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 3obz_1_A DATA FIRST_RESID 2 DATA SEQUENCE ACLSPSQLQK FQQDGFLVLE GFLSAEECVA MQQRIGEIVA EMDVPLHCRT DATA SEQUENCE EFSTQEEEQL RAQGSTDYFL SSGDKIRFFF EKGVFDEKGN FLVPPEKSIN DATA SEQUENCE KIGHALHAHD PVFKSITHSF KVQTLARSLG LQMPVVVQSM YIFKQPHFGG DATA SEQUENCE EVSPHQDASF LYTEPLGRVL GVWIAVEDAT LENGCLWFIP GSHTSGVSRR DATA SEQUENCE MVRAPVGSAP GTSFLGSEPA RDNSLFVPTP VQRGALVLIH GEVVHKSKQN DATA SEQUENCE LSDRSRQAYT FHLMEASGTT WSPENWLQPT AELPFPQLYT 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.592 177.584 0.014 0.000 1.274 2 A CA 0.000 52.034 52.037 -0.006 0.000 0.836 2 A CB 0.000 18.879 19.000 -0.202 0.000 0.831 3 C N 1.576 120.857 119.300 -0.032 0.000 2.463 3 C HA 0.802 5.262 4.460 -0.000 0.000 0.380 3 C C 0.317 175.301 174.990 -0.010 0.000 1.264 3 C CA -1.005 57.998 59.018 -0.026 0.000 2.161 3 C CB -0.790 26.930 27.740 -0.034 0.000 2.515 3 C HN 0.574 nan 8.230 nan 0.000 0.565 4 L N 4.267 125.477 121.223 -0.022 0.000 2.371 4 L HA 0.395 4.735 4.340 -0.000 0.000 0.272 4 L C 1.126 177.986 176.870 -0.017 0.000 1.124 4 L CA 0.110 54.934 54.840 -0.028 0.000 0.816 4 L CB 1.164 43.189 42.059 -0.057 0.000 1.129 4 L HN 1.009 nan 8.230 nan 0.000 0.448 5 S N 1.810 117.502 115.700 -0.014 0.000 2.603 5 S HA 0.284 4.754 4.470 -0.000 0.000 0.268 5 S C -1.891 172.704 174.600 -0.008 0.000 1.317 5 S CA -1.157 57.038 58.200 -0.009 0.000 1.012 5 S CB 1.228 64.423 63.200 -0.008 0.000 0.926 5 S HN 0.404 nan 8.310 nan 0.000 0.539 6 P HA -0.150 nan 4.420 nan 0.000 0.217 6 P C 1.758 179.056 177.300 -0.004 0.000 1.151 6 P CA 1.541 64.640 63.100 -0.001 0.000 0.849 6 P CB -0.072 31.627 31.700 -0.001 0.000 0.787 7 S N -0.799 114.895 115.700 -0.009 0.000 2.343 7 S HA -0.242 4.228 4.470 -0.000 0.000 0.219 7 S C 1.993 176.581 174.600 -0.021 0.000 1.033 7 S CA 1.457 59.647 58.200 -0.016 0.000 1.014 7 S CB -0.859 62.330 63.200 -0.017 0.000 0.915 7 S HN 0.169 nan 8.310 nan 0.000 0.435 8 Q N 0.189 119.975 119.800 -0.024 0.000 2.135 8 Q HA -0.065 4.275 4.340 -0.000 0.000 0.204 8 Q C 2.171 178.165 176.000 -0.010 0.000 0.981 8 Q CA 1.107 56.889 55.803 -0.034 0.000 0.856 8 Q CB -0.304 28.407 28.738 -0.045 0.000 0.902 8 Q HN 0.387 nan 8.270 nan 0.000 0.425 9 L N 1.190 122.415 121.223 0.004 0.000 2.079 9 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 9 L C 2.285 179.198 176.870 0.071 0.000 1.081 9 L CA 1.877 56.745 54.840 0.047 0.000 0.752 9 L CB -0.839 41.238 42.059 0.030 0.000 0.896 9 L HN 0.387 nan 8.230 nan 0.000 0.433 10 Q N -0.409 119.405 119.800 0.023 0.000 2.083 10 Q HA -0.244 4.096 4.340 -0.000 0.000 0.198 10 Q C 2.246 178.232 176.000 -0.023 0.000 0.969 10 Q CA 1.504 57.307 55.803 0.001 0.000 0.838 10 Q CB 0.072 28.802 28.738 -0.014 0.000 0.900 10 Q HN 0.382 nan 8.270 nan 0.000 0.436 11 K N -0.287 120.089 120.400 -0.038 0.000 2.063 11 K HA -0.197 4.123 4.320 -0.000 0.000 0.208 11 K C 1.908 178.433 176.600 -0.125 0.000 1.048 11 K CA 1.391 57.619 56.287 -0.099 0.000 0.928 11 K CB -0.294 32.136 32.500 -0.117 0.000 0.713 11 K HN 0.185 nan 8.250 nan 0.000 0.442 12 F N 2.230 122.050 119.950 -0.217 0.000 2.102 12 F HA -0.184 4.343 4.527 -0.000 0.000 0.298 12 F C 2.040 177.730 175.800 -0.182 0.000 1.105 12 F CA 1.669 59.522 58.000 -0.245 0.000 1.239 12 F CB -0.368 38.533 39.000 -0.165 0.000 0.991 12 F HN 0.130 nan 8.300 nan 0.000 0.474 13 Q N -0.303 119.396 119.800 -0.167 0.000 2.124 13 Q HA -0.239 4.101 4.340 -0.000 0.000 0.202 13 Q C 2.168 178.116 176.000 -0.085 0.000 0.977 13 Q CA 1.947 57.652 55.803 -0.162 0.000 0.850 13 Q CB -0.313 28.400 28.738 -0.043 0.000 0.901 13 Q HN 0.611 nan 8.270 nan 0.000 0.429 14 Q N 0.233 119.964 119.800 -0.114 0.000 2.049 14 Q HA -0.127 4.213 4.340 -0.000 0.000 0.198 14 Q C 1.359 177.317 176.000 -0.071 0.000 0.971 14 Q CA 1.135 56.892 55.803 -0.078 0.000 0.833 14 Q CB 0.161 28.842 28.738 -0.096 0.000 0.896 14 Q HN 0.361 nan 8.270 nan 0.000 0.434 15 D N -1.233 118.995 120.400 -0.288 0.000 2.213 15 D HA 0.032 4.672 4.640 -0.000 0.000 0.205 15 D C 1.170 177.119 176.300 -0.585 0.000 0.961 15 D CA 1.258 55.016 54.000 -0.402 0.000 0.853 15 D CB 0.361 40.684 40.800 -0.795 0.000 0.967 15 D HN 0.435 nan 8.370 nan 0.000 0.496 16 G N 0.286 108.439 108.800 -1.079 0.000 2.176 16 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.232 16 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.232 16 G C 0.168 174.781 174.900 -0.478 0.000 0.986 16 G CA 0.257 44.465 45.100 -1.486 0.000 0.643 16 G HN 0.416 nan 8.290 nan 0.000 0.522 17 F N -1.960 117.741 119.950 -0.415 0.000 2.693 17 F HA 0.849 5.376 4.527 -0.000 0.000 0.309 17 F C -1.498 174.226 175.800 -0.127 0.000 1.129 17 F CA -1.943 55.888 58.000 -0.282 0.000 0.948 17 F CB 1.354 39.678 39.000 -1.128 0.000 1.315 17 F HN 0.485 nan 8.300 nan 0.000 0.447 18 L N 2.634 123.816 121.223 -0.068 0.000 2.493 18 L HA 0.758 5.098 4.340 -0.000 0.000 0.265 18 L C -1.807 175.007 176.870 -0.092 0.000 0.954 18 L CA -0.584 54.151 54.840 -0.175 0.000 0.844 18 L CB 2.260 44.206 42.059 -0.189 0.000 1.302 18 L HN 0.690 nan 8.230 nan 0.000 0.405 19 V N 6.228 126.113 119.914 -0.048 0.000 2.383 19 V HA 0.422 4.542 4.120 -0.000 0.000 0.275 19 V C -0.072 176.011 176.094 -0.019 0.000 1.036 19 V CA -0.286 62.011 62.300 -0.004 0.000 0.889 19 V CB 1.285 33.132 31.823 0.041 0.000 0.985 19 V HN 0.577 nan 8.190 nan 0.000 0.459 20 L N 5.183 126.400 121.223 -0.009 0.000 2.387 20 L HA 0.451 4.791 4.340 -0.000 0.000 0.259 20 L C 0.362 177.289 176.870 0.094 0.000 1.050 20 L CA -0.440 54.416 54.840 0.028 0.000 0.922 20 L CB 0.931 42.996 42.059 0.010 0.000 1.280 20 L HN 0.582 nan 8.230 nan 0.000 0.449 21 E N 1.721 121.969 120.200 0.080 0.000 2.418 21 E HA 0.069 4.419 4.350 -0.000 0.000 0.261 21 E C 1.120 177.784 176.600 0.107 0.000 1.070 21 E CA 0.743 57.197 56.400 0.090 0.000 0.931 21 E CB 1.006 30.743 29.700 0.060 0.000 0.954 21 E HN 0.760 nan 8.360 nan 0.000 0.439 22 G N 2.529 111.392 108.800 0.105 0.000 2.203 22 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.263 22 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.263 22 G C 0.536 175.497 174.900 0.102 0.000 1.012 22 G CA 0.700 45.851 45.100 0.084 0.000 0.749 22 G HN 0.572 nan 8.290 nan 0.000 0.512 23 F N -0.039 119.923 119.950 0.020 0.000 2.126 23 F HA 0.219 4.746 4.527 -0.000 0.000 0.299 23 F C 1.452 177.269 175.800 0.028 0.000 1.096 23 F CA 1.564 59.574 58.000 0.018 0.000 1.255 23 F CB 0.059 39.069 39.000 0.016 0.000 0.997 23 F HN 0.205 nan 8.300 nan 0.000 0.479 24 L N -0.193 121.089 121.223 0.098 0.000 2.322 24 L HA 0.334 4.674 4.340 -0.000 0.000 0.269 24 L C 0.445 177.322 176.870 0.011 0.000 1.012 24 L CA -0.964 53.883 54.840 0.012 0.000 0.815 24 L CB 1.700 43.831 42.059 0.121 0.000 1.295 24 L HN -0.014 nan 8.230 nan 0.000 0.438 25 S N 0.319 116.011 115.700 -0.013 0.000 2.645 25 S HA 0.386 4.856 4.470 -0.000 0.000 0.266 25 S C 0.954 175.559 174.600 0.007 0.000 1.258 25 S CA -0.040 58.157 58.200 -0.006 0.000 0.990 25 S CB 1.563 64.752 63.200 -0.018 0.000 0.967 25 S HN 0.702 nan 8.310 nan 0.000 0.556 26 A N 0.560 123.385 122.820 0.007 0.000 1.969 26 A HA -0.020 4.300 4.320 -0.000 0.000 0.218 26 A C 1.922 179.508 177.584 0.003 0.000 1.169 26 A CA 1.590 53.634 52.037 0.010 0.000 0.635 26 A CB -1.105 17.902 19.000 0.011 0.000 0.810 26 A HN 0.881 nan 8.150 nan 0.000 0.445 27 E N 0.425 120.621 120.200 -0.006 0.000 2.106 27 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 27 E C 1.835 178.420 176.600 -0.025 0.000 0.984 27 E CA 1.447 57.838 56.400 -0.015 0.000 0.806 27 E CB -0.265 29.424 29.700 -0.018 0.000 0.750 27 E HN 0.770 nan 8.360 nan 0.000 0.458 28 E N -0.150 120.037 120.200 -0.022 0.000 2.106 28 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 28 E C 1.954 178.534 176.600 -0.034 0.000 0.984 28 E CA 1.076 57.456 56.400 -0.034 0.000 0.806 28 E CB -0.170 29.522 29.700 -0.014 0.000 0.750 28 E HN 0.271 nan 8.360 nan 0.000 0.458 29 C N 0.417 119.715 119.300 -0.003 0.000 2.446 29 C HA -0.069 4.391 4.460 -0.000 0.000 0.277 29 C C 2.739 177.733 174.990 0.007 0.000 1.275 29 C CA 0.198 59.224 59.018 0.013 0.000 1.727 29 C CB -0.614 27.142 27.740 0.026 0.000 2.010 29 C HN 0.254 nan 8.230 nan 0.000 0.486 30 V N 1.452 121.364 119.914 -0.003 0.000 2.343 30 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 30 V C 2.720 178.794 176.094 -0.033 0.000 1.051 30 V CA 2.170 64.468 62.300 -0.004 0.000 1.036 30 V CB -1.215 30.605 31.823 -0.005 0.000 0.654 30 V HN 0.598 nan 8.190 nan 0.000 0.451 31 A N -0.511 122.268 122.820 -0.069 0.000 1.883 31 A HA -0.281 4.039 4.320 -0.000 0.000 0.217 31 A C 2.242 179.703 177.584 -0.204 0.000 1.186 31 A CA 2.451 54.412 52.037 -0.126 0.000 0.624 31 A CB -0.475 18.436 19.000 -0.149 0.000 0.822 31 A HN 0.507 nan 8.150 nan 0.000 0.444 32 M N -1.565 117.901 119.600 -0.224 0.000 2.132 32 M HA -0.187 4.293 4.480 -0.000 0.000 0.263 32 M C 2.547 178.841 176.300 -0.011 0.000 1.065 32 M CA 1.917 57.039 55.300 -0.297 0.000 1.122 32 M CB -0.395 32.152 32.600 -0.087 0.000 1.365 32 M HN 0.610 nan 8.290 nan 0.000 0.411 33 Q N 0.548 120.386 119.800 0.064 0.000 2.061 33 Q HA -0.281 4.059 4.340 -0.000 0.000 0.204 33 Q C 2.075 178.099 176.000 0.041 0.000 0.984 33 Q CA 2.065 57.929 55.803 0.103 0.000 0.846 33 Q CB -0.100 28.699 28.738 0.102 0.000 0.902 33 Q HN 0.543 nan 8.270 nan 0.000 0.421 34 Q N -0.188 119.615 119.800 0.005 0.000 2.050 34 Q HA -0.266 4.074 4.340 -0.000 0.000 0.202 34 Q C 2.111 178.109 176.000 -0.004 0.000 0.980 34 Q CA 1.651 57.454 55.803 -0.000 0.000 0.840 34 Q CB -0.137 28.589 28.738 -0.019 0.000 0.898 34 Q HN 0.101 nan 8.270 nan 0.000 0.424 35 R N 0.407 120.884 120.500 -0.040 0.000 2.081 35 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 35 R C 2.016 178.351 176.300 0.059 0.000 1.131 35 R CA 1.458 57.554 56.100 -0.008 0.000 0.960 35 R CB -0.906 29.345 30.300 -0.082 0.000 0.856 35 R HN 0.462 nan 8.270 nan 0.000 0.436 36 I N 0.362 120.955 120.570 0.037 0.000 2.361 36 I HA -0.078 4.092 4.170 -0.000 0.000 0.251 36 I C 1.924 178.070 176.117 0.048 0.000 1.133 36 I CA 1.750 63.012 61.300 -0.065 0.000 1.413 36 I CB -0.764 36.891 38.000 -0.575 0.000 1.073 36 I HN 0.346 nan 8.210 nan 