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 2q06_1_B DATA FIRST_RESID 21 DATA SEQUENCE NATEIRASVG RMVGGIGRFY IQMCTELKLS DQEGRLIQNS ITIERMVLSA DATA SEQUENCE FDERRNRXXX XXXXXXXDPK KTGGPIYRRR DGKWVRELIL YDKEEIRRIW DATA SEQUENCE RQANNGEDAT AGLTHMMIWH SNLNDATYQR TRALVRTGMD PRMCSLMQGS DATA SEQUENCE TLPRRSGAAG AAIKGVGTMV MELIRMIKRG INDRNFWRGE NGRRTRIAYE DATA SEQUENCE RMCNILKGKF QTAAQKAMMD QVRESRNPGN AEIEDLIFLA RSALILRGSI DATA SEQUENCE AHKSCLPACV YGLAVASGYD FEREGYSLVG IDPFRLLQNS QVFSLIRPNE DATA SEQUENCE NPAHKSQLVW MACHSAAFED LRVSSFIRGT RVIPRGQLST RGVQIASNEN DATA SEQUENCE VEAMDSSTLE LRSRYWAIRT RSGGNTNQQR ASAGQISVQP TFSVQRNLPF DATA SEQUENCE ERATIMAAFK GNTEGRTSDM RTEIIRMMES ARPEDVSFQG RGVFELSDEK DATA SEQUENCE ATNPIVPSFD MSNEGSYFFG DNAEE 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 21 N HA 0.000 nan 4.740 nan 0.000 0.220 21 N C 0.000 175.516 175.510 0.011 0.000 1.280 21 N CA 0.000 53.056 53.050 0.011 0.000 0.885 21 N CB 0.000 38.493 38.487 0.010 0.000 1.341 22 A N 0.751 123.576 122.820 0.009 0.000 1.983 22 A HA 0.152 4.475 4.320 0.005 0.000 0.207 22 A C 1.556 179.144 177.584 0.008 0.000 1.412 22 A CA 1.279 53.320 52.037 0.007 0.000 0.750 22 A CB -0.486 18.516 19.000 0.004 0.000 1.047 22 A HN 0.564 nan 8.150 nan 0.000 0.504 23 T N 0.832 115.390 114.554 0.007 0.000 2.777 23 T HA -0.144 4.209 4.350 0.005 0.000 0.266 23 T C 1.910 176.615 174.700 0.009 0.000 1.040 23 T CA 1.443 63.548 62.100 0.008 0.000 1.141 23 T CB -0.315 68.556 68.868 0.005 0.000 0.868 23 T HN 0.634 nan 8.240 nan 0.000 0.444 24 E N 1.541 121.746 120.200 0.007 0.000 2.160 24 E HA -0.171 4.182 4.350 0.005 0.000 0.195 24 E C 2.165 178.770 176.600 0.007 0.000 0.991 24 E CA 1.169 57.573 56.400 0.006 0.000 0.810 24 E CB -0.357 29.346 29.700 0.005 0.000 0.742 24 E HN 0.549 nan 8.360 nan 0.000 0.466 25 I N 1.335 121.911 120.570 0.009 0.000 2.494 25 I HA -0.060 4.113 4.170 0.005 0.000 0.250 25 I C 2.802 178.927 176.117 0.014 0.000 1.112 25 I CA 1.129 62.435 61.300 0.010 0.000 1.438 25 I CB -0.304 37.703 38.000 0.011 0.000 1.111 25 I HN 0.072 nan 8.210 nan 0.000 0.431 26 R N 1.366 121.877 120.500 0.018 0.000 2.148 26 R HA -0.029 4.314 4.340 0.005 0.000 0.227 26 R C 1.990 178.320 176.300 0.049 0.000 1.103 26 R CA 1.329 57.447 56.100 0.030 0.000 0.983 26 R CB -0.867 29.446 30.300 0.023 0.000 0.874 26 R HN 0.384 nan 8.270 nan 0.000 0.451 27 A N 1.866 124.708 122.820 0.036 0.000 1.858 27 A HA -0.209 4.114 4.320 0.005 0.000 0.216 27 A C 2.383 179.980 177.584 0.022 0.000 1.190 27 A CA 2.001 54.060 52.037 0.037 0.000 0.617 27 A CB -0.885 18.128 19.000 0.022 0.000 0.827 27 A HN 0.650 nan 8.150 nan 0.000 0.443 28 S N -0.489 115.215 115.700 0.006 0.000 2.419 28 S HA -0.126 4.347 4.470 0.005 0.000 0.233 28 S C 1.812 176.393 174.600 -0.032 0.000 1.016 28 S CA 1.453 59.645 58.200 -0.014 0.000 0.974 28 S CB -0.875 62.318 63.200 -0.011 0.000 0.786 28 S HN 0.850 nan 8.310 nan 0.000 0.492 29 V N 2.179 122.083 119.914 -0.017 0.000 2.379 29 V HA 0.235 4.357 4.120 0.005 0.000 0.243 29 V C 2.390 178.435 176.094 -0.083 0.000 1.035 29 V CA 1.827 64.100 62.300 -0.044 0.000 1.035 29 V CB -1.218 30.605 31.823 0.000 0.000 0.673 29 V HN 0.527 nan 8.190 nan 0.000 0.457 30 G N -0.486 108.328 108.800 0.023 0.000 2.498 30 G HA2 -0.259 3.704 3.960 0.005 0.000 0.219 30 G HA3 -0.259 3.704 3.960 0.005 0.000 0.219 30 G C 1.703 176.559 174.900 -0.073 0.000 1.119 30 G CA 0.866 45.986 45.100 0.034 0.000 0.766 30 G HN 0.527 nan 8.290 nan 0.000 0.552 31 R N -0.005 120.456 120.500 -0.065 0.000 2.073 31 R HA -0.037 4.305 4.340 0.005 0.000 0.229 31 R C 2.504 178.704 176.300 -0.167 0.000 1.120 31 R CA 1.649 57.700 56.100 -0.082 0.000 0.967 31 R CB -0.171 30.098 30.300 -0.053 0.000 0.862 31 R HN 0.503 nan 8.270 nan 0.000 0.436 32 M N -1.347 118.136 119.600 -0.196 0.000 2.558 32 M HA 0.067 4.550 4.480 0.005 0.000 0.255 32 M C 1.450 177.532 176.300 -0.364 0.000 1.113 32 M CA 1.161 56.323 55.300 -0.230 0.000 1.097 32 M CB 0.066 32.576 32.600 -0.150 0.000 1.426 32 M HN -0.165 nan 8.290 nan 0.000 0.488 33 V N 1.222 120.811 119.914 -0.543 0.000 2.346 33 V HA 0.017 4.140 4.120 0.005 0.000 0.244 33 V C 2.677 178.235 176.094 -0.894 0.000 1.037 33 V CA 1.964 63.682 62.300 -0.970 0.000 1.029 33 V CB -1.495 29.465 31.823 -1.439 0.000 0.663 33 V HN 0.636 nan 8.190 nan 0.000 0.454 34 G N 0.443 108.843 108.800 -0.667 0.000 2.513 34 G HA2 -0.271 3.691 3.960 0.005 0.000 0.219 34 G HA3 -0.271 3.691 3.960 0.005 0.000 0.219 34 G C 1.662 176.406 174.900 -0.260 0.000 1.160 34 G CA 1.269 46.162 45.100 -0.346 0.000 0.767 34 G HN 0.590 nan 8.290 nan 0.000 0.571 35 G N 1.083 109.712 108.800 -0.286 0.000 2.529 35 G HA2 -0.280 3.683 3.960 0.005 0.000 0.219 35 G HA3 -0.280 3.683 3.960 0.005 0.000 0.219 35 G C 1.773 176.520 174.900 -0.255 0.000 1.177 35 G CA 1.172 46.080 45.100 -0.321 0.000 0.773 35 G HN 0.450 nan 8.290 nan 0.000 0.573 36 I N 1.293 121.765 120.570 -0.164 0.000 2.113 36 I HA -0.048 4.125 4.170 0.005 0.000 0.238 36 I C 3.172 179.426 176.117 0.227 0.000 1.070 36 I CA 1.431 62.821 61.300 0.149 0.000 1.332 36 I CB -0.756 37.373 38.000 0.214 0.000 1.044 36 I HN 0.233 nan 8.210 nan 0.000 0.402 37 G N 0.279 109.114 108.800 0.058 0.000 2.529 37 G HA2 -0.312 3.651 3.960 0.005 0.000 0.219 37 G HA3 -0.312 3.651 3.960 0.005 0.000 0.219 37 G C 1.819 176.813 174.900 0.157 0.000 1.177 37 G CA 1.010 46.178 45.100 0.112 0.000 0.773 37 G HN 0.249 nan 8.290 nan 0.000 0.573 38 R N -0.751 119.798 120.500 0.080 0.000 2.094 38 R HA -0.154 4.189 4.340 0.005 0.000 0.239 38 R C 2.381 178.747 176.300 0.109 0.000 1.137 38 R CA 1.773 57.915 56.100 0.070 0.000 0.943 38 R CB -0.660 29.646 30.300 0.010 0.000 0.850 38 R HN 0.456 nan 8.270 nan 0.000 0.433 39 F N 0.188 120.143 119.950 0.010 0.000 2.161 39 F HA -0.288 4.242 4.527 0.005 0.000 0.300 39 F C 2.049 177.944 175.800 0.159 0.000 1.089 39 F CA 1.523 59.570 58.000 0.080 0.000 1.282 39 F CB -0.470 38.619 39.000 0.149 0.000 1.010 39 F HN 0.056 nan 8.300 nan 0.000 0.485 40 Y N 0.634 120.883 120.300 -0.084 0.000 2.263 40 Y HA -0.061 4.492 4.550 0.004 0.000 0.292 40 Y C 2.058 177.857 175.900 -0.169 0.000 1.130 40 Y CA 1.769 59.762 58.100 -0.178 0.000 1.179 40 Y CB -0.342 38.142 38.460 0.040 0.000 0.998 40 Y HN 0.120 nan 8.280 nan 0.000 0.532 41 I N -0.273 120.277 120.570 -0.035 0.000 2.286 41 I HA -0.215 3.958 4.170 0.005 0.000 0.245 41 I C 1.490 177.503 176.117 -0.172 0.000 1.104 41 I CA 1.134 62.377 61.300 -0.095 0.000 1.397 41 I CB -0.409 37.598 38.000 0.013 0.000 1.072 41 I HN 0.073 nan 8.210 nan 0.000 0.417 42 Q N 0.503 120.208 119.800 -0.159 0.000 2.283 42 Q HA 0.002 4.345 4.340 0.005 0.000 0.223 42 Q C 0.894 176.722 176.000 -0.288 0.000 0.918 42 Q CA 0.627 56.333 55.803 -0.162 0.000 0.952 42 Q CB 0.123 28.813 28.738 -0.081 0.000 1.030 42 Q HN 0.472 nan 8.270 nan 0.000 0.452 43 M N -3.046 116.316 119.600 -0.397 0.000 1.923 43 M HA 0.128 4.611 4.480 0.005 0.000 0.249 43 M C 1.104 177.141 176.300 -0.437 0.000 1.178 43 M CA 0.357 55.365 55.300 -0.488 0.000 1.033 43 M CB -0.042 32.118 32.600 -0.734 0.000 1.801 43 M HN 0.226 nan 8.290 nan 0.000 0.629 44 C N 1.189 120.199 119.300 -0.483 0.000 2.403 44 C HA -0.149 4.314 4.460 0.005 0.000 0.279 44 C C 2.320 177.177 174.990 -0.222 0.000 1.269 44 C CA 1.863 60.661 59.018 -0.366 0.000 1.774 44 C CB -1.479 26.062 27.740 -0.332 0.000 1.993 44 C HN 0.671 nan 8.230 nan 0.000 0.496 45 T N 1.355 115.789 114.554 -0.201 0.000 2.555 45 T HA -0.208 4.145 4.350 0.005 0.000 0.264 45 T C 1.506 176.139 174.700 -0.111 0.000 1.083 45 T CA 1.906 63.931 62.100 -0.126 0.000 1.179 45 T CB -0.398 68.407 68.868 -0.105 0.000 0.863 45 T HN 0.538 nan 8.240 nan 0.000 0.412 46 E N 0.996 121.106 120.200 -0.150 0.000 2.153 46 E HA 0.001 4.354 4.350 0.005 0.000 0.194 46 E C 1.744 178.285 176.600 -0.097 0.000 0.988 46 E CA 0.469 56.810 56.400 -0.097 0.000 0.811 46 E CB -0.362 29.235 29.700 -0.173 0.000 0.746 46 E HN 0.228 nan 8.360 nan 0.000 0.466 47 L N 0.278 121.381 121.223 -0.200 0.000 2.599 47 L HA 0.091 4.434 4.340 0.005 0.000 0.230 47 L C -0.162 176.674 176.870 -0.057 0.000 1.141 47 L CA 0.459 55.224 54.840 -0.124 0.000 0.877 47 L CB -1.244 40.712 42.059 -0.173 0.000 1.009 47 L HN 0.066 nan 8.230 nan 0.000 0.447 48 K N -0.037 120.330 120.400 -0.055 0.000 3.278 48 K HA -0.192 4.130 4.320 0.005 0.000 0.270 48 K C -0.221 176.362 176.600 -0.029 0.000 0.955 48 K CA 0.473 56.742 56.287 -0.032 0.000 0.723 48 K CB -1.819 30.677 32.500 -0.008 0.000 1.382 48 K HN 0.222 nan 8.250 nan 0.000 0.461 49 L N 1.034 122.228 121.223 -0.047 0.000 2.305 49 L HA 0.195 4.538 4.340 0.005 0.000 0.281 49 L C 1.249 178.119 176.870 -0.000 0.000 1.085 49 L CA -0.464 54.364 54.840 -0.021 0.000 0.813 49 L CB 1.276 43.306 42.059 -0.048 0.000 1.157 49 L HN 0.458 nan 8.230 nan 0.000 0.436 50 S N 1.381 117.094 115.700 0.023 0.000 2.580 50 S HA -0.084 4.389 4.470 0.005 0.000 0.261 50 S C 0.966 175.595 174.600 0.047 0.000 1.366 50 S CA -0.234 57.979 58.200 0.021 0.000 0.996 50 S CB 0.756 63.960 63.200 0.006 0.000 0.902 50 S HN 0.715 nan 8.310 nan 0.000 0.566 51 D N 0.824 121.252 120.400 0.046 0.000 2.116 51 D HA -0.186 4.457 4.640 0.005 0.000 0.193 51 D C 2.244 178.623 176.300 0.132 0.000 0.998 51 D CA 2.314 56.361 54.000 0.078 0.000 0.836 51 D CB -0.346 40.494 40.800 0.067 0.000 0.951 51 D HN 0.871 nan 8.370 nan 0.000 0.449 52 Q N -0.071 119.795 119.800 0.110 0.000 2.269 52 Q HA 0.032 4.374 4.340 0.005 0.000 0.201 52 Q C 1.843 177.959 176.000 0.193 0.000 0.946 52 Q CA 0.806 56.691 55.803 0.136 0.000 0.877 52 Q CB -0.218 28.454 28.738 -0.109 0.000 0.963 52 Q HN 0.207 nan 8.270 nan 0.000 0.472 53 E N 1.002 121.307 120.200 0.176 0.000 2.106 53 E HA -0.096 4.256 4.350 0.005 0.000 0.192 53 E C 1.725 178.455 176.600 0.217 0.000 0.984 53 E CA 0.976 57.521 56.400 0.242 0.000 0.806 53 E CB -0.136 29.675 29.700 0.186 0.000 0.750 53 E HN 0.622 nan 8.360 nan 0.000 0.458 54 G N 0.165 109.068 108.800 0.170 0.000 3.026 54 G HA2 -0.119 3.844 3.960 0.005 0.000 0.208 54 G HA3 -0.119 3.844 3.960 0.005 0.000 0.208 54 G C 1.220 176.311 174.900 0.318 0.000 1.169 54 G CA -0.182 45.024 45.100 0.176 0.000 0.788 54 G HN 0.038 nan 8.290 nan 0.000 0.533 55 R N -1.217 119.471 120.500 0.314 0.000 2.437 55 R HA 0.280 4.622 4.340 0.005 0.000 0.257 55 R C -0.143 176.365 176.300 0.347 0.000 0.927 55 R CA -0.501 55.800 56.100 0.334 0.000 1.078 55 R CB 0.396 30.956 30.300 0.433 0.000 1.161 55 R HN 0.216 nan 8.270 nan 0.000 0.529 56 L N 1.605 123.013 121.223 0.309 0.000 2.325 56 L HA 0.156 4.499 4.340 0.005 0.000 0.284 56 L C 1.205 178.162 176.870 0.144 0.000 1.089 56 L CA 0.308 55.270 54.840 0.204 0.000 0.836 56 L CB 0.475 42.592 42.059 0.097 0.000 1.184 56 L HN 0.118 nan 8.230 nan 0.000 0.444 57 I N 2.829 123.453 120.570 0.089 0.000 2.181 57 I HA -0.398 3.775 4.170 0.005 0.000 0.247 57 I C 1.801 177.981 176.117 0.105 0.000 1.081 57 I CA 1.624 62.967 61.300 0.071 0.000 1.340 57 I CB 0.171 38.202 38.000 0.051 0.000 1.036 57 I HN 0.827 nan 8.210 nan 0.000 0.417 58 Q N 0.320 120.157 119.800 0.062 0.000 2.112 58 Q HA -0.247 4.096 4.340 0.005 0.000 0.206 58 Q C 1.862 178.009 176.000 0.245 0.000 0.987 58 Q CA 1.809 57.667 55.803 0.093 0.000 0.858 58 Q CB -0.984 27.697 28.738 -0.095 0.000 0.905 58 Q HN 0.621 nan 8.270 nan 0.000 0.420 59 N N 0.606 119.465 118.700 0.265 0.000 2.171 59 N HA -0.084 4.659 4.740 0.005 0.000 0.184 59 N C 1.858 177.533 175.510 0.276 0.000 1.021 59 N CA 1.210 54.422 53.050 0.270 0.000 0.854 59 N CB -0.359 38.276 38.487 0.246 0.000 0.994 59 N HN 0.219 nan 8.380 nan 0.000 0.426 60 S N 1.200 117.072 115.700 0.287 0.000 2.359 60 S HA -0.107 4.366 4.470 0.005 0.000 0.223 60 S C 1.973 176.734 174.600 0.268 0.000 1.039 60 S CA 0.883 59.252 58.200 0.282 0.000 1.042 60 S CB -0.239 62.979 63.200 0.030 0.000 0.915 60 S HN 0.141 nan 8.310 nan 0.000 0.439 61 I N 1.576 122.287 120.570 0.236 0.000 2.068 61 I HA -0.212 3.961 4.170 0.005 0.000 0.238 61 I C 2.564 178.820 176.117 0.232 0.000 1.046 61 I CA 2.194 63.630 61.300 0.226 0.000 1.306 61 I CB -2.301 35.772 38.000 0.121 0.000 1.023 61 I HN 0.376 nan 8.210 nan 0.000 0.399 62 T N 1.943 116.621 114.554 0.207 0.000 2.699 62 T HA -0.162 4.191 4.350 0.005 0.000 0.268 62 T C 2.068 176.886 174.700 0.196 0.000 1.036 62 T CA 1.385 63.591 62.100 0.176 0.000 1.147 62 T CB -0.238 68.709 68.868 0.131 0.000 0.862 62 T HN 0.168 nan 8.240 nan 0.000 0.446 63 I N 1.343 122.054 120.570 0.236 0.000 2.179 63 I HA -0.139 4.033 4.170 0.005 0.000 0.242 63 I C 2.466 178.786 176.117 0.338 0.000 1.088 63 I CA 1.575 63.039 61.300 0.273 0.000 1.357 63 I CB -1.045 37.161 38.000 0.342 0.000 1.051 63 I HN 0.434 nan 8.210 nan 0.000 0.409 64 E N 0.693 121.108 120.200 0.358 0.000 2.005 64 E HA -0.275 4.078 4.350 0.005 0.000 0.198 64 E C 2.271 179.019 176.600 0.246 0.000 1.010 64 E CA 1.423 58.022 56.400 0.332 0.000 0.825 64 E CB -0.360 29.621 29.700 0.469 0.000 0.769 64 E HN 0.305 nan 8.360 nan 0.000 0.456 65 R N 0.567 121.267 120.500 0.333 0.000 2.154 65 R HA -0.240 4.103 4.340 0.005 0.000 0.248 65 R C 2.249 178.639 176.300 0.150 0.000 1.155 65 R CA 1.678 57.941 56.100 0.272 0.000 0.979 65 R CB -0.181 30.271 30.300 0.253 0.000 0.869 65 R HN 0.213 nan 8.270 nan 0.000 0.452 66 M N -0.484 119.210 119.600 0.157 0.000 2.139 66 M HA -0.183 4.299 4.480 0.005 0.000 0.260 66 M C 2.048 178.401 176.300 0.087 0.000 1.078 66 M CA 1.909 57.283 55.300 0.123 0.000 1.106 66 M CB -0.159 32.532 32.600 0.152 0.000 1.275 66 M HN 0.061 nan 8.290 nan 0.000 0.425 67 V N 1.067 121.051 119.914 0.116 0.000 2.363 67 V HA -0.359 3.764 4.120 0.005 0.000 0.254 67 V C 2.331 178.395 176.094 -0.049 0.000 1.074 67 V CA 2.031 64.331 62.300 0.001 0.000 1.069 67 V CB -0.927 30.797 31.823 -0.165 0.000 0.659 67 V HN 0.522 nan 8.190 nan 0.000 0.455 68 L N 0.585 121.778 121.223 -0.050 0.000 1.976 68 L HA -0.186 4.156 4.340 0.005 0.000 0.209 68 L C 2.708 179.581 176.870 0.005 0.000 1.071 68 L CA 2.213 57.020 54.840 -0.055 0.000 0.746 68 L CB -0.729 41.286 42.059 -0.074 0.000 0.890 68 L HN 0.602 nan 8.230 nan 0.000 0.432 69 S N -0.231 115.475 115.700 0.011 0.000 2.500 69 S HA -0.085 4.388 4.470 0.005 0.000 0.239 69 S C 1.755 176.342 174.600 -0.020 0.000 0.989 69 S CA 0.737 58.942 58.200 0.010 0.000 0.951 69 S CB -0.265 62.949 63.200 0.022 0.000 0.759 69 S HN 0.358 nan 8.310 nan 0.000 0.523 70 A N -0.325 122.458 122.820 -0.061 0.000 2.238 70 A HA 0.475 4.798 4.320 0.005 0.000 0.208 70 A C 1.076 178.423 177.584 -0.396 0.000 1.177 70 A CA 0.099 52.015 52.037 -0.202 0.000 0.804 70 A CB -0.527 18.330 19.000 -0.239 0.000 0.823 70 A HN 0.604 nan 8.150 nan 0.000 0.482 71 F N -1.872 118.018 119.950 -0.100 0.000 2.772 71 F HA 0.162 4.692 4.527 0.005 0.000 0.316 71 F C 1.327 177.085 175.800 -0.071 0.000 1.114 71 F CA -0.330 57.611 58.000 -0.097 0.000 1.191 71 F CB 0.468 39.368 39.000 -0.167 0.000 1.065 71 F HN 0.181 nan 8.300 nan 0.000 0.534 72 D N 1.347 121.791 120.400 0.073 0.000 2.084 72 D HA -0.230 4.413 4.640 0.005 0.000 0.194 72 D C 1.368 177.691 176.300 0.038 0.000 0.990 72 D CA 1.979 56.005 54.000 0.044 0.000 0.826 72 D CB 0.167 40.977 40.800 0.018 0.000 0.971 72 D HN 0.175 nan 8.370 nan 0.000 0.453 73 E N -0.370 119.845 120.200 0.026 0.000 2.596 73 E HA -0.273 4.080 4.350 0.005 0.000 0.272 73 E C -0.575 176.032 176.600 0.012 0.000 1.039 73 E CA 0.223 56.635 56.400 0.020 0.000 0.804 73 E CB -1.700 28.019 29.700 0.032 0.000 1.373 73 E HN 0.432 nan 8.360 nan 0.000 0.404 74 R N 0.949 121.453 120.500 0.007 0.000 2.438 74 R HA 0.283 4.626 4.340 0.005 0.000 0.287 74 R C -0.064 176.236 176.300 0.001 0.000 1.077 74 R CA -0.378 55.724 56.100 0.004 0.000 1.034 74 R CB 0.609 30.911 30.300 0.003 0.000 0.993 74 R HN -0.009 nan 8.270 nan 0.000 0.459 75 R N 1.992 122.492 120.500 -0.000 0.000 2.368 75 R HA 0.218 4.561 4.340 0.005 0.000 0.302 75 R C -0.014 176.284 176.300 -0.003 0.000 1.002 75 R CA -0.233 55.867 56.100 -0.001 0.000 0.929 75 R CB 0.954 31.253 30.300 -0.001 0.000 1.073 75 R HN 0.863 nan 8.270 nan 0.000 0.464 76 N N 0.564 119.262 118.700 -0.003 0.000 2.610 76 N HA 0.240 4.983 4.740 0.005 0.000 0.309 76 N C 0.583 176.090 175.510 -0.004 0.000 1.536 76 N CA -0.001 53.047 53.050 -0.004 0.000 0.954 76 N CB 0.162 38.646 38.487 -0.004 0.000 1.310 76 N HN 0.671 nan 8.380 nan 0.000 0.502 89 P HA 0.470 nan 4.420 