan 8.180 nan 0.000 0.522 251 G N 0.228 109.108 108.800 0.135 0.000 2.442 251 G HA2 -0.252 3.708 3.960 0.001 0.000 0.219 251 G HA3 -0.252 3.708 3.960 0.001 0.000 0.219 251 G C 1.636 176.501 174.900 -0.058 0.000 1.141 251 G CA 1.418 46.528 45.100 0.018 0.000 0.763 251 G HN 0.308 nan 8.290 nan 0.000 0.554 252 A N 0.815 123.617 122.820 -0.030 0.000 1.908 252 A HA -0.020 4.300 4.320 0.001 0.000 0.218 252 A C 2.143 179.666 177.584 -0.101 0.000 1.181 252 A CA 1.793 53.797 52.037 -0.055 0.000 0.627 252 A CB -0.282 18.692 19.000 -0.043 0.000 0.818 252 A HN 0.320 nan 8.150 nan 0.000 0.445 253 M N -0.030 119.513 119.600 -0.096 0.000 2.696 253 M HA 0.085 4.566 4.480 0.001 0.000 0.220 253 M C 1.567 177.735 176.300 -0.221 0.000 1.133 253 M CA 0.786 56.039 55.300 -0.078 0.000 1.016 253 M CB -1.087 31.434 32.600 -0.132 0.000 1.740 253 M HN 0.467 nan 8.290 nan 0.000 0.502 254 G N -0.504 107.964 108.800 -0.553 0.000 2.798 254 G HA2 0.242 4.203 3.960 0.001 0.000 0.200 254 G HA3 0.242 4.203 3.960 0.001 0.000 0.200 254 G C 1.448 176.069 174.900 -0.465 0.000 1.092 254 G CA 0.571 45.052 45.100 -1.033 0.000 0.800 254 G HN 0.471 nan 8.290 nan 0.000 0.566 255 A N 0.580 123.189 122.820 -0.351 0.000 1.968 255 A HA 0.255 4.575 4.320 0.001 0.000 0.217 255 A C 2.245 179.611 177.584 -0.364 0.000 1.169 255 A CA 1.030 52.779 52.037 -0.479 0.000 0.638 255 A CB -0.342 18.449 19.000 -0.349 0.000 0.812 255 A HN 0.343 nan 8.150 nan 0.000 0.446 256 L N -0.439 120.684 121.223 -0.167 0.000 2.093 256 L HA -0.167 4.174 4.340 0.001 0.000 0.208 256 L C 2.516 179.376 176.870 -0.017 0.000 1.085 256 L CA 2.064 56.880 54.840 -0.039 0.000 0.755 256 L CB -0.255 41.853 42.059 0.083 0.000 0.904 256 L HN 0.657 nan 8.230 nan 0.000 0.435 257 E N -0.065 120.119 120.200 -0.027 0.000 2.110 257 E HA -0.260 4.090 4.350 0.001 0.000 0.193 257 E C 2.036 178.618 176.600 -0.029 0.000 0.988 257 E CA 1.165 57.521 56.400 -0.073 0.000 0.804 257 E CB -0.063 29.626 29.700 -0.019 0.000 0.745 257 E HN 0.609 nan 8.360 nan 0.000 0.458 258 A N 1.052 123.792 122.820 -0.134 0.000 1.877 258 A HA -0.164 4.156 4.320 0.001 0.000 0.216 258 A C 2.477 180.016 177.584 -0.075 0.000 1.186 258 A CA 2.057 54.008 52.037 -0.143 0.000 0.620 258 A CB -1.050 17.757 19.000 -0.322 0.000 0.822 258 A HN 0.342 nan 8.150 nan 0.000 0.443 259 V N -2.865 116.983 119.914 -0.110 0.000 2.379 259 V HA -0.238 3.883 4.120 0.001 0.000 0.245 259 V C 2.367 178.481 176.094 0.033 0.000 1.044 259 V CA 2.054 64.343 62.300 -0.019 0.000 1.036 259 V CB -1.469 30.334 31.823 -0.032 0.000 0.664 259 V HN 0.574 nan 8.190 nan 0.000 0.453 260 Y N 1.995 122.245 120.300 -0.083 0.000 2.128 260 Y HA -0.217 4.334 4.550 0.001 0.000 0.284 260 Y C 2.550 178.411 175.900 -0.066 0.000 1.154 260 Y CA 2.526 60.575 58.100 -0.085 0.000 1.149 260 Y CB -0.343 38.046 38.460 -0.118 0.000 0.976 260 Y HN 0.382 nan 8.280 nan 0.000 0.505 261 E N 0.567 120.775 120.200 0.013 0.000 2.077 261 E HA -0.223 4.128 4.350 0.001 0.000 0.193 261 E C 2.199 178.747 176.600 -0.087 0.000 0.989 261 E CA 1.631 57.980 56.400 -0.085 0.000 0.800 261 E CB -0.315 29.414 29.700 0.048 0.000 0.746 261 E HN 0.717 nan 8.360 nan 0.000 0.452 262 E N -0.823 119.371 120.200 -0.010 0.000 2.150 262 E HA -0.144 4.207 4.350 0.001 0.000 0.193 262 E C 1.764 178.383 176.600 0.031 0.000 0.985 262 E CA 0.950 57.383 56.400 0.056 0.000 0.814 262 E CB -0.094 29.678 29.700 0.120 0.000 0.752 262 E HN 0.278 nan 8.360 nan 0.000 0.466 263 A N 0.844 123.627 122.820 -0.062 0.000 1.930 263 A HA -0.056 4.265 4.320 0.001 0.000 0.215 263 A C 2.385 179.917 177.584 -0.087 0.000 1.176 263 A CA 1.106 53.100 52.037 -0.072 0.000 0.632 263 A CB -0.707 18.227 19.000 -0.110 0.000 0.819 263 A HN 0.317 nan 8.150 nan 0.000 0.445 264 V N -1.643 118.115 119.914 -0.261 0.000 2.515 264 V HA -0.064 4.056 4.120 0.001 0.000 0.250 264 V C 2.390 178.419 176.094 -0.109 0.000 1.058 264 V CA 2.070 64.218 62.300 -0.253 0.000 1.064 264 V CB -1.095 30.456 31.823 -0.455 0.000 0.675 264 V HN 0.500 nan 8.190 nan 0.000 0.461 265 A N -0.178 122.606 122.820 -0.060 0.000 1.902 265 A HA -0.119 4.201 4.320 0.001 0.000 0.217 265 A C 2.097 179.724 177.584 0.071 0.000 1.181 265 A CA 2.022 54.063 52.037 0.007 0.000 0.623 265 A CB -0.942 18.081 19.000 0.038 0.000 0.818 265 A HN 0.702 nan 8.150 nan 0.000 0.443 266 F N 0.786 120.712 119.950 -0.040 0.000 2.084 266 F HA -0.036 4.492 4.527 0.001 0.000 0.296 266 F C 2.624 178.385 175.800 -0.065 0.000 1.111 266 F CA 1.261 59.241 58.000 -0.033 0.000 1.224 266 F CB -0.521 38.442 39.000 -0.061 0.000 0.991 266 F HN 0.251 nan 8.300 nan 0.000 0.471 267 A N 0.142 123.034 122.820 0.120 0.000 1.917 267 A HA -0.277 4.044 4.320 0.001 0.000 0.219 267 A C 2.164 179.700 177.584 -0.080 0.000 1.182 267 A CA 2.237 54.274 52.037 0.001 0.000 0.633 