0.000 0.424 37 G N -0.627 108.209 108.800 0.061 0.000 2.422 37 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 37 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 37 G C 1.566 176.511 174.900 0.075 0.000 1.146 37 G CA 0.696 45.849 45.100 0.089 0.000 0.769 37 G HN 0.464 nan 8.290 nan 0.000 0.547 38 E N -0.034 120.203 120.200 0.061 0.000 2.106 38 E HA 0.007 4.357 4.350 -0.000 0.000 0.192 38 E C 2.469 179.117 176.600 0.080 0.000 0.984 38 E CA 0.378 56.812 56.400 0.056 0.000 0.806 38 E CB -0.106 29.620 29.700 0.043 0.000 0.750 38 E HN 0.445 nan 8.360 nan 0.000 0.458 39 I N 0.746 121.381 120.570 0.109 0.000 2.286 39 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 39 I C 2.233 178.488 176.117 0.230 0.000 1.115 39 I CA 0.765 62.166 61.300 0.167 0.000 1.392 39 I CB -0.103 37.992 38.000 0.157 0.000 1.065 39 I HN 0.011 nan 8.210 nan 0.000 0.418 40 V N 0.933 120.964 119.914 0.195 0.000 2.453 40 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 40 V C 2.693 178.795 176.094 0.013 0.000 1.048 40 V CA 1.770 64.154 62.300 0.140 0.000 1.049 40 V CB -0.834 31.060 31.823 0.117 0.000 0.672 40 V HN 0.472 nan 8.190 nan 0.000 0.457 41 A N -0.125 122.712 122.820 0.028 0.000 1.972 41 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 41 A C 2.015 179.585 177.584 -0.023 0.000 1.169 41 A CA 1.854 53.888 52.037 -0.005 0.000 0.635 41 A CB -0.348 18.658 19.000 0.011 0.000 0.810 41 A HN 0.614 nan 8.150 nan 0.000 0.446 42 E N -0.922 119.279 120.200 0.002 0.000 2.479 42 E HA 0.179 4.529 4.350 -0.000 0.000 0.193 42 E C 0.685 177.261 176.600 -0.040 0.000 1.049 42 E CA -0.400 55.999 56.400 -0.003 0.000 0.870 42 E CB 0.017 29.739 29.700 0.036 0.000 0.944 42 E HN 0.749 nan 8.360 nan 0.000 0.492 43 M N 1.516 121.036 119.600 -0.134 0.000 2.249 43 M HA 0.013 4.493 4.480 -0.000 0.000 0.340 43 M C -0.836 175.281 176.300 -0.304 0.000 1.166 43 M CA 0.595 55.656 55.300 -0.397 0.000 1.115 43 M CB 0.686 32.706 32.600 -0.966 0.000 1.606 43 M HN -0.199 nan 8.290 nan 0.000 0.448 44 D N 4.204 124.447 120.400 -0.261 0.000 2.278 44 D HA 0.291 4.931 4.640 -0.000 0.000 0.245 44 D C -0.707 175.495 176.300 -0.163 0.000 1.052 44 D CA -0.327 53.583 54.000 -0.151 0.000 0.834 44 D CB 2.081 42.852 40.800 -0.049 0.000 1.194 44 D HN 0.455 nan 8.370 nan 0.000 0.481 45 V N 4.189 124.008 119.914 -0.159 0.000 2.599 45 V HA 0.029 4.149 4.120 -0.000 0.000 0.300 45 V C -1.863 174.167 176.094 -0.107 0.000 1.034 45 V CA -0.789 61.432 62.300 -0.132 0.000 1.115 45 V CB 0.218 31.916 31.823 -0.207 0.000 0.934 45 V HN 0.380 nan 8.190 nan 0.000 0.485 46 P HA 0.030 nan 4.420 nan 0.000 0.267 46 P C 1.062 178.191 177.300 -0.285 0.000 1.200 46 P CA -0.014 62.911 63.100 -0.292 0.000 0.772 46 P CB 0.543 31.796 31.700 -0.745 0.000 0.855 47 L N 3.469 124.623 121.223 -0.114 0.000 2.010 47 L HA -0.283 4.057 4.340 -0.000 0.000 0.219 47 L C 2.310 179.153 176.870 -0.044 0.000 1.077 47 L CA 1.935 56.762 54.840 -0.023 0.000 0.773 47 L CB -0.712 41.395 42.059 0.080 0.000 0.892 47 L HN 0.632 nan 8.230 nan 0.000 0.436 48 H N -1.974 117.063 119.070 -0.055 0.000 2.518 48 H HA -0.129 4.427 4.556 -0.000 0.000 0.289 48 H C 1.957 177.247 175.328 -0.064 0.000 1.051 48 H CA 1.299 57.319 56.048 -0.048 0.000 1.280 48 H CB -1.066 28.667 29.762 -0.049 0.000 1.380 48 H HN 0.446 nan 8.280 nan 0.000 0.566 49 C N 1.011 120.060 119.300 -0.420 0.000 2.791 49 C HA 0.251 4.711 4.460 -0.000 0.000 0.270 49 C C 2.523 177.490 174.990 -0.039 0.000 1.257 49 C CA -0.425 58.442 59.018 -0.252 0.000 1.699 49 C CB -0.475 27.105 27.740 -0.266 0.000 1.904 49 C HN 0.529 nan 8.230 nan 0.000 0.603 50 R N 0.330 120.795 120.500 -0.058 0.000 2.057 50 R HA -0.009 4.331 4.340 -0.000 0.000 0.224 50 R C 1.350 177.648 176.300 -0.003 0.000 1.136 50 R CA 0.897 56.987 56.100 -0.016 0.000 0.968 50 R CB -0.725 29.555 30.300 -0.034 0.000 0.863 50 R HN 0.389 nan 8.270 nan 0.000 0.433 51 T N 2.179 116.731 114.554 -0.003 0.000 2.851 51 T HA 0.042 4.392 4.350 -0.000 0.000 0.298 51 T C -0.086 174.613 174.700 -0.001 0.000 0.977 51 T CA -0.550 61.553 62.100 0.006 0.000 1.126 51 T CB 0.859 69.743 68.868 0.026 0.000 0.916 51 T HN 0.285 nan 8.240 nan 0.000 0.529 52 E N 4.039 124.217 120.200 -0.036 0.000 2.280 52 E HA 0.556 4.905 4.350 -0.000 0.000 0.264 52 E C -0.683 175.880 176.600 -0.062 0.000 1.064 52 E CA -0.913 55.407 56.400 -0.133 0.000 0.900 52 E CB 0.771 30.362 29.700 -0.181 0.000 1.123 52 E HN 0.571 nan 8.360 nan 0.000 0.418 53 F N -0.505 119.414 119.950 -0.052 0.000 2.598 53 F HA 0.635 5.162 4.527 -0.000 0.000 0.327 53 F C 0.430 176.210 175.800 -0.035 0.000 1.057 53 F CA -0.565 57.409 58.000 -0.043 0.000 0.957 53 F CB 1.705 40.672 39.000 -0.054 0.000 1.278 53 F HN 0.549 nan 8.300 nan 0.000 0.484 54 S N -1.198 114.665 115.700 0.272 0.000 3.325 54 S HA 0.232 4.702 4.470 -0.000 0.000 0.254 54 S C 0.535 175.243 174.600 0.181 0.000 1.084 54 S CA 0.568 58.867 58.200 0.165 0.000 0.786 54 S CB -0.388 62.850 63.200 0.063 0.000 0.849 54 S HN 1.025 nan 8.310 nan 0.000 0.483 55 T N 0.188 114.819 114.554 0.127 0.000 2.912 55 T HA 0.496 4.846 4.350 -0.000 0.000 0.280 55 T C 0.668 175.381 174.700 0.020 0.000 0.989 55 T CA -0.577 61.561 62.100 0.063 0.000 0.995 55 T CB 1.409 70.297 68.868 0.035 0.000 1.077 55 T HN 0.218 nan 8.240 nan 0.000 0.531 56 Q N -0.298 119.487 119.800 -0.024 0.000 2.224 56 Q HA -0.099 4.241 4.340 -0.000 0.000 0.203 56 Q C 1.992 177.951 176.000 -0.068 0.000 0.970 56 Q CA 1.234 56.989 55.803 -0.080 0.000 0.865 56 Q CB -0.191 28.509 28.738 -0.064 0.000 0.922 56 Q HN 0.849 nan 8.270 nan 0.000 0.445 57 E N 1.311 121.493 120.200 -0.029 0.000 2.187 57 E HA -0.235 4.115 4.350 -0.000 0.000 0.199 57 E C 1.218 177.806 176.600 -0.019 0.000 1.004 57 E CA 1.774 58.163 56.400 -0.018 0.000 0.813 57 E CB 0.169 29.869 29.700 -0.001 0.000 0.736 57 E HN 0.517 nan 8.360 nan 0.000 0.468 58 E N -0.657 119.534 120.200 -0.014 0.000 2.134 58 E HA -0.034 4.316 4.350 -0.000 0.000 0.194 58 E C 2.076 178.625 176.600 -0.086 0.000 0.937 58 E CA 0.420 56.822 56.400 0.004 0.000 0.874 58 E CB -0.548 29.204 29.700 0.088 0.000 0.853 58 E HN 0.303 nan 8.360 nan 0.000 0.471 59 E N 1.687 121.743 120.200 -0.239 0.000 2.187 59 E HA -0.304 4.046 4.350 -0.000 0.000 0.199 59 E C 2.098 178.454 176.600 -0.406 0.000 1.004 59 E CA 1.585 57.558 56.400 -0.712 0.000 0.813 59 E CB 0.054 29.142 29.700 -1.021 0.000 0.736 59 E HN 0.261 nan 8.360 nan 0.000 0.468 60 Q N -0.628 119.036 119.800 -0.227 0.000 2.096 60 Q HA -0.098 4.242 4.340 -0.000 0.000 0.197 60 Q C 2.134 178.075 176.000 -0.099 0.000 0.964 60 Q CA 0.974 56.689 55.803 -0.146 0.000 0.838 60 Q CB 0.092 28.772 28.738 -0.097 0.000 0.906 60 Q HN 0.266 nan 8.270 nan 0.000 0.444 61 L N 0.431 121.611 121.223 -0.071 0.000 2.201 61 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 61 L C 2.238 179.092 176.870 -0.027 0.000 1.105 61 L CA 1.525 56.346 54.840 -0.033 0.000 0.775 61 L CB -0.579 41.474 42.059 -0.009 0.000 0.913 61 L HN 0.129 nan 8.230 nan 0.000 0.440 62 R N 0.023 120.494 120.500 -0.049 0.000 2.062 62 R HA -0.078 4.262 4.340 -0.000 0.000 0.229 62 R C 2.245 178.517 176.300 -0.047 0.000 1.128 62 R CA 1.255 57.347 56.100 -0.013 0.000 0.960 62 R CB -0.227 30.060 30.300 -0.020 0.000 0.855 62 R HN 0.268 nan 8.270 nan 0.000 0.432 63 A N 0.299 123.060 122.820 -0.098 0.000 2.015 63 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 63 A C 2.010 179.555 177.584 -0.065 0.000 1.163 63 A CA 1.406 53.391 52.037 -0.087 0.000 0.646 63 A CB -0.381 18.554 19.000 -0.107 0.000 0.806 63 A HN 0.447 nan 8.150 nan 0.000 0.448 64 Q N -0.218 119.549 119.800 -0.055 0.000 2.062 64 Q HA 0.059 4.399 4.340 -0.000 0.000 0.196 64 Q C 2.008 177.985 176.000 -0.038 0.000 0.967 64 Q CA 1.966 57.752 55.803 -0.030 0.000 0.832 64 Q CB -1.006 27.723 28.738 -0.016 0.000 0.899 64 Q HN 0.432 nan 8.270 nan 0.000 0.442 65 G N -0.301 108.463 108.800 -0.061 0.000 2.440 65 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.218 65 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.218 65 G C 1.589 176.301 174.900 -0.312 0.000 1.154 65 G CA 1.106 46.151 45.100 -0.091 0.000 0.767 65 G HN 0.455 nan 8.290 nan 0.000 0.552 66 S N -0.160 115.238 115.700 -0.503 0.000 2.359 66 S HA -0.146 4.324 4.470 -0.000 0.000 0.224 66 S C 2.504 177.085 174.600 -0.032 0.000 1.035 66 S CA 2.312 60.160 58.200 -0.587 0.000 1.018 66 S CB -0.651 62.437 63.200 -0.187 0.000 0.876 66 S HN 0.368 nan 8.310 nan 0.000 0.448 67 T N 2.005 116.570 114.554 0.018 0.000 2.708 67 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 67 T C 1.440 176.260 174.700 0.200 0.000 1.037 67 T CA 1.555 63.735 62.100 0.133 0.000 1.146 67 T CB -0.579 68.335 68.868 0.076 0.000 0.865 67 T HN 0.487 nan 8.240 nan 0.000 0.435 68 D N -0.062 120.415 120.400 0.127 0.000 2.144 68 D HA -0.088 4.551 4.640 -0.000 0.000 0.199 68 D C 1.779 178.203 176.300 0.206 0.000 0.984 68 D CA 0.960 55.046 54.000 0.142 0.000 0.834 68 D CB -0.350 40.512 40.800 0.103 0.000 0.955 68 D HN 0.411 nan 8.370 nan 0.000 0.465 69 Y N 0.834 121.183 120.300 0.082 0.000 2.128 69 Y HA -0.278 4.272 4.550 -0.000 0.000 0.284 69 Y C 2.179 178.267 175.900 0.313 0.000 1.154 69 Y CA 1.386 59.585 58.100 0.164 0.000 1.149 69 Y CB -0.564 37.975 38.460 0.132 0.000 0.976 69 Y HN -0.086 nan 8.280 nan 0.000 0.505 70 F N 0.166 120.305 119.950 0.315 0.000 2.084 70 F HA -0.200 4.327 4.527 -0.000 0.000 0.296 70 F C 1.964 177.836 175.800 0.120 0.000 1.111 70 F CA 1.749 59.919 58.000 0.284 0.000 1.224 70 F CB -0.829 38.256 39.000 0.141 0.000 0.991 70 F HN 0.021 nan 8.300 nan 0.000 0.471 71 L N 0.208 121.422 121.223 -0.016 0.000 2.129 71 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 71 L C 1.861 178.769 176.870 0.064 0.000 1.087 71 L CA 1.598 56.426 54.840 -0.018 0.000 0.757 71 L CB -0.940 41.203 42.059 0.140 0.000 0.896 71 L HN 0.372 nan 8.230 nan 0.000 0.434 72 S N -2.324 113.413 115.700 0.062 0.000 2.573 72 S HA 0.087 4.557 4.470 -0.000 0.000 0.244 72 S C 1.169 175.805 174.600 0.060 0.000 0.984 72 S CA 0.002 58.244 58.200 0.069 0.000 1.001 72 S CB 0.176 63.416 63.200 0.067 0.000 0.788 72 S HN 0.366 nan 8.310 nan 0.000 0.456 73 S N -0.295 115.460 115.700 0.092 