nan 0.000 0.302 89 P C -0.965 176.331 177.300 -0.006 0.000 1.307 89 P CA -0.478 62.618 63.100 -0.006 0.000 0.754 89 P CB 0.658 32.352 31.700 -0.009 0.000 1.298 90 K N 0.388 120.783 120.400 -0.009 0.000 2.526 90 K HA 0.296 4.619 4.320 0.005 0.000 0.214 90 K C -0.572 176.020 176.600 -0.012 0.000 1.088 90 K CA -0.302 55.979 56.287 -0.010 0.000 1.058 90 K CB 0.249 32.742 32.500 -0.012 0.000 1.653 90 K HN 0.361 nan 8.250 nan 0.000 0.521 91 K N 0.233 120.629 120.400 -0.008 0.000 2.557 91 K HA 0.225 4.548 4.320 0.005 0.000 0.257 91 K C -0.977 175.628 176.600 0.009 0.000 0.933 91 K CA -0.809 55.475 56.287 -0.005 0.000 0.820 91 K CB 2.005 34.497 32.500 -0.012 0.000 1.330 91 K HN -0.071 nan 8.250 nan 0.000 0.432 92 T N 0.345 114.913 114.554 0.024 0.000 2.945 92 T HA 0.838 5.191 4.350 0.005 0.000 0.286 92 T C -0.184 174.557 174.700 0.069 0.000 1.025 92 T CA 0.213 62.335 62.100 0.038 0.000 1.039 92 T CB 1.536 70.422 68.868 0.029 0.000 1.068 92 T HN 0.840 nan 8.240 nan 0.000 0.497 93 G N 0.361 109.200 108.800 0.064 0.000 2.450 93 G HA2 0.646 4.608 3.960 0.005 0.000 0.273 93 G HA3 0.646 4.608 3.960 0.005 0.000 0.273 93 G C -0.306 174.628 174.900 0.057 0.000 1.221 93 G CA 0.197 45.343 45.100 0.078 0.000 0.900 93 G HN 1.254 nan 8.290 nan 0.000 0.483 94 G N -0.959 107.866 108.800 0.041 0.000 2.452 94 G HA2 0.635 4.598 3.960 0.005 0.000 0.224 94 G HA3 0.635 4.598 3.960 0.005 0.000 0.224 94 G C -3.337 171.547 174.900 -0.027 0.000 1.208 94 G CA 0.329 45.442 45.100 0.022 0.000 0.946 94 G HN 0.803 nan 8.290 nan 0.000 0.481 95 P HA 0.704 nan 4.420 nan 0.000 0.286 95 P C -0.986 176.068 177.300 -0.409 0.000 1.261 95 P CA -0.234 62.716 63.100 -0.250 0.000 0.821 95 P CB 2.077 33.651 31.700 -0.210 0.000 1.013 96 I N 2.289 122.522 120.570 -0.561 0.000 2.722 96 I HA 0.339 4.512 4.170 0.005 0.000 0.295 96 I C -0.924 174.876 176.117 -0.527 0.000 1.161 96 I CA -0.907 60.102 61.300 -0.485 0.000 1.032 96 I CB 2.179 40.091 38.000 -0.148 0.000 1.244 96 I HN 0.261 nan 8.210 nan 0.000 0.421 97 Y N 4.456 124.824 120.300 0.114 0.000 2.328 97 Y HA 0.654 5.207 4.550 0.005 0.000 0.336 97 Y C -0.280 175.802 175.900 0.303 0.000 0.960 97 Y CA -0.731 57.473 58.100 0.173 0.000 1.134 97 Y CB 1.549 40.063 38.460 0.090 0.000 1.166 97 Y HN 0.272 nan 8.280 nan 0.000 0.464 98 R N 1.895 122.652 120.500 0.429 0.000 2.476 98 R HA 0.368 4.711 4.340 0.005 0.000 0.305 98 R C -0.531 175.860 176.300 0.152 0.000 0.965 98 R CA -0.957 55.315 56.100 0.287 0.000 0.867 98 R CB 1.677 32.047 30.300 0.117 0.000 1.176 98 R HN 0.589 nan 8.270 nan 0.000 0.447 99 R N 3.364 123.705 120.500 -0.264 0.000 2.435 99 R HA 0.049 4.392 4.340 0.005 0.000 0.325 99 R C -0.534 175.557 176.300 -0.349 0.000 1.149 99 R CA 0.445 56.085 56.100 -0.768 0.000 0.995 99 R CB 0.225 29.779 30.300 -1.245 0.000 1.008 99 R HN 0.414 nan 8.270 nan 0.000 0.470 100 R N 3.402 123.776 120.500 -0.210 0.000 2.335 100 R HA 0.054 4.397 4.340 0.005 0.000 0.302 100 R C -1.145 175.086 176.300 -0.114 0.000 1.147 100 R CA -0.627 55.400 56.100 -0.122 0.000 1.111 100 R CB 0.732 31.002 30.300 -0.050 0.000 1.122 100 R HN 0.659 nan 8.270 nan 0.000 0.557 101 D N 2.270 122.591 120.400 -0.131 0.000 4.353 101 D HA -0.160 4.483 4.640 0.005 0.000 0.242 101 D C 0.890 177.112 176.300 -0.130 0.000 1.063 101 D CA 1.712 55.646 54.000 -0.110 0.000 1.224 101 D CB -0.591 40.168 40.800 -0.069 0.000 0.831 101 D HN 0.794 nan 8.370 nan 0.000 0.405 102 G N 4.079 112.778 108.800 -0.169 0.000 3.581 102 G HA2 -0.416 3.547 3.960 0.005 0.000 0.336 102 G HA3 -0.416 3.547 3.960 0.005 0.000 0.336 102 G C 0.381 175.126 174.900 -0.259 0.000 1.259 102 G CA 1.411 46.405 45.100 -0.178 0.000 1.001 102 G HN 0.997 nan 8.290 nan 0.000 0.662 103 K N 0.213 120.524 120.400 -0.150 0.000 2.286 103 K HA 0.354 4.677 4.320 0.005 0.000 0.256 103 K C -0.468 176.053 176.600 -0.132 0.000 0.999 103 K CA 0.119 56.353 56.287 -0.088 0.000 0.908 103 K CB 0.425 32.935 32.500 0.017 0.000 0.981 103 K HN 0.449 nan 8.250 nan 0.000 0.500 104 W N 0.506 121.818 121.300 0.020 0.000 2.438 104 W HA 0.443 5.105 4.660 0.002 0.000 0.324 104 W C -0.727 175.833 176.519 0.069 0.000 1.119 104 W CA -0.622 56.749 57.345 0.043 0.000 1.221 104 W CB 1.361 30.845 29.460 0.041 0.000 1.253 104 W HN 0.142 nan 8.180 nan 0.000 0.555 105 V N 3.320 123.442 119.914 0.346 0.000 2.823 105 V HA 0.482 4.605 4.120 0.005 0.000 0.312 105 V C -0.104 176.140 176.094 0.249 0.000 1.072 105 V CA -1.534 60.904 62.300 0.229 0.000 0.937 105 V CB 1.742 33.639 31.823 0.122 0.000 1.013 105 V HN 0.506 nan 8.190 nan 0.000 0.430 106 R N 2.423 123.035 120.500 0.187 0.000 2.500 106 R HA 0.556 4.898 4.340 0.005 0.000 0.277 106 R C -0.996 175.304 176.300 -0.001 0.000 1.026 106 R CA -0.372 55.780 56.100 0.087 0.000 1.058 106 R CB 1.026 31.397 30.300 0.118 0.000 1.078 106 R HN 0.788 nan 8.270 nan 0.000 0.509 107 E N 4.376 124.518 120.200 -0.097 0.000 2.291 107 E HA 0.180 4.533 4.350 0.005 0.000 0.276 107 E C -1.215 175.335 176.600 -0.084 0.000 0.896 107 E CA -0.619 55.745 56.400 -0.059 0.000 0.774 107 E CB 2.147 31.827 29.700 -0.033 0.000 1.227 107 E HN 0.488 nan 8.360 nan 0.000 0.413 108 L N 4.557 125.757 121.223 -0.039 0.000 2.270 108 L HA 0.342 4.685 4.340 0.005 0.000 0.286 108 L C 0.162 177.034 176.870 0.003 0.000 1.059 108 L CA -0.625 54.198 54.840 -0.028 0.000 0.839 108 L CB 0.026 42.078 42.059 -0.012 0.000 1.221 108 L HN 0.436 nan 8.230 nan 0.000 0.431 109 I N 1.375 121.957 120.570 0.020 0.000 2.834 109 I HA 0.451 4.624 4.170 0.005 0.000 0.305 109 I C -0.302 175.867 176.117 0.086 0.000 1.008 109 I CA -0.266 61.082 61.300 0.081 0.000 1.273 109 I CB 0.849 38.940 38.000 0.151 0.000 1.432 109 I HN 0.282 nan 8.210 nan 0.000 0.557 110 L N 3.803 125.085 121.223 0.099 0.000 2.574 110 L HA 0.273 4.616 4.340 0.005 0.000 0.258 110 L C -0.381 176.533 176.870 0.073 0.000 1.520 110 L CA 0.126 55.009 54.840 0.071 0.000 0.775 110 L CB 0.165 42.235 42.059 0.018 0.000 1.028 110 L HN 0.544 nan 8.230 nan 0.000 0.516 111 Y N 1.263 121.567 120.300 0.006 0.000 2.542 111 Y HA -0.007 4.546 4.550 0.005 0.000 0.349 111 Y C 0.657 176.562 175.900 0.007 0.000 1.215 111 Y CA 0.484 58.589 58.100 0.009 0.000 1.253 111 Y CB -0.430 38.042 38.460 0.019 0.000 1.120 111 Y HN 0.502 nan 8.280 nan 0.000 0.487 112 D N 0.710 121.143 120.400 0.055 0.000 4.736 112 D HA -0.175 4.467 4.640 0.005 0.000 0.234 112 D C 0.676 176.991 176.300 0.025 0.000 1.210 112 D CA 0.437 54.445 54.000 0.014 0.000 1.126 112 D CB 0.254 41.041 40.800 -0.021 0.000 0.669 112 D HN 0.378 nan 8.370 nan 0.000 0.319 113 K N 3.964 124.363 120.400 -0.002 0.000 2.589 113 K HA -0.189 4.133 4.320 0.005 0.000 0.195 113 K C 1.238 177.784 176.600 -0.089 0.000 1.040 113 K CA 2.080 58.347 56.287 -0.034 0.000 0.950 113 K CB -0.187 32.288 32.500 -0.041 0.000 0.781 113 K HN 0.794 nan 8.250 nan 0.000 0.486 114 E N -0.970 119.195 120.200 -0.058 0.000 2.571 114 E HA 0.045 4.398 4.350 0.005 0.000 0.222 114 E C 1.374 177.957 176.600 -0.027 0.000 0.904 114 E CA -0.232 56.117 56.400 -0.084 0.000 1.157 114 E CB 0.019 29.681 29.700 -0.063 0.000 1.158 114 E HN 0.095 nan 8.360 nan 0.000 0.540 115 E N 1.667 121.881 120.200 0.024 0.000 2.072 115 E HA -0.045 4.307 4.350 0.005 0.000 0.190 115 E C 1.745 178.422 176.600 0.128 0.000 0.982 115 E CA 1.322 57.769 56.400 0.078 0.000 0.803 115 E CB -0.157 29.603 29.700 0.100 0.000 0.755 115 E HN 0.434 nan 8.360 nan 0.000 0.453 116 I N 0.506 121.157 120.570 0.135 0.000 2.099 116 I HA -0.320 3.853 4.170 0.005 0.000 0.239 116 I C 2.728 178.946 176.117 0.167 0.000 1.066 116 I CA 1.628 63.044 61.300 0.193 0.000 1.324 116 I CB -0.399 37.688 38.000 0.143 0.000 1.037 116 I HN 0.124 nan 8.210 nan 0.000 0.401 117 R N 0.934 121.386 120.500 -0.079 0.000 2.133 117 R HA -0.238 4.105 4.340 0.005 0.000 0.247 117 R C 2.445 178.818 176.300 0.122 0.000 1.151 117 R CA 1.722 57.657 56.100 -0.274 0.000 0.971 117 R CB -0.255 29.681 30.300 -0.608 0.000 0.866 117 R HN 0.303 nan 8.270 nan 0.000 0.447 118 R N 0.209 120.780 120.500 0.119 0.000 2.093 118 R HA -0.003 4.340 4.340 0.005 0.000 0.224 118 R C 2.337 178.764 176.300 0.211 0.000 1.101 118 R CA 1.176 57.370 56.100 0.156 0.000 0.979 118 R CB -0.126 30.236 30.300 0.103 0.000 0.877 118 R HN 0.279 nan 8.270 nan 0.000 0.441 119 I N -0.012 120.713 120.570 0.258 0.000 2.142 119 I HA -0.332 3.841 4.170 0.005 0.000 0.240 119 I C 2.444 178.817 176.117 0.427 0.000 1.078 119 I CA 1.298 62.782 61.300 0.307 0.000 1.343 119 I CB -0.587 37.616 38.000 0.339 0.000 1.046 119 I HN 0.426 nan 8.210 nan 0.000 0.405 120 W N 2.779 124.281 121.300 0.337 0.000 2.321 120 W HA -0.232 4.431 4.660 0.005 0.000 0.306 120 W C 2.551 179.157 176.519 0.145 0.000 1.217 120 W CA 1.608 59.055 57.345 0.170 0.000 1.257 120 W CB -0.352 29.095 29.460 -0.022 0.000 1.145 120 W HN 0.106 nan 8.180 nan 0.000 0.509 121 R N -0.291 120.366 120.500 0.260 0.000 2.066 121 R HA -0.173 4.169 4.340 0.005 0.000 0.232 121 R C 2.260 178.555 176.300 -0.009 0.000 1.131 121 R CA 1.563 57.724 56.100 0.102 0.000 0.955 121 R CB -0.581 29.849 30.300 0.217 0.000 0.851 121 R HN 0.190 nan 8.270 nan 0.000 0.432 122 Q N -0.144 119.688 119.800 0.053 0.000 2.364 122 Q HA -0.033 4.309 4.340 0.005 0.000 0.207 122 Q C 1.783 177.776 176.000 -0.011 0.000 0.970 122 Q CA 1.137 56.956 55.803 0.027 0.000 0.888 122 Q CB -0.119 28.654 28.738 0.058 0.000 0.951 122 Q HN 0.304 nan 8.270 nan 0.000 0.469 123 A N 2.263 125.062 122.820 -0.035 0.000 1.819 123 A HA -0.100 4.223 4.320 0.005 0.000 0.215 123 A C 1.079 178.555 177.584 -0.180 0.000 1.226 123 A CA 0.551 52.539 52.037 -0.082 0.000 0.608 123 A CB -0.810 18.155 19.000 -0.059 0.000 0.877 123 A HN 0.428 nan 8.150 nan 0.000 0.452 124 N N 1.930 120.412 118.700 -0.363 0.000 2.598 124 N HA -0.012 4.731 4.740 0.005 0.000 0.300 124 N C -0.866 174.529 175.510 -0.192 0.000 1.224 124 N CA 0.042 52.888 53.050 -0.340 0.000 1.125 124 N CB -0.460 37.706 38.487 -0.535 0.000 1.468 124 N HN 0.325 nan 8.380 nan 0.000 0.504 125 N N 1.338 119.966 118.700 -0.120 0.000 2.782 125 N HA -0.223 4.520 4.740 0.005 0.000 0.274 125 N C 1.235 176.714 175.510 -0.051 0.000 0.962 125 N CA 1.213 54.222 53.050 -0.068 0.000 0.848 125 N CB -1.242 37.211 38.487 -0.056 0.000 0.923 125 N HN 0.781 nan 8.380 nan 0.000 0.575 126 G N -1.416 107.359 108.800 -0.041 0.000 2.180 126 G HA2 -0.385 3.578 3.960 0.005 0.000 0.263 126 G HA3 -0.385 3.578 3.960 0.005 0.000 0.263 126 G C 0.261 175.161 174.900 -0.000 0.000 0.989 126 G CA 1.107 46.203 45.100 -0.007 0.000 0.692 126 G HN 0.599 nan 8.290 nan 0.000 0.526 127 E N -0.731 119.451 120.200 -0.031 0.000 2.700 127 E HA 0.492 4.844 4.350 0.005 0.000 0.253 127 E C 0.897 177.507 176.600 0.016 0.000 1.175 127 E CA -0.342 56.050 56.400 -0.015 0.000 1.010 127 E CB 0.590 30.265 29.700 -0.041 0.000 1.284 127 E HN 0.087 nan 8.360 nan 0.000 0.557 128 D N -0.067 120.349 120.400 0.026 0.000 2.269 128 D HA 0.043 4.686 4.640 0.005 0.000 0.220 128 D C 0.436 176.795 176.300 0.098 0.000 0.962 128 D CA 1.039 55.074 54.000 0.057 0.000 0.884 128 D CB -0.040 40.767 40.800 0.013 0.000 1.023 128 D HN 0.471 nan 8.370 nan 0.000 0.484 129 A N 1.092 123.932 122.820 0.032 0.000 2.748 129 A HA -0.252 4.071 4.320 0.005 0.000 0.297 129 A C 1.716 179.370 177.584 0.117 0.000 1.508 129 A CA 1.487 53.554 52.037 0.051 0.000 0.799 129 A CB -2.466 16.521 19.000 -0.022 0.000 1.011 129 A HN 0.374 nan 8.150 nan 0.000 0.500 130 T N -2.402 112.151 114.554 -0.002 0.000 2.760 130 T HA -0.114 4.239 4.350 0.005 0.000 0.269 130 T C 1.950 176.623 174.700 -0.044 0.000 1.047 130 T CA 1.983 64.024 62.100 -0.099 0.000 1.139 130 T CB -0.803 68.004 68.868 -0.102 0.000 0.855 130 T HN 1.818 nan 8.240 nan 0.000 0.471 131 A N 1.823 124.641 122.820 -0.004 0.000 1.986 131 A HA 0.112 4.435 4.320 0.005 0.000 0.220 131 A C 2.688 180.296 177.584 0.040 0.000 1.171 131 A CA 1.875 53.916 52.037 0.008 0.000 0.640 131 A CB -1.536 17.461 19.000 -0.004 0.000 0.811 131 A HN 0.641 nan 8.150 nan 0.000 0.451 132 G N -0.667 108.189 108.800 0.095 0.000 2.396 132 G HA2 0.042 4.005 3.960 0.005 0.000 0.214 132 G HA3 0.042 4.005 3.960 0.005 0.000 0.214 132 G C 1.431 176.421 174.900 0.150 0.000 1.166 132 G CA 0.882 46.087 45.100 0.175 0.000 0.793 132 G HN 0.403 nan 8.290 nan 0.000 0.533 133 L N 1.501 122.704 121.223 -0.033 0.000 2.093 133 L HA -0.026 4.317 4.340 0.005 0.000 0.208 133 L C 3.203 179.999 176.870 -0.124 0.000 1.085 133 L CA 1.914 56.603 54.840 -0.252 0.000 0.755 133 L CB -0.869 40.893 42.059 -0.495 0.000 0.904 133 L HN 0.309 nan 8.230 nan 0.000 0.435 134 T N -4.008 110.509 114.554 -0.062 0.000 2.881 134 T HA -0.271 4.082 4.350 0.005 0.000 0.270 134 T C 1.784 176.503 174.700 0.031 0.000 1.068 134 T CA 1.502 63.585 62.100 -0.028 0.000 1.131 134 T CB -0.633 68.229 68.868 -0.011 0.000 0.871 134 T HN 0.412 nan 8.240 nan 0.000 0.479 135 H N 1.227 120.293 119.070 -0.006 0.000 2.457 135 H HA 0.187 4.746 4.556 0.005 0.000 0.294 135 H C 2.018 177.404 175.328 0.097 0.000 1.064 135 H CA 1.263 57.340 56.048 0.047 0.000 1.330 135 H CB -0.347 29.442 29.762 0.046 0.000 1.395 135 H HN 0.334 nan 8.280 nan 0.000 0.541 136 M N -0.958 118.651 119.600 0.015 0.000 2.288 136 M HA -0.047 4.436 4.480 0.005 0.000 0.266 136 M C 2.192 178.413 176.300 -0.132 0.000 1.072 136 M CA 1.061 56.368 55.300 0.011 0.000 1.132 136 M CB -0.098 32.490 32.600 -0.020 0.000 1.386 136 M HN 0.298 nan 8.290 nan 0.000 0.432 137 M N 0.733 120.217 119.600 -0.194 0.000 2.080 137 M HA -0.211 4.271 4.480 0.005 0.000 0.260 137 M C 2.153 178.410 176.300 -0.071 0.000 1.068 137 M CA 1.795 56.982 55.300 -0.189 0.000 1.109 137 M CB -0.451 32.079 32.600 -0.118 0.000 1.342 137 M HN 0.213 nan 8.290 nan 0.000 0.405 138 I N -0.638 119.907 120.570 -0.041 0.000 2.163 138 I HA -0.347 3.826 4.170 0.005 0.000 0.243 138 I C 2.400 178.530 176.117 0.022 0.000 1.085 138 I CA 1.556 62.849 61.300 -0.013 0.000 1.347 138 I CB -0.691 37.299 38.000 -0.016 0.000 1.044 138 I HN 0.652 nan 8.210 nan 0.000 0.408 139 W N 2.539 123.751 121.300 -0.147 0.000 2.333 139 W HA -0.273 4.389 4.660 0.004 0.000 0.316 139 W C 2.402 178.950 176.519 0.049 0.000 1.215 139 W CA 1.838 59.128 57.345 -0.092 0.000 1.278 139 W CB -0.950 28.432 29.460 -0.130 0.000 1.154 139 W HN 0.258 nan 8.180 nan 0.000 0.486 140 H N -0.065 118.633 119.070 -0.620 0.000 2.321 140 H HA -0.219 4.340 4.556 0.005 0.000 0.295 140 H C 2.707 177.787 175.328 -0.413 0.000 1.102 140 H CA 1.915 57.584 56.048 -0.632 0.000 1.266 140 H CB -0.444 29.159 29.762 -0.265 0.000 1.363 140 H HN 0.172 nan 8.280 nan 0.000 0.492 141 S N 0.428 116.077 115.700 -0.084 0.000 2.363 141 S HA -0.193 4.280 4.470 0.005 0.000 0.218 141 S C 1.970 176.511 174.600 -0.099 0.000 1.035 141 S CA 1.434 59.601 58.200 -0.056 0.000 1.043 141 S CB -0.222 62.975 63.200 -0.006 0.000 0.986 141 S HN 0.429 nan 8.310 nan 0.000 0.423 142 N N 1.408 120.049 118.700 -0.098 0.000 2.165 142 N HA -0.187 4.556 4.740 0.005 0.000 0.198 142 N C 1.599 176.985 175.510 -0.206 0.000 0.999 142 N CA 1.591 54.578 53.050 -0.105 0.000 0.893 142 N CB -0.867 37.590 38.487 -0.050 0.000 1.025 142 N HN 0.429 nan 8.380 nan 0.000 0.456 143 L N 1.645 122.626 121.223 -0.403 0.000 2.056 143 L HA -0.039 4.304 4.340 0.005 0.000 0.207 143 L C 1.738 178.455 176.870 -0.254 0.000 1.078 143 L CA 1.565 56.137 54.840 -0.446 0.000 0.749 143 L CB -0.629 40.955 42.059 -0.791 0.000 0.901 143 L HN 0.098 nan 8.230 nan 0.000 0.433 144 N N 0.148 118.748 118.700 -0.168 0.000 2.058 144 N HA -0.201 4.542 4.740 0.005 0.000 0.191 144 N C 1.446 176.989 175.510 0.055 0.000 1.037 144 N CA 1.756 54.797 53.050 -0.015 0.000 0.848 144 N CB -0.642 37.888 38.487 0.072 0.000 1.021 144 N HN 0.400 nan 8.380 nan 0.000 0.422 145 D N 0.871 121.304 120.400 0.056 0.000 2.239 145 D HA -0.135 4.508 4.640 0.005 0.000 0.202 145 D C 1.590 177.947 176.300 0.093 0.000 0.993 145 D CA 1.050 55.121 54.000 0.118 0.000 0.874 145 D CB -0.056 40.792 40.800 0.080 0.000 0.922 145 D HN 0.334 nan 8.370 nan 0.000 0.464 146 A N 0.143 122.975 122.820 0.020 0.000 1.956 146 A HA -0.014 4.308 4.320 0.005 0.000 0.212 146 A C 2.316 180.007 177.584 0.179 0.000 1.188 146 A CA 1.497 53.562 52.037 0.047 0.000 0.675 146 A CB -0.402 18.531 19.000 -0.112 0.000 0.845 146 A HN 0.326 nan 8.150 nan 0.000 0.455 147 T N -2.472 112.082 114.554 -0.001 0.000 2.781 147 T HA 0.115 4.468 4.350 