267 A CB -0.761 18.234 19.000 -0.007 0.000 0.819 267 A HN 0.493 nan 8.150 nan 0.000 0.448 268 K N 0.131 120.486 120.400 -0.074 0.000 2.288 268 K HA -0.052 4.269 4.320 0.001 0.000 0.201 268 K C 2.093 178.630 176.600 -0.105 0.000 1.048 268 K CA 1.279 57.518 56.287 -0.080 0.000 0.956 268 K CB -0.051 32.410 32.500 -0.064 0.000 0.746 268 K HN 0.658 nan 8.250 nan 0.000 0.461 269 S N -0.048 115.564 115.700 -0.146 0.000 2.503 269 S HA 0.094 4.564 4.470 0.001 0.000 0.217 269 S C 0.824 175.274 174.600 -0.250 0.000 0.999 269 S CA -0.350 57.744 58.200 -0.176 0.000 0.914 269 S CB 0.194 63.298 63.200 -0.161 0.000 0.782 269 S HN 0.047 nan 8.310 nan 0.000 0.520 270 R N 1.096 121.393 120.500 -0.338 0.000 2.902 270 R HA 0.707 5.048 4.340 0.001 0.000 0.258 270 R C -1.150 175.014 176.300 -0.227 0.000 1.071 270 R CA 0.210 56.090 56.100 -0.368 0.000 1.024 270 R CB 1.942 31.821 30.300 -0.702 0.000 1.184 270 R HN 0.328 nan 8.270 nan 0.000 0.492 271 S N -0.463 115.128 115.700 -0.182 0.000 2.586 271 S HA 0.375 4.846 4.470 0.001 0.000 0.277 271 S C -0.807 173.720 174.600 -0.121 0.000 1.131 271 S CA -0.728 57.398 58.200 -0.124 0.000 0.848 271 S CB 1.615 64.752 63.200 -0.103 0.000 1.091 271 S HN 0.542 nan 8.310 nan 0.000 0.453 272 T N 1.138 115.641 114.554 -0.084 0.000 2.124 272 T HA 0.371 4.722 4.350 0.001 0.000 0.184 272 T C 0.169 174.731 174.700 -0.231 0.000 0.688 272 T CA -0.185 61.817 62.100 -0.162 0.000 1.680 272 T CB -0.625 68.204 68.868 -0.065 0.000 3.188 272 T HN 0.564 nan 8.240 nan 0.000 0.398 273 F N 2.416 122.346 119.950 -0.032 0.000 2.587 273 F HA 0.312 4.839 4.527 0.001 0.000 0.350 273 F C 1.693 177.476 175.800 -0.029 0.000 1.230 273 F CA 0.366 58.349 58.000 -0.028 0.000 1.404 273 F CB -1.377 37.609 39.000 -0.024 0.000 1.509 273 F HN 0.713 nan 8.300 nan 0.000 0.600 274 G N -0.293 108.512 108.800 0.008 0.000 2.132 274 G HA2 -0.232 3.729 3.960 0.001 0.000 0.234 274 G HA3 -0.232 3.729 3.960 0.001 0.000 0.234 274 G C 0.284 175.190 174.900 0.010 0.000 0.989 274 G CA 0.312 45.417 45.100 0.007 0.000 0.676 274 G HN 0.518 nan 8.290 nan 0.000 0.522 275 E N -1.305 118.902 120.200 0.012 0.000 2.580 275 E HA 0.775 5.126 4.350 0.001 0.000 0.178 275 E C -3.172 173.415 176.600 -0.022 0.000 0.738 275 E CA -1.856 54.543 56.400 -0.001 0.000 0.967 275 E CB 0.935 30.642 29.700 0.012 0.000 1.942 275 E HN 0.205 nan 8.360 nan 0.000 0.376 276 P HA 0.264 nan 4.420 nan 0.000 0.296 276 P C 0.025 177.302 177.300 -0.037 0.000 1.297 276 P CA -0.683 62.388 63.100 -0.048 0.000 0.947 276 P CB 1.357 33.023 31.700 -0.056 0.000 1.366 277 L N 0.621 121.811 121.223 -0.055 0.000 2.027 277 L HA -0.082 4.258 4.340 0.001 0.000 0.206 277 L C 2.168 179.021 176.870 -0.027 0.000 1.074 277 L CA 2.091 56.913 54.840 -0.030 0.000 0.745 277 L CB -2.133 39.907 42.059 -0.032 0.000 0.898 277 L HN 0.415 nan 8.230 nan 0.000 0.433 278 A N -1.316 121.478 122.820 -0.042 0.000 2.139 278 A HA -0.263 4.057 4.320 0.001 0.000 0.221 278 A C 2.367 179.928 177.584 -0.039 0.000 1.159 278 A CA 1.827 53.836 52.037 -0.046 0.000 0.662 278 A CB -0.544 18.422 19.000 -0.057 0.000 0.796 278 A HN 0.437 nan 8.150 nan 0.000 0.463 279 K N -0.382 120.000 120.400 -0.030 0.000 2.367 279 K HA 0.036 4.356 4.320 0.001 0.000 0.194 279 K C -0.191 176.397 176.600 -0.019 0.000 1.027 279 K CA -0.035 56.237 56.287 -0.024 0.000 1.075 279 K CB 0.123 32.612 32.500 -0.019 0.000 0.845 279 K HN 0.274 nan 8.250 nan 0.000 0.529 280 K N 1.268 121.658 120.400 -0.015 0.000 2.218 280 K HA 0.051 4.372 4.320 0.001 0.000 0.276 280 K C 0.675 177.260 176.600 -0.025 0.000 1.022 280 K CA -0.093 56.186 56.287 -0.014 0.000 0.946 280 K CB 1.181 33.681 32.500 -0.001 0.000 1.000 280 K HN 0.131 nan 8.250 nan 0.000 0.468 281 Q N 1.092 120.876 119.800 -0.028 0.000 2.152 281 Q HA -0.171 4.170 4.340 0.001 0.000 0.206 281 Q C 1.790 177.766 176.000 -0.040 0.000 0.985 281 Q CA 1.542 57.324 55.803 -0.035 0.000 0.863 281 Q CB -0.147 28.571 28.738 -0.034 0.000 0.904 281 Q HN 0.505 nan 8.270 nan 0.000 0.422 282 L N 0.160 121.361 121.223 -0.036 0.000 2.291 282 L HA -0.097 4.243 4.340 0.001 0.000 0.214 282 L C 2.349 179.192 176.870 -0.043 0.000 1.120 282 L CA 0.418 55.234 54.840 -0.039 0.000 0.799 282 L CB -0.373 41.667 42.059 -0.032 0.000 0.925 282 L HN 0.184 nan 8.230 nan 0.000 0.446 283 V N -4.077 115.814 119.914 -0.037 0.000 2.500 283 V HA -0.111 4.010 4.120 0.001 0.000 0.243 283 V C 2.172 178.230 176.094 -0.059 0.000 1.039 283 V CA 0.646 62.920 62.300 -0.042 0.000 1.053 283 V CB -0.629 31.179 31.823 -0.026 0.000 0.695 283 V HN 0.351 nan 8.190 nan 0.000 0.463 284 Q N 1.004 120.771 119.800 -0.056 0.000 2.112 284 Q HA -0.223 4.117 4.340 0.001 0.000 0.206 284 Q C 2.485 178.435 176.000 -0.084 0.000 0.987 284 Q CA 2.342 58.106 55.803 -0.066 0.000 0.858 284 Q CB -0.510 28.195 