0.000 2.557 73 S HA 0.322 4.792 4.470 -0.000 0.000 0.223 73 S C 1.714 176.490 174.600 0.292 0.000 0.969 73 S CA 0.149 58.448 58.200 0.164 0.000 0.927 73 S CB -0.228 63.150 63.200 0.297 0.000 0.806 73 S HN 0.511 nan 8.310 nan 0.000 0.489 74 G N 2.895 111.841 108.800 0.242 0.000 2.442 74 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.219 74 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.219 74 G C 0.920 175.944 174.900 0.205 0.000 1.141 74 G CA 1.155 46.370 45.100 0.192 0.000 0.763 74 G HN 0.762 nan 8.290 nan 0.000 0.554 75 D N -0.975 119.530 120.400 0.176 0.000 2.593 75 D HA 0.214 4.854 4.640 -0.000 0.000 0.241 75 D C 0.437 176.904 176.300 0.278 0.000 1.257 75 D CA -0.225 53.900 54.000 0.208 0.000 0.828 75 D CB 0.325 41.229 40.800 0.173 0.000 1.049 75 D HN 0.031 nan 8.370 nan 0.000 0.490 76 K N 0.025 120.549 120.400 0.206 0.000 2.261 76 K HA 0.561 4.881 4.320 -0.000 0.000 0.242 76 K C -0.291 176.381 176.600 0.120 0.000 1.083 76 K CA -0.890 55.472 56.287 0.126 0.000 0.880 76 K CB 1.728 34.247 32.500 0.032 0.000 1.353 76 K HN -0.033 nan 8.250 nan 0.000 0.486 77 I N 2.385 122.964 120.570 0.016 0.000 2.502 77 I HA 0.313 4.483 4.170 -0.000 0.000 0.276 77 I C -0.203 175.753 176.117 -0.268 0.000 1.057 77 I CA -0.342 60.904 61.300 -0.089 0.000 1.163 77 I CB 0.950 38.912 38.000 -0.064 0.000 1.288 77 I HN 0.232 nan 8.210 nan 0.000 0.479 78 R N 4.065 124.371 120.500 -0.324 0.000 2.923 78 R HA 0.718 5.058 4.340 -0.000 0.000 0.252 78 R C -1.402 174.433 176.300 -0.776 0.000 1.130 78 R CA -0.799 55.017 56.100 -0.474 0.000 1.043 78 R CB 1.987 32.006 30.300 -0.468 0.000 1.205 78 R HN 0.146 nan 8.270 nan 0.000 0.495 79 F N 0.826 120.655 119.950 -0.203 0.000 2.458 79 F HA 0.478 5.005 4.527 -0.000 0.000 0.336 79 F C -0.556 174.810 175.800 -0.723 0.000 1.114 79 F CA -0.730 57.049 58.000 -0.369 0.000 0.987 79 F CB 0.925 39.714 39.000 -0.351 0.000 1.130 79 F HN 0.204 nan 8.300 nan 0.000 0.458 80 F N 2.987 122.906 119.950 -0.052 0.000 2.493 80 F HA 0.586 5.113 4.527 -0.000 0.000 0.329 80 F C -0.658 175.076 175.800 -0.111 0.000 1.126 80 F CA -1.045 56.985 58.000 0.049 0.000 0.937 80 F CB 1.169 40.256 39.000 0.146 0.000 1.146 80 F HN 0.201 nan 8.300 nan 0.000 0.442 81 F N 0.795 120.999 119.950 0.424 0.000 2.403 81 F HA 0.394 4.921 4.527 -0.000 0.000 0.326 81 F C 0.722 176.716 175.800 0.324 0.000 1.081 81 F CA -1.172 57.047 58.000 0.364 0.000 1.041 81 F CB 0.592 39.839 39.000 0.411 0.000 1.234 81 F HN 0.313 nan 8.300 nan 0.000 0.503 82 E N 1.821 122.288 120.200 0.444 0.000 2.465 82 E HA -0.031 4.319 4.350 -0.000 0.000 0.260 82 E C 0.824 177.608 176.600 0.307 0.000 0.980 82 E CA 0.092 56.683 56.400 0.317 0.000 0.927 82 E CB 0.541 30.414 29.700 0.289 0.000 0.934 82 E HN 0.477 nan 8.360 nan 0.000 0.459 83 K N 1.795 122.348 120.400 0.254 0.000 2.097 83 K HA -0.106 4.214 4.320 -0.000 0.000 0.206 83 K C 1.479 178.210 176.600 0.219 0.000 1.049 83 K CA 1.228 57.657 56.287 0.238 0.000 0.933 83 K CB -0.181 32.404 32.500 0.141 0.000 0.717 83 K HN 0.551 nan 8.250 nan 0.000 0.442 84 G N 1.332 110.199 108.800 0.111 0.000 3.448 84 G HA2 0.152 4.112 3.960 -0.000 0.000 0.261 84 G HA3 0.152 4.112 3.960 -0.000 0.000 0.261 84 G C 0.950 175.777 174.900 -0.122 0.000 1.173 84 G CA 0.048 45.166 45.100 0.030 0.000 0.835 84 G HN 0.183 nan 8.290 nan 0.000 0.534 85 V N -3.444 116.324 119.914 -0.243 0.000 3.596 85 V HA 0.540 4.660 4.120 -0.000 0.000 0.289 85 V C 0.004 175.680 176.094 -0.697 0.000 1.336 85 V CA -0.621 61.346 62.300 -0.555 0.000 1.137 85 V CB -1.249 30.175 31.823 -0.664 0.000 0.966 85 V HN 0.035 nan 8.190 nan 0.000 0.428 86 F N 2.072 121.880 119.950 -0.236 0.000 2.492 86 F HA 0.676 5.203 4.527 -0.000 0.000 0.327 86 F C 0.741 176.436 175.800 -0.174 0.000 1.079 86 F CA -1.195 56.646 58.000 -0.265 0.000 0.967 86 F CB 1.128 39.941 39.000 -0.311 0.000 1.169 86 F HN 0.130 nan 8.300 nan 0.000 0.472 87 D N 0.180 120.582 120.400 0.004 0.000 2.315 87 D HA 0.030 4.670 4.640 -0.000 0.000 0.275 87 D C 1.034 177.311 176.300 -0.038 0.000 1.218 87 D CA 0.014 53.993 54.000 -0.035 0.000 1.040 87 D CB 0.110 40.871 40.800 -0.065 0.000 1.123 87 D HN 0.484 nan 8.370 nan 0.000 0.541 88 E N -1.023 119.137 120.200 -0.068 0.000 2.230 88 E HA -0.013 4.337 4.350 -0.000 0.000 0.192 88 E C 1.300 177.740 176.600 -0.267 0.000 0.987 88 E CA 0.933 57.299 56.400 -0.056 0.000 0.841 88 E CB -0.044 29.650 29.700 -0.009 0.000 0.783 88 E HN 0.394 nan 8.360 nan 0.000 0.481 89 K N -0.750 119.410 120.400 -0.399 0.000 2.458 89 K HA 0.173 4.493 4.320 -0.000 0.000 0.194 89 K C 0.513 176.443 176.600 -1.117 0.000 1.024 89 K CA 0.497 56.346 56.287 -0.729 0.000 1.108 89 K CB 0.333 32.613 32.500 -0.367 0.000 0.846 89 K HN 0.234 nan 8.250 nan 0.000 0.518 90 G N 1.900 110.211 108.800 -0.815 0.000 2.137 90 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.237 90 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.237 90 G C -0.475 174.303 174.900 -0.202 0.000 1.002 90 G CA -0.438 44.335 45.100 -0.546 0.000 0.702 90 G HN 0.262 nan 8.290 nan 0.000 0.515 91 N N -0.201 118.443 118.700 -0.093 0.000 2.473 91 N HA 0.541 5.281 4.740 -0.000 0.000 0.291 91 N C 0.032 175.571 175.510 0.048 0.000 1.083 91 N CA -0.334 52.732 53.050 0.026 0.000 0.951 91 N CB 0.624 39.097 38.487 -0.024 0.000 1.164 91 N HN 0.032 nan 8.380 nan 0.000 0.480 92 F N 1.207 121.122 119.950 -0.059 0.000 2.538 92 F HA 0.066 4.593 4.527 -0.000 0.000 0.371 92 F C 1.874 177.527 175.800 -0.245 0.000 1.087 92 F CA -0.188 57.620 58.000 -0.320 0.000 1.250 92 F CB 0.466 39.266 39.000 -0.334 0.000 1.110 92 F HN 0.343 nan 8.300 nan 0.000 0.570 93 L N 3.195 124.327 121.223 -0.152 0.000 2.341 93 L HA 0.061 4.401 4.340 -0.000 0.000 0.214 93 L C 0.228 177.047 176.870 -0.085 0.000 1.115 93 L CA 0.225 54.991 54.840 -0.122 0.000 0.820 93 L CB -0.400 41.549 42.059 -0.183 0.000 0.944 93 L HN 0.497 nan 8.230 nan 0.000 0.452 94 V N -6.067 113.802 119.914 -0.075 0.000 3.160 94 V HA 0.572 4.692 4.120 -0.000 0.000 0.310 94 V C -2.757 173.312 176.094 -0.043 0.000 1.181 94 V CA -2.692 59.584 62.300 -0.040 0.000 1.047 94 V CB 1.113 32.931 31.823 -0.009 0.000 1.068 94 V HN -0.228 nan 8.190 nan 0.000 0.441 95 P HA 0.186 nan 4.420 nan 0.000 0.263 95 P C -2.268 174.927 177.300 -0.175 0.000 1.175 95 P CA -0.504 62.509 63.100 -0.145 0.000 0.761 95 P CB 0.002 31.646 31.700 -0.094 0.000 0.794 96 P HA -0.216 nan 4.420 nan 0.000 0.216 96 P C 1.282 178.588 177.300 0.010 0.000 1.150 96 P CA 1.395 64.242 63.100 -0.421 0.000 0.843 96 P CB -0.271 30.893 31.700 -0.893 0.000 0.787 97 E N 0.553 120.706 120.200 -0.078 0.000 2.472 97 E HA -0.161 4.189 4.350 -0.000 0.000 0.200 97 E C 0.879 177.457 176.600 -0.037 0.000 1.046 97 E CA 1.151 57.520 56.400 -0.052 0.000 0.871 97 E CB -0.526 29.130 29.700 -0.072 0.000 0.806 97 E HN 0.321 nan 8.360 nan 0.000 0.533 98 K N 0.193 120.607 120.400 0.022 0.000 2.387 98 K HA 0.241 4.561 4.320 -0.000 0.000 0.203 98 K C 0.854 177.580 176.600 0.210 0.000 1.030 98 K CA 0.066 56.400 56.287 0.078 0.000 1.099 98 K CB 0.870 33.432 32.500 0.104 0.000 0.863 98 K HN -0.045 nan 8.250 nan 0.000 0.529 99 S N 0.690 116.523 115.700 0.222 0.000 2.559 99 S HA 0.245 4.714 4.470 -0.000 0.000 0.226 99 S C 0.568 175.402 174.600 0.390 0.000 1.000 99 S CA -0.372 58.040 58.200 0.353 0.000 0.948 99 S CB 0.245 63.645 63.200 0.333 0.000 0.870 99 S HN 0.147 nan 8.310 nan 0.000 0.497 100 I N 3.631 124.288 120.570 0.146 0.000 2.587 100 I HA 0.036 4.206 4.170 -0.000 0.000 0.284 100 I C 1.644 177.784 176.117 0.039 0.000 1.134 100 I CA -0.187 61.070 61.300 -0.072 0.000 1.410 100 I CB 0.307 38.086 38.000 -0.368 0.000 1.392 100 I HN 0.181 nan 8.210 nan 0.000 0.545 101 N N 7.075 125.894 118.700 0.200 0.000 2.220 101 N HA -0.034 4.706 4.740 -0.000 0.000 0.182 101 N C 0.154 175.913 175.510 0.414 0.000 1.023 101 N CA 1.046 54.275 53.050 0.299 0.000 0.856 101 N CB 0.529 39.180 38.487 0.274 0.000 0.997 101 N HN 0.779 nan 8.380 nan 0.000 0.429 102 K N -0.746 119.892 120.400 0.396 0.000 2.579 102 K HA 0.471 4.791 4.320 -0.000 0.000 0.284 102 K C -1.563 175.273 176.600 0.393 0.000 0.990 102 K CA -0.762 55.773 56.287 0.413 0.000 0.880 102 K CB 1.440 34.072 32.500 0.220 0.000 1.488 102 K HN -0.102 nan 8.250 nan 0.000 0.425 103 I N 0.575 121.319 120.570 0.291 0.000 2.498 103 I HA 0.677 4.847 4.170 -0.000 0.000 0.290 103 I C -0.378 175.734 176.117 -0.009 0.000 1.032 103 I CA -0.547 60.812 61.300 0.098 0.000 1.073 103 I CB 2.325 40.323 38.000 -0.003 0.000 1.251 103 I HN 0.969 nan 8.210 nan 0.000 0.426 104 G N 2.745 111.507 108.800 -0.063 0.000 2.523 104 G HA2 0.411 4.371 3.960 -0.000 0.000 0.291 104 G HA3 0.411 4.371 3.960 -0.000 0.000 0.291 104 G C -1.161 173.732 174.900 -0.013 0.000 1.450 104 G CA -0.363 44.617 45.100 -0.200 0.000 0.790 104 G HN 0.680 nan 8.290 nan 0.000 0.496 105 H N -0.709 118.485 119.070 0.206 0.000 3.367 105 H HA 0.487 5.043 4.556 -0.000 0.000 0.257 105 H C 1.150 176.620 175.328 0.237 0.000 1.201 105 H CA 0.660 56.851 56.048 0.239 0.000 1.102 105 H CB 1.506 31.454 29.762 0.311 0.000 1.656 105 H HN 0.651 nan 8.280 nan 0.000 0.662 106 A N 0.753 123.700 122.820 0.212 0.000 2.749 106 A HA 0.266 4.586 4.320 -0.000 0.000 0.299 106 A C 1.211 178.702 177.584 -0.155 0.000 1.105 106 A CA -0.220 51.793 52.037 -0.040 0.000 0.987 106 A CB -0.474 18.482 19.000 -0.072 0.000 1.180 106 A HN 0.324 nan 8.150 nan 0.000 0.528 107 L N -0.485 120.752 121.223 0.024 0.000 2.079 107 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 107 L C 2.614 179.514 176.870 0.049 0.000 1.081 107 L CA 2.080 56.917 54.840 -0.005 0.000 0.752 107 L CB -0.548 41.426 42.059 -0.142 0.000 0.896 107 L HN 0.924 nan 8.230 nan 0.000 0.433 108 H N -1.675 117.481 119.070 0.143 0.000 2.489 108 H HA -0.052 4.504 4.556 -0.000 0.000 0.295 108 H C 1.748 177.104 175.328 0.048 0.000 1.082 108 H CA 1.189 57.304 56.048 0.112 0.000 1.295 108 H CB -0.145 29.632 29.762 0.025 0.000 1.380 108 H HN 0.297 nan 8.280 nan 0.000 0.548 109 A N 0.161 122.625 122.820 -0.594 0.000 2.070 109 A HA 0.090 4.410 4.320 -0.000 0.000 0.202 109 A C 1.280 178.621 177.584 -0.404 0.000 1.277 109 A CA 0.173 51.905 52.037 -0.508 0.000 0.872 109 A CB 