0.005 0.000 0.252 147 T C 0.759 175.429 174.700 -0.050 0.000 1.039 147 T CA 0.588 62.582 62.100 -0.177 0.000 1.147 147 T CB -0.529 67.969 68.868 -0.617 0.000 0.865 147 T HN 0.313 nan 8.240 nan 0.000 0.423 148 Y N 1.371 121.784 120.300 0.188 0.000 2.419 148 Y HA 0.536 5.089 4.550 0.004 0.000 0.328 148 Y C 0.523 176.466 175.900 0.071 0.000 1.162 148 Y CA -1.370 56.810 58.100 0.133 0.000 1.174 148 Y CB 1.301 39.787 38.460 0.044 0.000 1.228 148 Y HN 0.130 nan 8.280 nan 0.000 0.473 149 Q N 2.976 122.830 119.800 0.090 0.000 2.372 149 Q HA 0.293 4.636 4.340 0.005 0.000 0.259 149 Q C -0.821 175.107 176.000 -0.118 0.000 0.993 149 Q CA -1.175 54.434 55.803 -0.324 0.000 0.854 149 Q CB 0.842 29.254 28.738 -0.544 0.000 1.231 149 Q HN 0.577 nan 8.270 nan 0.000 0.462 150 R N 2.795 123.238 120.500 -0.095 0.000 2.347 150 R HA 0.188 4.531 4.340 0.005 0.000 0.304 150 R C -0.372 175.878 176.300 -0.083 0.000 1.072 150 R CA 0.755 56.819 56.100 -0.060 0.000 0.980 150 R CB 0.663 30.945 30.300 -0.031 0.000 0.986 150 R HN 0.671 nan 8.270 nan 0.000 0.448 151 T N 4.267 118.781 114.554 -0.066 0.000 3.098 151 T HA 0.055 4.407 4.350 0.005 0.000 0.246 151 T C 1.288 175.960 174.700 -0.046 0.000 0.983 151 T CA 0.576 62.640 62.100 -0.060 0.000 1.094 151 T CB 0.007 68.844 68.868 -0.052 0.000 1.035 151 T HN 0.675 nan 8.240 nan 0.000 0.456 152 R N 2.105 122.579 120.500 -0.043 0.000 2.120 152 R HA 0.162 4.505 4.340 0.005 0.000 0.234 152 R C 2.413 178.694 176.300 -0.033 0.000 1.123 152 R CA 1.412 57.490 56.100 -0.036 0.000 0.975 152 R CB -0.651 29.627 30.300 -0.037 0.000 0.866 152 R HN 0.274 nan 8.270 nan 0.000 0.446 153 A N 2.386 125.186 122.820 -0.035 0.000 1.849 153 A HA -0.143 4.180 4.320 0.005 0.000 0.217 153 A C 2.335 179.903 177.584 -0.026 0.000 1.202 153 A CA 1.697 53.716 52.037 -0.029 0.000 0.629 153 A CB -0.792 18.191 19.000 -0.028 0.000 0.834 153 A HN 0.294 nan 8.150 nan 0.000 0.447 154 L N -0.030 121.174 121.223 -0.032 0.000 1.976 154 L HA -0.285 4.058 4.340 0.005 0.000 0.223 154 L C 2.685 179.542 176.870 -0.021 0.000 1.081 154 L CA 2.196 57.018 54.840 -0.030 0.000 0.784 154 L CB -1.181 40.852 42.059 -0.043 0.000 0.896 154 L HN 0.485 nan 8.230 nan 0.000 0.438 155 V N -2.317 117.583 119.914 -0.023 0.000 2.453 155 V HA -0.251 3.872 4.120 0.005 0.000 0.252 155 V C 2.677 178.764 176.094 -0.012 0.000 1.068 155 V CA 1.506 63.796 62.300 -0.017 0.000 1.070 155 V CB -0.851 30.961 31.823 -0.018 0.000 0.664 155 V HN 0.387 nan 8.190 nan 0.000 0.461 156 R N 2.029 122.521 120.500 -0.014 0.000 2.070 156 R HA -0.079 4.264 4.340 0.005 0.000 0.233 156 R C 2.396 178.693 176.300 -0.005 0.000 1.137 156 R CA 2.128 58.221 56.100 -0.011 0.000 0.945 156 R CB -1.859 28.432 30.300 -0.015 0.000 0.845 156 R HN 0.782 nan 8.270 nan 0.000 0.430 157 T N -1.873 112.680 114.554 -0.003 0.000 3.317 157 T HA 0.255 4.608 4.350 0.005 0.000 0.250 157 T C 1.131 175.839 174.700 0.014 0.000 1.106 157 T CA 0.518 62.623 62.100 0.007 0.000 0.986 157 T CB 0.047 68.922 68.868 0.011 0.000 1.010 157 T HN 0.508 nan 8.240 nan 0.000 0.560 158 G N 1.041 109.846 108.800 0.008 0.000 2.136 158 G HA2 -0.240 3.722 3.960 0.005 0.000 0.242 158 G HA3 -0.240 3.722 3.960 0.005 0.000 0.242 158 G C -0.063 174.844 174.900 0.012 0.000 0.989 158 G CA 0.179 45.286 45.100 0.013 0.000 0.682 158 G HN 0.574 nan 8.290 nan 0.000 0.522 159 M N 0.102 119.704 119.600 0.003 0.000 2.573 159 M HA 0.427 4.910 4.480 0.005 0.000 0.309 159 M C -0.163 176.128 176.300 -0.015 0.000 1.202 159 M CA -0.794 54.503 55.300 -0.005 0.000 0.975 159 M CB 1.028 33.622 32.600 -0.011 0.000 1.600 159 M HN 0.099 nan 8.290 nan 0.000 0.479 160 D N 1.458 121.844 120.400 -0.023 0.000 2.249 160 D HA 0.234 4.877 4.640 0.005 0.000 0.246 160 D C -1.981 174.292 176.300 -0.045 0.000 1.114 160 D CA -1.832 52.150 54.000 -0.030 0.000 0.854 160 D CB 1.619 42.400 40.800 -0.032 0.000 1.132 160 D HN 0.165 nan 8.370 nan 0.000 0.461 161 P HA -0.041 nan 4.420 nan 0.000 0.229 161 P C 0.336 177.597 177.300 -0.065 0.000 1.150 161 P CA 0.819 63.887 63.100 -0.054 0.000 0.765 161 P CB 0.188 31.863 31.700 -0.041 0.000 0.783 162 R N -1.222 119.242 120.500 -0.061 0.000 2.515 162 R HA 0.333 4.676 4.340 0.005 0.000 0.294 162 R C 0.985 177.230 176.300 -0.092 0.000 1.021 162 R CA -0.019 56.041 56.100 -0.068 0.000 1.081 162 R CB -0.109 30.156 30.300 -0.058 0.000 1.263 162 R HN 0.244 nan 8.270 nan 0.000 0.557 163 M N 0.176 119.715 119.600 -0.102 0.000 2.655 163 M HA 0.085 4.568 4.480 0.005 0.000 0.311 163 M C 1.190 177.377 176.300 -0.188 0.000 1.229 163 M CA -0.187 55.037 55.300 -0.127 0.000 0.972 163 M CB 0.431 32.970 32.600 -0.102 0.000 1.366 163 M HN 0.283 nan 8.290 nan 0.000 0.500 164 C N -1.077 118.107 119.300 -0.194 0.000 2.401 164 C HA -0.132 4.331 4.460 0.005 0.000 0.276 164 C C 2.643 177.201 174.990 -0.720 0.000 1.233 164 C CA 1.072 59.904 59.018 -0.310 0.000 1.753 164 C CB -1.578 26.092 27.740 -0.116 0.000 2.029 164 C HN 0.573 nan 8.230 nan 0.000 0.478 165 S N 2.210 117.656 115.700 -0.423 0.000 2.428 165 S HA -0.174 4.299 4.470 0.005 0.000 0.240 165 S C 1.505 175.810 174.600 -0.491 0.000 1.036 165 S CA 1.942 59.904 58.200 -0.397 0.000 1.009 165 S CB -0.588 62.537 63.200 -0.124 0.000 0.803 165 S HN 0.741 nan 8.310 nan 0.000 0.486 166 L N -0.529 120.449 121.223 -0.409 0.000 2.554 166 L HA 0.256 4.599 4.340 0.005 0.000 0.225 166 L C 1.294 177.989 176.870 -0.292 0.000 1.104 166 L CA 0.121 54.794 54.840 -0.277 0.000 0.866 166 L CB -0.301 41.651 42.059 -0.177 0.000 1.047 166 L HN 0.269 nan 8.230 nan 0.000 0.468 167 M N 0.309 119.654 119.600 -0.425 0.000 2.568 167 M HA 0.105 4.588 4.480 0.005 0.000 0.226 167 M C 0.692 176.929 176.300 -0.105 0.000 1.148 167 M CA 0.183 55.338 55.300 -0.241 0.000 1.007 167 M CB -0.876 31.604 32.600 -0.201 0.000 1.651 167 M HN 0.236 nan 8.290 nan 0.000 0.488 168 Q N 0.275 120.023 119.800 -0.087 0.000 2.330 168 Q HA 0.291 4.634 4.340 0.005 0.000 0.279 168 Q C 1.029 177.079 176.000 0.083 0.000 1.024 168 Q CA 1.134 57.051 55.803 0.190 0.000 0.900 168 Q CB 0.411 29.301 28.738 0.254 0.000 1.221 168 Q HN 0.716 nan 8.270 nan 0.000 0.396 169 G N 2.191 111.055 108.800 0.107 0.000 2.155 169 G HA2 -0.340 3.623 3.960 0.005 0.000 0.257 169 G HA3 -0.340 3.623 3.960 0.005 0.000 0.257 169 G C 0.654 175.573 174.900 0.032 0.000 0.983 169 G CA 0.743 45.871 45.100 0.048 0.000 0.676 169 G HN 0.878 nan 8.290 nan 0.000 0.528 170 S N -0.629 115.096 115.700 0.041 0.000 2.447 170 S HA -0.029 4.444 4.470 0.005 0.000 0.233 170 S C 2.113 176.726 174.600 0.020 0.000 1.006 170 S CA 1.964 60.176 58.200 0.020 0.000 0.957 170 S CB -0.431 62.776 63.200 0.012 0.000 0.773 170 S HN 1.348 nan 8.310 nan 0.000 0.507 171 T N -0.443 114.129 114.554 0.031 0.000 3.107 171 T HA 0.386 4.739 4.350 0.005 0.000 0.249 171 T C 0.546 175.257 174.700 0.018 0.000 1.096 171 T CA -0.473 61.642 62.100 0.025 0.000 1.012 171 T CB -0.542 68.347 68.868 0.036 0.000 0.977 171 T HN 0.297 nan 8.240 nan 0.000 0.527 172 L N 3.278 124.509 121.223 0.014 0.000 2.514 172 L HA 0.218 4.560 4.340 0.005 0.000 0.280 172 L C -1.604 175.267 176.870 0.002 0.000 1.223 172 L CA -1.588 53.255 54.840 0.004 0.000 0.864 172 L CB 0.281 42.341 42.059 0.001 0.000 1.118 172 L HN 0.151 nan 8.230 nan 0.000 0.494 173 P HA 0.072 nan 4.420 nan 0.000 0.275 173 P C -0.184 177.114 177.300 -0.005 0.000 1.228 173 P CA -0.483 62.614 63.100 -0.005 0.000 0.786 173 P CB 0.524 32.216 31.700 -0.013 0.000 0.927 174 R N 2.408 122.908 120.500 -0.000 0.000 2.189 174 R HA -0.054 4.289 4.340 0.005 0.000 0.223 174 R C 1.265 177.565 176.300 0.000 0.000 1.092 174 R CA 0.857 56.959 56.100 0.003 0.000 0.989 174 R CB -0.545 29.760 30.300 0.008 0.000 0.876 174 R HN 0.250 nan 8.270 nan 0.000 0.457 175 R N 1.927 122.425 120.500 -0.005 0.000 2.285 175 R HA -0.005 4.338 4.340 0.005 0.000 0.213 175 R C 0.735 177.023 176.300 -0.020 0.000 1.068 175 R CA 0.899 56.993 56.100 -0.010 0.000 1.004 175 R CB -0.068 30.226 30.300 -0.011 0.000 0.873 175 R HN 0.407 nan 8.270 nan 0.000 0.467 176 S N -0.612 115.077 115.700 -0.020 0.000 2.579 176 S HA 0.336 4.808 4.470 0.005 0.000 0.275 176 S C 0.916 175.507 174.600 -0.015 0.000 1.345 176 S CA -0.546 57.639 58.200 -0.024 0.000 1.031 176 S CB 1.356 64.544 63.200 -0.021 0.000 0.892 176 S HN 0.244 nan 8.310 nan 0.000 0.529 177 G N 0.380 109.171 108.800 -0.015 0.000 2.525 177 G HA2 0.477 4.440 3.960 0.005 0.000 0.276 177 G HA3 0.477 4.440 3.960 0.005 0.000 0.276 177 G C 0.957 175.857 174.900 -0.001 0.000 1.388 177 G CA -0.435 44.660 45.100 -0.008 0.000 1.050 177 G HN 1.306 nan 8.290 nan 0.000 0.520 178 A N -1.126 121.695 122.820 0.002 0.000 2.235 178 A HA 0.421 4.744 4.320 0.005 0.000 0.208 178 A C 2.342 179.930 177.584 0.006 0.000 1.172 178 A CA 1.550 53.589 52.037 0.004 0.000 0.786 178 A CB -0.453 18.550 19.000 0.005 0.000 0.804 178 A HN 1.021 nan 8.150 nan 0.000 0.479 179 A N -0.227 122.598 122.820 0.010 0.000 1.930 179 A HA 0.236 4.559 4.320 0.005 0.000 0.215 179 A C 2.297 179.888 177.584 0.012 0.000 1.176 179 A CA 1.516 53.564 52.037 0.018 0.000 0.632 179 A CB -1.138 17.880 19.000 0.030 0.000 0.819 179 A HN 0.611 nan 8.150 nan 0.000 0.445 180 G N 0.038 108.841 108.800 0.005 0.000 2.514 180 G HA2 -0.095 3.868 3.960 0.005 0.000 0.217 180 G HA3 -0.095 3.868 3.960 0.005 0.000 0.217 180 G C 1.800 176.696 174.900 -0.006 0.000 1.198 180 G CA 1.761 46.861 45.100 -0.001 0.000 0.780 180 G HN 0.871 nan 8.290 nan 0.000 0.565 181 A N 1.096 123.912 122.820 -0.007 0.000 1.986 181 A HA 0.105 4.428 4.320 0.005 0.000 0.220 181 A C 2.808 180.379 177.584 -0.022 0.000 1.171 181 A CA 2.529 54.558 52.037 -0.014 0.000 0.640 181 A CB -0.806 18.188 19.000 -0.010 0.000 0.811 181 A HN 0.975 nan 8.150 nan 0.000 0.451 182 A N -0.176 122.636 122.820 -0.014 0.000 1.865 182 A HA -0.128 4.195 4.320 0.005 0.000 0.217 182 A C 2.092 179.653 177.584 -0.038 0.000 1.191 182 A CA 1.680 53.707 52.037 -0.016 0.000 0.623 182 A CB -0.485 18.517 19.000 0.002 0.000 0.826 182 A HN 0.444 nan 8.150 nan 0.000 0.444 183 I N -0.321 120.229 120.570 -0.033 0.000 2.546 183 I HA -0.068 4.104 4.170 0.005 0.000 0.255 183 I C 0.411 176.489 176.117 -0.066 0.000 1.163 183 I CA 0.723 61.991 61.300 -0.054 0.000 1.457 183 I CB -0.614 37.375 38.000 -0.018 0.000 1.092 183 I HN 0.291 nan 8.210 nan 0.000 0.434 184 K N 1.308 121.679 120.400 -0.049 0.000 2.448 184 K HA 0.148 4.471 4.320 0.005 0.000 0.278 184 K C 0.471 177.023 176.600 -0.080 0.000 1.009 184 K CA -0.061 56.197 56.287 -0.048 0.000 0.995 184 K CB 0.613 33.089 32.500 -0.040 0.000 0.917 184 K HN 0.126 nan 8.250 nan 0.000 0.481 185 G N 0.735 109.486 108.800 -0.082 0.000 2.535 185 G HA2 0.212 4.175 3.960 0.005 0.000 0.303 185 G HA3 0.212 4.175 3.960 0.005 0.000 0.303 185 G C 1.145 175.963 174.900 -0.137 0.000 1.237 185 G CA -0.802 44.228 45.100 -0.116 0.000 0.986 185 G HN 0.346 nan 8.290 nan 0.000 0.494 186 V N 1.176 120.984 119.914 -0.178 0.000 2.255 186 V HA -0.150 3.973 4.120 0.005 0.000 0.247 186 V C 3.150 179.177 176.094 -0.113 0.000 1.051 186 V CA 2.638 64.820 62.300 -0.197 0.000 1.018 186 V CB -1.178 30.508 31.823 -0.228 0.000 0.641 186 V HN 0.852 nan 8.190 nan 0.000 0.445 187 G N -0.682 108.053 108.800 -0.109 0.000 2.469 187 G HA2 -0.279 3.684 3.960 0.005 0.000 0.220 187 G HA3 -0.279 3.684 3.960 0.005 0.000 0.220 187 G C 1.671 176.534 174.900 -0.062 0.000 1.136 187 G CA 1.701 46.751 45.100 -0.083 0.000 0.759 187 G HN 0.489 nan 8.290 nan 0.000 0.562 188 T N 1.202 115.715 114.554 -0.069 0.000 2.701 188 T HA -0.047 4.306 4.350 0.005 0.000 0.263 188 T C 2.525 177.210 174.700 -0.025 0.000 1.040 188 T CA 1.332 63.406 62.100 -0.042 0.000 1.147 188 T CB -0.183 68.662 68.868 -0.039 0.000 0.865 188 T HN 0.167 nan 8.240 nan 0.000 0.426 189 M N 0.494 120.073 119.600 -0.035 0.000 2.288 189 M HA 0.015 4.498 4.480 0.005 0.000 0.266 189 M C 2.453 178.762 176.300 0.015 0.000 1.072 189 M CA 0.838 56.130 55.300 -0.014 0.000 1.132 189 M CB -0.557 32.020 32.600 -0.038 0.000 1.386 189 M HN 0.107 nan 8.290 nan 0.000 0.432 190 V N 0.710 120.632 119.914 0.013 0.000 2.358 190 V HA -0.279 3.844 4.120 0.005 0.000 0.246 190 V C 2.450 178.577 176.094 0.054 0.000 1.047 190 V CA 1.623 63.953 62.300 0.051 0.000 1.035 190 V CB -0.484 31.371 31.823 0.053 0.000 0.658 190 V HN 0.496 nan 8.190 nan 0.000 0.452 191 M N -0.520 119.097 119.600 0.028 0.000 2.159 191 M HA -0.239 4.244 4.480 0.005 0.000 0.263 191 M C 2.133 178.457 176.300 0.039 0.000 1.063 191 M CA 1.970 57.285 55.300 0.026 0.000 1.110 191 M CB -0.129 32.473 32.600 0.003 0.000 1.374 191 M HN 0.367 nan 8.290 nan 0.000 0.411 192 E N -0.018 120.207 120.200 0.040 0.000 2.152 192 E HA -0.132 4.221 4.350 0.005 0.000 0.192 192 E C 1.890 178.549 176.600 0.098 0.000 0.983 192 E CA 1.000 57.432 56.400 0.055 0.000 0.818 192 E CB 0.013 29.738 29.700 0.043 0.000 0.758 192 E HN 0.489 nan 8.360 nan 0.000 0.467 193 L N 0.299 121.593 121.223 0.118 0.000 2.109 193 L HA -0.116 4.227 4.340 0.005 0.000 0.207 193 L C 2.184 179.180 176.870 0.210 0.000 1.086 193 L CA 0.722 55.680 54.840 0.197 0.000 0.760 193 L CB -0.141 42.029 42.059 0.185 0.000 0.910 193 L HN 0.171 nan 8.230 nan 0.000 0.437 194 I N -0.505 120.152 120.570 0.146 0.000 2.113 194 I HA -0.334 3.839 4.170 0.005 0.000 0.238 194 I C 2.684 178.863 176.117 0.103 0.000 1.070 194 I CA 1.182 62.557 61.300 0.126 0.000 1.332 194 I CB -0.244 37.809 38.000 0.088 0.000 1.044 194 I HN 0.172 nan 8.210 nan 0.000 0.402 195 R N 0.416 120.958 120.500 0.069 0.000 2.244 195 R HA -0.259 4.084 4.340 0.005 0.000 0.252 195 R C 2.215 178.532 176.300 0.029 0.000 1.177 195 R CA 1.808 57.928 56.100 0.034 0.000 1.004 195 R CB -0.206 30.106 30.300 0.019 0.000 0.873 195 R HN 0.412 nan 8.270 nan 0.000 0.469 196 M N -0.857 118.799 119.600 0.094 0.000 2.429 196 M HA 0.027 4.510 4.480 0.005 0.000 0.265 196 M C 1.704 178.119 176.300 0.190 0.000 1.120 196 M CA 1.236 56.609 55.300 0.121 0.000 1.173 196 M CB 0.165 32.913 32.600 0.247 0.000 1.343 196 M HN 0.119 nan 8.290 nan 0.000 0.464 197 I N 0.674 121.399 120.570 0.259 0.000 2.264 197 I HA -0.317 3.856 4.170 0.005 0.000 0.248 197 I C 2.161 178.398 176.117 0.200 0.000 1.111 197 I CA 1.380 62.865 61.300 0.307 0.000 1.382 197 I CB -0.525 37.623 38.000 0.246 0.000 1.060 197 I HN 0.331 nan 8.210 nan 0.000 0.418 198 K N 0.540 121.001 120.400 0.101 0.000 2.063 198 K HA -0.161 4.161 4.320 0.005 0.000 0.208 198 K C 2.277 178.861 176.600 -0.027 0.000 1.048 198 K CA 1.177 57.488 56.287 0.040 0.000 0.928 198 K CB -0.097 32.412 32.500 0.015 0.000 0.713 198 K HN 0.206 nan 8.250 nan 0.000 0.442 199 R N -0.268 120.155 120.500 -0.129 0.000 2.113 199 R HA -0.156 4.187 4.340 0.005 0.000 0.244 199 R C 2.400 178.556 176.300 -0.239 0.000 1.142 199 R CA 1.844 57.757 56.100 -0.312 0.000 0.953 199 R CB -1.327 28.557 30.300 -0.693 0.000 0.860 199 R HN 0.389 nan 8.270 nan 0.000 0.438 200 G N 0.741 109.510 108.800 -0.053 0.000 2.443 200 G HA2 -0.179 3.784 3.960 0.005 0.000 0.219 200 G HA3 -0.179 3.784 3.960 0.005 0.000 0.219 200 G C 1.536 176.539 174.900 0.172 0.000 1.131 200 G CA 0.320 45.527 45.100 0.179 0.000 0.775 200 G HN 0.181 nan 8.290 nan 0.000 0.547 201 I N 1.235 121.883 120.570 0.130 0.000 2.233 201 I HA -0.065 4.108 4.170 0.005 0.000 0.243 201 I C 1.290 177.434 176.117 0.044 0.000 1.093 201 I CA 0.739 62.095 61.300 0.093 0.000 1.380 201 I CB -0.032 38.012 38.000 0.074 0.000 1.067 201 I HN 0.024 nan 8.210 nan 0.000 0.413 202 N N 1.278 119.981 118.700 0.005 0.000 2.441 202 N HA 0.035 4.778 4.740 0.005 0.000 0.225 202 N C -0.541 174.949 175.510 -0.035 0.000 1.208 202 N CA 0.355 53.393 53.050 -0.020 0.000 0.847 202 N CB -0.221 38.242 38.487 -0.040 0.000 1.121 202 N HN 0.458 nan 8.380 nan 0.000 0.479 203 D N -1.360 119.034 120.400 -0.010 0.000 2.692 203 D HA 0.300 4.942 4.640 0.005 0.000 0.303 203 D C 0.525 176.843 176.300 0.030 0.000 1.278 203 D CA -0.590 53.403 54.000 -0.011 0.000 0.852 203 D CB 1.228 41.997 40.800 -0.052 0.000 1.375 203 D HN -0.180 nan 8.370 nan 0.000 0.453 204 R N -0.279 120.238 120.500 0.029 0.000 2.038 204 R HA 0.381 4.724 4.340 0.005 0.000 0.214 204 R C 0.678 177.016 176.300 0.064 0.000 1.249 204 R CA 0.226 56.352 56.100 0.043 0.000 1.025 204 R CB -0.048 30.268 30.300 0.026 0.000 0.911 204 R HN 0.272 nan 8.270 nan 0.000 0.456 205 N N 0.423 119.156 118.700 0.055 0.000 2.338 205 N HA 0.038 4.780 