28.738 -0.056 0.000 0.905 284 Q HN 0.784 nan 8.270 nan 0.000 0.420 285 A N 1.340 124.109 122.820 -0.085 0.000 1.933 285 A HA -0.212 4.108 4.320 0.001 0.000 0.218 285 A C 1.931 179.424 177.584 -0.151 0.000 1.175 285 A CA 1.549 53.520 52.037 -0.110 0.000 0.628 285 A CB -0.289 18.656 19.000 -0.092 0.000 0.814 285 A HN 0.228 nan 8.150 nan 0.000 0.444 286 K N -0.335 119.986 120.400 -0.131 0.000 2.097 286 K HA -0.000 4.320 4.320 0.001 0.000 0.205 286 K C 1.783 178.281 176.600 -0.171 0.000 1.050 286 K CA 1.283 57.476 56.287 -0.156 0.000 0.938 286 K CB -0.336 32.101 32.500 -0.105 0.000 0.718 286 K HN 0.482 nan 8.250 nan 0.000 0.442 287 L N 0.356 121.510 121.223 -0.114 0.000 2.109 287 L HA -0.087 4.254 4.340 0.001 0.000 0.207 287 L C 2.620 179.447 176.870 -0.072 0.000 1.086 287 L CA 0.855 55.668 54.840 -0.045 0.000 0.760 287 L CB -0.644 41.380 42.059 -0.059 0.000 0.910 287 L HN 0.167 nan 8.230 nan 0.000 0.437 288 A N 0.284 123.013 122.820 -0.151 0.000 1.908 288 A HA -0.267 4.054 4.320 0.001 0.000 0.218 288 A C 2.202 179.583 177.584 -0.338 0.000 1.181 288 A CA 2.033 53.944 52.037 -0.210 0.000 0.627 288 A CB -0.458 18.433 19.000 -0.181 0.000 0.818 288 A HN 0.393 nan 8.150 nan 0.000 0.445 289 E N -0.376 119.554 120.200 -0.450 0.000 2.150 289 E HA -0.096 4.254 4.350 0.001 0.000 0.193 289 E C 1.920 177.889 176.600 -1.053 0.000 0.985 289 E CA 1.425 57.318 56.400 -0.844 0.000 0.814 289 E CB -0.279 28.860 29.700 -0.934 0.000 0.752 289 E HN 0.674 nan 8.360 nan 0.000 0.466 290 M N -0.494 118.764 119.600 -0.570 0.000 2.419 290 M HA -0.003 4.477 4.480 0.001 0.000 0.264 290 M C 1.788 177.913 176.300 -0.291 0.000 1.082 290 M CA 0.396 55.536 55.300 -0.268 0.000 1.119 290 M CB 0.085 32.684 32.600 -0.001 0.000 1.398 290 M HN 0.164 nan 8.290 nan 0.000 0.453 291 L N 0.769 121.757 121.223 -0.392 0.000 2.068 291 L HA 0.129 4.469 4.340 0.001 0.000 0.204 291 L C 2.584 179.271 176.870 -0.305 0.000 1.076 291 L CA 1.773 56.319 54.840 -0.490 0.000 0.753 291 L CB -0.852 40.900 42.059 -0.511 0.000 0.910 291 L HN 0.165 nan 8.230 nan 0.000 0.439 292 A N -0.767 121.866 122.820 -0.313 0.000 1.908 292 A HA -0.223 4.098 4.320 0.001 0.000 0.218 292 A C 2.047 179.600 177.584 -0.051 0.000 1.181 292 A CA 1.917 53.831 52.037 -0.206 0.000 0.627 292 A CB -1.163 17.688 19.000 -0.247 0.000 0.818 292 A HN 0.661 nan 8.150 nan 0.000 0.445 293 W N -0.642 120.585 121.300 -0.121 0.000 2.381 293 W HA -0.095 4.565 4.660 0.001 0.000 0.301 293 W C 2.305 178.750 176.519 -0.123 0.000 1.205 293 W CA 0.949 58.225 57.345 -0.115 0.000 1.285 293 W CB -1.459 27.935 29.460 -0.111 0.000 1.133 293 W HN 0.636 nan 8.180 nan 0.000 0.521 294 H N 0.122 119.203 119.070 0.018 0.000 2.353 294 H HA -0.145 4.411 4.556 0.001 0.000 0.298 294 H C 1.668 176.943 175.328 -0.089 0.000 1.103 294 H CA 2.600 58.611 56.048 -0.063 0.000 1.293 294 H CB -0.152 29.510 29.762 -0.166 0.000 1.372 294 H HN -0.026 nan 8.280 nan 0.000 0.501 295 T N 0.659 115.181 114.554 -0.054 0.000 2.777 295 T HA -0.113 4.238 4.350 0.001 0.000 0.266 295 T C 1.867 176.434 174.700 -0.222 0.000 1.040 295 T CA 1.458 63.447 62.100 -0.185 0.000 1.141 295 T CB -0.116 68.547 68.868 -0.342 0.000 0.868 295 T HN 0.496 nan 8.240 nan 0.000 0.444 296 E N 0.527 120.641 120.200 -0.143 0.000 2.077 296 E HA -0.059 4.292 4.350 0.001 0.000 0.193 296 E C 2.568 179.093 176.600 -0.127 0.000 0.989 296 E CA 0.918 57.260 56.400 -0.096 0.000 0.800 296 E CB -0.388 29.307 29.700 -0.007 0.000 0.746 296 E HN 0.525 nan 8.360 nan 0.000 0.452 297 G N 1.295 109.998 108.800 -0.161 0.000 2.421 297 G HA2 -0.242 3.719 3.960 0.001 0.000 0.216 297 G HA3 -0.242 3.719 3.960 0.001 0.000 0.216 297 G C 1.573 176.266 174.900 -0.346 0.000 1.171 297 G CA 0.428 45.387 45.100 -0.235 0.000 0.775 297 G HN 0.090 nan 8.290 nan 0.000 0.543 298 L N -0.194 120.801 121.223 -0.380 0.000 2.083 298 L HA -0.009 4.331 4.340 0.001 0.000 0.209 298 L C 2.926 179.619 176.870 -0.294 0.000 1.083 298 L CA 0.561 55.137 54.840 -0.441 0.000 0.752 298 L CB -0.308 41.551 42.059 -0.333 0.000 0.899 298 L HN 0.219 nan 8.230 nan 0.000 0.433 299 L N -0.751 120.384 121.223 -0.147 0.000 2.056 299 L HA -0.229 4.112 4.340 0.001 0.000 0.207 299 L C 2.506 179.427 176.870 0.085 0.000 1.078 299 L CA 1.046 55.909 54.840 0.039 0.000 0.749 299 L CB -0.294 41.783 42.059 0.029 0.000 0.901 299 L HN 0.259 nan 8.230 nan 0.000 0.433 300 L N -0.563 120.619 121.223 -0.068 0.000 1.989 300 L HA -0.233 4.108 4.340 0.001 0.000 0.211 300 L C 2.888 179.656 176.870 -0.170 0.000 1.071 300 L CA 1.379 56.167 54.840 -0.087 0.000 0.749 300 L CB -0.808 41.173 42.059 -0.131 0.000 0.890 300 L HN 0.260 nan 8.230 nan 0.000 0.431 301 A N -0.490 122.073 122.820 -0.429 0.000 1.908 301 A HA -0.287 4.033 4.320 0.001 0.000 0.218 301 A C 2.002 179.338 177.584 -0.413 