0.102 18.625 19.000 -0.795 0.000 0.933 109 A HN 0.514 nan 8.150 nan 0.000 0.475 110 H N -0.528 118.490 119.070 -0.087 0.000 2.586 110 H HA 0.219 4.775 4.556 -0.000 0.000 0.273 110 H C -0.948 174.388 175.328 0.014 0.000 0.997 110 H CA 0.239 56.270 56.048 -0.028 0.000 1.177 110 H CB 0.323 30.067 29.762 -0.031 0.000 1.471 110 H HN 0.539 nan 8.280 nan 0.000 0.538 111 D N 0.181 120.653 120.400 0.121 0.000 2.593 111 D HA 0.208 4.848 4.640 -0.000 0.000 0.251 111 D C -1.877 174.486 176.300 0.104 0.000 1.140 111 D CA -1.996 52.088 54.000 0.141 0.000 0.855 111 D CB 2.449 43.393 40.800 0.240 0.000 1.267 111 D HN -0.196 nan 8.370 nan 0.000 0.532 112 P HA -0.189 nan 4.420 nan 0.000 0.216 112 P C 1.340 178.626 177.300 -0.024 0.000 1.153 112 P CA 0.604 63.715 63.100 0.019 0.000 0.858 112 P CB 0.286 31.990 31.700 0.007 0.000 0.789 113 V N -1.481 118.382 119.914 -0.085 0.000 2.270 113 V HA -0.231 3.889 4.120 -0.000 0.000 0.245 113 V C 2.160 178.051 176.094 -0.338 0.000 1.043 113 V CA 1.851 64.001 62.300 -0.250 0.000 1.014 113 V CB -1.391 30.180 31.823 -0.420 0.000 0.645 113 V HN -0.015 nan 8.190 nan 0.000 0.447 114 F N 0.492 120.352 119.950 -0.150 0.000 2.186 114 F HA -0.129 4.398 4.527 -0.000 0.000 0.299 114 F C 2.437 178.186 175.800 -0.086 0.000 1.090 114 F CA 1.987 59.835 58.000 -0.254 0.000 1.307 114 F CB -0.408 38.374 39.000 -0.363 0.000 1.019 114 F HN 0.044 nan 8.300 nan 0.000 0.489 115 K N 0.084 120.566 120.400 0.136 0.000 2.026 115 K HA -0.211 4.109 4.320 -0.000 0.000 0.208 115 K C 2.484 179.178 176.600 0.156 0.000 1.048 115 K CA 1.641 58.026 56.287 0.164 0.000 0.929 115 K CB -0.446 32.130 32.500 0.125 0.000 0.713 115 K HN 0.151 nan 8.250 nan 0.000 0.439 116 S N 0.365 116.106 115.700 0.068 0.000 2.382 116 S HA -0.099 4.371 4.470 -0.000 0.000 0.228 116 S C 1.912 176.545 174.600 0.056 0.000 1.027 116 S CA 1.158 59.393 58.200 0.058 0.000 0.991 116 S CB -0.264 62.938 63.200 0.003 0.000 0.823 116 S HN 0.389 nan 8.310 nan 0.000 0.469 117 I N 0.872 121.448 120.570 0.010 0.000 2.353 117 I HA -0.112 4.058 4.170 -0.000 0.000 0.248 117 I C 2.429 178.589 176.117 0.072 0.000 1.119 117 I CA 1.295 62.620 61.300 0.042 0.000 1.417 117 I CB -0.570 37.429 38.000 -0.001 0.000 1.078 117 I HN 0.336 nan 8.210 nan 0.000 0.421 118 T N -0.842 113.693 114.554 -0.031 0.000 2.821 118 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 118 T C 1.425 175.887 174.700 -0.395 0.000 1.046 118 T CA 1.150 63.004 62.100 -0.410 0.000 1.139 118 T CB -0.237 68.268 68.868 -0.604 0.000 0.871 118 T HN 0.362 nan 8.240 nan 0.000 0.454 119 H N 1.446 120.491 119.070 -0.042 0.000 2.519 119 H HA 0.332 4.888 4.556 -0.000 0.000 0.289 119 H C 1.225 176.602 175.328 0.081 0.000 1.040 119 H CA -0.187 55.872 56.048 0.018 0.000 1.165 119 H CB -0.091 29.684 29.762 0.022 0.000 1.462 119 H HN 0.382 nan 8.280 nan 0.000 0.555 120 S N -0.077 115.724 115.700 0.168 0.000 2.580 120 S HA -0.101 4.369 4.470 -0.000 0.000 0.261 120 S C 1.336 176.070 174.600 0.222 0.000 1.366 120 S CA -0.540 57.769 58.200 0.181 0.000 0.996 120 S CB 0.547 63.836 63.200 0.148 0.000 0.902 120 S HN 0.253 nan 8.310 nan 0.000 0.566 121 F N 1.697 121.688 119.950 0.069 0.000 2.102 121 F HA -0.000 4.527 4.527 -0.000 0.000 0.298 121 F C 2.233 178.077 175.800 0.075 0.000 1.105 121 F CA 1.814 59.850 58.000 0.060 0.000 1.239 121 F CB -0.660 38.351 39.000 0.018 0.000 0.991 121 F HN 0.685 nan 8.300 nan 0.000 0.474 122 K N -0.130 120.256 120.400 -0.024 0.000 2.063 122 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 122 K C 2.006 178.689 176.600 0.138 0.000 1.048 122 K CA 1.815 58.021 56.287 -0.136 0.000 0.928 122 K CB -0.603 31.699 32.500 -0.330 0.000 0.713 122 K HN 0.224 nan 8.250 nan 0.000 0.442 123 V N 1.605 121.674 119.914 0.259 0.000 2.453 123 V HA -0.209 3.911 4.120 -0.000 0.000 0.247 123 V C 2.196 178.387 176.094 0.162 0.000 1.048 123 V CA 1.544 64.019 62.300 0.290 0.000 1.049 123 V CB -0.420 31.575 31.823 0.285 0.000 0.672 123 V HN 0.340 nan 8.190 nan 0.000 0.457 124 Q N 0.302 120.181 119.800 0.132 0.000 2.119 124 Q HA -0.165 4.175 4.340 -0.000 0.000 0.201 124 Q C 2.454 178.521 176.000 0.111 0.000 0.972 124 Q CA 2.069 57.998 55.803 0.209 0.000 0.847 124 Q CB -0.395 28.490 28.738 0.246 0.000 0.903 124 Q HN 0.857 nan 8.270 nan 0.000 0.433 125 T N -0.079 114.407 114.554 -0.113 0.000 2.777 125 T HA -0.130 4.220 4.350 -0.000 0.000 0.266 125 T C 1.884 176.553 174.700 -0.052 0.000 1.040 125 T CA 0.857 62.852 62.100 -0.176 0.000 1.141 125 T CB -0.371 68.233 68.868 -0.441 0.000 0.868 125 T HN 0.123 nan 8.240 nan 0.000 0.444 126 L N 2.210 123.431 121.223 -0.003 0.000 2.012 126 L HA 0.148 4.488 4.340 -0.000 0.000 0.210 126 L C 2.838 179.708 176.870 -0.000 0.000 1.073 126 L CA 1.920 56.763 54.840 0.005 0.000 0.748 126 L CB -1.389 40.682 42.059 0.020 0.000 0.891 126 L HN 0.365 nan 8.230 nan 0.000 0.431 127 A N -0.427 122.427 122.820 0.057 0.000 1.902 127 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 127 A C 2.413 180.097 177.584 0.166 0.000 1.181 127 A CA 1.835 53.928 52.037 0.093 0.000 0.623 127 A CB -0.538 18.537 19.000 0.126 0.000 0.818 127 A HN 0.534 nan 8.150 nan 0.000 0.443 128 R N 0.154 120.767 120.500 0.187 0.000 2.073 128 R HA -0.118 4.222 4.340 -0.000 0.000 0.234 128 R C 2.551 178.878 176.300 0.045 0.000 1.134 128 R CA 1.721 57.882 56.100 0.100 0.000 0.952 128 R CB -0.544 29.729 30.300 -0.044 0.000 0.850 128 R HN 0.697 nan 8.270 nan 0.000 0.433 129 S N 0.703 116.411 115.700 0.013 0.000 2.500 129 S HA -0.068 4.402 4.470 -0.000 0.000 0.239 129 S C 1.694 176.299 174.600 0.007 0.000 0.989 129 S CA 0.906 59.106 58.200 -0.001 0.000 0.951 129 S CB -0.185 63.004 63.200 -0.018 0.000 0.759 129 S HN 0.265 nan 8.310 nan 0.000 0.523 130 L N 0.564 121.798 121.223 0.018 0.000 2.607 130 L HA 0.355 4.695 4.340 -0.000 0.000 0.228 130 L C 1.719 178.623 176.870 0.056 0.000 1.123 130 L CA 0.259 55.114 54.840 0.024 0.000 0.890 130 L CB -0.352 41.700 42.059 -0.011 0.000 1.103 130 L HN 0.548 nan 8.230 nan 0.000 0.468 131 G N 0.750 109.588 108.800 0.063 0.000 2.160 131 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.251 131 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.251 131 G C -0.021 174.937 174.900 0.096 0.000 1.008 131 G CA -0.277 44.866 45.100 0.072 0.000 0.724 131 G HN 0.127 nan 8.290 nan 0.000 0.514 132 L N 0.413 121.710 121.223 0.124 0.000 2.462 132 L HA 0.274 4.614 4.340 -0.000 0.000 0.272 132 L C 1.680 178.668 176.870 0.195 0.000 1.166 132 L CA 0.470 55.380 54.840 0.117 0.000 0.880 132 L CB 0.820 42.915 42.059 0.060 0.000 1.142 132 L HN 0.188 nan 8.230 nan 0.000 0.473 133 Q N 2.284 122.163 119.800 0.132 0.000 1.967 133 Q HA 0.139 4.479 4.340 -0.000 0.000 0.196 133 Q C 0.525 176.627 176.000 0.171 0.000 0.978 133 Q CA 1.162 57.057 55.803 0.154 0.000 0.833 133 Q CB 0.055 28.848 28.738 0.092 0.000 0.898 133 Q HN 0.532 nan 8.270 nan 0.000 0.446 134 M N 2.606 122.252 119.600 0.076 0.000 2.854 134 M HA 0.268 4.748 4.480 -0.000 0.000 0.203 134 M C -2.544 173.729 176.300 -0.044 0.000 1.069 134 M CA -1.848 53.475 55.300 0.038 0.000 0.803 134 M CB 1.057 33.688 32.600 0.052 0.000 1.380 134 M HN -0.127 nan 8.290 nan 0.000 0.494 135 P HA 0.210 nan 4.420 nan 0.000 0.276 135 P C -0.717 176.479 177.300 -0.173 0.000 1.235 135 P CA -0.001 62.979 63.100 -0.200 0.000 0.772 135 P CB 0.997 32.492 31.700 -0.342 0.000 0.871 136 V N 1.723 121.567 119.914 -0.115 0.000 2.864 136 V HA 0.512 4.632 4.120 -0.000 0.000 0.314 136 V C -0.262 175.730 176.094 -0.170 0.000 1.073 136 V CA -1.123 61.125 62.300 -0.088 0.000 0.956 136 V CB 2.072 33.891 31.823 -0.007 0.000 1.023 136 V HN 0.189 nan 8.190 nan 0.000 0.435 137 V N 4.142 123.947 119.914 -0.182 0.000 2.368 137 V HA 0.208 4.328 4.120 -0.000 0.000 0.266 137 V C 1.278 177.075 176.094 -0.495 0.000 1.045 137 V CA 0.432 62.529 62.300 -0.339 0.000 0.899 137 V CB 0.881 32.412 31.823 -0.487 0.000 1.006 137 V HN 1.021 nan 8.190 nan 0.000 0.470 138 V N 2.095 121.610 119.914 -0.664 0.000 2.878 138 V HA 0.178 4.298 4.120 -0.000 0.000 0.250 138 V C 0.446 176.211 176.094 -0.549 0.000 1.075 138 V CA 1.169 62.754 62.300 -1.191 0.000 1.096 138 V CB -0.679 30.300 31.823 -1.405 0.000 0.724 138 V HN 0.976 nan 8.190 nan 0.000 0.467 139 Q N 0.471 120.110 119.800 -0.267 0.000 2.702 139 Q HA 0.631 4.971 4.340 -0.000 0.000 0.289 139 Q C -1.383 174.692 176.000 0.124 0.000 0.923 139 Q CA -0.136 55.693 55.803 0.044 0.000 0.787 139 Q CB 1.794 30.601 28.738 0.116 0.000 1.476 139 Q HN 0.577 nan 8.270 nan 0.000 0.402 140 S N 0.792 116.695 115.700 0.339 0.000 2.537 140 S HA 0.869 5.339 4.470 -0.000 0.000 0.270 140 S C -0.894 173.865 174.600 0.264 0.000 1.142 140 S CA -0.817 57.558 58.200 0.292 0.000 0.870 140 S CB 1.558 65.009 63.200 0.419 0.000 1.112 140 S HN 0.711 nan 8.310 nan 0.000 0.466 141 M N 1.968 121.651 119.600 0.139 0.000 2.569 141 M HA 0.472 4.952 4.480 -0.000 0.000 0.279 141 M C -2.079 174.283 176.300 0.104 0.000 1.253 141 M CA -0.558 54.800 55.300 0.097 0.000 0.867 141 M CB 2.595 35.247 32.600 0.087 0.000 1.727 141 M HN 0.846 nan 8.290 nan 0.000 0.467 142 Y N 2.124 122.389 120.300 -0.058 0.000 2.328 142 Y HA 0.687 5.237 4.550 -0.000 0.000 0.336 142 Y C -1.386 174.405 175.900 -0.181 0.000 0.960 142 Y CA -0.633 57.377 58.100 -0.150 0.000 1.134 142 Y CB 1.025 39.290 38.460 -0.325 0.000 1.166 142 Y HN 0.540 nan 8.280 nan 0.000 0.464 143 I N 7.450 127.789 120.570 -0.385 0.000 2.362 143 I HA 0.183 4.353 4.170 -0.000 0.000 0.289 143 I C -0.190 175.788 176.117 -0.232 0.000 0.994 143 I CA -0.281 60.936 61.300 -0.139 0.000 1.158 143 I CB 1.172 39.159 38.000 -0.022 0.000 1.315 143 I HN 0.683 nan 8.210 nan 0.000 0.451 144 F N 3.256 123.259 119.950 0.089 0.000 2.179 144 F HA 0.090 4.617 4.527 -0.000 0.000 0.292 144 F C 1.099 176.929 175.800 0.049 0.000 1.089 144 F CA 0.252 58.316 58.000 0.106 0.000 1.295 144 F CB 0.068 39.166 39.000 0.163 0.000 1.041 144 F HN 0.312 nan 8.300 nan 0.000 0.487 145 K N 2.102 122.643 120.400 0.236 0.000 3.619 145 K HA -0.162 4.158 4.320 -0.000 0.000 0.275 145 K C -0.659 175.963 176.600 0.036 0.000 0.993 145 K CA 0.160 56.515 56.287 0.114 0.000 0.787 145 K CB -1.325 31.230 32.500 0.093 