4.740 0.005 0.000 0.251 205 N C 0.207 175.746 175.510 0.048 0.000 1.199 205 N CA -0.061 53.022 53.050 0.055 0.000 0.879 205 N CB 0.651 39.160 38.487 0.038 0.000 1.159 205 N HN 0.054 nan 8.380 nan 0.000 0.514 206 F N 0.353 120.195 119.950 -0.180 0.000 2.161 206 F HA -0.084 4.446 4.527 0.005 0.000 0.300 206 F C 1.325 176.889 175.800 -0.393 0.000 1.089 206 F CA 1.345 59.128 58.000 -0.362 0.000 1.282 206 F CB -0.124 38.542 39.000 -0.557 0.000 1.010 206 F HN 0.057 nan 8.300 nan 0.000 0.485 207 W N 0.752 121.911 121.300 -0.234 0.000 2.576 207 W HA 0.066 4.729 4.660 0.005 0.000 0.275 207 W C 2.334 178.743 176.519 -0.183 0.000 1.241 207 W CA 0.608 57.753 57.345 -0.332 0.000 1.328 207 W CB -0.083 29.228 29.460 -0.249 0.000 1.092 207 W HN -0.109 nan 8.180 nan 0.000 0.586 208 R N 0.063 120.629 120.500 0.111 0.000 2.308 208 R HA 0.306 4.649 4.340 0.005 0.000 0.202 208 R C 1.250 177.574 176.300 0.039 0.000 0.898 208 R CA 0.466 56.611 56.100 0.074 0.000 1.046 208 R CB -0.699 29.643 30.300 0.070 0.000 1.026 208 R HN -0.025 nan 8.270 nan 0.000 0.512 209 G N 1.446 110.261 108.800 0.025 0.000 2.570 209 G HA2 -0.075 3.888 3.960 0.005 0.000 0.276 209 G HA3 -0.075 3.888 3.960 0.005 0.000 0.276 209 G C 0.324 175.233 174.900 0.016 0.000 1.346 209 G CA -0.072 45.038 45.100 0.018 0.000 1.034 209 G HN 0.173 nan 8.290 nan 0.000 0.512 210 E N 0.000 120.209 120.200 0.015 0.000 2.028 210 E HA -0.160 4.193 4.350 0.005 0.000 0.191 210 E C 2.260 178.869 176.600 0.015 0.000 0.988 210 E CA 1.897 58.306 56.400 0.016 0.000 0.799 210 E CB -0.533 29.176 29.700 0.015 0.000 0.755 210 E HN 0.672 nan 8.360 nan 0.000 0.447 211 N N -0.492 118.217 118.700 0.014 0.000 2.609 211 N HA -0.066 4.677 4.740 0.005 0.000 0.190 211 N C 1.680 177.185 175.510 -0.007 0.000 1.157 211 N CA 0.615 53.674 53.050 0.015 0.000 0.918 211 N CB -0.069 38.432 38.487 0.024 0.000 0.978 211 N HN 0.215 nan 8.380 nan 0.000 0.448 212 G N 1.438 110.228 108.800 -0.017 0.000 2.430 212 G HA2 -0.123 3.840 3.960 0.005 0.000 0.216 212 G HA3 -0.123 3.840 3.960 0.005 0.000 0.216 212 G C 1.854 176.756 174.900 0.004 0.000 1.146 212 G CA -0.027 45.038 45.100 -0.057 0.000 0.793 212 G HN 0.155 nan 8.290 nan 0.000 0.537 213 R N 0.217 120.732 120.500 0.025 0.000 2.119 213 R HA 0.116 4.459 4.340 0.005 0.000 0.222 213 R C 2.654 178.984 176.300 0.050 0.000 1.088 213 R CA 0.423 56.548 56.100 0.043 0.000 0.984 213 R CB -0.307 30.012 30.300 0.030 0.000 0.884 213 R HN 0.323 nan 8.270 nan 0.000 0.447 214 R N -0.031 120.491 120.500 0.037 0.000 2.062 214 R HA -0.081 4.262 4.340 0.005 0.000 0.231 214 R C 2.306 178.644 176.300 0.064 0.000 1.136 214 R CA 2.068 58.195 56.100 0.045 0.000 0.948 214 R CB -0.622 29.700 30.300 0.036 0.000 0.845 214 R HN 0.313 nan 8.270 nan 0.000 0.430 215 T N -0.836 113.740 114.554 0.037 0.000 2.929 215 T HA -0.127 4.226 4.350 0.005 0.000 0.271 215 T C 1.832 176.640 174.700 0.180 0.000 1.085 215 T CA 1.055 63.186 62.100 0.051 0.000 1.125 215 T CB -0.119 68.674 68.868 -0.125 0.000 0.874 215 T HN 0.063 nan 8.240 nan 0.000 0.494 216 R N 2.183 122.803 120.500 0.201 0.000 2.073 216 R HA 0.047 4.390 4.340 0.005 0.000 0.234 216 R C 2.430 178.865 176.300 0.226 0.000 1.134 216 R CA 1.820 58.085 56.100 0.275 0.000 0.952 216 R CB -1.022 29.368 30.300 0.150 0.000 0.850 216 R HN 0.742 nan 8.270 nan 0.000 0.433 217 I N -1.754 118.902 120.570 0.143 0.000 2.493 217 I HA 0.078 4.251 4.170 0.005 0.000 0.254 217 I C 1.958 178.145 176.117 0.117 0.000 1.160 217 I CA 1.555 62.918 61.300 0.106 0.000 1.445 217 I CB -0.342 37.700 38.000 0.069 0.000 1.086 217 I HN 0.146 nan 8.210 nan 0.000 0.433 218 A N 0.674 123.585 122.820 0.151 0.000 1.897 218 A HA -0.156 4.167 4.320 0.005 0.000 0.215 218 A C 2.290 179.995 177.584 0.200 0.000 1.181 218 A CA 1.413 53.540 52.037 0.149 0.000 0.620 218 A CB -1.135 17.955 19.000 0.149 0.000 0.821 218 A HN 0.661 nan 8.150 nan 0.000 0.443 219 Y N 0.975 121.364 120.300 0.149 0.000 2.070 219 Y HA -0.236 4.317 4.550 0.005 0.000 0.280 219 Y C 2.189 178.143 175.900 0.089 0.000 1.148 219 Y CA 2.278 60.477 58.100 0.165 0.000 1.125 219 Y CB -0.673 37.939 38.460 0.253 0.000 0.975 219 Y HN 0.471 nan 8.280 nan 0.000 0.492 220 E N 0.076 120.279 120.200 0.006 0.000 2.068 220 E HA -0.360 3.993 4.350 0.005 0.000 0.207 220 E C 2.428 178.971 176.600 -0.094 0.000 1.032 220 E CA 1.847 58.180 56.400 -0.112 0.000 0.839 220 E CB -0.408 29.295 29.700 0.005 0.000 0.758 220 E HN 0.412 nan 8.360 nan 0.000 0.457 221 R N 0.534 121.026 120.500 -0.013 0.000 2.096 221 R HA -0.195 4.148 4.340 0.005 0.000 0.240 221 R C 2.342 178.628 176.300 -0.023 0.000 1.139 221 R CA 1.831 57.927 56.100 -0.006 0.000 0.952 221 R CB -0.229 30.085 30.300 0.024 0.000 0.854 221 R HN 0.238 nan 8.270 nan 0.000 0.436 222 M N -0.210 119.379 119.600 -0.018 0.000 2.149 222 M HA -0.226 4.257 4.480 0.005 0.000 0.261 222 M C 2.509 178.770 176.300 -0.065 0.000 1.064 222 M CA 1.425 56.714 55.300 -0.019 0.000 1.102 222 M CB -0.207 32.409 32.600 0.027 0.000 1.369 222 M HN 0.370 nan 8.290 nan 0.000 0.408 223 C N 0.550 119.759 119.300 -0.150 0.000 2.446 223 C HA -0.104 4.359 4.460 0.005 0.000 0.277 223 C C 2.362 177.318 174.990 -0.056 0.000 1.275 223 C CA 0.797 59.726 59.018 -0.148 0.000 1.727 223 C CB -1.342 26.234 27.740 -0.273 0.000 2.010 223 C HN 0.573 nan 8.230 nan 0.000 0.486 224 N N 1.359 120.028 118.700 -0.053 0.000 2.381 224 N HA -0.042 4.701 4.740 0.005 0.000 0.182 224 N C 1.489 176.995 175.510 -0.006 0.000 1.025 224 N CA 1.001 54.041 53.050 -0.017 0.000 0.888 224 N CB -0.267 38.210 38.487 -0.018 0.000 0.965 224 N HN 0.384 nan 8.380 nan 0.000 0.438 225 I N 1.236 121.796 120.570 -0.016 0.000 2.202 225 I HA -0.144 4.029 4.170 0.005 0.000 0.242 225 I C 2.367 178.464 176.117 -0.033 0.000 1.091 225 I CA 0.604 61.892 61.300 -0.020 0.000 1.368 225 I CB -1.278 36.710 38.000 -0.020 0.000 1.058 225 I HN 0.131 nan 8.210 nan 0.000 0.410 226 L N 0.688 121.893 121.223 -0.029 0.000 2.005 226 L HA -0.248 4.095 4.340 0.005 0.000 0.207 226 L C 2.686 179.570 176.870 0.023 0.000 1.072 226 L CA 1.634 56.442 54.840 -0.053 0.000 0.744 226 L CB -0.330 41.737 42.059 0.014 0.000 0.895 226 L HN 0.233 nan 8.230 nan 0.000 0.433 227 K N -0.232 120.251 120.400 0.139 0.000 2.089 227 K HA -0.214 4.109 4.320 0.005 0.000 0.210 227 K C 1.828 178.524 176.600 0.159 0.000 1.048 227 K CA 1.826 58.251 56.287 0.231 0.000 0.926 227 K CB -0.502 32.063 32.500 0.108 0.000 0.714 227 K HN 0.428 nan 8.250 nan 0.000 0.448 228 G N 0.701 109.536 108.800 0.059 0.000 2.450 228 G HA2 -0.252 3.711 3.960 0.005 0.000 0.220 228 G HA3 -0.252 3.711 3.960 0.005 0.000 0.220 228 G C 1.196 176.099 174.900 0.005 0.000 1.130 228 G CA 1.010 46.129 45.100 0.030 0.000 0.760 228 G HN 0.362 nan 8.290 nan 0.000 0.557 229 K N -0.612 119.746 120.400 -0.071 0.000 2.155 229 K HA 0.114 4.436 4.320 0.005 0.000 0.203 229 K C 0.313 176.823 176.600 -0.149 0.000 1.052 229 K CA -0.123 56.074 56.287 -0.150 0.000 0.948 229 K CB -0.048 32.293 32.500 -0.265 0.000 0.728 229 K HN 0.320 nan 8.250 nan 0.000 0.448 230 F N 1.698 121.648 119.950 -0.000 0.000 2.518 230 F HA -0.066 4.464 4.527 0.005 0.000 0.359 230 F C 1.798 177.600 175.800 0.003 0.000 1.118 230 F CA 0.177 58.177 58.000 0.000 0.000 1.287 230 F CB 0.690 39.690 39.000 -0.000 0.000 1.132 230 F HN -0.002 nan 8.300 nan 0.000 0.587 231 Q N 0.536 120.473 119.800 0.229 0.000 2.287 231 Q HA 0.012 4.355 4.340 0.005 0.000 0.201 231 Q C 0.835 176.888 176.000 0.088 0.000 0.946 231 Q CA 0.603 56.478 55.803 0.119 0.000 0.868 231 Q CB 0.258 29.043 28.738 0.078 0.000 0.967 231 Q HN 0.771 nan 8.270 nan 0.000 0.516 232 T N -1.808 112.795 114.554 0.082 0.000 2.907 232 T HA 0.383 4.736 4.350 0.005 0.000 0.298 232 T C 1.099 175.805 174.700 0.011 0.000 1.017 232 T CA 0.084 62.202 62.100 0.031 0.000 1.118 232 T CB 1.591 70.465 68.868 0.011 0.000 0.948 232 T HN 0.197 nan 8.240 nan 0.000 0.531 233 A N 3.553 126.373 122.820 0.000 0.000 1.865 233 A HA 0.118 4.441 4.320 0.005 0.000 0.217 233 A C 2.715 180.277 177.584 -0.037 0.000 1.191 233 A CA 1.984 54.015 52.037 -0.011 0.000 0.623 233 A CB -1.565 17.430 19.000 -0.009 0.000 0.826 233 A HN 1.392 nan 8.150 nan 0.000 0.444 234 A N -1.211 121.584 122.820 -0.041 0.000 1.978 234 A HA -0.255 4.068 4.320 0.005 0.000 0.220 234 A C 2.133 179.657 177.584 -0.101 0.000 1.170 234 A CA 1.890 53.894 52.037 -0.055 0.000 0.636 234 A CB -0.553 18.425 19.000 -0.037 0.000 0.810 234 A HN 0.667 nan 8.150 nan 0.000 0.448 235 Q N -0.393 119.322 119.800 -0.142 0.000 2.291 235 Q HA -0.140 4.203 4.340 0.005 0.000 0.205 235 Q C 1.787 177.506 176.000 -0.469 0.000 0.970 235 Q CA 1.539 57.139 55.803 -0.339 0.000 0.876 235 Q CB 0.023 28.548 28.738 -0.355 0.000 0.935 235 Q HN 0.845 nan 8.270 nan 0.000 0.455 236 K N -2.132 118.141 120.400 -0.211 0.000 2.348 236 K HA 0.250 4.573 4.320 0.005 0.000 0.194 236 K C 1.846 178.398 176.600 -0.081 0.000 1.052 236 K CA 0.648 56.866 56.287 -0.114 0.000 1.004 236 K CB 0.141 32.656 32.500 0.025 0.000 0.873 236 K HN 0.020 nan 8.250 nan 0.000 0.523 237 A N 2.321 125.095 122.820 -0.078 0.000 1.940 237 A HA -0.132 4.191 4.320 0.005 0.000 0.219 237 A C 2.198 179.741 177.584 -0.068 0.000 1.176 237 A CA 1.631 53.633 52.037 -0.058 0.000 0.631 237 A CB -0.500 18.469 19.000 -0.052 0.000 0.814 237 A HN 0.409 nan 8.150 nan 0.000 0.446 238 M N -1.653 117.889 119.600 -0.097 0.000 2.319 238 M HA -0.041 4.441 4.480 0.005 0.000 0.265 238 M C 1.862 178.117 176.300 -0.076 0.000 1.068 238 M CA 1.221 56.466 55.300 -0.092 0.000 1.118 238 M CB -0.080 32.456 32.600 -0.107 0.000 1.395 238 M HN 0.296 nan 8.290 nan 0.000 0.435 239 M N 0.223 119.771 119.600 -0.086 0.000 2.175 239 M HA -0.169 4.314 4.480 0.005 0.000 0.264 239 M C 1.357 177.639 176.300 -0.030 0.000 1.063 239 M CA 1.510 56.792 55.300 -0.030 0.000 1.119 239 M CB -1.226 31.393 32.600 0.031 0.000 1.377 239 M HN 0.212 nan 8.290 nan 0.000 0.415 240 D N 0.259 120.638 120.400 -0.035 0.000 2.123 240 D HA -0.174 4.469 4.640 0.005 0.000 0.196 240 D C 2.103 178.384 176.300 -0.032 0.000 0.992 240 D CA 1.139 55.119 54.000 -0.034 0.000 0.833 240 D CB -0.184 40.598 40.800 -0.030 0.000 0.954 240 D HN 0.484 nan 8.370 nan 0.000 0.455 241 Q N 0.088 119.867 119.800 -0.034 0.000 2.167 241 Q HA -0.064 4.279 4.340 0.005 0.000 0.202 241 Q C 2.397 178.389 176.000 -0.013 0.000 0.970 241 Q CA 0.718 56.504 55.803 -0.029 0.000 0.855 241 Q CB 0.126 28.841 28.738 -0.040 0.000 0.911 241 Q HN 0.231 nan 8.270 nan 0.000 0.438 242 V N 1.031 120.943 119.914 -0.003 0.000 2.358 242 V HA -0.241 3.882 4.120 0.005 0.000 0.246 242 V C 2.362 178.493 176.094 0.062 0.000 1.047 242 V CA 1.910 64.233 62.300 0.039 0.000 1.035 242 V CB -0.622 31.231 31.823 0.050 0.000 0.658 242 V HN 0.301 nan 8.190 nan 0.000 0.452 243 R N 0.253 120.738 120.500 -0.023 0.000 2.075 243 R HA -0.152 4.191 4.340 0.005 0.000 0.232 243 R C 2.241 178.555 176.300 0.023 0.000 1.126 243 R CA 1.652 57.713 56.100 -0.064 0.000 0.963 243 R CB -0.167 30.049 30.300 -0.141 0.000 0.858 243 R HN 0.597 nan 8.270 nan 0.000 0.435 244 E N 0.306 120.503 120.200 -0.005 0.000 2.265 244 E HA -0.093 4.260 4.350 0.005 0.000 0.196 244 E C 0.348 176.934 176.600 -0.024 0.000 0.996 244 E CA 0.386 56.778 56.400 -0.015 0.000 0.832 244 E CB 0.025 29.711 29.700 -0.024 0.000 0.756 244 E HN 0.089 nan 8.360 nan 0.000 0.491 245 S N 1.411 117.103 115.700 -0.013 0.000 2.898 245 S HA -0.023 4.450 4.470 0.005 0.000 0.324 245 S C 1.132 175.649 174.600 -0.138 0.000 1.171 245 S CA -0.431 57.736 58.200 -0.055 0.000 1.288 245 S CB -0.103 63.077 63.200 -0.034 0.000 1.490 245 S HN 0.105 nan 8.310 nan 0.000 0.570 246 R N 2.962 123.372 120.500 -0.149 0.000 2.134 246 R HA -0.086 4.257 4.340 0.005 0.000 0.248 246 R C 0.906 176.959 176.300 -0.411 0.000 1.143 246 R CA 1.163 57.130 56.100 -0.221 0.000 0.957 246 R CB -0.922 29.289 30.300 -0.148 0.000 0.867 246 R HN 0.587 nan 8.270 nan 0.000 0.441 247 N N 1.227 119.718 118.700 -0.348 0.000 3.044 247 N HA 0.147 4.890 4.740 0.005 0.000 0.254 247 N C -2.537 172.746 175.510 -0.377 0.000 1.253 247 N CA -1.738 51.047 53.050 -0.442 0.000 0.944 247 N CB 0.903 39.261 38.487 -0.215 0.000 1.217 247 N HN -0.008 nan 8.380 nan 0.000 0.498 248 P HA 0.245 nan 4.420 nan 0.000 0.271 248 P C 0.109 177.367 177.300 -0.070 0.000 1.216 248 P CA 0.003 62.941 63.100 -0.270 0.000 0.776 248 P CB 1.530 32.999 31.700 -0.384 0.000 0.881 249 G N 1.610 110.409 108.800 -0.002 0.000 3.247 249 G HA2 0.103 4.066 3.960 0.005 0.000 0.226 249 G HA3 0.103 4.066 3.960 0.005 0.000 0.226 249 G C 0.727 175.661 174.900 0.058 0.000 1.220 249 G CA -0.269 44.861 45.100 0.050 0.000 0.875 249 G HN 0.403 nan 8.290 nan 0.000 0.606 250 N N -0.142 118.588 118.700 0.050 0.000 2.223 250 N HA -0.101 4.642 4.740 0.005 0.000 0.185 250 N C 2.363 177.897 175.510 0.039 0.000 1.016 250 N CA 1.543 54.621 53.050 0.047 0.000 0.863 250 N CB -0.237 38.272 38.487 0.036 0.000 0.983 250 N HN 0.444 nan 8.380 nan 0.000 0.429 251 A N 0.750 123.586 122.820 0.026 0.000 1.898 251 A HA -0.097 4.226 4.320 0.005 0.000 0.216 251 A C 2.087 179.686 177.584 0.025 0.000 1.181 251 A CA 1.352 53.398 52.037 0.015 0.000 0.620 251 A CB -0.446 18.554 19.000 -0.000 0.000 0.819 251 A HN 0.233 nan 8.150 nan 0.000 0.442 252 E N 0.338 120.560 120.200 0.036 0.000 2.085 252 E HA -0.150 4.203 4.350 0.005 0.000 0.194 252 E C 1.747 178.398 176.600 0.085 0.000 0.994 252 E CA 1.243 57.680 56.400 0.062 0.000 0.801 252 E CB -0.462 29.286 29.700 0.080 0.000 0.743 252 E HN 0.724 nan 8.360 nan 0.000 0.453 253 I N 0.936 121.557 120.570 0.086 0.000 2.361 253 I HA -0.231 3.942 4.170 0.005 0.000 0.251 253 I C 1.875 178.041 176.117 0.083 0.000 1.133 253 I CA 0.976 62.332 61.300 0.093 0.000 1.413 253 I CB -0.257 37.793 38.000 0.084 0.000 1.073 253 I HN 0.038 nan 8.210 nan 0.000 0.424 254 E N 0.830 121.069 120.200 0.065 0.000 2.107 254 E HA -0.165 4.188 4.350 0.005 0.000 0.191 254 E C 1.743 178.397 176.600 0.089 0.000 0.982 254 E CA 0.954 57.394 56.400 0.066 0.000 0.809 254 E CB -0.408 29.316 29.700 0.040 0.000 0.756 254 E HN 0.492 nan 8.360 nan 0.000 0.459 255 D N 0.556 120.995 120.400 0.065 0.000 2.149 255 D HA -0.140 4.503 4.640 0.005 0.000 0.198 255 D C 2.129 178.523 176.300 0.156 0.000 0.990 255 D CA 0.782 54.824 54.000 0.069 0.000 0.839 255 D CB -0.005 40.810 40.800 0.024 0.000 0.948 255 D HN 0.204 nan 8.370 nan 0.000 0.460 256 L N 0.511 121.818 121.223 0.140 0.000 2.109 256 L HA -0.061 4.282 4.340 0.005 0.000 0.207 256 L C 2.615 179.579 176.870 0.156 0.000 1.086 256 L CA 0.420 55.353 54.840 0.155 0.000 0.760 256 L CB -0.215 41.927 42.059 0.139 0.000 0.910 256 L HN -0.031 nan 8.230 nan 0.000 0.437 257 I N -0.641 120.011 120.570 0.137 0.000 2.163 257 I HA -0.351 3.822 4.170 0.005 0.000 0.243 257 I C 2.524 178.720 176.117 0.132 0.000 1.085 257 I CA 1.549 62.915 61.300 0.110 0.000 1.347 257 I CB -0.312 37.743 38.000 0.093 0.000 1.044 257 I HN 0.152 nan 8.210 nan 0.000 0.408 258 F N 1.632 121.597 119.950 0.025 0.000 2.065 258 F HA -0.285 4.245 4.527 0.005 0.000 0.298 258 F C 2.258 178.072 175.800 0.023 0.000 1.112 258 F CA 1.832 59.840 58.000 0.014 0.000 1.212 258 F CB -0.351 38.648 39.000 -0.001 0.000 0.975 258 F HN -0.115 nan 8.300 nan 0.000 0.476 259 L N -0.058 121.296 121.223 0.217 0.000 1.989 259 L HA -0.260 4.083 4.340 0.005 0.000 0.211 259 L C 2.846 179.798 176.870 0.136 0.000 1.071 259 L CA 1.403 56.321 54.840 0.130 0.000 0.749 259 L CB -1.263 40.910 42.059 0.191 0.000 0.890 259 L HN 0.293 nan 8.230 nan 0.000 0.431 260 A N -0.023 122.877 122.820 0.133 0.000 1.859 260 A HA -0.316 4.007 4.320 0.005 0.000 0.217 260 A C 2.401 179.979 177.584 -0.010 0.000 1.198 260 A CA 2.275 54.354 52.037 0.071 0.000 0.629 260 A CB -0.758 18.266 19.000 0.041 0.000 0.830 260 A HN 0.366 nan 8.150 nan 0.000 0.446 261 R N 0.030 120.491 120.500 -0.064 0.000 2.103 261 R HA -0.171 4.172 4.340 0.005 0.000 0.242 261 R C 2.484 178.681 176.300 -0.172 0.000 1.142 261 R CA 2.074 58.102 56.100 -0.121 0.000 0.960 261 R CB -0.347 29.867 30.300 -0.144 0.000 0.858 261 R HN 0.681 nan 8.270 nan 0.000 0.439 262 S N -0.503 115.034 115.700 -0.270 0.000 2.469 262 S HA -0.059 4.414 4.470 0.005 0.000 0.238 262 S C 1.692 176.243 174.600 -0.082 0.000 0.998 262 S CA 0.928 58.970 58.200 -0.264 0.000 0.957 262 S CB 0.031 63.012 63.200 -0.364 0.000 0.764 262 S HN 0.426 nan 