0.000 1.181 301 A CA 1.850 53.380 52.037 -0.845 0.000 0.627 301 A CB -1.107 16.734 19.000 -1.931 0.000 0.818 301 A HN 0.666 nan 8.150 nan 0.000 0.445 302 W N 0.773 121.835 121.300 -0.398 0.000 2.355 302 W HA -0.199 4.461 4.660 0.001 0.000 0.309 302 W C 2.207 178.816 176.519 0.149 0.000 1.206 302 W CA 2.151 59.540 57.345 0.073 0.000 1.284 302 W CB -0.241 29.222 29.460 0.005 0.000 1.145 302 W HN 0.254 nan 8.180 nan 0.000 0.502 303 R N 0.659 121.021 120.500 -0.230 0.000 2.091 303 R HA -0.168 4.173 4.340 0.001 0.000 0.238 303 R C 2.051 178.178 176.300 -0.287 0.000 1.136 303 R CA 2.028 57.807 56.100 -0.536 0.000 0.959 303 R CB -1.345 28.915 30.300 -0.066 0.000 0.856 303 R HN 0.344 nan 8.270 nan 0.000 0.437 304 L N 0.156 121.351 121.223 -0.047 0.000 2.083 304 L HA 0.045 4.386 4.340 0.001 0.000 0.209 304 L C 2.205 179.227 176.870 0.254 0.000 1.083 304 L CA 1.967 56.880 54.840 0.122 0.000 0.752 304 L CB -0.891 41.310 42.059 0.236 0.000 0.899 304 L HN 0.326 nan 8.230 nan 0.000 0.433 305 A N -0.963 122.099 122.820 0.403 0.000 1.902 305 A HA -0.173 4.147 4.320 0.001 0.000 0.217 305 A C 2.332 179.918 177.584 0.004 0.000 1.181 305 A CA 1.269 53.554 52.037 0.413 0.000 0.623 305 A CB -0.343 19.004 19.000 0.578 0.000 0.818 305 A HN 0.281 nan 8.150 nan 0.000 0.443 306 R N -0.316 120.071 120.500 -0.189 0.000 2.073 306 R HA 0.068 4.409 4.340 0.001 0.000 0.229 306 R C 2.077 178.288 176.300 -0.149 0.000 1.120 306 R CA 1.032 57.000 56.100 -0.220 0.000 0.967 306 R CB -1.220 28.831 30.300 -0.415 0.000 0.862 306 R HN 0.572 nan 8.270 nan 0.000 0.436 307 L N 0.917 122.052 121.223 -0.147 0.000 2.131 307 L HA -0.159 4.182 4.340 0.001 0.000 0.210 307 L C 2.667 179.488 176.870 -0.082 0.000 1.092 307 L CA 1.349 56.133 54.840 -0.093 0.000 0.759 307 L CB -0.379 41.638 42.059 -0.071 0.000 0.903 307 L HN 0.193 nan 8.230 nan 0.000 0.435 308 K N 0.116 120.453 120.400 -0.105 0.000 2.002 308 K HA -0.204 4.116 4.320 0.001 0.000 0.209 308 K C 1.677 178.204 176.600 -0.122 0.000 1.048 308 K CA 1.811 58.005 56.287 -0.155 0.000 0.930 308 K CB -0.007 32.290 32.500 -0.339 0.000 0.714 308 K HN 0.224 nan 8.250 nan 0.000 0.438 309 D N 0.727 121.062 120.400 -0.108 0.000 2.218 309 D HA -0.145 4.495 4.640 0.001 0.000 0.204 309 D C 1.242 177.514 176.300 -0.046 0.000 0.976 309 D CA 1.119 55.077 54.000 -0.070 0.000 0.853 309 D CB 0.055 40.823 40.800 -0.053 0.000 0.939 309 D HN 0.585 nan 8.370 nan 0.000 0.481 310 E N -0.294 119.877 120.200 -0.048 0.000 2.465 310 E HA 0.219 4.569 4.350 0.001 0.000 0.191 310 E C 1.044 177.628 176.600 -0.027 0.000 1.053 310 E CA 0.400 56.781 56.400 -0.032 0.000 0.869 310 E CB -0.008 29.673 29.700 -0.031 0.000 0.977 310 E HN 0.054 nan 8.360 nan 0.000 0.483 311 G N 2.110 110.890 108.800 -0.033 0.000 2.198 311 G HA2 -0.322 3.639 3.960 0.001 0.000 0.260 311 G HA3 -0.322 3.639 3.960 0.001 0.000 0.260 311 G C 0.640 175.527 174.900 -0.021 0.000 1.025 311 G CA 0.733 45.819 45.100 -0.023 0.000 0.769 311 G HN 0.364 nan 8.290 nan 0.000 0.507 312 K N -1.210 119.173 120.400 -0.029 0.000 2.373 312 K HA 0.285 4.606 4.320 0.001 0.000 0.200 312 K C 0.922 177.509 176.600 -0.022 0.000 1.054 312 K CA -0.541 55.733 56.287 -0.022 0.000 1.065 312 K CB 0.678 33.164 32.500 -0.024 0.000 0.886 312 K HN 0.326 nan 8.250 nan 0.000 0.546 313 L N 2.754 123.958 121.223 -0.031 0.000 2.453 313 L HA 0.053 4.393 4.340 0.001 0.000 0.272 313 L C 0.104 176.967 176.870 -0.011 0.000 1.182 313 L CA 0.766 55.592 54.840 -0.024 0.000 0.858 313 L CB 0.624 42.657 42.059 -0.043 0.000 1.120 313 L HN 0.147 nan 8.230 nan 0.000 0.474 314 T N 1.918 116.472 114.554 -0.001 0.000 2.932 314 T HA 0.580 4.930 4.350 0.001 0.000 0.289 314 T C -2.083 172.624 174.700 0.012 0.000 1.039 314 T CA -1.773 60.330 62.100 0.006 0.000 1.024 314 T CB 1.618 70.491 68.868 0.008 0.000 1.090 314 T HN 0.455 nan 8.240 nan 0.000 0.496 315 P HA 0.019 nan 4.420 nan 0.000 0.217 315 P C 1.653 178.975 177.300 0.037 0.000 1.150 315 P CA 1.344 64.459 63.100 0.026 0.000 0.832 315 P CB -0.206 31.508 31.700 0.024 0.000 0.787 316 A N -0.282 122.558 122.820 0.033 0.000 1.933 316 A HA -0.266 4.055 4.320 0.001 0.000 0.218 316 A C 2.207 179.803 177.584 0.020 0.000 1.175 316 A CA 1.560 53.619 52.037 0.037 0.000 0.628 316 A CB -1.237 17.783 19.000 0.032 0.000 0.814 316 A HN 0.211 nan 8.150 nan 0.000 0.444 317 Q N -0.552 119.256 119.800 0.014 0.000 2.084 317 Q HA -0.119 4.221 4.340 0.001 0.000 0.202 317 Q C 2.139 178.141 176.000 0.003 0.000 0.978 317 Q CA 1.638 57.445 55.803 0.007 0.000 0.844 317 Q CB -0.386 28.359 28.738 0.011 0.000 0.898 317 Q HN 0.496 nan 8.270 nan 0.000 0.426 318 V N 0.450 120.375 119.914 0.018 0.000 2.343 318 V HA -0.249 3.871 4.120 0.001 0.000 0.247 318 V C 2.214 178.275 176.094 -0.055 0.000 1.051 318 V CA 1.822 64.135 62.300 0.021 