0.000 1.431 145 K HN 0.365 nan 8.250 nan 0.000 0.451 146 Q N -0.321 119.465 119.800 -0.024 0.000 2.414 146 Q HA 0.026 4.366 4.340 -0.000 0.000 0.288 146 Q C -2.035 173.728 176.000 -0.394 0.000 1.086 146 Q CA -0.957 54.707 55.803 -0.231 0.000 0.943 146 Q CB -0.114 28.335 28.738 -0.481 0.000 1.282 146 Q HN 0.157 nan 8.270 nan 0.000 0.438 147 P HA -0.050 nan 4.420 nan 0.000 0.269 147 P C -0.011 177.029 177.300 -0.434 0.000 1.209 147 P CA 0.369 63.236 63.100 -0.388 0.000 0.776 147 P CB 0.437 31.971 31.700 -0.275 0.000 0.876 148 H N 0.402 119.390 119.070 -0.137 0.000 5.117 148 H HA -0.251 4.305 4.556 -0.000 0.000 0.074 148 H C 0.926 176.279 175.328 0.041 0.000 0.550 148 H CA 2.604 58.634 56.048 -0.029 0.000 1.091 148 H CB -1.831 27.965 29.762 0.057 0.000 0.520 148 H HN 0.671 nan 8.280 nan 0.000 0.712 149 F N 0.145 120.182 119.950 0.145 0.000 2.746 149 F HA 0.581 5.108 4.527 -0.000 0.000 0.320 149 F C 1.422 177.274 175.800 0.086 0.000 1.097 149 F CA 0.085 58.146 58.000 0.101 0.000 1.195 149 F CB 0.076 39.129 39.000 0.088 0.000 1.056 149 F HN 0.184 nan 8.300 nan 0.000 0.562 150 G N 2.006 110.710 108.800 -0.159 0.000 2.101 150 G HA2 0.265 4.225 3.960 -0.000 0.000 0.262 150 G HA3 0.265 4.225 3.960 -0.000 0.000 0.262 150 G C 0.738 175.699 174.900 0.101 0.000 1.041 150 G CA 0.119 45.205 45.100 -0.023 0.000 1.002 150 G HN 0.678 nan 8.290 nan 0.000 0.403 151 G N 2.513 111.414 108.800 0.168 0.000 2.321 151 G HA2 0.359 4.319 3.960 -0.000 0.000 0.237 151 G HA3 0.359 4.319 3.960 -0.000 0.000 0.237 151 G C 0.554 175.503 174.900 0.081 0.000 1.282 151 G CA 0.106 45.287 45.100 0.135 0.000 0.886 151 G HN 0.975 nan 8.290 nan 0.000 0.528 152 E N -0.097 120.132 120.200 0.049 0.000 2.392 152 E HA 0.362 4.712 4.350 -0.000 0.000 0.256 152 E C -0.810 175.789 176.600 -0.002 0.000 1.145 152 E CA -0.800 55.606 56.400 0.009 0.000 0.929 152 E CB 1.239 30.922 29.700 -0.029 0.000 0.998 152 E HN 0.121 nan 8.360 nan 0.000 0.442 153 V N 2.606 122.507 119.914 -0.020 0.000 2.376 153 V HA 0.165 4.285 4.120 -0.000 0.000 0.287 153 V C -0.076 175.989 176.094 -0.050 0.000 1.015 153 V CA -0.628 61.650 62.300 -0.037 0.000 0.834 153 V CB 1.145 32.968 31.823 0.001 0.000 1.001 153 V HN 0.830 nan 8.190 nan 0.000 0.428 154 S N 5.845 121.510 115.700 -0.058 0.000 2.593 154 S HA 0.430 4.900 4.470 -0.000 0.000 0.269 154 S C -2.591 172.042 174.600 0.055 0.000 1.334 154 S CA -1.155 57.014 58.200 -0.051 0.000 1.015 154 S CB 0.350 63.517 63.200 -0.056 0.000 0.912 154 S HN 0.522 nan 8.310 nan 0.000 0.541 155 P HA 0.098 nan 4.420 nan 0.000 0.261 155 P C -0.142 177.262 177.300 0.173 0.000 1.173 155 P CA 0.815 63.965 63.100 0.083 0.000 0.760 155 P CB 0.049 31.830 31.700 0.135 0.000 0.783 156 H N 0.696 119.733 119.070 -0.054 0.000 2.887 156 H HA 0.410 4.966 4.556 -0.000 0.000 0.290 156 H C -1.601 173.738 175.328 0.018 0.000 1.429 156 H CA -0.924 55.133 56.048 0.014 0.000 1.137 156 H CB 0.755 30.584 29.762 0.111 0.000 1.824 156 H HN 0.333 nan 8.280 nan 0.000 0.520 157 Q N 0.202 120.103 119.800 0.168 0.000 2.337 157 Q HA 0.217 4.557 4.340 -0.000 0.000 0.270 157 Q C -0.366 175.888 176.000 0.422 0.000 1.043 157 Q CA -0.840 55.089 55.803 0.210 0.000 0.794 157 Q CB 2.479 31.330 28.738 0.188 0.000 1.281 157 Q HN 0.501 nan 8.270 nan 0.000 0.446 158 D N 1.649 122.327 120.400 0.464 0.000 2.178 158 D HA -0.136 4.504 4.640 -0.000 0.000 0.201 158 D C 1.511 178.025 176.300 0.356 0.000 0.980 158 D CA 1.240 55.528 54.000 0.481 0.000 0.842 158 D CB 0.074 41.105 40.800 0.386 0.000 0.948 158 D HN 0.687 nan 8.370 nan 0.000 0.472 159 A N 0.408 123.368 122.820 0.233 0.000 2.125 159 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 159 A C 2.356 180.027 177.584 0.146 0.000 1.156 159 A CA 1.153 53.256 52.037 0.111 0.000 0.671 159 A CB -0.350 18.665 19.000 0.026 0.000 0.794 159 A HN 0.095 nan 8.150 nan 0.000 0.459 160 S N -1.059 114.735 115.700 0.157 0.000 2.402 160 S HA -0.055 4.415 4.470 -0.000 0.000 0.229 160 S C 1.249 175.718 174.600 -0.218 0.000 1.021 160 S CA 1.469 59.641 58.200 -0.048 0.000 0.974 160 S CB -0.366 62.703 63.200 -0.218 0.000 0.800 160 S HN 0.671 nan 8.310 nan 0.000 0.484 161 F N 0.161 120.212 119.950 0.168 0.000 2.559 161 F HA 0.396 4.923 4.527 -0.000 0.000 0.286 161 F C 0.650 176.459 175.800 0.014 0.000 1.108 161 F CA 0.117 58.220 58.000 0.172 0.000 1.436 161 F CB 0.116 39.288 39.000 0.286 0.000 1.130 161 F HN -0.043 nan 8.300 nan 0.000 0.584 162 L N 0.591 121.890 121.223 0.127 0.000 2.719 162 L HA 0.267 4.607 4.340 -0.000 0.000 0.236 162 L C -0.983 175.724 176.870 -0.272 0.000 1.221 162 L CA -0.544 54.198 54.840 -0.162 0.000 1.048 162 L CB -0.344 41.733 42.059 0.031 0.000 1.364 162 L HN 0.045 nan 8.230 nan 0.000 0.447 163 Y N 2.004 122.038 120.300 -0.443 0.000 2.336 163 Y HA 0.435 4.985 4.550 -0.000 0.000 0.331 163 Y C 0.823 176.463 175.900 -0.433 0.000 1.211 163 Y CA -0.002 57.896 58.100 -0.336 0.000 1.346 163 Y CB 1.118 39.424 38.460 -0.257 0.000 1.271 163 Y HN 0.491 nan 8.280 nan 0.000 0.538 164 T N 1.415 115.675 114.554 -0.489 0.000 2.762 164 T HA 0.532 4.882 4.350 -0.000 0.000 0.301 164 T C -1.345 173.203 174.700 -0.255 0.000 1.299 164 T CA -1.222 60.741 62.100 -0.229 0.000 1.005 164 T CB 1.853 70.659 68.868 -0.102 0.000 1.377 164 T HN 0.599 nan 8.240 nan 0.000 0.504 165 E N 1.838 122.003 120.200 -0.058 0.000 2.244 165 E HA 0.448 4.798 4.350 -0.000 0.000 0.260 165 E C -2.568 174.029 176.600 -0.005 0.000 0.884 165 E CA -2.059 54.325 56.400 -0.025 0.000 0.777 165 E CB 2.631 32.363 29.700 0.054 0.000 1.197 165 E HN 0.491 nan 8.360 nan 0.000 0.416 166 P HA 0.219 nan 4.420 nan 0.000 0.302 166 P C -0.088 177.141 177.300 -0.119 0.000 1.307 166 P CA -0.533 62.534 63.100 -0.055 0.000 0.754 166 P CB 1.275 32.961 31.700 -0.024 0.000 1.298 167 L N -1.822 119.317 121.223 -0.140 0.000 2.505 167 L HA 0.354 4.694 4.340 -0.000 0.000 0.226 167 L C 1.715 178.542 176.870 -0.072 0.000 1.211 167 L CA 0.460 55.201 54.840 -0.165 0.000 0.828 167 L CB -0.805 41.168 42.059 -0.143 0.000 1.331 167 L HN 0.788 nan 8.230 nan 0.000 0.513 168 G N -0.027 108.741 108.800 -0.054 0.000 2.153 168 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.252 168 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.252 168 G C 0.804 175.658 174.900 -0.076 0.000 0.994 168 G CA 0.123 45.194 45.100 -0.048 0.000 0.698 168 G HN 0.503 nan 8.290 nan 0.000 0.521 169 R N -0.962 119.492 120.500 -0.076 0.000 2.437 169 R HA 0.345 4.685 4.340 -0.000 0.000 0.257 169 R C 0.450 176.739 176.300 -0.019 0.000 0.927 169 R CA 0.233 56.313 56.100 -0.032 0.000 1.078 169 R CB 0.681 30.979 30.300 -0.004 0.000 1.161 169 R HN 0.391 nan 8.270 nan 0.000 0.529 170 V N 2.215 122.102 119.914 -0.044 0.000 2.448 170 V HA 0.414 4.534 4.120 -0.000 0.000 0.295 170 V C -0.667 175.425 176.094 -0.002 0.000 1.025 170 V CA -1.020 61.290 62.300 0.017 0.000 0.859 170 V CB 2.049 33.909 31.823 0.062 0.000 0.988 170 V HN -0.032 nan 8.190 nan 0.000 0.431 171 L N 4.235 125.474 121.223 0.027 0.000 2.381 171 L HA 0.974 5.314 4.340 -0.000 0.000 0.268 171 L C 0.204 177.035 176.870 -0.065 0.000 0.997 171 L CA 0.117 54.955 54.840 -0.004 0.000 0.818 171 L CB 2.093 44.123 42.059 -0.048 0.000 1.310 171 L HN 0.691 nan 8.230 nan 0.000 0.416 172 G N 3.526 112.237 108.800 -0.148 0.000 2.379 172 G HA2 0.598 4.558 3.960 -0.000 0.000 0.327 172 G HA3 0.598 4.558 3.960 -0.000 0.000 0.327 172 G C -1.568 173.009 174.900 -0.538 0.000 1.145 172 G CA -0.472 44.278 45.100 -0.582 0.000 0.905 172 G HN 0.496 nan 8.290 nan 0.000 0.466 173 V N 2.244 121.664 119.914 -0.822 0.000 2.384 173 V HA 0.493 4.613 4.120 -0.000 0.000 0.287 173 V C -1.110 174.630 176.094 -0.591 0.000 1.020 173 V CA -0.692 61.124 62.300 -0.807 0.000 0.850 173 V CB 1.526 32.489 31.823 -1.434 0.000 0.987 173 V HN 0.776 nan 8.190 nan 0.000 0.436 174 W N 7.005 128.026 121.300 -0.464 0.000 2.538 174 W HA 0.768 5.428 4.660 -0.000 0.000 0.322 174 W C -1.027 175.377 176.519 -0.192 0.000 1.028 174 W CA -0.531 56.641 57.345 -0.288 0.000 1.228 174 W CB 1.282 30.643 29.460 -0.164 0.000 1.356 174 W HN 0.420 nan 8.180 nan 0.000 0.452 175 I N 6.073 126.352 120.570 -0.485 0.000 2.406 175 I HA 0.442 4.612 4.170 -0.000 0.000 0.290 175 I C 0.310 176.035 176.117 -0.653 0.000 0.999 175 I CA -1.169 59.931 61.300 -0.332 0.000 1.124 175 I CB 1.667 39.641 38.000 -0.043 0.000 1.289 175 I HN 0.550 nan 8.210 nan 0.000 0.441 176 A N 5.781 128.339 122.820 -0.437 0.000 2.396 176 A HA 0.363 4.683 4.320 -0.000 0.000 0.279 176 A C 0.884 178.365 177.584 -0.172 0.000 1.165 176 A CA -0.277 51.535 52.037 -0.376 0.000 0.824 176 A CB 0.513 19.503 19.000 -0.017 0.000 1.100 176 A HN 0.658 nan 8.150 nan 0.000 0.516 177 V N 2.612 122.409 119.914 -0.195 0.000 2.649 177 V HA -0.009 4.111 4.120 -0.000 0.000 0.248 177 V C 1.025 177.110 176.094 -0.015 0.000 1.054 177 V CA 1.609 63.872 62.300 -0.061 0.000 1.073 177 V CB -0.619 31.184 31.823 -0.033 0.000 0.699 177 V HN 0.890 nan 8.190 nan 0.000 0.463 178 E N -0.850 119.333 120.200 -0.028 0.000 2.378 178 E HA 0.317 4.667 4.350 -0.000 0.000 0.265 178 E C -1.286 175.331 176.600 0.029 0.000 0.932 178 E CA -1.000 55.408 56.400 0.014 0.000 0.795 178 E CB 1.031 30.746 29.700 0.025 0.000 1.296 178 E HN 0.089 nan 8.360 nan 0.000 0.438 179 D N 0.924 121.350 120.400 0.043 0.000 2.455 179 D HA 0.249 4.889 4.640 -0.000 0.000 0.241 179 D C -0.806 175.540 176.300 0.076 0.000 1.138 179 D CA 0.330 54.365 54.000 0.058 0.000 0.877 179 D CB 0.911 41.738 40.800 0.045 0.000 1.187 179 D HN 0.400 nan 8.370 nan 0.000 0.451 180 A N 2.068 124.953 122.820 0.110 0.000 2.287 180 A HA 0.619 4.939 4.320 -0.000 0.000 0.317 180 A C 0.355 177.977 177.584 0.063 0.000 1.220 180 A CA -0.577 51.538 52.037 0.129 0.000 0.835 180 A CB 0.800 19.957 19.000 0.262 0.000 1.180 180 A HN 0.543 nan 8.150 nan 0.000 0.500 181 T N -0.472 114.107 114.554 0.041 0.000 2.858 181 T HA 0.542 4.892 4.350 -0.000 0.000 0.285 181 T C 0.903 175.605 174.700 0.004 0.000 1.052 181 T CA -0.682 61.424 62.100 0.010 0.000 1.009 181 T CB 0.459 69.337 68.868 0.017 0.000 1.241 181 T HN 0.268 nan 8.240 nan 0.000 0.542 182 L N 0.093 121.313 121.223 -0.005 0.000 2.275 182 L HA 0.012 4.352 4.340 -0.000 0.000 0.215 182 L C 2.442 179.363 176.870 0.085 0.000 1.119 182 L CA 1.211 56.072 54.840 0.036 0.000 0.790 182 L CB -0.477 41.602 42.059 0.033 0.000 0.919 182 L HN 0.671 nan 8.230 nan 0.000 0.443 183 E N 0.177 120.409 120.200 0.053 0.000 2.122 183 E HA -0.102 4.248 4.350 -0.000 0.000 0.190 183 E C 1.318 177.940 176.600 0.038 0.000 0.977 183 E CA 0.739 57.167 56.400 0.047 0.000 0.820 183 E CB -0.152 29.566 29.700 0.030 0.000 0.770 183 E HN 0.492 nan 8.360 nan 0.000 0.462 184 N N -0.495 118.226 118.700 0.035 0.000 2.279 184 N HA 0.151 4.891 4.740 -0.000 0.000 0.226 184 N C 0.394 175.936 175.510 0.054 0.000 1.126 184 N CA 0.449 53.514 53.050 0.025 0.000 0.846 184 N CB 0.693 39.188 38.487 0.013 0.000 1.050 184 N HN 0.090 nan 8.380 nan 0.000 0.502 185 G N 0.089 108.939 108.800 0.083 0.000 2.207 185 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 185 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 185 G C 0.336 175.306 174.900 0.117 0.000 1.053 185 G CA -0.326 44.839 45.100 0.108 0.000 0.764 185 G HN 0.904 nan 8.290 nan 0.000 0.495 186 C N -0.523 118.827 119.300 0.084 0.000 2.745 186 C HA 0.703 5.163 4.460 -0.000 0.000 0.387 186 C C 1.590 176.540 174.990 -0.067 0.000 1.312 186 C CA -1.272 57.739 59.018 -0.012 0.000 2.204 186 C CB -0.171 27.505 27.740 -0.107 0.000 2.686 186 C HN 0.597 nan 8.230 nan 0.000 0.705 187 L N 0.512 121.574 121.223 -0.268 0.000 2.464 187 L HA 0.342 4.682 4.340 -0.000 0.000 0.264 187 L C -0.300 176.392 176.870 -0.296 0.000 1.199 187 L CA 0.231 54.870 54.840 -0.334 0.000 0.818 187 L CB 0.237 41.894 42.059 -0.670 0.000 1.102 187 L HN 0.749 nan 8.230 nan 0.000 0.473 188 W N 0.971 122.030 121.300 -0.402 0.000 2.998 188 W HA 0.569 5.229 4.660 -0.000 0.000 0.335 188 W C -0.882 175.484 176.519 -0.255 0.000 1.110 188 W CA -0.216 57.022 57.345 -0.180 0.000 1.230 188 W CB 1.355 30.752 29.460 -0.105 0.000 1.405 188 W HN 0.012 nan 8.180 nan 0.000 0.493 189 F N 2.414 122.423 119.950 0.099 0.000 2.593 189 F HA 0.625 5.152 4.527 -0.000 0.000 0.320 189 F C 0.000 175.780 175.800 -0.033 0.000 1.060 189 F CA -1.198 56.758 58.000 -0.074 0.000 0.940 189 F CB 1.458 39.997 39.000 -0.768 0.000 1.268 189 F HN -0.069 nan 8.300 nan 0.000 0.475 190 I N 3.766 124.369 120.570 0.055 0.000 2.337 190 I HA 0.283 4.453 4.170 -0.000 0.000 0.285 190 I C -2.460 173.721 176.117 0.107 0.000 1.041 190 I CA -2.011 59.219 61.300 -0.117 0.000 1.199 190 I CB 1.152 38.924 38.000 -0.381 0.000 1.370 190 I HN 0.163 nan 8.210 nan 0.000 0.470 191 P HA 0.028 nan 4.420 nan 0.000 0.265 191 P C 0.872 178.236 177.300 0.107 0.000 1.193 191 P CA 0.639 63.872 63.100 0.221 0.000 0.765 191 P CB 0.592 32.401 31.700 0.181 0.000 0.823 192 G N 2.531 111.408 108.800 0.128 0.000 2.153 192 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.252 192 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.252 192 G C 0.764 175.728 174.900 0.108 0.000 0.994 192 G CA 0.508 45.692 45.100 0.141 0.000 0.698 192 G HN 0.632 nan 8.290 nan 0.000 0.521 193 S N 0.230 116.026 115.700 0.160 0.000 2.634 193 S HA 0.168 4.638 4.470 -0.000 0.000 0.221 193 S C 1.369 176.023 174.600 0.090 0.000 0.952 193 S CA 0.631 58.873 58.200 0.069 0.000 0.930 193 S CB -0.280 62.938 63.200 0.030 0.000 0.780 193 S HN 0.966 nan 8.310 nan 0.000 0.498 194 H N 0.496 119.489 119.070 -0.129 0.000 2.505 194 H HA 0.272 4.828 4.556 -0.000 0.000 0.289 194 H C 0.823 176.009 175.328 -0.237 0.000 1.052 194 H CA 0.538 56.462 56.048 -0.207 0.000 1.156 194 H CB -0.914 28.555 29.762 -0.488 0.000 1.507 194 H HN 0.509 nan 8.280 nan 0.000 0.548 195 T N -3.378 110.927 114.554 -0.415 0.000 3.129 195 T HA 0.192 4.542 4.350 -0.000 0.000 0.267 195 T C 0.753 175.353 174.700 -0.166 0.000 1.018 195 T CA -0.076 61.809 62.100 -0.359 0.000 0.903 195 T CB -0.149 68.475 68.868 -0.405 0.000 1.067 195 T HN 0.157 nan 8.240 nan 0.000 0.549 196 S N 0.369 116.010 115.700 -0.098 0.000 2.809 196 S HA 0.601 5.071 4.470 -0.000 0.000 0.248 196 S C 1.029 175.620 174.600 -0.014 0.000 1.071 196 S CA 0.239 58.408 58.200 -0.052 0.000 1.059 196 S CB -0.756 62.418 63.200 -0.044 0.000 0.923 196 S HN 1.180 nan 8.310 nan 0.000 0.516 197 G N 0.898 109.697 108.800 -0.002 0.000 2.697 197 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.240 197 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.240 197 G C -0.222 174.709 174.900 0.053 0.000 1.346 197 G CA -0.218 44.899 45.100 0.029 0.000 0.887 197 G HN 1.531 nan 8.290 nan 0.000 0.569 198 V N -3.682 116.279 119.914 0.078 0.000 2.815 198 V HA 0.875 4.995 4.120 -0.000 0.000 0.314 198 V C 0.853 176.990 176.094 0.072 0.000 1.064 198 V CA 0.609 62.963 62.300 0.089 0.000 0.952 198 V CB 1.683 33.583 31.823 0.128 0.000 1.020 198 V HN 1.291 nan 8.190 nan 0.000 0.439 199 S N 1.783 117.513 115.700 0.050 0.000 2.470 199 S HA 0.252 4.722 4.470 -0.000 0.000 0.222 199 S C 0.701 175.314 174.600 0.021 0.000 1.024 199 S CA 0.342 58.560 58.200 0.029 0.000 0.931 199 S CB -0.086 63.123 63.200 0.016 0.000 0.791 199 S HN 0.860 nan 8.310 nan 0.000 0.513 200 R N 0.767 121.282 120.500 0.025 0.000 2.837 200 R HA 0.595 4.935 4.340 -0.000 0.000 0.271 200 R C -1.518 174.788 176.300 0.010 0.000 0.993 200 R CA -0.694 55.418 56.100 0.020 0.000 0.931 200 R CB 1.293 31.593 30.300 -0.000 0.000 1.206 200 R HN 0.022 nan 8.270 nan 0.000 0.474 201 R N 2.268 122.775 120.500 0.011 0.000 2.626 201 R HA 0.315 4.655 4.340 -0.000 0.000 0.274 201 R C -1.118 175.100 176.300 -0.135 0.000 1.031 201 R CA -0.807 55.236 56.100 -0.095 0.000 0.898 201 R CB 2.462 32.650 30.300 -0.187 0.000 1.222 201 R HN 0.538 nan 8.270 nan 0.000 0.455 202 M N 3.157 122.565 119.600 -0.319 0.000 2.264 202 M HA 0.497 4.977 4.480 -0.000 0.000 0.352 202 M C -1.334 174.816 176.300 -0.250 0.000 1.173 202 M CA -0.568 54.410 55.300 -0.537 0.000 1.075 202 M CB 1.410 33.690 32.600 -0.534 0.000 1.621 202 M HN 0.374 nan 8.290 nan 0.000 0.457 203 V N 4.405 124.176 119.914 -0.239 0.000 2.962 203 V HA 0.633 4.753 4.120 -0.000 0.000 0.313 203 V C -0.831 175.239 176.094 -0.041 0.000 1.099 203 V CA -0.965 61.270 62.300 -0.108 0.000 0.971 203 V CB 2.311 34.062 31.823 -0.120 0.000 1.028 203 V HN 0.961 nan 8.190 nan 0.000 0.430 204 R N 2.297 122.813 120.500 0.025 0.000 2.664 204 R HA 0.879 5.219 4.340 -0.000 0.000 0.286 204 R C -0.182 176.138 176.300 0.033 0.000 0.967 204 R CA -0.473 55.666 56.100 0.064 0.000 0.933 204 R CB 1.764 32.151 30.300 0.145 0.000 1.146 204 R HN 0.842 nan 8.270 nan 0.000 0.468 205 A N 4.403 127.244 122.820 0.034 0.000 2.546 205 A HA 0.215 4.535 4.320 -0.000 0.000 0.243 205 A C -1.622 175.977 177.584 0.026 0.000 1.063 205 A CA -0.879 51.171 52.037 0.022 0.000 0.757 205 A CB -0.478 18.537 19.000 0.025 0.000 0.991 205 A HN 0.772 nan 8.150 nan 0.000 0.503 206 P HA 0.194 nan 4.420 nan 0.000 0.302 206 P C -0.195 177.116 177.300 0.018 0.000 1.301 206 P CA -0.486 62.623 63.100 0.015 0.000 0.745 206 P CB 0.204 31.907 31.700 0.005 0.000 1.331 207 V N -0.538 119.385 119.914 0.016 0.000 2.557 207 V HA 0.323 4.443 4.120 -0.000 0.000 0.301 207 V C 1.481 177.583 176.094 0.013 0.000 1.026 207 V CA 1.693 64.002 62.300 0.016 0.000 1.137 207 V CB -0.750 31.081 31.823 0.013 0.000 0.917 207 V HN 1.097 nan 8.190 nan 0.000 0.484 208 G N 2.563 111.373 108.800 0.015 0.000 2.321 208 G HA2 0.087 4.047 3.960 -0.000 0.000 0.219 208 G HA3 0.087 4.047 3.960 -0.000 0.000 0.219 208 G C 0.087 174.996 174.900 0.016 0.000 1.057 208 G CA 0.574 45.682 45.100 0.013 0.000 0.849 208 G HN 1.304 nan 8.290 nan 0.000 0.520 209 S N -0.348 115.364 115.700 0.020 0.000 4.054 209 S HA 0.020 4.490 4.470 -0.000 0.000 0.618 209 S C 1.902 176.517 174.600 0.025 0.000 2.026 209 S CA 2.782 60.996 58.200 0.023 0.000 4.205 209 S CB -1.246 61.966 63.200 0.020 0.000 0.233 209 S HN 2.593 nan 8.310 nan 0.000 0.612 210 A N 0.617 123.450 122.820 0.022 0.000 2.208 210 A HA -0.057 4.263 4.320 -0.000 0.000 0.277 210 A C -1.931 175.671 177.584 0.029 0.000 1.377 210 A CA 1.041 53.090 52.037 0.021 0.000 0.758 210 A CB -1.847 17.162 19.000 0.015 0.000 1.122 210 A HN 0.574 nan 8.150 nan 0.000 0.350 211 P HA 0.479 nan 4.420 nan 0.000 0.271 211 P C 0.733 178.066 177.300 0.055 0.000 1.226 211 P CA 1.159 64.291 63.100 0.053 0.000 0.765 211 P CB 1.157 32.893 31.700 0.060 0.000 0.835 212 G N 1.225 110.064 108.800 0.065 0.000 2.356 212 G HA2 0.537 4.497 3.960 -0.000 0.000 0.294 212 G HA3 0.537 4.497 3.960 -0.000 0.000 0.294 212 G C -1.358 173.575 174.900 0.056 0.000 1.423 212 G CA -0.532 44.603 45.100 0.059 0.000 0.806 212 G HN 0.556 nan 8.290 nan 0.000 0.527 213 T N -2.209 112.362 114.554 0.027 0.000 2.916 213 T HA 0.932 5.282 4.350 -0.000 0.000 0.292 213 T C -0.000 174.643 174.700 -0.094 0.000 1.064 213 T CA 0.175 62.257 62.100 -0.029 0.000 1.011 213 T CB 1.786 70.633 68.868 -0.035 0.000 1.152 213 T HN 2.249 nan 8.240 nan 0.000 0.510 214 S N 0.051 115.626 115.700 -0.209 0.000 2.615 214 S HA 0.714 5.184 4.470 -0.000 0.000 0.268 214 S C -1.796 172.589 174.600 -0.358 0.000 1.146 214 S CA -1.138 56.962 58.200 -0.168 0.000 0.818 214 S CB 0.521 63.698 63.200 -0.038 0.000 1.111 214 S HN 0.636 nan 8.310 nan 0.000 0.465 215 F N 0.357 120.289 119.950 -0.030 0.000 2.507 215 F HA 0.715 5.242 4.527 -0.000 0.000 0.327 215 F C -0.146 175.616 175.800 -0.062 0.000 1.068 215 F CA -0.928 57.037 58.000 -0.058 0.000 0.965 215 F CB 1.427 40.388 39.000 -0.064 0.000 1.192 215 F HN 0.446 nan 8.300 nan 0.000 0.476 216 L N 1.743 123.032 121.223 0.109 0.000 2.341 216 L HA 0.747 5.087 4.340 -0.000 0.000 0.278 216 L C 0.447 177.341 176.870 0.041 0.000 1.005 216 L CA -0.598 54.259 54.840 0.028 0.000 0.818 216 L CB 1.285 43.314 42.059 -0.049 0.000 1.259 216 L HN 0.891 nan 8.230 nan 0.000 0.418 217 G N 2.902 111.714 108.800 0.020 0.000 2.698 217 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.233 217 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.233 217 G C -0.492 174.409 174.900 0.002 0.000 1.352 217 G CA -0.179 44.925 45.100 0.007 0.000 0.879 217 G HN 1.094 nan 8.290 nan 0.000 0.567 218 S N -1.391 114.297 115.700 -0.020 0.000 2.552 218 S HA 0.576 5.046 4.470 -0.000 0.000 0.272 218 S C -1.104 173.465 174.600 -0.052 0.000 1.150 218 S CA -0.584 