8.310 nan 0.000 0.514 263 A N 0.494 123.311 122.820 -0.006 0.000 2.278 263 A HA 0.509 4.832 4.320 0.005 0.000 0.212 263 A C 1.669 179.247 177.584 -0.010 0.000 1.213 263 A CA -0.052 52.017 52.037 0.052 0.000 0.840 263 A CB -0.521 18.533 19.000 0.091 0.000 0.866 263 A HN 0.577 nan 8.150 nan 0.000 0.489 264 L N -0.770 120.428 121.223 -0.041 0.000 2.567 264 L HA 0.132 4.475 4.340 0.005 0.000 0.225 264 L C 1.450 178.302 176.870 -0.031 0.000 1.119 264 L CA 0.085 54.896 54.840 -0.048 0.000 0.871 264 L CB 0.053 42.068 42.059 -0.074 0.000 1.036 264 L HN 0.336 nan 8.230 nan 0.000 0.459 265 I N -1.216 119.337 120.570 -0.027 0.000 3.650 265 I HA 0.056 4.229 4.170 0.005 0.000 0.261 265 I C 1.079 177.192 176.117 -0.007 0.000 1.154 265 I CA 0.463 61.752 61.300 -0.019 0.000 1.418 265 I CB -0.164 37.817 38.000 -0.032 0.000 1.539 265 I HN -0.017 nan 8.210 nan 0.000 0.449 266 L N 4.657 125.881 121.223 0.001 0.000 2.583 266 L HA 0.218 4.561 4.340 0.005 0.000 0.239 266 L C 0.608 177.517 176.870 0.065 0.000 1.347 266 L CA -0.250 54.607 54.840 0.028 0.000 1.246 266 L CB -0.823 41.255 42.059 0.032 0.000 1.496 266 L HN 0.245 nan 8.230 nan 0.000 0.413 267 R N -0.056 120.466 120.500 0.038 0.000 2.590 267 R HA 0.356 4.699 4.340 0.005 0.000 0.274 267 R C 0.373 176.697 176.300 0.039 0.000 1.061 267 R CA -0.230 55.892 56.100 0.035 0.000 1.081 267 R CB 0.201 30.520 30.300 0.031 0.000 0.984 267 R HN 0.257 nan 8.270 nan 0.000 0.448 268 G N 0.962 109.757 108.800 -0.008 0.000 2.507 268 G HA2 0.140 4.103 3.960 0.005 0.000 0.271 268 G HA3 0.140 4.103 3.960 0.005 0.000 0.271 268 G C -0.632 174.253 174.900 -0.024 0.000 1.189 268 G CA -0.826 44.239 45.100 -0.057 0.000 0.859 268 G HN 0.550 nan 8.290 nan 0.000 0.542 269 S N 1.012 116.706 115.700 -0.010 0.000 2.423 269 S HA 0.218 4.691 4.470 0.005 0.000 0.302 269 S C 0.252 174.849 174.600 -0.006 0.000 1.143 269 S CA -0.282 57.936 58.200 0.029 0.000 1.080 269 S CB -0.202 63.025 63.200 0.044 0.000 1.081 269 S HN 0.291 nan 8.310 nan 0.000 0.522 270 I N 2.802 123.372 120.570 -0.001 0.000 2.392 270 I HA 0.390 4.563 4.170 0.005 0.000 0.295 270 I C 0.672 176.710 176.117 -0.131 0.000 0.985 270 I CA -1.217 60.025 61.300 -0.096 0.000 1.221 270 I CB 0.891 38.794 38.000 -0.162 0.000 1.366 270 I HN 0.480 nan 8.210 nan 0.000 0.467 271 A N 6.749 129.494 122.820 -0.124 0.000 2.451 271 A HA 0.223 4.546 4.320 0.005 0.000 0.266 271 A C -0.184 177.282 177.584 -0.197 0.000 1.119 271 A CA -0.006 51.986 52.037 -0.076 0.000 0.786 271 A CB -0.328 18.659 19.000 -0.022 0.000 1.061 271 A HN 0.687 nan 8.150 nan 0.000 0.503 272 H N 2.492 121.608 119.070 0.076 0.000 2.481 272 H HA 0.430 4.989 4.556 0.005 0.000 0.333 272 H C -0.461 174.913 175.328 0.077 0.000 1.066 272 H CA -0.211 55.885 56.048 0.080 0.000 1.209 272 H CB 1.444 31.258 29.762 0.086 0.000 1.445 272 H HN 0.666 nan 8.280 nan 0.000 0.488 273 K N 1.245 121.746 120.400 0.169 0.000 2.435 273 K HA 0.388 4.711 4.320 0.005 0.000 0.251 273 K C -0.576 176.085 176.600 0.102 0.000 0.954 273 K CA -0.774 55.594 56.287 0.135 0.000 0.820 273 K CB 2.394 34.970 32.500 0.125 0.000 1.292 273 K HN 0.327 nan 8.250 nan 0.000 0.436 274 S N 1.593 117.342 115.700 0.081 0.000 2.474 274 S HA 0.280 4.753 4.470 0.005 0.000 0.320 274 S C -0.856 173.778 174.600 0.056 0.000 1.067 274 S CA -0.655 57.521 58.200 -0.040 0.000 1.127 274 S CB -0.145 62.952 63.200 -0.172 0.000 0.971 274 S HN 0.483 nan 8.310 nan 0.000 0.472 275 C N 4.714 124.031 119.300 0.028 0.000 2.379 275 C HA 0.725 5.188 4.460 0.005 0.000 0.323 275 C C -0.157 174.733 174.990 -0.168 0.000 1.262 275 C CA -1.101 57.921 59.018 0.006 0.000 1.581 275 C CB -0.367 27.192 27.740 -0.302 0.000 2.221 275 C HN 0.637 nan 8.230 nan 0.000 0.497 276 L N 3.571 124.562 121.223 -0.387 0.000 2.313 276 L HA 0.679 5.022 4.340 0.005 0.000 0.268 276 L C -2.370 173.607 176.870 -1.489 0.000 1.010 276 L CA -1.835 52.415 54.840 -0.983 0.000 0.814 276 L CB 0.193 41.759 42.059 -0.821 0.000 1.304 276 L HN 0.342 nan 8.230 nan 0.000 0.441 277 P HA 0.086 nan 4.420 nan 0.000 0.269 277 P C -0.041 176.714 177.300 -0.909 0.000 1.209 277 P CA -0.190 62.140 63.100 -1.284 0.000 0.776 277 P CB 0.678 31.875 31.700 -0.837 0.000 0.876 278 A N 2.266 124.732 122.820 -0.591 0.000 2.076 278 A HA -0.234 4.089 4.320 0.005 0.000 0.220 278 A C 2.026 179.055 177.584 -0.925 0.000 1.160 278 A CA 2.007 53.745 52.037 -0.498 0.000 0.653 278 A CB -1.755 17.144 19.000 -0.167 0.000 0.801 278 A HN 0.771 nan 8.150 nan 0.000 0.455 279 C N -2.276 116.372 119.300 -1.086 0.000 2.475 279 C HA 0.096 4.558 4.460 0.005 0.000 0.279 279 C C 2.335 177.059 174.990 -0.443 0.000 1.322 279 C CA 0.536 58.975 59.018 -0.965 0.000 1.734 279 C CB -1.509 25.950 27.740 -0.467 0.000 2.005 279 C HN 0.320 nan 8.230 nan 0.000 0.495 280 V N 0.726 120.338 119.914 -0.503 0.000 2.255 280 V HA -0.277 3.846 4.120 0.005 0.000 0.247 280 V C 2.457 178.413 176.094 -0.230 0.000 1.051 280 V CA 2.396 64.465 62.300 -0.386 0.000 1.018 280 V CB -1.276 30.226 31.823 -0.534 0.000 0.641 280 V HN 0.615 nan 8.190 nan 0.000 0.445 281 Y N 1.086 121.219 120.300 -0.278 0.000 2.333 281 Y HA -0.097 4.456 4.550 0.005 0.000 0.290 281 Y C 2.524 178.349 175.900 -0.125 0.000 1.144 281 Y CA 0.449 58.370 58.100 -0.298 0.000 1.228 281 Y CB -0.659 37.531 38.460 -0.450 0.000 0.985 281 Y HN 0.341 nan 8.280 nan 0.000 0.542 282 G N 0.922 109.734 108.800 0.020 0.000 2.575 282 G HA2 -0.226 3.737 3.960 0.005 0.000 0.215 282 G HA3 -0.226 3.737 3.960 0.005 0.000 0.215 282 G C 1.446 176.442 174.900 0.160 0.000 1.262 282 G CA 1.098 46.297 45.100 0.164 0.000 0.807 282 G HN 0.308 nan 8.290 nan 0.000 0.567 283 L N 1.154 122.446 121.223 0.114 0.000 2.187 283 L HA -0.006 4.336 4.340 0.005 0.000 0.213 283 L C 3.290 180.228 176.870 0.113 0.000 1.100 283 L CA 0.861 55.766 54.840 0.107 0.000 0.765 283 L CB -0.597 41.505 42.059 0.071 0.000 0.904 283 L HN 0.303 nan 8.230 nan 0.000 0.437 284 A N 0.424 123.323 122.820 0.132 0.000 1.835 284 A HA -0.154 4.168 4.320 0.005 0.000 0.215 284 A C 2.392 180.128 177.584 0.253 0.000 1.199 284 A CA 1.992 54.134 52.037 0.174 0.000 0.615 284 A CB -1.023 18.127 19.000 0.250 0.000 0.838 284 A HN 0.125 nan 8.150 nan 0.000 0.444 285 V N 0.055 120.171 119.914 0.336 0.000 2.278 285 V HA -0.323 3.800 4.120 0.005 0.000 0.251 285 V C 2.998 179.199 176.094 0.179 0.000 1.062 285 V CA 2.248 64.721 62.300 0.289 0.000 1.038 285 V CB -1.296 30.662 31.823 0.225 0.000 0.646 285 V HN 0.644 nan 8.190 nan 0.000 0.447 286 A N -1.403 121.506 122.820 0.148 0.000 2.121 286 A HA -0.134 4.189 4.320 0.005 0.000 0.218 286 A C 2.262 179.902 177.584 0.093 0.000 1.154 286 A CA 1.663 53.764 52.037 0.106 0.000 0.679 286 A CB -0.388 18.671 19.000 0.099 0.000 0.795 286 A HN 0.452 nan 8.150 nan 0.000 0.458 287 S N -1.006 114.761 115.700 0.111 0.000 2.660 287 S HA 0.380 4.853 4.470 0.005 0.000 0.227 287 S C 1.078 175.726 174.600 0.080 0.000 0.948 287 S CA 0.812 59.067 58.200 0.092 0.000 0.948 287 S CB -0.749 62.511 63.200 0.100 0.000 0.779 287 S HN 1.682 nan 8.310 nan 0.000 0.487 288 G N 1.128 109.973 108.800 0.074 0.000 2.212 288 G HA2 -0.273 3.690 3.960 0.005 0.000 0.255 288 G HA3 -0.273 3.690 3.960 0.005 0.000 0.255 288 G C -0.371 174.526 174.900 -0.005 0.000 1.062 288 G CA -0.057 45.059 45.100 0.026 0.000 0.815 288 G HN 0.550 nan 8.290 nan 0.000 0.497 289 Y N 1.329 121.591 120.300 -0.063 0.000 2.417 289 Y HA 0.456 5.009 4.550 0.005 0.000 0.336 289 Y C 0.171 175.984 175.900 -0.145 0.000 0.961 289 Y CA -1.570 56.421 58.100 -0.181 0.000 1.215 289 Y CB 1.103 39.363 38.460 -0.334 0.000 1.120 289 Y HN 0.219 nan 8.280 nan 0.000 0.499 290 D N 5.406 125.778 120.400 -0.046 0.000 2.422 290 D HA -0.013 4.630 4.640 0.005 0.000 0.227 290 D C 0.640 177.004 176.300 0.105 0.000 1.190 290 D CA 0.183 54.212 54.000 0.049 0.000 0.905 290 D CB 0.301 41.088 40.800 -0.021 0.000 1.034 290 D HN 0.574 nan 8.370 nan 0.000 0.507 291 F N 1.966 122.012 119.950 0.159 0.000 2.171 291 F HA -0.111 4.419 4.527 0.005 0.000 0.300 291 F C 2.453 178.297 175.800 0.074 0.000 1.090 291 F CA 0.939 59.024 58.000 0.141 0.000 1.293 291 F CB 0.112 39.084 39.000 -0.047 0.000 1.013 291 F HN 0.439 nan 8.300 nan 0.000 0.486 292 E N -0.156 120.160 120.200 0.193 0.000 2.347 292 E HA -0.149 4.204 4.350 0.005 0.000 0.196 292 E C 2.369 179.006 176.600 0.062 0.000 1.008 292 E CA 0.090 56.551 56.400 0.101 0.000 0.852 292 E CB 0.085 29.816 29.700 0.052 0.000 0.783 292 E HN 0.314 nan 8.360 nan 0.000 0.505 293 R N 0.897 121.422 120.500 0.041 0.000 2.082 293 R HA -0.127 4.216 4.340 0.005 0.000 0.228 293 R C 1.424 177.725 176.300 0.001 0.000 1.140 293 R CA 1.774 57.872 56.100 -0.004 0.000 0.920 293 R CB -0.014 30.255 30.300 -0.053 0.000 0.828 293 R HN 0.105 nan 8.270 nan 0.000 0.430 294 E N 0.452 120.656 120.200 0.006 0.000 2.496 294 E HA 0.145 4.498 4.350 0.005 0.000 0.202 294 E C 0.525 177.174 176.600 0.082 0.000 1.021 294 E CA 0.374 56.787 56.400 0.022 0.000 1.015 294 E CB -0.176 29.518 29.700 -0.010 0.000 1.102 294 E HN 0.487 nan 8.360 nan 0.000 0.452 295 G N 1.272 110.142 108.800 0.117 0.000 2.707 295 G HA2 -0.307 3.656 3.960 0.005 0.000 0.279 295 G HA3 -0.307 3.656 3.960 0.005 0.000 0.279 295 G C -0.975 174.079 174.900 0.258 0.000 1.345 295 G CA 0.257 45.453 45.100 0.159 0.000 0.912 295 G HN 0.536 nan 8.290 nan 0.000 0.563 296 Y N -0.165 120.174 120.300 0.066 0.000 2.274 296 Y HA 0.530 5.082 4.550 0.005 0.000 0.323 296 Y C 0.120 176.029 175.900 0.014 0.000 1.171 296 Y CA 0.012 58.151 58.100 0.064 0.000 1.163 296 Y CB 1.164 39.702 38.460 0.130 0.000 1.183 296 Y HN 1.141 nan 8.280 nan 0.000 0.424 297 S N 4.446 119.978 115.700 -0.280 0.000 2.580 297 S HA 0.246 4.719 4.470 0.005 0.000 0.274 297 S C 0.331 174.702 174.600 -0.382 0.000 1.329 297 S CA -0.336 57.731 58.200 -0.222 0.000 1.036 297 S CB 1.016 64.132 63.200 -0.139 0.000 0.919 297 S HN 0.816 nan 8.310 nan 0.000 0.515 298 L N 4.879 126.024 121.223 -0.131 0.000 2.408 298 L HA 0.235 4.578 4.340 0.005 0.000 0.215 298 L C 1.922 178.804 176.870 0.021 0.000 1.081 298 L CA 1.173 55.994 54.840 -0.032 0.000 0.840 298 L CB -0.067 42.051 42.059 0.099 0.000 1.002 298 L HN 0.775 nan 8.230 nan 0.000 0.468 299 V N -4.057 115.882 119.914 0.042 0.000 3.174 299 V HA 0.433 4.556 4.120 0.005 0.000 0.254 299 V C 1.454 177.649 176.094 0.170 0.000 1.120 299 V CA 0.552 62.920 62.300 0.113 0.000 1.114 299 V CB -1.134 30.751 31.823 0.104 0.000 0.756 299 V HN 0.213 nan 8.190 nan 0.000 0.467 300 G N 0.033 108.891 108.800 0.097 0.000 2.624 300 G HA2 0.277 4.240 3.960 0.005 0.000 0.217 300 G HA3 0.277 4.240 3.960 0.005 0.000 0.217 300 G C 0.853 175.842 174.900 0.149 0.000 1.506 300 G CA 0.118 45.304 45.100 0.144 0.000 1.072 300 G HN 0.275 nan 8.290 nan 0.000 0.568 301 I N -0.342 120.061 120.570 -0.278 0.000 2.716 301 I HA 0.006 4.179 4.170 0.005 0.000 0.259 301 I C 1.945 177.913 176.117 -0.248 0.000 1.172 301 I CA 0.918 61.831 61.300 -0.645 0.000 1.478 301 I CB -0.113 37.054 38.000 -1.389 0.000 1.104 301 I HN 0.371 nan 8.210 nan 0.000 0.439 302 D N 1.839 122.075 120.400 -0.273 0.000 2.154 302 D HA -0.227 4.416 4.640 0.005 0.000 0.190 302 D C -0.695 175.532 176.300 -0.123 0.000 1.003 302 D CA 1.888 55.720 54.000 -0.279 0.000 0.849 302 D CB -1.976 38.465 40.800 -0.598 0.000 0.942 302 D HN 0.328 nan 8.370 nan 0.000 0.446 303 P HA -0.098 nan 4.420 nan 0.000 0.216 303 P C 1.290 178.634 177.300 0.074 0.000 1.153 303 P CA 0.870 64.003 63.100 0.055 0.000 0.848 303 P CB -0.096 31.572 31.700 -0.053 0.000 0.787 304 F N 0.047 120.083 119.950 0.142 0.000 2.126 304 F HA -0.178 4.352 4.527 0.005 0.000 0.299 304 F C 2.752 178.606 175.800 0.091 0.000 1.096 304 F CA 1.460 59.584 58.000 0.206 0.000 1.255 304 F CB -0.451 38.683 39.000 0.224 0.000 0.997 304 F HN -0.203 nan 8.300 nan 0.000 0.479 305 R N 0.820 121.421 120.500 0.168 0.000 2.062 305 R HA -0.164 4.179 4.340 0.005 0.000 0.231 305 R C 2.323 178.667 176.300 0.073 0.000 1.136 305 R CA 1.450 57.593 56.100 0.072 0.000 0.948 305 R CB -0.898 29.392 30.300 -0.017 0.000 0.845 305 R HN 0.365 nan 8.270 nan 0.000 0.430 306 L N 1.081 122.348 121.223 0.073 0.000 2.051 306 L HA -0.214 4.129 4.340 0.005 0.000 0.214 306 L C 2.375 179.264 176.870 0.032 0.000 1.076 306 L CA 1.476 56.343 54.840 0.045 0.000 0.758 306 L CB -0.222 41.908 42.059 0.119 0.000 0.890 306 L HN 0.398 nan 8.230 nan 0.000 0.433 307 L N -1.009 120.244 121.223 0.049 0.000 2.376 307 L HA -0.169 4.174 4.340 0.005 0.000 0.219 307 L C 2.638 179.552 176.870 0.073 0.000 1.133 307 L CA 0.416 55.279 54.840 0.039 0.000 0.816 307 L CB -0.345 41.744 42.059 0.050 0.000 0.933 307 L HN 0.415 nan 8.230 nan 0.000 0.449 308 Q N 0.262 120.119 119.800 0.094 0.000 2.079 308 Q HA -0.107 4.236 4.340 0.005 0.000 0.200 308 Q C 0.531 176.556 176.000 0.042 0.000 0.974 308 Q CA 1.204 57.056 55.803 0.081 0.000 0.840 308 Q CB -0.282 28.506 28.738 0.083 0.000 0.898 308 Q HN 0.545 nan 8.270 nan 0.000 0.430 309 N N 0.854 119.573 118.700 0.032 0.000 3.044 309 N HA 0.181 4.924 4.740 0.005 0.000 0.254 309 N C -1.449 174.062 175.510 0.001 0.000 1.253 309 N CA -0.239 52.822 53.050 0.018 0.000 0.944 309 N CB 0.849 39.354 38.487 0.029 0.000 1.217 309 N HN 0.014 nan 8.380 nan 0.000 0.498 310 S N 0.361 116.048 115.700 -0.021 0.000 2.542 310 S HA 0.246 4.719 4.470 0.005 0.000 0.276 310 S C -1.182 173.360 174.600 -0.097 0.000 1.148 310 S CA -1.002 57.166 58.200 -0.053 0.000 0.886 310 S CB 1.966 65.125 63.200 -0.067 0.000 1.109 310 S HN 0.356 nan 8.310 nan 0.000 0.458 311 Q N 1.953 121.670 119.800 -0.139 0.000 2.454 311 Q HA 0.601 4.943 4.340 0.005 0.000 0.255 311 Q C -1.659 174.104 176.000 -0.395 0.000 1.034 311 Q CA -0.513 55.127 55.803 -0.271 0.000 0.736 311 Q CB 1.026 29.620 28.738 -0.240 0.000 1.210 311 Q HN 0.690 nan 8.270 nan 0.000 0.500 312 V N 4.429 124.113 119.914 -0.383 0.000 2.435 312 V HA 0.520 4.643 4.120 0.005 0.000 0.290 312 V C -0.326 175.512 176.094 -0.426 0.000 1.030 312 V CA -0.507 61.601 62.300 -0.321 0.000 0.881 312 V CB 0.780 32.498 31.823 -0.175 0.000 0.983 312 V HN 0.584 nan 8.190 nan 0.000 0.445 313 F N 1.903 121.857 119.950 0.006 0.000 2.450 313 F HA 0.748 5.278 4.527 0.005 0.000 0.328 313 F C 0.663 176.431 175.800 -0.053 0.000 1.068 313 F CA -0.294 57.702 58.000 -0.007 0.000 1.007 313 F CB 1.912 40.925 39.000 0.023 0.000 1.251 313 F HN 0.513 nan 8.300 nan 0.000 0.492 314 S N 0.953 116.722 115.700 0.115 0.000 2.541 314 S HA 0.613 5.086 4.470 0.005 0.000 0.271 314 S C -1.171 173.340 174.600 -0.148 0.000 1.133 314 S CA -0.802 57.376 58.200 -0.038 0.000 0.876 314 S CB 0.803 63.988 63.200 -0.025 0.000 1.105 314 S HN 0.563 nan 8.310 nan 0.000 0.470 315 L N 2.940 123.988 121.223 -0.292 0.000 2.452 315 L HA 0.455 4.797 4.340 0.005 0.000 0.267 315 L C -0.685 176.063 176.870 -0.203 0.000 1.188 315 L CA -0.351 54.264 54.840 -0.376 0.000 0.821 315 L CB 0.421 42.177 42.059 -0.504 0.000 1.102 315 L HN 0.566 nan 8.230 nan 0.000 0.470 316 I N 2.221 122.699 120.570 -0.155 0.000 2.439 316 I HA 0.301 4.474 4.170 0.005 0.000 0.285 316 I C 0.276 176.354 176.117 -0.065 0.000 1.021 316 I CA -0.195 61.057 61.300 -0.081 0.000 1.091 316 I CB 1.492 39.468 38.000 -0.040 0.000 1.242 316 I HN 0.474 nan 8.210 nan 0.000 0.439 317 R N 6.061 126.529 120.500 -0.054 0.000 2.873 317 R HA -0.007 4.336 4.340 0.005 0.000 0.267 317 R C -1.340 174.954 176.300 -0.011 0.000 1.009 317 R CA -0.635 55.445 56.100 -0.033 0.000 1.152 317 R CB -0.174 30.115 30.300 -0.020 0.000 1.047 317 R HN 0.346 nan 8.270 nan 0.000 0.470 318 P HA -0.289 nan 4.420 nan 0.000 0.214 318 P C -0.324 176.982 177.300 0.010 0.000 1.099 318 P CA 1.723 64.830 63.100 0.011 0.000 0.976 318 P CB 0.034 31.743 31.700 0.015 0.000 0.774 319 N N 0.006 118.713 118.700 0.012 0.000 3.112 319 N HA 0.157 4.900 4.740 0.005 0.000 0.270 319 N C -0.834 174.685 175.510 0.015 0.000 1.385 319 N CA -0.078 52.980 53.050 0.013 0.000 0.986 319 N CB 0.060 38.557 38.487 0.017 0.000 1.261 319 N HN 0.201 nan 8.380 nan 0.000 0.495 320 E N 0.640 120.844 120.200 0.007 0.000 2.275 320 E HA 0.092 4.445 4.350 0.005 0.000 0.270 320 E C -1.182 175.408 176.600 -0.016 0.000 0.882 320 E CA -0.686 55.720 56.400 0.011 0.000 0.758 320 E CB 2.039 31.747 29.700 0.013 0.000 1.195 320 E HN 0.347 nan 8.360 nan 0.000 0.419 321 N N 4.382 123.057 118.700 -0.042 0.000 2.416 321 N HA 0.062 4.805 4.740 