0.000 1.036 318 V CB -0.496 31.358 31.823 0.052 0.000 0.654 318 V HN 0.293 nan 8.190 nan 0.000 0.451 319 S N -0.099 115.575 115.700 -0.043 0.000 2.383 319 S HA -0.204 4.266 4.470 0.001 0.000 0.229 319 S C 1.855 176.320 174.600 -0.225 0.000 1.030 319 S CA 1.839 59.961 58.200 -0.130 0.000 1.002 319 S CB -0.394 62.884 63.200 0.130 0.000 0.829 319 S HN 0.459 nan 8.310 nan 0.000 0.467 320 L N 1.682 122.839 121.223 -0.111 0.000 2.017 320 L HA 0.019 4.359 4.340 0.001 0.000 0.208 320 L C 2.303 179.097 176.870 -0.127 0.000 1.073 320 L CA 2.070 56.847 54.840 -0.103 0.000 0.745 320 L CB -0.991 41.036 42.059 -0.054 0.000 0.894 320 L HN 0.234 nan 8.230 nan 0.000 0.432 321 A N -0.910 121.838 122.820 -0.120 0.000 1.968 321 A HA -0.143 4.178 4.320 0.001 0.000 0.217 321 A C 2.375 179.865 177.584 -0.157 0.000 1.169 321 A CA 1.436 53.393 52.037 -0.134 0.000 0.638 321 A CB -0.549 18.370 19.000 -0.135 0.000 0.812 321 A HN 0.402 nan 8.150 nan 0.000 0.446 322 K N 0.415 120.696 120.400 -0.198 0.000 2.001 322 K HA -0.142 4.178 4.320 0.001 0.000 0.208 322 K C 2.247 178.735 176.600 -0.186 0.000 1.048 322 K CA 1.503 57.670 56.287 -0.200 0.000 0.932 322 K CB -0.456 31.866 32.500 -0.296 0.000 0.715 322 K HN 0.479 nan 8.250 nan 0.000 0.437 323 R N 0.440 120.755 120.500 -0.307 0.000 2.097 323 R HA -0.185 4.156 4.340 0.001 0.000 0.236 323 R C 2.201 178.486 176.300 -0.025 0.000 1.135 323 R CA 1.867 57.847 56.100 -0.200 0.000 0.934 323 R CB -0.144 29.975 30.300 -0.301 0.000 0.846 323 R HN 0.250 nan 8.270 nan 0.000 0.431 324 Q N 0.450 120.219 119.800 -0.051 0.000 2.050 324 Q HA -0.119 4.221 4.340 0.001 0.000 0.202 324 Q C 1.879 177.857 176.000 -0.036 0.000 0.980 324 Q CA 1.888 57.687 55.803 -0.006 0.000 0.840 324 Q CB -0.610 28.097 28.738 -0.052 0.000 0.898 324 Q HN 0.587 nan 8.270 nan 0.000 0.424 325 N N -0.228 118.427 118.700 -0.074 0.000 2.120 325 N HA -0.110 4.631 4.740 0.001 0.000 0.188 325 N C 1.885 177.363 175.510 -0.053 0.000 1.024 325 N CA 1.095 54.086 53.050 -0.098 0.000 0.852 325 N CB 0.143 38.552 38.487 -0.131 0.000 1.003 325 N HN -0.013 nan 8.380 nan 0.000 0.424 326 V N 0.656 120.587 119.914 0.027 0.000 2.379 326 V HA -0.200 3.920 4.120 0.001 0.000 0.245 326 V C 1.842 178.006 176.094 0.116 0.000 1.044 326 V CA 1.266 63.620 62.300 0.090 0.000 1.036 326 V CB -0.669 31.265 31.823 0.185 0.000 0.664 326 V HN 0.543 nan 8.190 nan 0.000 0.453 327 W N 1.280 122.536 121.300 -0.072 0.000 2.355 327 W HA -0.249 4.411 4.660 0.001 0.000 0.309 327 W C 2.446 178.711 176.519 -0.423 0.000 1.206 327 W CA 1.612 58.818 57.345 -0.233 0.000 1.284 327 W CB 0.065 29.486 29.460 -0.065 0.000 1.145 327 W HN 0.193 nan 8.180 nan 0.000 0.502 328 K N 0.254 120.416 120.400 -0.396 0.000 2.057 328 K HA -0.152 4.168 4.320 0.001 0.000 0.207 328 K C 2.277 178.612 176.600 -0.442 0.000 1.049 328 K CA 1.794 57.575 56.287 -0.844 0.000 0.931 328 K CB -0.660 31.394 32.500 -0.743 0.000 0.714 328 K HN 0.121 nan 8.250 nan 0.000 0.440 329 A N 0.889 123.585 122.820 -0.207 0.000 1.972 329 A HA -0.132 4.189 4.320 0.001 0.000 0.219 329 A C 2.070 179.576 177.584 -0.129 0.000 1.169 329 A CA 1.162 53.136 52.037 -0.104 0.000 0.635 329 A CB -0.425 18.533 19.000 -0.070 0.000 0.810 329 A HN 0.259 nan 8.150 nan 0.000 0.446 330 L N -0.273 120.834 121.223 -0.194 0.000 2.072 330 L HA -0.128 4.213 4.340 0.001 0.000 0.205 330 L C 2.433 179.137 176.870 -0.277 0.000 1.079 330 L CA 2.156 56.872 54.840 -0.207 0.000 0.752 330 L CB -0.630 41.273 42.059 -0.260 0.000 0.906 330 L HN 0.491 nan 8.230 nan 0.000 0.436 331 Q N -0.310 119.197 119.800 -0.489 0.000 2.124 331 Q HA -0.147 4.194 4.340 0.001 0.000 0.202 331 Q C 2.266 178.209 176.000 -0.094 0.000 0.977 331 Q CA 1.571 57.093 55.803 -0.468 0.000 0.850 331 Q CB -0.469 27.779 28.738 -0.817 0.000 0.901 331 Q HN 0.672 nan 8.270 nan 0.000 0.429 332 A N 1.226 124.066 122.820 0.035 0.000 1.933 332 A HA -0.090 4.231 4.320 0.001 0.000 0.218 332 A C 2.308 179.908 177.584 0.027 0.000 1.175 332 A CA 1.517 53.650 52.037 0.161 0.000 0.628 332 A CB -0.716 18.411 19.000 0.212 0.000 0.814 332 A HN 0.391 nan 8.150 nan 0.000 0.444 333 A N -0.141 122.664 122.820 -0.025 0.000 1.898 333 A HA -0.116 4.205 4.320 0.001 0.000 0.216 333 A C 2.234 179.793 177.584 -0.042 0.000 1.181 333 A CA 1.436 53.456 52.037 -0.028 0.000 0.620 333 A CB -0.396 18.591 19.000 -0.021 0.000 0.819 333 A HN 0.547 nan 8.150 nan 0.000 0.442 334 R N -1.125 119.337 120.500 -0.064 0.000 2.075 334 R HA 0.021 4.361 4.340 0.001 0.000 0.232 334 R C 2.252 178.516 176.300 -0.060 0.000 1.126 334 R CA 1.598 57.658 56.100 -0.067 0.000 0.963 334 R CB -0.359 29.887 30.300 -0.090 0.000 0.858 334 R HN 0.497 nan 8.270 nan 0.000 0.435 335 M N -0.039 119.532 119.600 -0.048 0.000 2.213 335 M HA -0.126 4.354 4.480 0.001 0.000 0.263 335 M C 