57.581 58.200 -0.059 0.000 0.849 218 S CB 2.238 65.403 63.200 -0.058 0.000 1.113 218 S HN 0.922 nan 8.310 nan 0.000 0.458 219 E N 3.148 123.302 120.200 -0.077 0.000 2.328 219 E HA 0.255 4.605 4.350 -0.000 0.000 0.265 219 E C -2.027 174.558 176.600 -0.025 0.000 1.057 219 E CA -1.309 55.067 56.400 -0.040 0.000 0.916 219 E CB 0.116 29.791 29.700 -0.042 0.000 0.993 219 E HN 0.508 nan 8.360 nan 0.000 0.446 220 P HA 0.131 nan 4.420 nan 0.000 0.276 220 P C -0.627 176.675 177.300 0.002 0.000 1.243 220 P CA -0.373 62.724 63.100 -0.006 0.000 0.768 220 P CB 0.814 32.512 31.700 -0.003 0.000 0.856 221 A N 5.358 128.177 122.820 -0.002 0.000 2.546 221 A HA 0.230 4.550 4.320 -0.000 0.000 0.243 221 A C 0.776 178.371 177.584 0.018 0.000 1.063 221 A CA -0.067 51.975 52.037 0.008 0.000 0.757 221 A CB -0.171 18.828 19.000 -0.002 0.000 0.991 221 A HN 0.675 nan 8.150 nan 0.000 0.503 222 R N 2.130 122.656 120.500 0.043 0.000 2.854 222 R HA 0.473 4.813 4.340 -0.000 0.000 0.271 222 R C -1.124 175.213 176.300 0.061 0.000 0.996 222 R CA -0.997 55.124 56.100 0.035 0.000 0.961 222 R CB 1.018 31.326 30.300 0.013 0.000 1.182 222 R HN 0.533 nan 8.270 nan 0.000 0.479 223 D N 1.916 122.333 120.400 0.028 0.000 2.383 223 D HA -0.102 4.538 4.640 -0.000 0.000 0.275 223 D C 0.604 176.967 176.300 0.105 0.000 1.344 223 D CA 0.360 54.385 54.000 0.042 0.000 0.984 223 D CB 0.485 41.293 40.800 0.014 0.000 1.104 223 D HN 0.620 nan 8.370 nan 0.000 0.524 224 N N 2.555 121.341 118.700 0.144 0.000 2.184 224 N HA -0.246 4.494 4.740 -0.000 0.000 0.190 224 N C 1.427 177.075 175.510 0.229 0.000 1.011 224 N CA 1.607 54.792 53.050 0.225 0.000 0.867 224 N CB 0.098 38.600 38.487 0.024 0.000 0.993 224 N HN 0.403 nan 8.380 nan 0.000 0.433 225 S N 0.009 115.782 115.700 0.122 0.000 2.507 225 S HA -0.006 4.464 4.470 -0.000 0.000 0.235 225 S C 2.055 176.734 174.600 0.131 0.000 0.988 225 S CA 0.243 58.511 58.200 0.114 0.000 0.944 225 S CB -0.394 62.848 63.200 0.069 0.000 0.762 225 S HN 0.359 nan 8.310 nan 0.000 0.526 226 L N -0.334 120.942 121.223 0.089 0.000 2.478 226 L HA 0.283 4.622 4.340 -0.000 0.000 0.223 226 L C 0.085 176.942 176.870 -0.021 0.000 1.140 226 L CA 0.048 54.882 54.840 -0.010 0.000 0.842 226 L CB -0.337 41.645 42.059 -0.128 0.000 0.953 226 L HN 0.252 nan 8.230 nan 0.000 0.452 227 F N -0.286 119.738 119.950 0.123 0.000 2.412 227 F HA 0.224 4.751 4.527 -0.000 0.000 0.348 227 F C 0.311 176.350 175.800 0.399 0.000 1.102 227 F CA -0.236 57.903 58.000 0.233 0.000 1.196 227 F CB 0.928 40.036 39.000 0.179 0.000 1.144 227 F HN -0.407 nan 8.300 nan 0.000 0.541 228 V N 5.490 125.701 119.914 0.495 0.000 2.417 228 V HA 0.368 4.488 4.120 -0.000 0.000 0.291 228 V C -2.085 174.027 176.094 0.029 0.000 1.024 228 V CA -2.005 60.459 62.300 0.273 0.000 0.861 228 V CB 1.710 33.639 31.823 0.177 0.000 0.985 228 V HN 0.520 nan 8.190 nan 0.000 0.436 229 P HA 0.205 nan 4.420 nan 0.000 0.275 229 P C -0.236 176.745 177.300 -0.532 0.000 1.228 229 P CA -0.058 62.321 63.100 -1.201 0.000 0.786 229 P CB 1.079 31.752 31.700 -1.713 0.000 0.927 230 T N -0.729 113.553 114.554 -0.454 0.000 3.466 230 T HA 0.352 4.702 4.350 -0.000 0.000 0.297 230 T C -2.322 172.264 174.700 -0.190 0.000 1.640 230 T CA -2.192 59.776 62.100 -0.221 0.000 1.631 230 T CB -0.069 68.730 68.868 -0.114 0.000 0.928 230 T HN 0.229 nan 8.240 nan 0.000 0.688 231 P HA 0.404 nan 4.420 nan 0.000 0.271 231 P C -0.130 177.158 177.300 -0.020 0.000 1.216 231 P CA -0.207 62.836 63.100 -0.095 0.000 0.776 231 P CB 1.509 33.151 31.700 -0.096 0.000 0.881 232 V N -0.449 119.492 119.914 0.045 0.000 3.159 232 V HA 0.489 4.609 4.120 -0.000 0.000 0.308 232 V C -0.582 175.567 176.094 0.092 0.000 1.190 232 V CA -1.027 61.322 62.300 0.082 0.000 1.037 232 V CB 2.110 34.021 31.823 0.147 0.000 1.060 232 V HN 0.336 nan 8.190 nan 0.000 0.437 233 Q N 1.121 120.968 119.800 0.079 0.000 2.260 233 Q HA 0.430 4.770 4.340 -0.000 0.000 0.238 233 Q C 0.044 176.090 176.000 0.077 0.000 0.948 233 Q CA -0.616 55.227 55.803 0.067 0.000 0.895 233 Q CB 1.315 30.083 28.738 0.051 0.000 1.218 233 Q HN 0.869 nan 8.270 nan 0.000 0.470 234 R N -0.425 120.110 120.500 0.059 0.000 2.566 234 R HA 0.033 4.373 4.340 -0.000 0.000 0.273 234 R C 0.786 177.121 176.300 0.059 0.000 0.981 234 R CA 1.594 57.723 56.100 0.049 0.000 1.091 234 R CB -0.231 30.091 30.300 0.037 0.000 0.924 234 R HN 0.891 nan 8.270 nan 0.000 0.411 235 G N 1.689 110.526 108.800 0.061 0.000 2.195 235 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.246 235 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.246 235 G C 0.115 175.101 174.900 0.144 0.000 0.984 235 G CA 0.088 45.242 45.100 0.091 0.000 0.633 235 G HN 0.976 nan 8.290 nan 0.000 0.525 236 A N -0.033 122.867 122.820 0.134 0.000 2.407 236 A HA 0.721 5.041 4.320 -0.000 0.000 0.248 236 A C 0.162 177.841 177.584 0.160 0.000 1.082 236 A CA 0.513 52.647 52.037 0.161 0.000 0.785 236 A CB 0.811 19.905 19.000 0.157 0.000 1.020 236 A HN 1.457 nan 8.150 nan 0.000 0.489 237 L N 2.776 124.060 121.223 0.102 0.000 2.346 237 L HA 0.695 5.035 4.340 -0.000 0.000 0.276 237 L C -1.277 175.571 176.870 -0.036 0.000 1.006 237 L CA -0.676 54.130 54.840 -0.056 0.000 0.817 237 L CB 1.901 43.661 42.059 -0.499 0.000 1.272 237 L HN 0.423 nan 8.230 nan 0.000 0.421 238 V N 5.649 125.590 119.914 0.045 0.000 2.444 238 V HA 0.346 4.466 4.120 -0.000 0.000 0.294 238 V C -0.196 175.843 176.094 -0.091 0.000 1.022 238 V CA -0.566 61.743 62.300 0.014 0.000 0.850 238 V CB 1.647 33.525 31.823 0.091 0.000 0.992 238 V HN 0.546 nan 8.190 nan 0.000 0.426 239 L N 6.307 127.416 121.223 -0.191 0.000 2.349 239 L HA 0.533 4.873 4.340 -0.000 0.000 0.275 239 L C -0.312 176.533 176.870 -0.041 0.000 1.115 239 L CA 0.463 55.140 54.840 -0.272 0.000 0.820 239 L CB 0.938 42.627 42.059 -0.617 0.000 1.135 239 L HN 0.495 nan 8.230 nan 0.000 0.445 240 I N 4.425 125.003 120.570 0.014 0.000 2.439 240 I HA 0.212 4.382 4.170 -0.000 0.000 0.283 240 I C -0.350 175.907 176.117 0.235 0.000 1.023 240 I CA -0.775 60.608 61.300 0.138 0.000 1.100 240 I CB 1.089 39.093 38.000 0.006 0.000 1.238 240 I HN 0.538 nan 8.210 nan 0.000 0.445 241 H N 5.135 124.334 119.070 0.215 0.000 2.897 241 H HA 0.045 4.601 4.556 -0.000 0.000 0.347 241 H C 1.183 176.598 175.328 0.144 0.000 1.068 241 H CA 0.973 57.100 56.048 0.131 0.000 1.426 241 H CB 1.731 31.380 29.762 -0.189 0.000 1.410 241 H HN 0.831 nan 8.280 nan 0.000 0.597 242 G N 3.645 112.405 108.800 -0.067 0.000 2.499 242 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.221 242 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.221 242 G C 1.038 176.106 174.900 0.281 0.000 1.109 242 G CA 0.739 45.909 45.100 0.117 0.000 0.749 242 G HN 0.655 nan 8.290 nan 0.000 0.568 243 E N -1.222 119.291 120.200 0.521 0.000 2.526 243 E HA 0.269 4.619 4.350 -0.000 0.000 0.208 243 E C 0.316 177.100 176.600 0.308 0.000 0.997 243 E CA -0.403 56.212 56.400 0.358 0.000 0.961 243 E CB 1.222 31.098 29.700 0.294 0.000 1.030 243 E HN 0.141 nan 8.360 nan 0.000 0.483 244 V N 1.554 121.677 119.914 0.350 0.000 2.614 244 V HA 0.083 4.203 4.120 -0.000 0.000 0.291 244 V C -0.041 176.245 176.094 0.321 0.000 1.049 244 V CA -0.456 62.013 62.300 0.282 0.000 1.038 244 V CB 1.078 33.052 31.823 0.250 0.000 0.980 244 V HN -0.102 nan 8.190 nan 0.000 0.481 245 V N 8.377 128.418 119.914 0.211 0.000 2.455 245 V HA 0.405 4.525 4.120 -0.000 0.000 0.273 245 V C 0.150 176.347 176.094 0.171 0.000 1.045 245 V CA -0.150 62.223 62.300 0.123 0.000 0.976 245 V CB 0.372 32.206 31.823 0.019 0.000 0.993 245 V HN 1.070 nan 8.190 nan 0.000 0.475 246 H N 4.093 123.073 119.070 -0.149 0.000 2.980 246 H HA 0.828 5.384 4.556 -0.000 0.000 0.367 246 H C -1.000 174.188 175.328 -0.234 0.000 1.206 246 H CA -1.282 54.573 56.048 -0.321 0.000 1.126 246 H CB 2.444 31.642 29.762 -0.940 0.000 1.838 246 H HN 0.668 nan 8.280 nan 0.000 0.552 247 K N 0.175 120.468 120.400 -0.178 0.000 2.556 247 K HA 0.624 4.944 4.320 -0.000 0.000 0.289 247 K C -1.580 174.956 176.600 -0.106 0.000 1.040 247 K CA -0.843 55.342 56.287 -0.170 0.000 0.894 247 K CB 2.068 34.360 32.500 -0.346 0.000 1.547 247 K HN 0.798 nan 8.250 nan 0.000 0.417 248 S N 0.017 115.673 115.700 -0.074 0.000 2.543 248 S HA 0.434 4.904 4.470 -0.000 0.000 0.271 248 S C -1.072 173.510 174.600 -0.031 0.000 1.148 248 S CA -1.115 57.099 58.200 0.024 0.000 0.914 248 S CB 1.529 64.759 63.200 0.049 0.000 1.096 248 S HN 0.618 nan 8.310 nan 0.000 0.471 249 K N 1.301 121.697 120.400 -0.007 0.000 2.120 249 K HA 0.271 4.591 4.320 -0.000 0.000 0.245 249 K C 0.327 176.935 176.600 0.013 0.000 1.024 249 K CA -0.670 55.587 56.287 -0.049 0.000 0.906 249 K CB 0.462 32.930 32.500 -0.053 0.000 1.051 249 K HN 0.746 nan 8.250 nan 0.000 0.491 250 Q N 1.393 121.196 119.800 0.006 0.000 2.395 250 Q HA -0.072 4.268 4.340 -0.000 0.000 0.271 250 Q C -0.438 175.583 176.000 0.036 0.000 1.026 250 Q CA -0.105 55.719 55.803 0.035 0.000 0.900 250 Q CB 0.556 29.321 28.738 0.044 0.000 1.266 250 Q HN 0.332 nan 8.270 nan 0.000 0.430 251 N N 4.156 122.869 118.700 0.023 0.000 2.415 251 N HA 0.078 4.818 4.740 -0.000 0.000 0.246 251 N C -0.316 175.173 175.510 -0.035 0.000 1.078 251 N CA 0.173 53.216 53.050 -0.012 0.000 0.942 251 N CB 0.308 38.766 38.487 -0.048 0.000 1.140 251 N HN 0.670 nan 8.380 nan 0.000 0.501 252 L N 1.406 122.623 121.223 -0.010 0.000 2.628 252 L HA 0.147 4.487 4.340 -0.000 0.000 0.229 252 L C 1.111 177.949 176.870 -0.053 0.000 1.137 252 L CA -0.204 54.648 54.840 0.020 0.000 0.909 252 L CB -0.425 41.672 42.059 0.064 0.000 1.137 252 L HN 0.457 nan 8.230 nan 0.000 0.470 253 S N -2.002 113.602 115.700 -0.160 0.000 2.713 253 S HA 0.200 4.670 4.470 -0.000 0.000 0.277 253 S C 0.637 174.937 174.600 -0.501 0.000 1.168 253 S CA -0.634 57.447 58.200 -0.198 0.000 0.994 253 S CB 1.395 64.538 63.200 -0.095 0.000 1.054 253 S HN 0.059 nan 8.310 nan 0.000 0.555 254 D N 0.460 120.695 120.400 -0.275 0.000 2.323 254 D HA 0.067 4.707 4.640 -0.000 0.000 0.209 254 D C 0.698 176.916 176.300 -0.137 0.000 0.973 254 D CA 0.488 54.361 54.000 -0.212 0.000 0.874 254 D CB -0.004 40.810 40.800 0.022 0.000 0.930 254 D HN 0.544 nan 8.370 nan 0.000 0.521 255 R N 