0.005 0.000 0.265 321 N C -1.817 173.618 175.510 -0.124 0.000 1.195 321 N CA -1.473 51.478 53.050 -0.164 0.000 0.943 321 N CB 0.752 38.959 38.487 -0.466 0.000 1.115 321 N HN 0.127 nan 8.380 nan 0.000 0.481 322 P HA -0.028 nan 4.420 nan 0.000 0.230 322 P C 0.636 177.914 177.300 -0.036 0.000 1.158 322 P CA 0.463 63.542 63.100 -0.035 0.000 0.769 322 P CB 0.242 31.932 31.700 -0.017 0.000 0.807 323 A N -0.503 122.260 122.820 -0.096 0.000 1.872 323 A HA -0.204 4.118 4.320 0.005 0.000 0.214 323 A C 1.984 179.588 177.584 0.033 0.000 1.187 323 A CA 1.358 53.355 52.037 -0.066 0.000 0.614 323 A CB -1.525 17.402 19.000 -0.121 0.000 0.826 323 A HN 0.150 nan 8.150 nan 0.000 0.442 324 H N -0.048 119.020 119.070 -0.003 0.000 2.253 324 H HA -0.137 4.422 4.556 0.005 0.000 0.296 324 H C 1.977 177.315 175.328 0.015 0.000 1.074 324 H CA 1.864 57.916 56.048 0.008 0.000 1.263 324 H CB -0.679 29.090 29.762 0.011 0.000 1.363 324 H HN 0.473 nan 8.280 nan 0.000 0.489 325 K N 0.807 121.296 120.400 0.149 0.000 2.163 325 K HA -0.174 4.149 4.320 0.005 0.000 0.210 325 K C 2.252 178.896 176.600 0.073 0.000 1.048 325 K CA 1.864 58.198 56.287 0.077 0.000 0.928 325 K CB -0.215 32.307 32.500 0.038 0.000 0.716 325 K HN 0.151 nan 8.250 nan 0.000 0.459 326 S N -0.098 115.646 115.700 0.073 0.000 2.395 326 S HA -0.133 4.340 4.470 0.005 0.000 0.225 326 S C 1.810 176.482 174.600 0.121 0.000 1.027 326 S CA 0.980 59.227 58.200 0.079 0.000 0.965 326 S CB -0.262 62.963 63.200 0.042 0.000 0.812 326 S HN 0.513 nan 8.310 nan 0.000 0.482 327 Q N 1.002 120.857 119.800 0.091 0.000 2.014 327 Q HA -0.206 4.136 4.340 0.005 0.000 0.207 327 Q C 2.140 178.238 176.000 0.162 0.000 0.993 327 Q CA 1.522 57.375 55.803 0.082 0.000 0.850 327 Q CB -0.395 28.373 28.738 0.050 0.000 0.916 327 Q HN 0.353 nan 8.270 nan 0.000 0.417 328 L N 0.421 121.707 121.223 0.105 0.000 1.987 328 L HA -0.277 4.066 4.340 0.005 0.000 0.230 328 L C 2.402 179.322 176.870 0.083 0.000 1.089 328 L CA 2.104 56.985 54.840 0.068 0.000 0.802 328 L CB -1.192 40.897 42.059 0.050 0.000 0.905 328 L HN 0.260 nan 8.230 nan 0.000 0.441 329 V N -1.505 118.479 119.914 0.116 0.000 2.233 329 V HA -0.356 3.767 4.120 0.005 0.000 0.247 329 V C 2.134 178.340 176.094 0.186 0.000 1.050 329 V CA 2.226 64.614 62.300 0.147 0.000 1.010 329 V CB -1.135 30.776 31.823 0.147 0.000 0.637 329 V HN 0.806 nan 8.190 nan 0.000 0.444 330 W N 0.213 121.534 121.300 0.036 0.000 2.290 330 W HA -0.340 4.323 4.660 0.005 0.000 0.318 330 W C 2.451 179.021 176.519 0.085 0.000 1.248 330 W CA 2.658 60.041 57.345 0.064 0.000 1.263 330 W CB -0.273 29.212 29.460 0.041 0.000 1.147 330 W HN 0.179 nan 8.180 nan 0.000 0.494 331 M N -0.054 119.710 119.600 0.273 0.000 2.059 331 M HA -0.193 4.290 4.480 0.005 0.000 0.259 331 M C 2.456 178.684 176.300 -0.121 0.000 1.072 331 M CA 2.117 57.419 55.300 0.004 0.000 1.117 331 M CB -1.170 31.395 32.600 -0.059 0.000 1.320 331 M HN 0.130 nan 8.290 nan 0.000 0.408 332 A N -0.332 122.453 122.820 -0.059 0.000 1.997 332 A HA -0.218 4.105 4.320 0.005 0.000 0.221 332 A C 2.249 179.854 177.584 0.035 0.000 1.172 332 A CA 1.963 53.965 52.037 -0.058 0.000 0.645 332 A CB -1.345 17.602 19.000 -0.088 0.000 0.813 332 A HN 0.666 nan 8.150 nan 0.000 0.454 333 C N -2.257 117.042 119.300 -0.003 0.000 2.457 333 C HA 0.008 4.471 4.460 0.005 0.000 0.278 333 C C 1.806 176.551 174.990 -0.408 0.000 1.309 333 C CA 0.949 59.879 59.018 -0.147 0.000 1.735 333 C CB -1.408 26.117 27.740 -0.358 0.000 1.992 333 C HN 0.746 nan 8.230 nan 0.000 0.493 334 H N 0.620 119.461 119.070 -0.381 0.000 2.488 334 H HA 0.162 4.721 4.556 0.005 0.000 0.294 334 H C 1.095 176.312 175.328 -0.186 0.000 1.088 334 H CA 0.586 56.411 56.048 -0.371 0.000 1.086 334 H CB -0.166 29.200 29.762 -0.661 0.000 1.569 334 H HN 0.454 nan 8.280 nan 0.000 0.548 335 S N 0.030 115.711 115.700 -0.032 0.000 3.317 335 S HA -0.299 4.174 4.470 0.005 0.000 0.358 335 S C 0.989 175.588 174.600 -0.002 0.000 0.945 335 S CA 0.323 58.541 58.200 0.029 0.000 1.279 335 S CB -1.481 61.818 63.200 0.166 0.000 0.905 335 S HN 0.586 nan 8.310 nan 0.000 0.507 336 A N 0.396 123.152 122.820 -0.108 0.000 2.465 336 A HA 0.776 5.099 4.320 0.005 0.000 0.255 336 A C 2.043 179.501 177.584 -0.210 0.000 1.274 336 A CA 0.754 52.720 52.037 -0.119 0.000 0.920 336 A CB -0.558 18.384 19.000 -0.095 0.000 1.033 336 A HN 1.679 nan 8.150 nan 0.000 0.516 337 A N -0.175 122.438 122.820 -0.345 0.000 1.933 337 A HA 0.005 4.328 4.320 0.005 0.000 0.218 337 A C 1.408 178.736 177.584 -0.426 0.000 1.175 337 A CA 1.342 53.041 52.037 -0.563 0.000 0.628 337 A CB -0.633 17.942 19.000 -0.709 0.000 0.814 337 A HN 0.559 nan 8.150 nan 0.000 0.444 338 F N -0.106 119.954 119.950 0.183 0.000 2.664 338 F HA 0.232 4.762 4.527 0.005 0.000 0.303 338 F C 0.909 176.812 175.800 0.172 0.000 1.092 338 F CA -0.501 57.636 58.000 0.229 0.000 1.305 338 F CB 0.252 39.390 39.000 0.230 0.000 1.054 338 F HN 0.007 nan 8.300 nan 0.000 0.565 339 E N 1.444 121.749 120.200 0.175 0.000 2.408 339 E HA -0.058 4.295 4.350 0.005 0.000 0.259 339 E C -0.248 176.447 176.600 0.158 0.000 1.110 339 E CA 0.038 56.514 56.400 0.127 0.000 0.929 339 E CB 0.434 30.163 29.700 0.049 0.000 0.971 339 E HN 0.033 nan 8.360 nan 0.000 0.438 340 D N 1.691 122.170 120.400 0.133 0.000 2.525 340 D HA -0.094 4.549 4.640 0.005 0.000 0.235 340 D C 1.264 177.628 176.300 0.106 0.000 1.137 340 D CA 0.316 54.379 54.000 0.105 0.000 0.868 340 D CB 0.686 41.505 40.800 0.031 0.000 1.180 340 D HN 0.356 nan 8.370 nan 0.000 0.465 341 L N 4.153 125.437 121.223 0.102 0.000 2.017 341 L HA -0.174 4.169 4.340 0.005 0.000 0.208 341 L C 2.661 179.604 176.870 0.123 0.000 1.073 341 L CA 0.999 55.901 54.840 0.103 0.000 0.745 341 L CB -0.194 41.925 42.059 0.100 0.000 0.894 341 L HN 0.429 nan 8.230 nan 0.000 0.432 342 R N -0.773 119.804 120.500 0.129 0.000 2.113 342 R HA -0.216 4.127 4.340 0.005 0.000 0.244 342 R C 2.214 178.741 176.300 0.377 0.000 1.142 342 R CA 1.700 57.952 56.100 0.252 0.000 0.953 342 R CB -0.940 29.508 30.300 0.247 0.000 0.860 342 R HN 0.213 nan 8.270 nan 0.000 0.438 343 V N 0.673 120.763 119.914 0.294 0.000 2.515 343 V HA -0.200 3.923 4.120 0.005 0.000 0.250 343 V C 1.809 178.068 176.094 0.275 0.000 1.058 343 V CA 1.954 64.436 62.300 0.304 0.000 1.064 343 V CB 0.030 31.949 31.823 0.160 0.000 0.675 343 V HN 0.331 nan 8.190 nan 0.000 0.461 344 S N -0.324 115.512 115.700 0.227 0.000 2.362 344 S HA -0.129 4.343 4.470 0.005 0.000 0.221 344 S C 2.072 176.767 174.600 0.158 0.000 1.032 344 S CA 1.405 59.755 58.200 0.251 0.000 0.973 344 S CB -0.299 63.033 63.200 0.221 0.000 0.849 344 S HN 0.618 nan 8.310 nan 0.000 0.465 345 S N 1.418 117.188 115.700 0.116 0.000 2.402 345 S HA -0.112 4.360 4.470 0.005 0.000 0.233 345 S C 1.445 176.088 174.600 0.072 0.000 1.030 345 S CA 1.296 59.525 58.200 0.047 0.000 1.003 345 S CB -0.398 62.848 63.200 0.075 0.000 0.813 345 S HN 0.544 nan 8.310 nan 0.000 0.477 346 F N 1.722 121.683 119.950 0.018 0.000 2.094 346 F HA 0.056 4.586 4.527 0.005 0.000 0.291 346 F C 1.871 177.730 175.800 0.097 0.000 1.109 346 F CA 1.012 59.011 58.000 -0.001 0.000 1.221 346 F CB -0.381 38.563 39.000 -0.092 0.000 1.014 346 F HN 0.060 nan 8.300 nan 0.000 0.473 347 I N 0.268 121.003 120.570 0.275 0.000 2.264 347 I HA -0.296 3.877 4.170 0.005 0.000 0.248 347 I C 2.550 178.748 176.117 0.136 0.000 1.111 347 I CA 1.199 62.653 61.300 0.258 0.000 1.382 347 I CB -0.496 37.714 38.000 0.350 0.000 1.060 347 I HN 0.099 nan 8.210 nan 0.000 0.418 348 R N 0.691 121.179 120.500 -0.020 0.000 2.189 348 R HA -0.067 4.276 4.340 0.005 0.000 0.218 348 R C 1.666 177.821 176.300 -0.240 0.000 1.074 348 R CA 1.073 56.992 56.100 -0.303 0.000 0.991 348 R CB -0.168 29.708 30.300 -0.707 0.000 0.883 348 R HN 0.552 nan 8.270 nan 0.000 0.457 349 G N 0.048 108.730 108.800 -0.197 0.000 2.253 349 G HA2 -0.294 3.669 3.960 0.005 0.000 0.251 349 G HA3 -0.294 3.669 3.960 0.005 0.000 0.251 349 G C 0.297 175.094 174.900 -0.171 0.000 0.998 349 G CA 0.852 45.824 45.100 -0.212 0.000 0.621 349 G HN 0.577 nan 8.290 nan 0.000 0.524 350 T N -2.083 112.366 114.554 -0.176 0.000 2.896 350 T HA 0.698 5.051 4.350 0.005 0.000 0.297 350 T C 0.038 174.666 174.700 -0.121 0.000 1.108 350 T CA -0.574 61.443 62.100 -0.138 0.000 1.004 350 T CB 1.812 70.589 68.868 -0.151 0.000 1.159 350 T HN 0.532 nan 8.240 nan 0.000 0.499 351 R N 0.885 121.343 120.500 -0.069 0.000 2.583 351 R HA 0.374 4.717 4.340 0.005 0.000 0.274 351 R C -0.502 175.764 176.300 -0.057 0.000 0.998 351 R CA -0.334 55.743 56.100 -0.038 0.000 1.081 351 R CB 0.117 30.411 30.300 -0.009 0.000 0.940 351 R HN 0.475 nan 8.270 nan 0.000 0.413 352 V N 5.660 125.554 119.914 -0.035 0.000 2.334 352 V HA 0.252 4.374 4.120 0.005 0.000 0.281 352 V C 0.442 176.558 176.094 0.038 0.000 1.016 352 V CA -0.751 61.534 62.300 -0.026 0.000 0.832 352 V CB 1.104 32.904 31.823 -0.038 0.000 0.999 352 V HN 0.585 nan 8.190 nan 0.000 0.439 353 I N 3.676 124.272 120.570 0.044 0.000 2.437 353 I HA 0.678 4.851 4.170 0.005 0.000 0.298 353 I C -2.663 173.506 176.117 0.087 0.000 0.984 353 I CA -2.789 58.534 61.300 0.038 0.000 1.214 353 I CB 1.554 39.538 38.000 -0.027 0.000 1.365 353 I HN 0.310 nan 8.210 nan 0.000 0.469 354 P HA -0.009 nan 4.420 nan 0.000 0.266 354 P C 0.479 177.597 177.300 -0.304 0.000 1.180 354 P CA 0.268 63.316 63.100 -0.086 0.000 0.765 354 P CB 0.451 32.101 31.700 -0.084 0.000 0.806 355 R N 3.739 123.696 120.500 -0.906 0.000 2.096 355 R HA -0.138 4.205 4.340 0.005 0.000 0.240 355 R C 2.178 178.255 176.300 -0.371 0.000 1.139 355 R CA 2.437 57.984 56.100 -0.922 0.000 0.952 355 R CB -1.597 27.790 30.300 -1.522 0.000 0.854 355 R HN 0.663 nan 8.270 nan 0.000 0.436 356 G N -0.814 107.825 108.800 -0.268 0.000 2.653 356 G HA2 -0.210 3.753 3.960 0.005 0.000 0.212 356 G HA3 -0.210 3.753 3.960 0.005 0.000 0.212 356 G C 0.905 175.746 174.900 -0.099 0.000 1.138 356 G CA 0.500 45.528 45.100 -0.120 0.000 0.782 356 G HN 0.488 nan 8.290 nan 0.000 0.535 357 Q N -1.162 118.554 119.800 -0.140 0.000 2.189 357 Q HA 0.258 4.601 4.340 0.005 0.000 0.223 357 Q C -0.220 175.655 176.000 -0.208 0.000 0.828 357 Q CA -0.601 55.127 55.803 -0.126 0.000 0.967 357 Q CB 0.687 29.360 28.738 -0.109 0.000 1.139 357 Q HN 0.219 nan 8.270 nan 0.000 0.497 358 L N 0.402 121.486 121.223 -0.231 0.000 2.436 358 L HA 0.156 4.499 4.340 0.005 0.000 0.265 358 L C 0.390 177.233 176.870 -0.045 0.000 1.168 358 L CA 0.519 55.182 54.840 -0.295 0.000 0.815 358 L CB 1.410 43.375 42.059 -0.157 0.000 1.109 358 L HN -0.160 nan 8.230 nan 0.000 0.462 359 S N 0.969 116.770 115.700 0.169 0.000 2.457 359 S HA 0.537 5.010 4.470 0.005 0.000 0.216 359 S C -0.158 174.516 174.600 0.122 0.000 1.392 359 S CA -0.323 57.977 58.200 0.165 0.000 1.102 359 S CB 0.093 63.414 63.200 0.203 0.000 1.114 359 S HN 0.718 nan 8.310 nan 0.000 0.484 360 T N 0.994 115.591 114.554 0.072 0.000 3.033 360 T HA 0.264 4.616 4.350 0.005 0.000 0.362 360 T C -0.170 174.551 174.700 0.034 0.000 1.723 360 T CA -0.723 61.406 62.100 0.048 0.000 1.110 360 T CB 0.913 69.809 68.868 0.047 0.000 1.515 360 T HN 0.509 nan 8.240 nan 0.000 0.484 361 R N 2.066 122.586 120.500 0.033 0.000 2.393 361 R HA 0.644 4.987 4.340 0.005 0.000 0.244 361 R C 0.924 177.248 176.300 0.039 0.000 0.920 361 R CA 0.589 56.728 56.100 0.065 0.000 1.076 361 R CB -0.047 30.305 30.300 0.087 0.000 1.119 361 R HN 1.163 nan 8.270 nan 0.000 0.524 362 G N -0.413 108.356 108.800 -0.051 0.000 2.316 362 G HA2 -0.126 3.837 3.960 0.005 0.000 0.349 362 G HA3 -0.126 3.837 3.960 0.005 0.000 0.349 362 G C -0.246 174.599 174.900 -0.091 0.000 1.274 362 G CA -0.420 44.584 45.100 -0.159 0.000 1.018 362 G HN -0.095 nan 8.290 nan 0.000 0.486 363 V N 1.019 120.871 119.914 -0.103 0.000 2.870 363 V HA 0.215 4.338 4.120 0.005 0.000 0.232 363 V C 1.587 177.641 176.094 -0.067 0.000 1.161 363 V CA 1.738 63.991 62.300 -0.078 0.000 1.204 363 V CB -0.503 31.276 31.823 -0.073 0.000 1.003 363 V HN 0.939 nan 8.190 nan 0.000 0.499 364 Q N 0.815 120.590 119.800 -0.042 0.000 2.469 364 Q HA 0.133 4.476 4.340 0.005 0.000 0.279 364 Q C -0.959 175.043 176.000 0.003 0.000 1.097 364 Q CA 0.521 56.322 55.803 -0.003 0.000 0.951 364 Q CB 0.806 29.561 28.738 0.027 0.000 1.297 364 Q HN 0.359 nan 8.270 nan 0.000 0.465 365 I N 0.492 121.077 120.570 0.026 0.000 2.530 365 I HA 0.377 4.550 4.170 0.005 0.000 0.297 365 I C -0.255 175.911 176.117 0.082 0.000 1.011 365 I CA -0.474 60.840 61.300 0.023 0.000 1.107 365 I CB 1.817 39.787 38.000 -0.051 0.000 1.285 365 I HN 0.848 nan 8.210 nan 0.000 0.436 366 A N 3.528 126.387 122.820 0.065 0.000 2.425 366 A HA 0.313 4.636 4.320 0.005 0.000 0.242 366 A C 1.298 178.930 177.584 0.079 0.000 1.077 366 A CA 0.453 52.528 52.037 0.064 0.000 0.781 366 A CB 0.030 19.058 19.000 0.046 0.000 1.020 366 A HN 0.910 nan 8.150 nan 0.000 0.494 367 S N 1.584 117.325 115.700 0.069 0.000 2.383 367 S HA -0.244 4.229 4.470 0.005 0.000 0.229 367 S C 1.425 176.063 174.600 0.063 0.000 1.030 367 S CA 1.854 60.095 58.200 0.069 0.000 1.002 367 S CB -0.700 62.529 63.200 0.049 0.000 0.829 367 S HN 0.830 nan 8.310 nan 0.000 0.467 368 N N 1.197 119.927 118.700 0.050 0.000 2.309 368 N HA 0.004 4.747 4.740 0.005 0.000 0.182 368 N C 0.300 175.839 175.510 0.049 0.000 1.018 368 N CA 0.333 53.408 53.050 0.043 0.000 0.876 368 N CB 0.002 38.508 38.487 0.032 0.000 0.972 368 N HN 0.536 nan 8.380 nan 0.000 0.434 369 E N 1.179 121.413 120.200 0.056 0.000 2.414 369 E HA -0.043 4.310 4.350 0.005 0.000 0.263 369 E C -0.446 176.189 176.600 0.059 0.000 1.000 369 E CA -0.127 56.303 56.400 0.050 0.000 0.914 369 E CB 0.387 30.112 29.700 0.041 0.000 0.948 369 E HN 0.157 nan 8.360 nan 0.000 0.444 370 N N 3.700 122.429 118.700 0.048 0.000 2.399 370 N HA 0.002 4.745 4.740 0.005 0.000 0.259 370 N C -1.382 174.165 175.510 0.061 0.000 1.160 370 N CA -0.006 53.077 53.050 0.055 0.000 0.946 370 N CB 0.878 39.392 38.487 0.045 0.000 1.156 370 N HN 0.197 nan 8.380 nan 0.000 0.489 371 V N 4.402 124.369 119.914 0.088 0.000 2.350 371 V HA 0.377 4.500 4.120 0.005 0.000 0.276 371 V C 0.394 176.569 176.094 0.134 0.000 1.028 371 V CA 0.140 62.505 62.300 0.108 0.000 0.860 371 V CB 0.843 32.760 31.823 0.156 0.000 0.990 371 V HN 0.918 nan 8.190 nan 0.000 0.453 372 E N 4.564 124.845 120.200 0.134 0.000 1.088 372 E HA -0.054 4.299 4.350 0.005 0.000 0.204 372 E C 1.142 177.808 176.600 0.110 0.000 0.982 372 E CA 0.809 57.288 56.400 0.132 0.000 0.845 372 E CB -0.691 29.062 29.700 0.090 0.000 4.909 372 E HN 0.791 nan 8.360 nan 0.000 0.575 373 A N 1.621 124.492 122.820 0.084 0.000 2.119 373 A HA 0.226 4.549 4.320 0.005 0.000 0.216 373 A C 1.349 178.974 177.584 0.069 0.000 1.152 373 A CA 0.410 52.486 52.037 0.064 0.000 0.708 373 A CB -0.285 18.741 19.000 0.044 0.000 0.805 373 A HN 0.156 nan 8.150 nan 0.000 0.460 374 M N 1.450 121.098 119.600 0.081 0.000 2.146 374 M HA 0.252 4.735 4.480 0.005 0.000 0.357 374 M C -1.024 175.356 176.300 0.133 0.000 1.261 374 M CA -0.207 55.117 55.300 0.041 0.000 1.106 374 M CB 0.473 33.040 32.600 -0.055 0.000 1.612 374 M HN 0.106 nan 8.290 nan 0.000 0.470 375 D N 1.490 121.948 120.400 0.098 0.000 2.511 375 D HA 0.582 5.225 4.640 0.005 0.000 0.276 375 D C -0.253 176.073 176.300 0.043 0.000 1.220 375 D CA -0.120 53.989 54.000 0.182 0.000 1.077 375 D CB 1.073 41.952 40.800 0.132 0.000 1.126 375 D HN 0.633 nan 8.370 nan 0.000 0.583 376 S N -1.358 114.418 115.700 0.128 0.000 2.546 376 S HA 0.615 5.088 4.470 0.005 0.000 0.272 376 S C -0.885 173.786 174.600 0.119 0.000 1.140 376 S CA -0.849 57.346 58.200 -0.008 0.000 0.920 376 S CB 1.544 64.609 63.200 -0.224 0.000 1.083 376 S HN 0.307 nan 8.310 nan 0.000 0.476 377 S N 1.625 117.402 115.700 0.128 0.000 2.689 377 S HA 0.788 5.261 4.470 0.005 0.000 0.306 377 S C -0.410 174.382 174.600 0.319 0.000 1.104 377 S CA -0.489 57.831 58.200 0.200 0.000 0.973 377 S CB 1.493 64.751 63.200 0.097 0.000 1.121 377 S HN 0.888 nan 8.310 nan 0.000 0.523 378 T N 3.125 117.827 114.554 0.246 0.000 2.817 378 T HA 0.429 4.782 4.350 0.005 0.000 0.293 378 T C -0.318 174.368 174.700 -0.023 0.000 0.964 378 T CA -0.330 61.772 62.100 0.004 0.000 1.085 378 T CB 0.156 68.984 68.868 -0.067 0.000 0.921 378 T HN 0.489 nan 8.240 nan 0.000 0.502 379 L N 2.798 123.981 121.223 -0.067 0.000 2.305 379 L HA 0.359 4.702 4.340 0.005 0.000 0.281 379 L C 0.816 