2.357 178.620 176.300 -0.061 0.000 1.062 335 M CA 1.594 56.867 55.300 -0.046 0.000 1.105 335 M CB -0.145 32.439 32.600 -0.027 0.000 1.385 335 M HN 0.284 nan 8.290 nan 0.000 0.417 336 A N -0.220 122.566 122.820 -0.058 0.000 1.929 336 A HA -0.124 4.197 4.320 0.001 0.000 0.216 336 A C 2.170 179.673 177.584 -0.134 0.000 1.176 336 A CA 1.153 53.140 52.037 -0.084 0.000 0.628 336 A CB -0.503 18.463 19.000 -0.056 0.000 0.816 336 A HN 0.291 nan 8.150 nan 0.000 0.444 337 R N 0.517 120.949 120.500 -0.113 0.000 2.075 337 R HA -0.159 4.181 4.340 0.001 0.000 0.232 337 R C 1.721 177.933 176.300 -0.147 0.000 1.126 337 R CA 2.005 58.021 56.100 -0.139 0.000 0.963 337 R CB -0.827 29.417 30.300 -0.093 0.000 0.858 337 R HN 0.573 nan 8.270 nan 0.000 0.435 338 D N 0.282 120.619 120.400 -0.105 0.000 2.104 338 D HA -0.144 4.497 4.640 0.001 0.000 0.194 338 D C 2.053 178.295 176.300 -0.098 0.000 0.994 338 D CA 1.441 55.389 54.000 -0.085 0.000 0.830 338 D CB -0.206 40.557 40.800 -0.062 0.000 0.959 338 D HN 0.315 nan 8.370 nan 0.000 0.452 339 I N -0.022 120.482 120.570 -0.109 0.000 2.361 339 I HA -0.211 3.959 4.170 0.001 0.000 0.251 339 I C 2.258 178.274 176.117 -0.169 0.000 1.133 339 I CA 0.560 61.803 61.300 -0.094 0.000 1.413 339 I CB -0.121 37.829 38.000 -0.083 0.000 1.073 339 I HN 0.116 nan 8.210 nan 0.000 0.424 340 L N 0.152 121.146 121.223 -0.381 0.000 2.291 340 L HA 0.068 4.408 4.340 0.001 0.000 0.214 340 L C 1.586 178.179 176.870 -0.461 0.000 1.120 340 L CA 0.564 54.915 54.840 -0.816 0.000 0.799 340 L CB -0.983 40.504 42.059 -0.954 0.000 0.925 340 L HN 0.498 nan 8.230 nan 0.000 0.446 341 G N 0.158 108.823 108.800 -0.226 0.000 2.547 341 G HA2 -0.347 3.613 3.960 0.001 0.000 0.271 341 G HA3 -0.347 3.613 3.960 0.001 0.000 0.271 341 G C 0.867 175.688 174.900 -0.132 0.000 1.209 341 G CA -0.059 44.973 45.100 -0.113 0.000 0.959 341 G HN 0.313 nan 8.290 nan 0.000 0.563 342 G N -0.702 108.055 108.800 -0.072 0.000 2.469 342 G HA2 -0.041 3.919 3.960 0.001 0.000 0.220 342 G HA3 -0.041 3.919 3.960 0.001 0.000 0.220 342 G C 2.142 176.986 174.900 -0.094 0.000 1.136 342 G CA 2.245 47.309 45.100 -0.059 0.000 0.759 342 G HN 1.435 nan 8.290 nan 0.000 0.562 343 S N 0.549 116.159 115.700 -0.151 0.000 2.440 343 S HA -0.048 4.423 4.470 0.001 0.000 0.238 343 S C 2.316 176.710 174.600 -0.344 0.000 1.010 343 S CA 1.008 59.066 58.200 -0.236 0.000 0.972 343 S CB -0.273 62.681 63.200 -0.409 0.000 0.774 343 S HN 0.553 nan 8.310 nan 0.000 0.501 344 G N 1.603 110.177 108.800 -0.377 0.000 2.813 344 G HA2 0.059 4.020 3.960 0.001 0.000 0.209 344 G HA3 0.059 4.020 3.960 0.001 0.000 0.209 344 G C 1.116 175.939 174.900 -0.127 0.000 1.150 344 G CA 0.176 45.102 45.100 -0.291 0.000 0.785 344 G HN 0.686 nan 8.290 nan 0.000 0.535 345 I N -2.063 118.455 120.570 -0.086 0.000 3.684 345 I HA 0.316 4.487 4.170 0.001 0.000 0.304 345 I C 0.029 176.141 176.117 -0.008 0.000 1.278 345 I CA 0.075 61.352 61.300 -0.037 0.000 1.272 345 I CB 0.251 38.238 38.000 -0.023 0.000 1.029 345 I HN -0.251 nan 8.210 nan 0.000 0.458 346 T N 1.465 116.019 114.554 -0.000 0.000 2.856 346 T HA 0.465 4.815 4.350 0.001 0.000 0.283 346 T C 0.781 175.486 174.700 0.009 0.000 1.008 346 T CA -0.539 61.574 62.100 0.023 0.000 0.997 346 T CB 2.231 71.125 68.868 0.043 0.000 0.992 346 T HN 0.150 nan 8.240 nan 0.000 0.454 347 L N 1.984 123.201 121.223 -0.009 0.000 2.721 347 L HA 0.015 4.355 4.340 0.001 0.000 0.241 347 L C 2.321 179.116 176.870 -0.126 0.000 1.168 347 L CA 0.801 55.601 54.840 -0.067 0.000 0.866 347 L CB -0.309 41.745 42.059 -0.008 0.000 0.996 347 L HN 0.778 nan 8.230 nan 0.000 0.451 348 E N -0.150 119.998 120.200 -0.086 0.000 2.418 348 E HA -0.178 4.172 4.350 0.001 0.000 0.197 348 E C 0.912 177.242 176.600 -0.451 0.000 1.026 348 E CA 0.888 57.166 56.400 -0.203 0.000 0.862 348 E CB 0.265 29.923 29.700 -0.069 0.000 0.799 348 E HN 0.551 nan 8.360 nan 0.000 0.518 349 Y N -1.205 118.925 120.300 -0.283 0.000 2.557 349 Y HA 0.154 4.704 4.550 0.001 0.000 0.247 349 Y C 0.520 176.289 175.900 -0.219 0.000 1.164 349 Y CA 0.040 57.962 58.100 -0.297 0.000 1.218 349 Y CB 0.533 38.858 38.460 -0.226 0.000 1.210 349 Y HN 0.113 nan 8.280 nan 0.000 0.529 350 H N -2.003 117.031 119.070 -0.060 0.000 5.017 350 H HA -0.348 4.209 4.556 0.001 0.000 0.071 350 H C 2.094 177.408 175.328 -0.022 0.000 0.562 350 H CA 1.387 57.382 56.048 -0.088 0.000 1.051 350 H CB -1.727 28.049 29.762 0.024 0.000 0.480 350 H HN 0.370 nan 8.280 nan 0.000 0.749 351 A N 1.182 124.099 122.820 0.161 0.000 1.915 351 A HA -0.205 4.115 4.320 0.001 0.000 0.220 351 A C 2.645 180.233 177.584 0.008 0.000 1.198 351 A CA 2.507 54.591 52.037 0.078 0.000 0.647 351 A CB -0.913 18.081 19.000 -0.011 0.000 0.825 351 A HN 0.536 nan 8.150 nan 0.000 0.456 352 I N -1.590 118.946 120.570 -0.057 