1.001 121.437 120.500 -0.108 0.000 2.598 255 R HA 0.480 4.820 4.340 -0.000 0.000 0.279 255 R C 0.358 176.624 176.300 -0.057 0.000 0.984 255 R CA -0.513 55.557 56.100 -0.049 0.000 0.999 255 R CB 0.768 31.061 30.300 -0.012 0.000 1.114 255 R HN -0.140 nan 8.270 nan 0.000 0.493 256 S N 0.905 116.600 115.700 -0.008 0.000 2.661 256 S HA 0.302 4.772 4.470 -0.000 0.000 0.265 256 S C 0.294 174.913 174.600 0.033 0.000 1.225 256 S CA -0.856 57.355 58.200 0.018 0.000 0.986 256 S CB 1.130 64.387 63.200 0.094 0.000 1.008 256 S HN 0.732 nan 8.310 nan 0.000 0.565 257 R N 0.878 121.408 120.500 0.049 0.000 2.674 257 R HA 0.176 4.516 4.340 -0.000 0.000 0.270 257 R C -0.846 175.454 176.300 -0.001 0.000 1.492 257 R CA -0.140 55.988 56.100 0.047 0.000 1.624 257 R CB 0.189 30.538 30.300 0.081 0.000 1.307 257 R HN 0.790 nan 8.270 nan 0.000 0.683 258 Q N 0.864 120.635 119.800 -0.048 0.000 2.330 258 Q HA 0.359 4.699 4.340 -0.000 0.000 0.279 258 Q C -0.560 175.180 176.000 -0.432 0.000 1.024 258 Q CA 0.458 56.115 55.803 -0.243 0.000 0.900 258 Q CB 1.457 30.131 28.738 -0.108 0.000 1.221 258 Q HN 0.491 nan 8.270 nan 0.000 0.396 259 A N 2.709 125.088 122.820 -0.735 0.000 2.520 259 A HA 0.482 4.802 4.320 -0.000 0.000 0.298 259 A C -2.152 174.920 177.584 -0.853 0.000 1.051 259 A CA -0.588 50.939 52.037 -0.850 0.000 0.690 259 A CB 1.151 19.469 19.000 -1.136 0.000 1.281 259 A HN 0.642 nan 8.150 nan 0.000 0.402 260 Y N 1.864 121.747 120.300 -0.694 0.000 2.335 260 Y HA 0.662 5.212 4.550 -0.000 0.000 0.338 260 Y C 0.260 176.011 175.900 -0.249 0.000 0.977 260 Y CA -0.146 57.758 58.100 -0.326 0.000 1.114 260 Y CB 1.687 40.207 38.460 0.101 0.000 1.182 260 Y HN 0.959 nan 8.280 nan 0.000 0.463 261 T N 4.022 118.173 114.554 -0.672 0.000 2.906 261 T HA 0.836 5.186 4.350 -0.000 0.000 0.295 261 T C -1.196 173.217 174.700 -0.479 0.000 1.075 261 T CA -0.670 61.094 62.100 -0.560 0.000 1.005 261 T CB 1.823 70.571 68.868 -0.200 0.000 1.136 261 T HN 0.721 nan 8.240 nan 0.000 0.498 262 F N -1.251 118.404 119.950 -0.491 0.000 2.678 262 F HA 0.744 5.271 4.527 -0.000 0.000 0.308 262 F C -1.534 174.047 175.800 -0.365 0.000 1.118 262 F CA -1.288 56.510 58.000 -0.338 0.000 0.959 262 F CB 0.931 39.709 39.000 -0.371 0.000 1.305 262 F HN 0.727 nan 8.300 nan 0.000 0.443 263 H N 2.499 121.555 119.070 -0.023 0.000 2.495 263 H HA 0.716 5.272 4.556 -0.000 0.000 0.348 263 H C -0.994 174.280 175.328 -0.090 0.000 1.113 263 H CA -0.712 55.286 56.048 -0.083 0.000 1.195 263 H CB 1.758 31.499 29.762 -0.035 0.000 1.521 263 H HN 0.491 nan 8.280 nan 0.000 0.509 264 L N 2.875 124.095 121.223 -0.005 0.000 2.331 264 L HA 0.466 4.806 4.340 -0.000 0.000 0.275 264 L C -0.050 176.795 176.870 -0.042 0.000 1.022 264 L CA -0.529 54.278 54.840 -0.054 0.000 0.812 264 L CB 1.233 43.256 42.059 -0.061 0.000 1.257 264 L HN 0.714 nan 8.230 nan 0.000 0.435 265 M N 2.068 121.622 119.600 -0.077 0.000 2.326 265 M HA 0.397 4.877 4.480 -0.000 0.000 0.306 265 M C -0.637 175.654 176.300 -0.015 0.000 1.054 265 M CA -0.750 54.541 55.300 -0.014 0.000 0.922 265 M CB 1.992 34.599 32.600 0.012 0.000 1.632 265 M HN 0.588 nan 8.290 nan 0.000 0.436 266 E N 3.961 124.166 120.200 0.008 0.000 2.104 266 E HA 0.327 4.677 4.350 -0.000 0.000 0.278 266 E C 0.331 176.954 176.600 0.038 0.000 1.127 266 E CA 0.395 56.802 56.400 0.011 0.000 0.897 266 E CB 0.904 30.616 29.700 0.019 0.000 1.043 266 E HN 0.713 nan 8.360 nan 0.000 0.410 267 A N 3.823 126.664 122.820 0.035 0.000 2.066 267 A HA -0.044 4.276 4.320 -0.000 0.000 0.218 267 A C 1.380 178.999 177.584 0.058 0.000 1.157 267 A CA 0.673 52.745 52.037 0.060 0.000 0.670 267 A CB -0.134 18.897 19.000 0.052 0.000 0.804 267 A HN 0.522 nan 8.150 nan 0.000 0.453 268 S N 0.316 116.045 115.700 0.048 0.000 2.506 268 S HA 0.380 4.850 4.470 -0.000 0.000 0.291 268 S C 1.225 175.852 174.600 0.046 0.000 1.230 268 S CA 0.604 58.833 58.200 0.048 0.000 1.107 268 S CB -0.696 62.534 63.200 0.049 0.000 0.942 268 S HN 1.797 nan 8.310 nan 0.000 0.502 269 G N 4.168 112.995 108.800 0.045 0.000 2.249 269 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.273 269 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.273 269 G C 0.098 175.025 174.900 0.046 0.000 1.036 269 G CA 0.476 45.601 45.100 0.042 0.000 0.824 269 G HN 0.843 nan 8.290 nan 0.000 0.504 270 T N 0.092 114.682 114.554 0.061 0.000 2.893 270 T HA 0.727 5.077 4.350 -0.000 0.000 0.291 270 T C 0.112 174.875 174.700 0.105 0.000 1.028 270 T CA 0.198 62.342 62.100 0.073 0.000 0.995 270 T CB 2.029 70.946 68.868 0.082 0.000 1.051 270 T HN 0.889 nan 8.240 nan 0.000 0.470 271 T N -0.034 114.587 114.554 0.111 0.000 2.815 271 T HA 0.392 4.742 4.350 -0.000 0.000 0.289 271 T C -0.689 174.131 174.700 0.200 0.000 1.000 271 T CA -0.829 61.359 62.100 0.147 0.000 0.958 271 T CB 0.837 69.766 68.868 0.101 0.000 0.944 271 T HN 0.666 nan 8.240 nan 0.000 0.442 272 W N 4.706 126.048 121.300 0.069 0.000 2.446 272 W HA 0.319 4.979 4.660 -0.000 0.000 0.316 272 W C 0.284 176.853 176.519 0.085 0.000 1.376 272 W CA -0.299 57.100 57.345 0.092 0.000 1.300 272 W CB 0.666 30.218 29.460 0.153 0.000 1.351 272 W HN 0.842 nan 8.180 nan 0.000 0.530 273 S N 8.187 123.722 115.700 -0.275 0.000 2.596 273 S HA -0.027 4.443 4.470 -0.000 0.000 0.298 273 S C -0.724 173.773 174.600 -0.172 0.000 1.255 273 S CA -0.740 57.352 58.200 -0.180 0.000 1.083 273 S CB 0.945 64.053 63.200 -0.154 0.000 0.837 273 S HN 0.467 nan 8.310 nan 0.000 0.499 274 P HA -0.028 nan 4.420 nan 0.000 0.234 274 P C 0.360 177.654 177.300 -0.010 0.000 1.167 274 P CA 0.781 63.899 63.100 0.031 0.000 0.763 274 P CB 0.159 31.879 31.700 0.033 0.000 0.835 275 E N -0.817 119.339 120.200 -0.074 0.000 2.447 275 E HA 0.037 4.387 4.350 -0.000 0.000 0.195 275 E C 0.396 176.951 176.600 -0.076 0.000 1.028 275 E CA -0.145 56.210 56.400 -0.075 0.000 0.876 275 E CB -0.254 29.375 29.700 -0.117 0.000 0.885 275 E HN 0.227 nan 8.360 nan 0.000 0.500 276 N N 1.140 119.754 118.700 -0.145 0.000 2.454 276 N HA -0.100 4.640 4.740 -0.000 0.000 0.254 276 N C 0.846 176.343 175.510 -0.022 0.000 1.228 276 N CA 0.042 52.997 53.050 -0.159 0.000 0.900 276 N CB 0.302 38.536 38.487 -0.421 0.000 1.089 276 N HN 0.306 nan 8.380 nan 0.000 0.449 277 W N 2.906 124.237 121.300 0.053 0.000 2.342 277 W HA -0.046 4.614 4.660 -0.000 0.000 0.297 277 W C -0.058 176.485 176.519 0.041 0.000 1.213 277 W CA -0.033 57.342 57.345 0.049 0.000 1.251 277 W CB -0.258 29.260 29.460 0.098 0.000 1.136 277 W HN 0.294 nan 8.180 nan 0.000 0.526 278 L N 3.166 123.782 121.223 -1.012 0.000 2.261 278 L HA 0.258 4.598 4.340 -0.000 0.000 0.289 278 L C -0.486 176.354 176.870 -0.051 0.000 1.059 278 L CA -0.062 54.208 54.840 -0.949 0.000 0.816 278 L CB 0.814 41.909 42.059 -1.607 0.000 1.191 278 L HN -0.098 nan 8.230 nan 0.000 0.431 279 Q N 6.362 126.149 119.800 -0.021 0.000 2.353 279 Q HA 0.518 4.858 4.340 -0.000 0.000 0.268 279 Q C -2.365 173.517 176.000 -0.196 0.000 1.045 279 Q CA -1.917 53.897 55.803 0.018 0.000 0.811 279 Q CB 2.088 30.848 28.738 0.036 0.000 1.305 279 Q HN 0.482 nan 8.270 nan 0.000 0.447 280 P HA 0.019 nan 4.420 nan 0.000 0.268 280 P C -0.290 176.815 177.300 -0.324 0.000 1.205 280 P CA 0.027 62.706 63.100 -0.701 0.000 0.771 280 P CB 0.639 31.540 31.700 -1.333 0.000 0.858 281 T N -1.612 112.821 114.554 -0.201 0.000 2.943 281 T HA 0.512 4.862 4.350 -0.000 0.000 0.284 281 T C 1.445 176.086 174.700 -0.098 0.000 1.015 281 T CA -0.249 61.788 62.100 -0.106 0.000 1.042 281 T CB 1.293 70.139 68.868 -0.037 0.000 1.055 281 T HN 0.342 nan 8.240 nan 0.000 0.500 282 A N 0.982 123.763 122.820 -0.064 0.000 1.948 282 A HA -0.102 4.218 4.320 -0.000 0.000 0.220 282 A C 2.057 179.620 177.584 -0.034 0.000 1.177 282 A CA 1.906 53.912 52.037 -0.051 0.000 0.636 282 A CB -1.015 17.967 19.000 -0.031 0.000 0.815 282 A HN 0.918 nan 8.150 nan 0.000 0.449 283 E N -1.344 118.847 120.200 -0.015 0.000 2.047 283 E HA 0.003 4.352 4.350 -0.000 0.000 0.191 283 E C 0.640 177.250 176.600 0.016 0.000 0.987 283 E CA 0.850 57.258 56.400 0.012 0.000 0.799 283 E CB -0.056 29.666 29.700 0.036 0.000 0.752 283 E HN 0.431 nan 8.360 nan 0.000 0.449 284 L N 1.774 122.998 121.223 0.001 0.000 2.637 284 L HA 0.342 4.681 4.340 -0.000 0.000 0.241 284 L C -2.691 174.140 176.870 -0.065 0.000 1.398 284 L CA -2.379 52.459 54.840 -0.002 0.000 0.895 284 L CB 0.718 42.801 42.059 0.039 0.000 1.183 284 L HN -0.172 nan 8.230 nan 0.000 0.497 285 P HA 0.047 nan 4.420 nan 0.000 0.271 285 P C -0.050 177.187 177.300 -0.104 0.000 1.216 285 P CA -0.067 62.896 63.100 -0.227 0.000 0.776 285 P CB 0.327 31.930 31.700 -0.163 0.000 0.881 286 F N 3.615 123.477 119.950 -0.146 0.000 2.460 286 F HA -0.073 4.454 4.527 -0.000 0.000 0.413 286 F C -0.838 174.919 175.800 -0.073 0.000 0.967 286 F CA -1.286 56.627 58.000 -0.146 0.000 1.122 286 F CB -0.467 38.373 39.000 -0.268 0.000 0.927 286 F HN 0.216 nan 8.300 nan 0.000 0.527 287 P HA 0.066 nan 4.420 nan 0.000 0.278 287 P C -0.942 176.424 177.300 0.110 0.000 1.238 287 P CA -0.510 62.666 63.100 0.127 0.000 0.794 287 P CB 0.981 32.781 31.700 0.166 0.000 0.955 288 Q N 0.611 120.462 119.800 0.086 0.000 2.392 288 Q HA 0.085 4.425 4.340 -0.000 0.000 0.262 288 Q C 0.971 177.061 176.000 0.150 0.000 1.003 288 Q CA -0.046 55.795 55.803 0.064 0.000 0.888 288 Q CB 0.588 29.361 28.738 0.058 0.000 1.260 288 Q HN 0.350 nan 8.270 nan 0.000 0.435 289 L N 2.904 124.136 121.223 0.016 0.000 2.084 289 L HA 0.089 4.429 4.340 -0.000 0.000 0.202 289 L C -0.215 176.786 176.870 0.219 0.000 1.074 289 L CA 1.144 56.011 54.840 0.045 0.000 0.757 289 L CB -0.206 41.699 42.059 -0.257 0.000 0.918 289 L HN 0.674 nan 8.230 nan 0.000 0.444 290 Y N 0.948 121.331 120.300 0.139 0.000 2.620 290 Y HA 0.114 4.664 4.550 -0.000 0.000 0.330 290 Y C 0.864 176.815 175.900 0.086 0.000 1.186 290 Y CA -0.373 57.790 58.100 0.106 0.000 1.467 290 Y CB 0.196 38.697 38.460 0.069 0.000 1.262 290 Y HN 0.105 nan 8.280 nan 0.000 0.550 291 T N 0.000 114.708 114.554 0.257 0.000 3.816 291 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 291 T CA 0.000 62.176 62.100 0.126 0.000 1.349 291 T CB 0.000 68.928 68.868 0.099 0.000 0.612 291 T HN 0.000 nan 8.240 nan 0.000 0.658