177.675 176.870 -0.019 0.000 1.085 379 L CA -0.896 53.931 54.840 -0.022 0.000 0.813 379 L CB 0.522 42.577 42.059 -0.007 0.000 1.157 379 L HN 0.426 nan 8.230 nan 0.000 0.436 380 E N 4.219 124.418 120.200 -0.002 0.000 2.220 380 E HA 0.168 4.521 4.350 0.005 0.000 0.272 380 E C -0.097 176.533 176.600 0.049 0.000 1.099 380 E CA 0.331 56.730 56.400 -0.001 0.000 0.907 380 E CB 0.816 30.498 29.700 -0.030 0.000 1.022 380 E HN 0.479 nan 8.360 nan 0.000 0.428 381 L N 3.921 125.198 121.223 0.090 0.000 3.288 381 L HA 0.300 4.643 4.340 0.005 0.000 0.293 381 L C 0.741 177.795 176.870 0.307 0.000 1.294 381 L CA -0.101 54.888 54.840 0.249 0.000 1.006 381 L CB 0.430 42.587 42.059 0.164 0.000 1.407 381 L HN 0.095 nan 8.230 nan 0.000 0.592 382 R N -0.398 120.210 120.500 0.178 0.000 2.810 382 R HA 0.779 5.122 4.340 0.005 0.000 0.245 382 R C -0.538 175.863 176.300 0.170 0.000 1.168 382 R CA -0.487 55.723 56.100 0.184 0.000 1.096 382 R CB 1.993 32.341 30.300 0.079 0.000 1.259 382 R HN -0.002 nan 8.270 nan 0.000 0.518 383 S N -0.674 115.132 115.700 0.177 0.000 2.543 383 S HA 0.260 4.733 4.470 0.005 0.000 0.274 383 S C -0.005 174.600 174.600 0.009 0.000 1.149 383 S CA -0.940 57.339 58.200 0.132 0.000 0.866 383 S CB 2.079 65.550 63.200 0.451 0.000 1.111 383 S HN 0.609 nan 8.310 nan 0.000 0.457 384 R N -0.238 120.175 120.500 -0.144 0.000 2.237 384 R HA 0.102 4.445 4.340 0.005 0.000 0.219 384 R C -0.714 175.200 176.300 -0.644 0.000 1.080 384 R CA 1.247 57.100 56.100 -0.411 0.000 0.995 384 R CB 0.084 30.055 30.300 -0.549 0.000 0.875 384 R HN 0.679 nan 8.270 nan 0.000 0.462 385 Y N -1.459 118.811 120.300 -0.049 0.000 2.625 385 Y HA 0.279 4.831 4.550 0.005 0.000 0.338 385 Y C -0.691 175.141 175.900 -0.114 0.000 1.123 385 Y CA -1.394 56.673 58.100 -0.054 0.000 1.046 385 Y CB 1.367 39.745 38.460 -0.137 0.000 1.299 385 Y HN -0.008 nan 8.280 nan 0.000 0.464 386 W N 1.098 122.275 121.300 -0.205 0.000 2.781 386 W HA 0.939 5.602 4.660 0.004 0.000 0.345 386 W C -1.942 174.353 176.519 -0.373 0.000 1.085 386 W CA -1.541 55.255 57.345 -0.915 0.000 1.198 386 W CB 1.379 30.371 29.460 -0.780 0.000 1.423 386 W HN 0.742 nan 8.180 nan 0.000 0.532 387 A N 4.505 126.989 122.820 -0.560 0.000 2.486 387 A HA 0.608 4.931 4.320 0.005 0.000 0.300 387 A C -0.665 176.885 177.584 -0.056 0.000 1.048 387 A CA -0.981 50.850 52.037 -0.343 0.000 0.696 387 A CB 1.344 20.235 19.000 -0.182 0.000 1.278 387 A HN 0.559 nan 8.150 nan 0.000 0.405 388 I N 1.610 122.118 120.570 -0.104 0.000 2.587 388 I HA 0.096 4.269 4.170 0.005 0.000 0.284 388 I C 0.453 176.606 176.117 0.061 0.000 1.134 388 I CA 0.019 61.352 61.300 0.054 0.000 1.410 388 I CB -0.236 37.771 38.000 0.012 0.000 1.392 388 I HN 0.602 nan 8.210 nan 0.000 0.545 389 R N 4.398 124.987 120.500 0.148 0.000 2.389 389 R HA 0.265 4.607 4.340 0.005 0.000 0.295 389 R C 0.387 176.748 176.300 0.101 0.000 1.075 389 R CA -0.089 56.082 56.100 0.118 0.000 1.005 389 R CB 0.642 31.052 30.300 0.184 0.000 0.987 389 R HN 0.783 nan 8.270 nan 0.000 0.452 390 T N -1.293 113.308 114.554 0.078 0.000 2.952 390 T HA 0.350 4.703 4.350 0.005 0.000 0.286 390 T C 0.782 175.626 174.700 0.241 0.000 1.024 390 T CA -0.982 61.192 62.100 0.124 0.000 1.029 390 T CB 1.845 70.762 68.868 0.080 0.000 1.094 390 T HN 0.651 nan 8.240 nan 0.000 0.515 391 R N 0.529 121.143 120.500 0.190 0.000 2.290 391 R HA 0.243 4.586 4.340 0.005 0.000 0.197 391 R C 1.062 177.473 176.300 0.186 0.000 0.913 391 R CA -0.061 56.138 56.100 0.164 0.000 1.040 391 R CB -0.091 30.268 30.300 0.099 0.000 0.992 391 R HN 0.640 nan 8.270 nan 0.000 0.500 392 S N -1.278 114.564 115.700 0.238 0.000 2.569 392 S HA 0.146 4.619 4.470 0.005 0.000 0.274 392 S C 0.998 175.763 174.600 0.274 0.000 1.353 392 S CA 0.291 58.651 58.200 0.266 0.000 1.023 392 S CB 1.242 64.700 63.200 0.431 0.000 0.876 392 S HN 0.458 nan 8.310 nan 0.000 0.540 393 G N 0.836 109.734 108.800 0.164 0.000 2.848 393 G HA2 0.539 4.502 3.960 0.005 0.000 0.213 393 G HA3 0.539 4.502 3.960 0.005 0.000 0.213 393 G C 0.674 175.598 174.900 0.039 0.000 1.101 393 G CA 0.394 45.568 45.100 0.123 0.000 0.778 393 G HN 1.497 nan 8.290 nan 0.000 0.536 394 G N -0.119 108.610 108.800 -0.119 0.000 2.479 394 G HA2 -0.076 3.886 3.960 0.005 0.000 0.686 394 G HA3 -0.076 3.886 3.960 0.005 0.000 0.686 394 G C -0.992 173.769 174.900 -0.232 0.000 1.295 394 G CA -0.755 44.127 45.100 -0.362 0.000 0.922 394 G HN 0.326 nan 8.290 nan 0.000 0.582 395 N N -0.510 118.044 118.700 -0.243 0.000 2.399 395 N HA 0.571 5.314 4.740 0.005 0.000 0.250 395 N C 0.056 175.517 175.510 -0.081 0.000 1.272 395 N CA 0.459 53.420 53.050 -0.147 0.000 0.928 395 N CB 0.913 39.315 38.487 -0.141 0.000 1.158 395 N HN 0.583 nan 8.380 nan 0.000 0.463 396 T N 0.470 114.992 114.554 -0.053 0.000 2.991 396 T HA 0.160 4.513 4.350 0.005 0.000 0.347 396 T C 0.987 175.671 174.700 -0.026 0.000 1.122 396 T CA -0.651 61.432 62.100 -0.028 0.000 1.062 396 T CB -0.360 68.502 68.868 -0.010 0.000 1.043 396 T HN 0.589 nan 8.240 nan 0.000 0.491 397 N N 2.779 121.463 118.700 -0.027 0.000 2.635 397 N HA -0.142 4.601 4.740 0.005 0.000 0.191 397 N C 0.836 176.336 175.510 -0.017 0.000 1.155 397 N CA 0.058 53.094 53.050 -0.024 0.000 0.927 397 N CB -0.315 38.158 38.487 -0.023 0.000 0.976 397 N HN 0.626 nan 8.380 nan 0.000 0.448 398 Q N -0.779 119.012 119.800 -0.014 0.000 2.342 398 Q HA -0.143 4.200 4.340 0.005 0.000 0.330 398 Q C 0.565 176.558 176.000 -0.011 0.000 1.117 398 Q CA 0.566 56.362 55.803 -0.011 0.000 1.010 398 Q CB 0.763 29.495 28.738 -0.009 0.000 1.204 398 Q HN 0.423 nan 8.270 nan 0.000 0.400 399 Q N 2.001 121.795 119.800 -0.010 0.000 2.361 399 Q HA 0.143 4.486 4.340 0.005 0.000 0.182 399 Q C 0.133 176.126 176.000 -0.010 0.000 0.650 399 Q CA 1.021 56.818 55.803 -0.010 0.000 0.842 399 Q CB 0.383 29.116 28.738 -0.009 0.000 1.211 399 Q HN 0.800 nan 8.270 nan 0.000 0.502 400 R N -1.041 119.452 120.500 -0.011 0.000 3.728 400 R HA -0.111 4.232 4.340 0.005 0.000 0.478 400 R C -0.400 175.892 176.300 -0.012 0.000 0.932 400 R CA 1.315 57.407 56.100 -0.013 0.000 1.317 400 R CB -2.588 27.703 30.300 -0.013 0.000 1.987 400 R HN 0.445 nan 8.270 nan 0.000 0.509 401 A N 0.409 123.223 122.820 -0.010 0.000 2.307 401 A HA 0.488 4.811 4.320 0.005 0.000 0.271 401 A C 0.653 178.232 177.584 -0.008 0.000 1.188 401 A CA 0.951 52.983 52.037 -0.008 0.000 0.810 401 A CB -0.005 18.991 19.000 -0.006 0.000 1.123 401 A HN 1.699 nan 8.150 nan 0.000 0.509 402 S N -2.791 112.905 115.700 -0.006 0.000 3.516 402 S HA 0.031 4.504 4.470 0.005 0.000 0.562 402 S C 0.363 174.958 174.600 -0.008 0.000 0.655 402 S CA 0.845 59.042 58.200 -0.005 0.000 1.400 402 S CB -1.305 61.892 63.200 -0.005 0.000 0.946 402 S HN 2.349 nan 8.310 nan 0.000 0.871 403 A N 4.116 126.932 122.820 -0.007 0.000 2.431 403 A HA 0.631 4.954 4.320 0.005 0.000 0.239 403 A C 1.149 178.729 177.584 -0.005 0.000 1.230 403 A CA 0.667 52.699 52.037 -0.009 0.000 0.928 403 A CB 0.135 19.130 19.000 -0.008 0.000 1.006 403 A HN 1.521 nan 8.150 nan 0.000 0.520 404 G N -0.552 108.246 108.800 -0.002 0.000 2.539 404 G HA2 0.382 4.344 3.960 0.005 0.000 0.258 404 G HA3 0.382 4.344 3.960 0.005 0.000 0.258 404 G C 0.009 174.911 174.900 0.005 0.000 1.202 404 G CA -0.309 44.793 45.100 0.002 0.000 0.851 404 G HN 0.428 nan 8.290 nan 0.000 0.556 405 Q N -0.509 119.296 119.800 0.008 0.000 2.386 405 Q HA 0.087 4.430 4.340 0.005 0.000 0.282 405 Q C 0.143 176.157 176.000 0.023 0.000 1.050 405 Q CA 0.202 56.013 55.803 0.014 0.000 0.918 405 Q CB 0.507 29.254 28.738 0.016 0.000 1.266 405 Q HN 0.437 nan 8.270 nan 0.000 0.423 406 I N 1.012 121.601 120.570 0.032 0.000 4.730 406 I HA 0.110 4.282 4.170 0.005 0.000 0.332 406 I C -0.047 176.123 176.117 0.088 0.000 1.299 406 I CA 0.281 61.611 61.300 0.050 0.000 1.294 406 I CB 1.325 39.347 38.000 0.036 0.000 1.317 406 I HN 0.482 nan 8.210 nan 0.000 0.457 407 S N -1.539 114.209 115.700 0.080 0.000 2.794 407 S HA 0.769 5.242 4.470 0.005 0.000 0.299 407 S C -1.398 173.251 174.600 0.082 0.000 1.179 407 S CA -0.482 57.788 58.200 0.116 0.000 0.838 407 S CB 1.315 64.579 63.200 0.108 0.000 1.206 407 S HN -0.226 nan 8.310 nan 0.000 0.523 408 V N 1.894 121.864 119.914 0.093 0.000 2.769 408 V HA 0.681 4.804 4.120 0.005 0.000 0.312 408 V C -0.988 175.139 176.094 0.054 0.000 1.061 408 V CA -0.494 61.846 62.300 0.067 0.000 0.931 408 V CB 1.851 33.718 31.823 0.072 0.000 1.010 408 V HN 0.870 nan 8.190 nan 0.000 0.433 409 Q N 5.497 125.316 119.800 0.032 0.000 2.309 409 Q HA 0.533 4.876 4.340 0.005 0.000 0.270 409 Q C -2.567 173.435 176.000 0.004 0.000 1.023 409 Q CA -1.481 54.332 55.803 0.016 0.000 0.758 409 Q CB 1.951 30.689 28.738 -0.001 0.000 1.247 409 Q HN 0.558 nan 8.270 nan 0.000 0.455 410 P HA 0.090 nan 4.420 nan 0.000 0.267 410 P C -0.539 176.727 177.300 -0.057 0.000 1.200 410 P CA -0.063 63.044 63.100 0.011 0.000 0.772 410 P CB 1.415 33.132 31.700 0.027 0.000 0.855 411 T N 0.203 114.682 114.554 -0.124 0.000 2.989 411 T HA 0.215 4.567 4.350 0.005 0.000 0.250 411 T C 0.300 174.713 174.700 -0.478 0.000 0.981 411 T CA 0.425 62.303 62.100 -0.369 0.000 0.980 411 T CB -0.032 68.460 68.868 -0.626 0.000 1.133 411 T HN 0.260 nan 8.240 nan 0.000 0.489 412 F N 1.021 120.975 119.950 0.008 0.000 2.557 412 F HA 0.615 5.145 4.527 0.005 0.000 0.336 412 F C 0.769 176.574 175.800 0.008 0.000 1.058 412 F CA -1.337 56.667 58.000 0.007 0.000 0.988 412 F CB 1.150 40.154 39.000 0.006 0.000 1.275 412 F HN -0.209 nan 8.300 nan 0.000 0.488 413 S N 1.622 117.454 115.700 0.221 0.000 3.363 413 S HA 0.585 5.058 4.470 0.005 0.000 0.267 413 S C -1.035 173.626 174.600 0.101 0.000 1.288 413 S CA -0.280 57.992 58.200 0.121 0.000 0.948 413 S CB -0.792 62.458 63.200 0.083 0.000 1.397 413 S HN 0.409 nan 8.310 nan 0.000 0.493 414 V N 4.563 124.536 119.914 0.098 0.000 2.789 414 V HA 0.426 4.548 4.120 0.005 0.000 0.311 414 V C -0.122 176.000 176.094 0.046 0.000 1.073 414 V CA -0.977 61.358 62.300 0.057 0.000 0.921 414 V CB 2.068 33.918 31.823 0.045 0.000 1.009 414 V HN 0.714 nan 8.190 nan 0.000 0.426 415 Q N 4.346 124.163 119.800 0.029 0.000 2.307 415 Q HA 0.526 4.869 4.340 0.005 0.000 0.261 415 Q C -0.620 175.393 176.000 0.022 0.000 1.051 415 Q CA -0.259 55.559 55.803 0.025 0.000 0.911 415 Q CB 0.414 29.162 28.738 0.017 0.000 1.227 415 Q HN 0.780 nan 8.270 nan 0.000 0.418 416 R N 1.383 121.899 120.500 0.027 0.000 2.741 416 R HA 0.305 4.648 4.340 0.005 0.000 0.274 416 R C -1.295 175.021 176.300 0.027 0.000 1.029 416 R CA -0.817 55.296 56.100 0.023 0.000 0.880 416 R CB -0.334 29.982 30.300 0.025 0.000 1.264 416 R HN 0.722 nan 8.270 nan 0.000 0.465 417 N N -0.028 118.683 118.700 0.019 0.000 2.381 417 N HA 0.455 5.197 4.740 0.005 0.000 0.254 417 N C -0.716 174.814 175.510 0.033 0.000 1.264 417 N CA -0.781 52.281 53.050 0.020 0.000 0.942 417 N CB 0.794 39.277 38.487 -0.008 0.000 1.190 417 N HN 0.504 nan 8.380 nan 0.000 0.495 418 L N -0.010 121.246 121.223 0.054 0.000 2.401 418 L HA 0.456 4.799 4.340 0.005 0.000 0.263 418 L C -2.202 174.721 176.870 0.088 0.000 1.004 418 L CA -2.002 52.888 54.840 0.083 0.000 0.881 418 L CB 1.200 43.331 42.059 0.120 0.000 1.219 418 L HN 0.552 nan 8.230 nan 0.000 0.441 419 P HA 0.095 nan 4.420 nan 0.000 0.266 419 P C -0.960 176.368 177.300 0.047 0.000 1.193 419 P CA 0.324 63.377 63.100 -0.079 0.000 0.770 419 P CB 0.383 32.055 31.700 -0.046 0.000 0.836 420 F N -1.628 118.333 119.950 0.019 0.000 2.631 420 F HA 0.455 4.985 4.527 0.005 0.000 0.308 420 F C -0.153 175.660 175.800 0.022 0.000 1.097 420 F CA -1.389 56.624 58.000 0.022 0.000 0.952 420 F CB 0.953 39.969 39.000 0.028 0.000 1.307 420 F HN -0.041 nan 8.300 nan 0.000 0.450 421 E N 2.300 122.656 120.200 0.260 0.000 1.972 421 E HA 0.117 4.470 4.350 0.005 0.000 0.292 421 E C 1.283 178.032 176.600 0.249 0.000 1.193 421 E CA -0.004 56.493 56.400 0.162 0.000 1.228 421 E CB 0.462 30.221 29.700 0.098 0.000 1.167 421 E HN 0.822 nan 8.360 nan 0.000 0.479 422 R N 2.282 122.986 120.500 0.340 0.000 2.136 422 R HA -0.320 4.023 4.340 0.005 0.000 0.242 422 R C 1.827 178.251 176.300 0.207 0.000 1.131 422 R CA 2.304 58.639 56.100 0.391 0.000 0.937 422 R CB -0.307 30.201 30.300 0.347 0.000 0.863 422 R HN 0.379 nan 8.270 nan 0.000 0.435 423 A N -0.382 122.518 122.820 0.133 0.000 1.879 423 A HA -0.362 3.961 4.320 0.005 0.000 0.222 423 A C 2.416 180.055 177.584 0.091 0.000 1.368 423 A CA 3.382 55.474 52.037 0.092 0.000 0.707 423 A CB -1.908 17.128 19.000 0.061 0.000 0.846 423 A HN 0.758 nan 8.150 nan 0.000 0.468 424 T N -2.757 111.845 114.554 0.079 0.000 3.055 424 T HA 0.154 4.507 4.350 0.005 0.000 0.265 424 T C 1.669 176.395 174.700 0.044 0.000 1.111 424 T CA 1.144 63.275 62.100 0.051 0.000 1.118 424 T CB -0.404 68.483 68.868 0.031 0.000 0.909 424 T HN 0.305 nan 8.240 nan 0.000 0.501 425 I N 0.672 121.293 120.570 0.085 0.000 2.233 425 I HA -0.026 4.147 4.170 0.005 0.000 0.243 425 I C 2.485 178.685 176.117 0.137 0.000 1.093 425 I CA 0.909 62.251 61.300 0.070 0.000 1.380 425 I CB -0.196 37.875 38.000 0.118 0.000 1.067 425 I HN 0.170 nan 8.210 nan 0.000 0.413 426 M N 0.146 119.884 119.600 0.230 0.000 2.213 426 M HA -0.103 4.380 4.480 0.005 0.000 0.263 426 M C 2.493 178.959 176.300 0.276 0.000 1.062 426 M CA 1.517 57.024 55.300 0.345 0.000 1.105 426 M CB -1.522 31.192 32.600 0.190 0.000 1.385 426 M HN 0.292 nan 8.290 nan 0.000 0.417 427 A N 0.161 123.059 122.820 0.131 0.000 1.972 427 A HA 0.054 4.377 4.320 0.005 0.000 0.219 427 A C 2.302 179.899 177.584 0.022 0.000 1.169 427 A CA 1.746 53.827 52.037 0.074 0.000 0.635 427 A CB -0.744 18.282 19.000 0.042 0.000 0.810 427 A HN 0.475 nan 8.150 nan 0.000 0.446 428 A N -1.764 121.007 122.820 -0.082 0.000 2.209 428 A HA 0.230 4.553 4.320 0.005 0.000 0.212 428 A C 1.170 178.554 177.584 -0.333 0.000 1.158 428 A CA 0.499 52.394 52.037 -0.236 0.000 0.742 428 A CB -0.663 18.122 19.000 -0.359 0.000 0.790 428 A HN 0.435 nan 8.150 nan 0.000 0.472 429 F N -0.394 119.554 119.950 -0.004 0.000 2.692 429 F HA 0.184 4.714 4.527 0.005 0.000 0.303 429 F C 1.894 177.692 175.800 -0.003 0.000 1.114 429 F CA -0.027 57.968 58.000 -0.009 0.000 1.361 429 F CB 0.273 39.265 39.000 -0.013 0.000 1.063 429 F HN 0.004 nan 8.300 nan 0.000 0.550 430 K N 0.427 120.895 120.400 0.115 0.000 1.979 430 K HA 0.026 4.349 4.320 0.005 0.000 0.213 430 K C 2.343 178.990 176.600 0.078 0.000 1.036 430 K CA 1.273 57.618 56.287 0.097 0.000 0.954 430 K CB -1.128 31.416 32.500 0.074 0.000 0.743 430 K HN 0.286 nan 8.250 nan 0.000 0.443 431 G N 2.253 111.087 108.800 0.057 0.000 2.535 431 G HA2 -0.161 3.802 3.960 0.005 0.000 0.218 431 G HA3 -0.161 3.802 3.960 0.005 0.000 0.218 431 G C 0.297 175.180 174.900 -0.027 0.000 1.122 431 G CA -0.003 45.116 45.100 0.031 0.000 0.769 431 G HN 0.335 nan 8.290 nan 0.000 0.549 432 N N 0.560 119.263 118.700 0.004 0.000 2.052 432 N HA 0.037 4.780 4.740 0.005 0.000 0.283 432 N C -0.067 175.428 175.510 -0.025 0.000 1.272 432 N CA 0.835 53.886 53.050 0.000 0.000 0.810 432 N CB 0.358 38.888 38.487 0.071 0.000 1.042 432 N HN 0.033 nan 8.380 nan 0.000 0.483 433 T N 0.172 114.696 114.554 -0.051 0.000 2.909 433 T HA 0.167 4.520 4.350 0.005 0.000 0.299 433 T C 1.054 175.727 174.700 -0.045 0.000 1.073 433 T CA -0.592 61.470 62.100 -0.064 0.000 0.999 433 T CB 1.547 70.344 68.868 -0.119 0.000 1.098 433 T HN 0.503 nan 8.240 nan 0.000 0.477 434 E N 2.252 122.430 120.200 -0.035 0.000 2.118 434 E HA 0.016 4.369 4.350 0.005 0.000 0.195 434 E C 1.189 177.770 176.600 -0.032 0.000 0.992 434 E CA 2.081 58.465 56.400 -0.026 0.000 0.804 434 E CB -0.391 29.296 29.700 -0.021 0.000 0.741 434 E HN 0.708 nan 8.360 nan 0.000 0.458 435 G N -1.045 107.729 108.800 -0.043 0.000 3.410 435 G HA2 0.110 4.073 3.960 0.005 0.000 0.189 435 G HA3 0.110 4.073 3.960 0.005 0.000 0.189 435 G C 0.726 175.594 174.900 -0.052 0.000 1.404 435 G CA -0.154 44.920 45.100 -0.043 0.000 0.898 435 G HN 0.062 nan 8.290 nan 0.000 0.650 436 R N 0.130 120.597 120.500 -0.056 0.000 2.300 436 R HA 0.075 4.418 4.340 0.005 0.000 0.199 436 R C 0.795 177.055 176.300 -0.067 0.000 0.920 436 R CA 1.243 57.310 56.100 -0.054 0.000 1.046 436 R CB 0.060 30.332 30.300 -0.046 0.000 0.984 436 R HN 0.504 nan 8.270 nan 0.000 0.493 437 T N -3.400 111.100 114.554 -0.090 0.000 3.442 437 T HA 0.134 4.487 4.350 0.005 0.000 0.295 437 T C 0.862 175.475 174.700 -0.144 