0.000 2.617 352 I HA -0.128 4.042 4.170 0.001 0.000 0.256 352 I C 2.566 178.559 176.117 -0.206 0.000 1.167 352 I CA 1.107 62.348 61.300 -0.099 0.000 1.469 352 I CB -0.155 37.793 38.000 -0.087 0.000 1.098 352 I HN 0.416 nan 8.210 nan 0.000 0.436 353 R N -0.237 120.040 120.500 -0.371 0.000 2.075 353 R HA -0.200 4.140 4.340 0.001 0.000 0.232 353 R C 2.340 178.350 176.300 -0.483 0.000 1.126 353 R CA 1.474 57.111 56.100 -0.771 0.000 0.963 353 R CB -0.300 29.422 30.300 -0.962 0.000 0.858 353 R HN 0.439 nan 8.270 nan 0.000 0.435 354 H N 0.159 119.103 119.070 -0.211 0.000 2.357 354 H HA -0.133 4.424 4.556 0.001 0.000 0.301 354 H C 2.044 177.327 175.328 -0.075 0.000 1.082 354 H CA 1.743 57.723 56.048 -0.115 0.000 1.342 354 H CB -0.223 29.488 29.762 -0.085 0.000 1.389 354 H HN 0.299 nan 8.280 nan 0.000 0.511 355 M N 0.472 120.094 119.600 0.037 0.000 2.108 355 M HA -0.169 4.311 4.480 0.001 0.000 0.261 355 M C 1.973 178.286 176.300 0.023 0.000 1.066 355 M CA 1.463 56.769 55.300 0.010 0.000 1.107 355 M CB -0.087 32.504 32.600 -0.015 0.000 1.356 355 M HN 0.164 nan 8.290 nan 0.000 0.406 356 L N -0.241 120.997 121.223 0.026 0.000 2.072 356 L HA -0.205 4.136 4.340 0.001 0.000 0.205 356 L C 1.917 178.872 176.870 0.141 0.000 1.079 356 L CA 1.477 56.383 54.840 0.110 0.000 0.752 356 L CB -0.735 41.456 42.059 0.219 0.000 0.906 356 L HN 0.423 nan 8.230 nan 0.000 0.436 357 N N 0.023 118.803 118.700 0.134 0.000 2.084 357 N HA -0.190 4.550 4.740 0.001 0.000 0.190 357 N C 1.892 177.443 175.510 0.068 0.000 1.030 357 N CA 0.945 54.085 53.050 0.149 0.000 0.849 357 N CB -0.153 38.420 38.487 0.143 0.000 1.012 357 N HN 0.190 nan 8.380 nan 0.000 0.423 358 L N 0.857 122.118 121.223 0.064 0.000 2.187 358 L HA -0.193 4.147 4.340 0.001 0.000 0.213 358 L C 2.338 179.243 176.870 0.059 0.000 1.100 358 L CA 0.890 55.756 54.840 0.043 0.000 0.765 358 L CB -0.262 41.812 42.059 0.026 0.000 0.904 358 L HN 0.221 nan 8.230 nan 0.000 0.437 359 E N -0.143 120.098 120.200 0.068 0.000 2.085 359 E HA -0.189 4.161 4.350 0.001 0.000 0.194 359 E C 2.073 178.710 176.600 0.062 0.000 0.994 359 E CA 1.937 58.408 56.400 0.119 0.000 0.801 359 E CB -0.110 29.643 29.700 0.089 0.000 0.743 359 E HN 0.298 nan 8.360 nan 0.000 0.453 360 T N -0.451 114.069 114.554 -0.057 0.000 2.737 360 T HA -0.097 4.254 4.350 0.001 0.000 0.265 360 T C 1.809 176.201 174.700 -0.513 0.000 1.038 360 T CA 1.427 63.384 62.100 -0.238 0.000 1.144 360 T CB -0.248 68.476 68.868 -0.239 0.000 0.866 360 T HN 0.018 nan 8.240 nan 0.000 0.434 361 V N 0.619 120.213 119.914 -0.534 0.000 2.913 361 V HA -0.089 4.031 4.120 0.001 0.000 0.260 361 V C 1.933 177.994 176.094 -0.056 0.000 1.098 361 V CA 1.039 62.992 62.300 -0.579 0.000 1.121 361 V CB -0.862 30.849 31.823 -0.187 0.000 0.714 361 V HN 0.508 nan 8.190 nan 0.000 0.487 362 Y N 1.281 121.516 120.300 -0.110 0.000 2.457 362 Y HA -0.076 4.474 4.550 0.001 0.000 0.292 362 Y C 2.281 178.189 175.900 0.013 0.000 1.125 362 Y CA 1.600 59.706 58.100 0.011 0.000 1.254 362 Y CB -0.140 38.344 38.460 0.041 0.000 1.012 362 Y HN 0.222 nan 8.280 nan 0.000 0.555 363 T N 0.153 114.648 114.554 -0.098 0.000 3.046 363 T HA 0.044 4.395 4.350 0.001 0.000 0.242 363 T C -0.163 174.549 174.700 0.019 0.000 1.018 363 T CA 0.487 62.506 62.100 -0.135 0.000 1.131 363 T CB -0.351 68.426 68.868 -0.151 0.000 0.904 363 T HN 0.241 nan 8.240 nan 0.000 0.459 364 Y N 1.541 121.839 120.300 -0.004 0.000 2.281 364 Y HA 0.485 5.036 4.550 0.001 0.000 0.337 364 Y C 0.491 176.423 175.900 0.054 0.000 1.304 364 Y CA -2.082 56.031 58.100 0.021 0.000 1.465 364 Y CB -0.072 38.414 38.460 0.043 0.000 1.350 364 Y HN 0.165 nan 8.280 nan 0.000 0.575 365 E N -0.047 120.289 120.200 0.227 0.000 2.476 365 E HA -0.140 4.210 4.350 0.001 0.000 0.251 365 E C 0.308 177.027 176.600 0.198 0.000 1.130 365 E CA 1.258 57.733 56.400 0.127 0.000 0.736 365 E CB -1.882 27.876 29.700 0.097 0.000 1.298 365 E HN 1.593 nan 8.360 nan 0.000 0.400 366 G N 0.318 109.160 108.800 0.071 0.000 3.409 366 G HA2 -0.143 3.818 3.960 0.001 0.000 0.686 366 G HA3 -0.143 3.818 3.960 0.001 0.000 0.686 366 G C 0.299 175.116 174.900 -0.139 0.000 1.017 366 G CA 0.097 45.086 45.100 -0.185 0.000 0.854 366 G HN 0.622 nan 8.290 nan 0.000 0.508 367 T N 0.622 115.072 114.554 -0.174 0.000 2.748 367 T HA 0.324 4.674 4.350 0.001 0.000 0.304 367 T C 1.465 176.083 174.700 -0.136 0.000 1.041 367 T CA 0.550 62.550 62.100 -0.166 0.000 1.033 367 T CB 1.126 69.877 68.868 -0.195 0.000 0.995 367 T HN 0.821 nan 8.240 nan 0.000 0.536 368 H N 0.775 119.655 119.070 -0.316 0.000 2.319 368 H HA -0.148 4.409 4.556 0.001 0.000 0.297 368 H C 1.410 176.638 175.328 -0.166 0.000 1.097 368 H CA 2.582 58.498 56.048 -0.221 0.000 1.285 368 H CB -0.217 29.285 29.762 -0.432 0.000 1.368 368 H HN 0.692 nan 8.280 nan 0.000 0.495 369 D N 0.202 120.549 120.400 -0.088 0.000 2.144 369 D HA -0.131 4.510 4.640 0.001 0.000 0.200 369 D C 2.417 178.610 176.300 -0.180 0.000 0.978 369 D CA 1.472 55.403 54.000 -0.116 0.000 0.833 369 D CB -0.344 40.391 40.800 -0.109 0.000 0.961 369 D HN 0.455 nan 8.370 nan 0.000 0.470 370 V N -0.344 119.461 119.914 -0.182 0.000 2.407 370 V HA -0.201 3.919 4.120 0.001 0.000 0.248 370 V C 2.123 178.126 176.094 -0.152 0.000 1.055 370 V CA 1.540 63.761 62.300 -0.132 0.000 1.049 370 V CB -0.747 31.016 31.823 -0.100 0.000 0.662 370 V HN 0.175 nan 8.190 nan 0.000 0.455 371 H N 0.872 119.890 119.070 -0.087 0.000 2.389 371 H HA -0.052 4.505 4.556 0.001 0.000 0.299 371 H C 2.574 177.812 175.328 -0.149 0.000 1.081 371 H CA 2.083 58.071 56.048 -0.101 0.000 1.345 371 H CB -0.707 28.959 29.762 -0.159 0.000 1.393 371 H HN 0.490 nan 8.280 nan 0.000 0.520 372 T N 1.968 116.451 114.554 -0.119 0.000 2.720 372 T HA -0.102 4.249 4.350 0.001 0.000 0.268 372 T C 2.203 176.799 174.700 -0.172 0.000 1.037 372 T CA 0.636 62.646 62.100 -0.151 0.000 1.144 372 T CB -0.150 68.623 68.868 -0.159 0.000 0.864 372 T HN 0.068 nan 8.240 nan 0.000 0.444 373 L N 0.926 121.967 121.223 -0.303 0.000 2.093 373 L HA -0.010 4.330 4.340 0.001 0.000 0.208 373 L C 2.619 179.330 176.870 -0.265 0.000 1.085 373 L CA 1.209 55.712 54.840 -0.561 0.000 0.755 373 L CB -1.472 39.705 42.059 -1.471 0.000 0.904 373 L HN 0.183 nan 8.230 nan 0.000 0.435 374 V N -0.149 119.779 119.914 0.024 0.000 2.295 374 V HA -0.286 3.834 4.120 0.001 0.000 0.246 374 V C 2.600 178.747 176.094 0.088 0.000 1.049 374 V CA 1.412 63.836 62.300 0.207 0.000 1.024 374 V CB -0.310 31.637 31.823 0.206 0.000 0.648 374 V HN 0.318 nan 8.190 nan 0.000 0.447 375 L N 0.089 121.330 121.223 0.029 0.000 2.046 375 L HA -0.074 4.267 4.340 0.001 0.000 0.208 375 L C 2.658 179.524 176.870 -0.007 0.000 1.077 375 L CA 1.683 56.528 54.840 0.007 0.000 0.747 375 L CB -1.217 40.832 42.059 -0.016 0.000 0.896 375 L HN 0.475 nan 8.230 nan 0.000 0.432 376 G N -0.158 108.617 108.800 -0.041 0.000 2.446 376 G HA2 -0.303 3.657 3.960 0.001 0.000 0.217 376 G HA3 -0.303 3.657 3.960 0.001 0.000 0.217 376 G C 1.757 176.649 174.900 -0.014 0.000 1.168 376 G CA 0.732 45.803 45.100 -0.048 0.000 0.771 376 G HN 0.252 nan 8.290 nan 0.000 0.551 377 R N 0.311 120.822 120.500 0.019 0.000 2.096 377 R HA -0.045 4.296 4.340 0.001 0.000 0.235 377 R C 2.305 178.634 176.300 0.049 0.000 1.127 377 R CA 1.393 57.533 56.100 0.066 0.000 0.968 377 R CB -0.336 30.067 30.300 0.171 0.000 0.861 377 R HN 0.309 nan 8.270 nan 0.000 0.440 378 E N 0.523 120.751 120.200 0.046 0.000 2.150 378 E HA -0.143 4.208 4.350 0.001 0.000 0.193 378 E C 2.006 178.618 176.600 0.020 0.000 0.985 378 E CA 1.091 57.510 56.400 0.032 0.000 0.814 378 E CB 0.002 29.722 29.700 0.032 0.000 0.752 378 E HN 0.451 nan 8.360 nan 0.000 0.466 379 I N 0.255 120.833 120.570 0.013 0.000 2.333 379 I HA -0.185 3.985 4.170 0.001 0.000 0.246 379 I C 2.550 178.671 176.117 0.007 0.000 1.106 379 I CA 1.568 62.873 61.300 0.008 0.000 1.411 379 I CB -0.187 37.814 38.000 0.001 0.000 1.082 379 I HN 0.104 nan 8.210 nan 0.000 0.420 380 T N -2.734 111.824 114.554 0.007 0.000 3.037 380 T HA 0.262 4.613 4.350 0.001 0.000 0.252 380 T C 1.650 176.357 174.700 0.012 0.000 1.073 380 T CA 0.581 62.685 62.100 0.007 0.000 1.091 380 T CB 0.587 69.456 68.868 0.002 0.000 0.935 380 T HN 0.474 nan 8.240 nan 0.000 0.488 381 G N 1.352 110.163 108.800 0.018 0.000 2.159 381 G HA2 -0.183 3.778 3.960 0.001 0.000 0.256 381 G HA3 -0.183 3.778 3.960 0.001 0.000 0.256 381 G C -0.114 174.801 174.900 0.025 0.000 0.977 381 G CA 0.264 45.376 45.100 0.020 0.000 0.652 381 G HN 0.640 nan 8.290 nan 0.000 0.531 382 L N 0.168 121.407 121.223 0.027 0.000 2.317 382 L HA 0.455 4.795 4.340 0.001 0.000 0.281 382 L C 0.291 177.195 176.870 0.056 0.000 1.024 382 L CA -0.902 53.958 54.840 0.032 0.000 0.810 382 L CB 1.796 43.866 42.059 0.018 0.000 1.240 382 L HN 0.206 nan 8.230 nan 0.000 0.427 383 N N 1.319 120.065 118.700 0.078 0.000 2.422 383 N HA 0.389 5.129 4.740 0.001 0.000 0.264 383 N C 0.207 175.792 175.510 0.125 0.000 1.063 383 N CA -0.016 53.126 53.050 0.153 0.000 0.959 383 N CB 1.326 39.897 38.487 0.141 0.000 1.087 383 N HN 0.770 nan 8.380 nan 0.000 0.483 384 A N 3.765 126.641 122.820 0.093 0.000 2.508 384 A HA 0.259 4.580 4.320 0.001 0.000 0.257 384 A C -0.120 177.442 177.584 -0.037 0.000 1.226 384 A CA -0.476 51.556 52.037 -0.010 0.000 0.947 384 A CB -0.107 18.837 19.000 -0.092 0.000 1.079 384 A HN 0.575 nan 8.150 nan 0.000 0.531 385 F N 0.000 119.938 119.950 -0.020 0.000 2.286 385 F HA 0.000 4.527 4.527 0.001 0.000 0.279 385 F CA 0.000 57.987 58.000 -0.022 0.000 1.383 385 F CB 0.000 38.986 39.000 -0.023 0.000 1.145 385 F HN 0.000 nan 8.300 nan 0.000 0.574