0.000 1.007 437 T CA -0.346 61.685 62.100 -0.114 0.000 0.962 437 T CB 0.825 69.612 68.868 -0.135 0.000 1.187 437 T HN -0.154 nan 8.240 nan 0.000 0.490 438 S N 2.233 117.866 115.700 -0.113 0.000 2.351 438 S HA -0.171 4.302 4.470 0.005 0.000 0.220 438 S C 1.498 176.032 174.600 -0.110 0.000 1.035 438 S CA 2.276 60.409 58.200 -0.113 0.000 1.031 438 S CB -0.492 62.664 63.200 -0.072 0.000 0.928 438 S HN 0.670 nan 8.310 nan 0.000 0.433 439 D N 1.169 121.518 120.400 -0.084 0.000 2.205 439 D HA -0.188 4.455 4.640 0.005 0.000 0.190 439 D C 1.931 178.189 176.300 -0.070 0.000 1.002 439 D CA 1.498 55.456 54.000 -0.070 0.000 0.848 439 D CB -0.539 40.225 40.800 -0.060 0.000 0.975 439 D HN 0.243 nan 8.370 nan 0.000 0.449 440 M N 0.330 119.884 119.600 -0.077 0.000 2.226 440 M HA -0.183 4.299 4.480 0.005 0.000 0.257 440 M C 2.045 178.312 176.300 -0.055 0.000 1.070 440 M CA 1.612 56.872 55.300 -0.066 0.000 1.087 440 M CB -0.534 32.017 32.600 -0.082 0.000 1.278 440 M HN -0.001 nan 8.290 nan 0.000 0.426 441 R N -1.290 119.104 120.500 -0.177 0.000 2.133 441 R HA -0.200 4.143 4.340 0.005 0.000 0.245 441 R C 2.050 178.342 176.300 -0.013 0.000 1.137 441 R CA 2.270 58.177 56.100 -0.321 0.000 0.947 441 R CB -1.321 28.636 30.300 -0.572 0.000 0.865 441 R HN 0.451 nan 8.270 nan 0.000 0.437 442 T N 0.437 114.963 114.554 -0.047 0.000 2.833 442 T HA -0.142 4.211 4.350 0.005 0.000 0.269 442 T C 1.635 176.346 174.700 0.018 0.000 1.054 442 T CA 1.469 63.566 62.100 -0.006 0.000 1.135 442 T CB -0.130 68.713 68.868 -0.042 0.000 0.869 442 T HN 0.243 nan 8.240 nan 0.000 0.466 443 E N 0.942 121.149 120.200 0.011 0.000 2.112 443 E HA -0.023 4.330 4.350 0.005 0.000 0.190 443 E C 2.000 178.624 176.600 0.039 0.000 0.979 443 E CA 0.545 56.951 56.400 0.010 0.000 0.814 443 E CB -0.331 29.364 29.700 -0.009 0.000 0.762 443 E HN 0.319 nan 8.360 nan 0.000 0.460 444 I N 0.451 121.076 120.570 0.093 0.000 2.252 444 I HA -0.194 3.979 4.170 0.005 0.000 0.245 444 I C 2.236 178.402 176.117 0.082 0.000 1.102 444 I CA 0.807 62.169 61.300 0.103 0.000 1.385 444 I CB -1.078 37.051 38.000 0.214 0.000 1.064 444 I HN 0.131 nan 8.210 nan 0.000 0.414 445 I N 0.707 121.366 120.570 0.148 0.000 2.264 445 I HA -0.258 3.915 4.170 0.005 0.000 0.248 445 I C 2.830 178.974 176.117 0.046 0.000 1.111 445 I CA 1.322 62.681 61.300 0.097 0.000 1.382 445 I CB -0.512 37.567 38.000 0.131 0.000 1.060 445 I HN 0.166 nan 8.210 nan 0.000 0.418 446 R N 0.024 120.547 120.500 0.039 0.000 2.070 446 R HA -0.165 4.177 4.340 0.005 0.000 0.233 446 R C 2.256 178.561 176.300 0.009 0.000 1.137 446 R CA 1.793 57.903 56.100 0.017 0.000 0.945 446 R CB -0.232 30.071 30.300 0.005 0.000 0.845 446 R HN 0.281 nan 8.270 nan 0.000 0.430 447 M N -0.432 119.172 119.600 0.007 0.000 2.254 447 M HA -0.091 4.392 4.480 0.005 0.000 0.265 447 M C 2.326 178.623 176.300 -0.005 0.000 1.066 447 M CA 1.403 56.702 55.300 -0.002 0.000 1.123 447 M CB -0.028 32.570 32.600 -0.004 0.000 1.388 447 M HN 0.166 nan 8.290 nan 0.000 0.425 448 M N -0.527 119.069 119.600 -0.007 0.000 2.132 448 M HA -0.196 4.287 4.480 0.005 0.000 0.263 448 M C 2.045 178.340 176.300 -0.009 0.000 1.065 448 M CA 1.509 56.798 55.300 -0.017 0.000 1.122 448 M CB -0.287 32.291 32.600 -0.037 0.000 1.365 448 M HN 0.147 nan 8.290 nan 0.000 0.411 449 E N 0.504 120.705 120.200 0.001 0.000 2.110 449 E HA -0.161 4.192 4.350 0.005 0.000 0.193 449 E C 1.736 178.338 176.600 0.003 0.000 0.988 449 E CA 1.817 58.220 56.400 0.006 0.000 0.804 449 E CB 0.043 29.752 29.700 0.015 0.000 0.745 449 E HN 0.475 nan 8.360 nan 0.000 0.458 450 S N -0.963 114.737 115.700 0.000 0.000 2.575 450 S HA 0.390 4.863 4.470 0.005 0.000 0.215 450 S C 0.671 175.267 174.600 -0.006 0.000 0.966 450 S CA -0.100 58.099 58.200 -0.002 0.000 0.911 450 S CB 0.363 63.562 63.200 -0.002 0.000 0.780 450 S HN 0.318 nan 8.310 nan 0.000 0.514 451 A N 2.096 124.911 122.820 -0.008 0.000 2.340 451 A HA 0.763 5.086 4.320 0.005 0.000 0.268 451 A C 0.151 177.730 177.584 -0.008 0.000 1.100 451 A CA -0.617 51.413 52.037 -0.011 0.000 0.803 451 A CB 0.493 19.484 19.000 -0.014 0.000 1.043 451 A HN 0.325 nan 8.150 nan 0.000 0.488 452 R N 1.430 121.924 120.500 -0.010 0.000 2.686 452 R HA 0.385 4.728 4.340 0.005 0.000 0.283 452 R C -2.523 173.772 176.300 -0.007 0.000 0.978 452 R CA -2.324 53.773 56.100 -0.006 0.000 0.897 452 R CB 1.062 31.358 30.300 -0.007 0.000 1.192 452 R HN 0.360 nan 8.270 nan 0.000 0.457 453 P HA -0.157 nan 4.420 nan 0.000 0.218 453 P C 0.177 177.467 177.300 -0.017 0.000 1.146 453 P CA 1.285 64.388 63.100 0.005 0.000 0.813 453 P CB 0.408 32.120 31.700 0.020 0.000 0.778 454 E N -1.038 119.151 120.200 -0.019 0.000 2.418 454 E HA -0.053 4.300 4.350 0.005 0.000 0.197 454 E C 0.425 177.003 176.600 -0.036 0.000 1.026 454 E CA 0.205 56.588 56.400 -0.029 0.000 0.862 454 E CB -0.577 29.111 29.700 -0.020 0.000 0.799 454 E HN 0.335 nan 8.360 nan 0.000 0.518 455 D N 1.367 121.746 120.400 -0.035 0.000 2.525 455 D HA -0.014 4.629 4.640 0.005 0.000 0.235 455 D C -0.010 176.255 176.300 -0.060 0.000 1.137 455 D CA 0.283 54.257 54.000 -0.044 0.000 0.868 455 D CB 1.107 41.881 40.800 -0.044 0.000 1.180 455 D HN -0.161 nan 8.370 nan 0.000 0.465 456 V N 1.414 121.290 119.914 -0.063 0.000 2.863 456 V HA 0.505 4.628 4.120 0.005 0.000 0.307 456 V C 0.690 176.716 176.094 -0.113 0.000 1.061 456 V CA -0.488 61.769 62.300 -0.072 0.000 1.024 456 V CB 1.764 33.556 31.823 -0.051 0.000 1.049 456 V HN 0.453 nan 8.190 nan 0.000 0.471 457 S N 0.150 115.773 115.700 -0.130 0.000 2.661 457 S HA 0.698 5.171 4.470 0.005 0.000 0.285 457 S C -0.457 174.042 174.600 -0.167 0.000 1.138 457 S CA -0.671 57.344 58.200 -0.309 0.000 0.855 457 S CB 1.102 63.957 63.200 -0.575 0.000 1.136 457 S HN 0.686 nan 8.310 nan 0.000 0.484 458 F N 0.581 120.522 119.950 -0.016 0.000 3.082 458 F HA -0.236 4.294 4.527 0.005 0.000 0.272 458 F C 1.043 176.828 175.800 -0.026 0.000 0.936 458 F CA 0.312 58.303 58.000 -0.016 0.000 0.920 458 F CB -1.701 37.287 39.000 -0.020 0.000 0.901 458 F HN 0.505 nan 8.300 nan 0.000 0.695 459 Q N 0.553 120.389 119.800 0.060 0.000 2.348 459 Q HA 0.216 4.559 4.340 0.005 0.000 0.331 459 Q C 1.343 177.368 176.000 0.041 0.000 1.099 459 Q CA 0.930 56.753 55.803 0.033 0.000 1.021 459 Q CB 0.457 29.195 28.738 -0.000 0.000 1.166 459 Q HN 0.731 nan 8.270 nan 0.000 0.393 460 G N 2.258 111.068 108.800 0.017 0.000 4.039 460 G HA2 -0.303 3.660 3.960 0.005 0.000 0.220 460 G HA3 -0.303 3.660 3.960 0.005 0.000 0.220 460 G C 0.085 174.977 174.900 -0.014 0.000 1.391 460 G CA 0.174 45.276 45.100 0.002 0.000 0.920 460 G HN 0.572 nan 8.290 nan 0.000 0.599 461 R N 2.777 123.291 120.500 0.023 0.000 2.523 461 R HA 0.419 4.762 4.340 0.005 0.000 0.281 461 R C 0.884 177.117 176.300 -0.112 0.000 0.969 461 R CA 0.964 57.059 56.100 -0.009 0.000 1.093 461 R CB -0.085 30.249 30.300 0.058 0.000 0.917 461 R HN 0.954 nan 8.270 nan 0.000 0.408 462 G N 0.391 109.038 108.800 -0.254 0.000 3.243 462 G HA2 0.589 4.551 3.960 0.005 0.000 0.248 462 G HA3 0.589 4.551 3.960 0.005 0.000 0.248 462 G C -0.526 173.997 174.900 -0.628 0.000 1.267 462 G CA -0.125 44.731 45.100 -0.408 0.000 0.906 462 G HN 0.460 nan 8.290 nan 0.000 0.592 463 V N -2.813 116.667 119.914 -0.724 0.000 3.302 463 V HA 0.917 5.040 4.120 0.005 0.000 0.316 463 V C -0.904 174.490 176.094 -1.168 0.000 1.111 463 V CA -1.129 60.712 62.300 -0.766 0.000 1.029 463 V CB 1.327 32.870 31.823 -0.465 0.000 1.170 463 V HN 0.466 nan 8.190 nan 0.000 0.452 464 F N -1.120 118.514 119.950 -0.528 0.000 2.588 464 F HA 0.613 5.143 4.527 0.005 0.000 0.310 464 F C 0.134 176.009 175.800 0.125 0.000 1.082 464 F CA -0.720 57.073 58.000 -0.345 0.000 0.929 464 F CB 1.663 40.198 39.000 -0.774 0.000 1.254 464 F HN 0.482 nan 8.300 nan 0.000 0.455 465 E N 1.382 121.865 120.200 0.471 0.000 2.373 465 E HA 0.230 4.583 4.350 0.005 0.000 0.263 465 E C 0.739 177.650 176.600 0.517 0.000 1.073 465 E CA 0.050 56.692 56.400 0.403 0.000 0.894 465 E CB 1.269 31.110 29.700 0.234 0.000 1.008 465 E HN 0.642 nan 8.360 nan 0.000 0.420 466 L N 1.458 122.876 121.223 0.325 0.000 2.141 466 L HA -0.158 4.185 4.340 0.005 0.000 0.209 466 L C 1.899 178.818 176.870 0.082 0.000 1.094 466 L CA 1.021 55.961 54.840 0.166 0.000 0.763 466 L CB -0.319 41.789 42.059 0.082 0.000 0.908 466 L HN 0.336 nan 8.230 nan 0.000 0.437 467 S N -1.172 114.589 115.700 0.102 0.000 2.626 467 S HA -0.128 4.345 4.470 0.005 0.000 0.245 467 S C 0.477 175.140 174.600 0.105 0.000 0.973 467 S CA 0.678 58.923 58.200 0.075 0.000 0.959 467 S CB -0.528 62.712 63.200 0.067 0.000 0.762 467 S HN 0.349 nan 8.310 nan 0.000 0.539 468 D N 0.750 121.255 120.400 0.176 0.000 2.502 468 D HA 0.207 4.850 4.640 0.005 0.000 0.301 468 D C 0.621 177.038 176.300 0.195 0.000 1.202 468 D CA -0.314 53.829 54.000 0.238 0.000 0.878 468 D CB 0.429 41.468 40.800 0.397 0.000 1.062 468 D HN 0.187 nan 8.370 nan 0.000 0.499 469 E N 1.408 121.622 120.200 0.025 0.000 2.158 469 E HA -0.020 4.333 4.350 0.005 0.000 0.191 469 E C -0.069 176.510 176.600 -0.035 0.000 0.982 469 E CA 0.537 56.875 56.400 -0.104 0.000 0.823 469 E CB 0.353 29.978 29.700 -0.125 0.000 0.766 469 E HN 0.237 nan 8.360 nan 0.000 0.468 470 K N 1.069 121.484 120.400 0.025 0.000 2.262 470 K HA 0.231 4.554 4.320 0.005 0.000 0.288 470 K C -0.308 176.341 176.600 0.081 0.000 1.090 470 K CA -0.074 56.236 56.287 0.039 0.000 0.918 470 K CB 1.296 33.821 32.500 0.041 0.000 1.139 470 K HN 0.021 nan 8.250 nan 0.000 0.462 471 A N 3.286 126.116 122.820 0.016 0.000 2.558 471 A HA -0.027 4.296 4.320 0.005 0.000 0.235 471 A C 0.990 178.687 177.584 0.189 0.000 1.677 471 A CA 0.205 52.156 52.037 -0.144 0.000 1.531 471 A CB -0.942 17.651 19.000 -0.677 0.000 0.841 471 A HN 0.700 nan 8.150 nan 0.000 0.631 472 T N -0.737 113.946 114.554 0.214 0.000 3.100 472 T HA 0.024 4.377 4.350 0.005 0.000 0.253 472 T C 0.880 175.707 174.700 0.211 0.000 1.118 472 T CA 0.532 62.743 62.100 0.185 0.000 1.058 472 T CB -0.107 68.832 68.868 0.118 0.000 0.953 472 T HN 0.490 nan 8.240 nan 0.000 0.515 473 N N 2.363 121.248 118.700 0.308 0.000 2.918 473 N HA 0.243 4.986 4.740 0.005 0.000 0.270 473 N C -3.054 172.454 175.510 -0.003 0.000 1.536 473 N CA -1.971 51.179 53.050 0.168 0.000 0.877 473 N CB 1.005 39.587 38.487 0.158 0.000 1.190 473 N HN 0.138 nan 8.380 nan 0.000 0.492 474 P HA 0.246 nan 4.420 nan 0.000 0.275 474 P C -0.473 176.572 177.300 -0.425 0.000 1.227 474 P CA -0.177 62.535 63.100 -0.647 0.000 0.781 474 P CB 1.368 32.825 31.700 -0.404 0.000 0.906 475 I N 2.307 122.566 120.570 -0.519 0.000 2.406 475 I HA 0.241 4.414 4.170 0.005 0.000 0.290 475 I C -0.054 175.844 176.117 -0.365 0.000 0.999 475 I CA -0.892 60.206 61.300 -0.337 0.000 1.124 475 I CB 2.121 39.956 38.000 -0.275 0.000 1.289 475 I HN 0.001 nan 8.210 nan 0.000 0.441 476 V N 7.838 127.588 119.914 -0.274 0.000 2.311 476 V HA 0.353 4.476 4.120 0.005 0.000 0.275 476 V C -1.839 174.062 176.094 -0.321 0.000 1.022 476 V CA -1.286 60.850 62.300 -0.274 0.000 0.830 476 V CB 0.911 32.635 31.823 -0.165 0.000 1.012 476 V HN 0.627 nan 8.190 nan 0.000 0.452 477 P HA 0.207 nan 4.420 nan 0.000 0.282 477 P C -0.313 176.630 177.300 -0.596 0.000 1.262 477 P CA 0.014 62.627 63.100 -0.811 0.000 0.773 477 P CB 1.364 31.885 31.700 -1.965 0.000 0.879 478 S N 2.827 118.310 115.700 -0.362 0.000 2.523 478 S HA 0.366 4.838 4.470 0.005 0.000 0.275 478 S C -0.522 173.932 174.600 -0.244 0.000 1.281 478 S CA -0.615 57.489 58.200 -0.159 0.000 1.050 478 S CB -0.422 62.735 63.200 -0.072 0.000 0.937 478 S HN 0.213 nan 8.310 nan 0.000 0.492 479 F N 3.942 123.834 119.950 -0.095 0.000 2.395 479 F HA 0.339 4.868 4.527 0.005 0.000 0.347 479 F C 0.788 176.566 175.800 -0.037 0.000 1.157 479 F CA -0.790 57.170 58.000 -0.065 0.000 1.272 479 F CB 0.684 39.640 39.000 -0.074 0.000 1.607 479 F HN 0.544 nan 8.300 nan 0.000 0.571 480 D N 0.881 121.327 120.400 0.077 0.000 2.360 480 D HA 0.088 4.731 4.640 0.005 0.000 0.210 480 D C 0.754 177.084 176.300 0.049 0.000 1.047 480 D CA 0.321 54.355 54.000 0.056 0.000 0.854 480 D CB 0.140 40.956 40.800 0.026 0.000 0.936 480 D HN 0.209 nan 8.370 nan 0.000 0.514 481 M N 1.284 120.915 119.600 0.051 0.000 2.504 481 M HA -0.067 4.416 4.480 0.005 0.000 0.378 481 M C 0.387 176.723 176.300 0.060 0.000 1.706 481 M CA 0.134 55.464 55.300 0.050 0.000 1.036 481 M CB -0.007 32.626 32.600 0.054 0.000 2.129 481 M HN -0.095 nan 8.290 nan 0.000 0.474 482 S N 4.930 120.653 115.700 0.038 0.000 2.596 482 S HA 0.053 4.526 4.470 0.005 0.000 0.298 482 S C 0.298 174.916 174.600 0.031 0.000 1.255 482 S CA -0.951 57.266 58.200 0.029 0.000 1.083 482 S CB -0.166 63.045 63.200 0.018 0.000 0.837 482 S HN 0.790 nan 8.310 nan 0.000 0.499 483 N N 3.282 121.996 118.700 0.023 0.000 1.960 483 N HA -0.169 4.574 4.740 0.005 0.000 0.299 483 N C 0.070 175.592 175.510 0.021 0.000 1.267 483 N CA 0.409 53.468 53.050 0.016 0.000 0.802 483 N CB 0.032 38.505 38.487 -0.023 0.000 1.031 483 N HN 0.728 nan 8.380 nan 0.000 0.490 484 E N 1.148 121.371 120.200 0.037 0.000 2.335 484 E HA 0.114 4.467 4.350 0.005 0.000 0.191 484 E C 1.276 177.887 176.600 0.018 0.000 1.150 484 E CA 0.615 57.036 56.400 0.034 0.000 1.001 484 E CB -1.084 28.649 29.700 0.054 0.000 1.127 484 E HN 0.835 nan 8.360 nan 0.000 0.462 485 G N 0.634 109.429 108.800 -0.008 0.000 2.496 485 G HA2 -0.298 3.665 3.960 0.005 0.000 0.243 485 G HA3 -0.298 3.665 3.960 0.005 0.000 0.243 485 G C 0.565 175.404 174.900 -0.102 0.000 1.176 485 G CA 0.201 45.275 45.100 -0.043 0.000 0.940 485 G HN 0.283 nan 8.290 nan 0.000 0.573 486 S N -3.156 112.448 115.700 -0.161 0.000 2.707 486 S HA 0.213 4.686 4.470 0.005 0.000 0.224 486 S C -0.274 174.256 174.600 -0.117 0.000 0.931 486 S CA 0.673 58.734 58.200 -0.232 0.000 1.243 486 S CB -0.109 62.802 63.200 -0.481 0.000 0.949 486 S HN 0.811 nan 8.310 nan 0.000 0.384 487 Y N 2.202 122.567 120.300 0.110 0.000 2.404 487 Y HA 0.374 4.927 4.550 0.005 0.000 0.344 487 Y C 0.904 176.906 175.900 0.170 0.000 0.970 487 Y CA -0.864 57.330 58.100 0.158 0.000 1.180 487 Y CB 0.512 39.056 38.460 0.140 0.000 1.138 487 Y HN 0.311 nan 8.280 nan 0.000 0.510 488 F N 2.300 122.350 119.950 0.167 0.000 2.087 488 F HA -0.266 4.264 4.527 0.004 0.000 0.299 488 F C 0.980 176.719 175.800 -0.101 0.000 1.100 488 F CA 1.712 59.685 58.000 -0.045 0.000 1.226 488 F CB -0.193 38.703 39.000 -0.173 0.000 0.983 488 F HN 0.436 nan 8.300 nan 0.000 0.479 489 F N 0.511 120.502 119.950 0.069 0.000 2.645 489 F HA 0.352 4.882 4.527 0.005 0.000 0.300 489 F C 1.381 177.197 175.800 0.027 0.000 1.115 489 F CA -0.130 57.842 58.000 -0.048 0.000 1.355 489 F CB -0.747 38.306 39.000 0.089 0.000 1.026 489 F HN -0.084 nan 8.300 nan 0.000 0.536 490 G N 0.501 109.443 108.800 0.237 0.000 2.491 490 G HA2 0.233 4.196 3.960 0.005 0.000 0.242 490 G HA3 0.233 4.196 3.960 0.005 0.000 0.242 490 G C -0.581 174.391 174.900 0.119 0.000 1.266 490 G CA -0.605 44.623 45.100 0.213 0.000 0.844 490 G HN 0.303 nan 8.290 nan 0.000 0.571 491 D N -0.219 120.239 120.400 0.097 0.000 2.345 491 D HA 0.328 4.971 4.640 0.005 0.000 0.247 491 D C 0.500 176.830 176.300 0.050 0.000 1.108 491 D CA -0.639 53.396 54.000 0.060 0.000 0.894 491 D CB 0.927 41.756 40.800 0.048 0.000 1.203 491 D HN 0.507 nan 8.370 nan 0.000 0.430 492 N N 0.735 119.451 118.700 0.028 0.000 2.741 492 N HA 0.770 5.513 4.740 0.005 0.000 0.310 492 N C -1.134 174.387 175.510 0.018 0.000 1.295 492 N CA -0.555 52.508 53.050 0.022 0.000 0.893 492 N CB 1.450 39.941 38.487 0.006 0.000 1.247 492 N HN 0.805 nan 8.380 nan 0.000 0.596 493 A N -1.335 121.494 122.820 0.015 0.000 2.395 493 A HA 0.524 4.847 4.320 0.005 0.000 0.297 493 A C -1.197 176.394 177.584 0.012 0.000 0.966 493 A CA -0.077 51.968 52.037 0.013 0.000 0.570 493 A CB -1.032 17.978 19.000 0.016 0.000 1.447 493 A HN 1.184 nan 8.150 nan 0.000 0.511 494 E N -1.244 118.963 120.200 0.011 0.000 9.214 494 E HA 0.225 4.578 4.350 0.005 0.000 0.465 494 E C -0.195 176.410 176.600 0.010 0.000 1.407 494 E CA 3.123 59.529 56.400 0.011 0.000 2.446 494 E CB -0.163 29.544 29.700 0.012 0.000 1.031 494 E HN 2.684 nan 8.360 nan 0.000 0.329 495 E N 0.000 120.205 120.200 0.009 0.000 2.725 495 E HA 0.000 4.353 4.350 0.005 0.000 0.291 495 E CA 0.000 56.405 56.400 0.008 0.000 0.976 495 E CB 0.000 29.705 29.700 0.008 0.000 0.812 495 E HN 0.000 nan 8.360 nan 0.000 0.440