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 3bi5_1_B DATA FIRST_RESID 8 DATA SEQUENCE KKKVIIIGAG IAGLKAASTL HQNGIQDCLV LEARDRVGGR LQTVTGYQGR DATA SEQUENCE KYDIGASWHH DTLTNPLFLE EAQLSLNDGR TRFVFDDDNF IYIDEERGRV DATA SEQUENCE DHDKELLLEI VDNEMSKFAE LEFHQHLGVS DCSFFQLVMK YLLQRRQFLT DATA SEQUENCE NDQIRYLPQL CRYLELWHGL DWKLLSAKDT YFGHQGRNAF ALNYDSVVQR DATA SEQUENCE IAQSFPQNWL KLScEVKSIT REPSKNVTVN cEDGTVYNAD YVIITVPQSV DATA SEQUENCE LNLSVQPEKN LRGRIEFQPP LKPVIQDAFD KIHFGALGKV IFEFEECCWS DATA SEQUENCE NESSKIVTLA NSTNEFVEIV RNAENLDELD SMLEREXXXX XTSVTCWSQP DATA SEQUENCE LFFVNLSKST GVASFMMLMQ APLTNHIESI REDKERLFSF FQPVLNKIMK DATA SEQUENCE CLDSEDVIDG MRPIENIANA NKPVLRNIIV SNWTRDPYSR GAYSACFPGD DATA SEQUENCE DPVDMVVAMS NGQDSRIRFA GEHTIMDGAG CAYGAWESGR REATRISDLL DATA SEQUENCE KLEH 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 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.612 176.600 0.019 0.000 0.988 8 K CA 0.000 56.307 56.287 0.034 0.000 0.838 8 K CB 0.000 32.537 32.500 0.062 0.000 1.064 9 K N 1.007 121.408 120.400 0.001 0.000 2.371 9 K HA 0.518 4.838 4.320 0.001 0.000 0.251 9 K C -0.075 176.496 176.600 -0.048 0.000 0.934 9 K CA -0.824 55.432 56.287 -0.051 0.000 0.798 9 K CB 1.987 34.425 32.500 -0.103 0.000 1.204 9 K HN 0.019 nan 8.250 nan 0.000 0.427 10 K N 0.490 120.845 120.400 -0.075 0.000 1.975 10 K HA 0.082 4.403 4.320 0.001 0.000 0.210 10 K C 0.609 177.191 176.600 -0.030 0.000 1.041 10 K CA 1.082 57.347 56.287 -0.037 0.000 0.942 10 K CB 0.126 32.585 32.500 -0.068 0.000 0.729 10 K HN 0.342 nan 8.250 nan 0.000 0.439 11 V N 1.809 121.636 119.914 -0.146 0.000 2.638 11 V HA 0.375 4.495 4.120 0.001 0.000 0.306 11 V C -0.331 175.618 176.094 -0.242 0.000 1.052 11 V CA -0.644 61.569 62.300 -0.144 0.000 0.885 11 V CB 2.117 33.831 31.823 -0.183 0.000 0.999 11 V HN 0.096 nan 8.190 nan 0.000 0.424 12 I N 5.551 126.007 120.570 -0.189 0.000 2.371 12 I HA 0.424 4.595 4.170 0.001 0.000 0.282 12 I C -0.409 175.590 176.117 -0.196 0.000 1.031 12 I CA -0.239 60.918 61.300 -0.237 0.000 1.180 12 I CB 1.202 39.071 38.000 -0.217 0.000 1.336 12 I HN 0.474 nan 8.210 nan 0.000 0.467 13 I N 7.032 127.470 120.570 -0.222 0.000 2.396 13 I HA 0.243 4.414 4.170 0.001 0.000 0.289 13 I C 0.114 176.148 176.117 -0.139 0.000 1.056 13 I CA -0.194 61.005 61.300 -0.169 0.000 1.365 13 I CB 0.785 38.675 38.000 -0.183 0.000 1.407 13 I HN 0.376 nan 8.210 nan 0.000 0.509 14 I N 6.327 126.837 120.570 -0.099 0.000 2.304 14 I HA 0.502 4.672 4.170 0.001 0.000 0.291 14 I C 0.565 176.657 176.117 -0.041 0.000 1.018 14 I CA -0.130 61.126 61.300 -0.074 0.000 1.260 14 I CB 0.881 38.847 38.000 -0.057 0.000 1.390 14 I HN 0.830 nan 8.210 nan 0.000 0.475 15 G N 4.430 113.203 108.800 -0.044 0.000 3.069 15 G HA2 0.107 4.067 3.960 0.001 0.000 0.686 15 G HA3 0.107 4.067 3.960 0.001 0.000 0.686 15 G C -0.335 174.563 174.900 -0.004 0.000 1.161 15 G CA -0.343 44.745 45.100 -0.019 0.000 0.804 15 G HN 0.888 nan 8.290 nan 0.000 0.608 16 A N 1.533 124.362 122.820 0.015 0.000 2.708 16 A HA 0.765 5.085 4.320 0.001 0.000 0.293 16 A C 1.401 179.034 177.584 0.082 0.000 1.303 16 A CA 1.133 53.204 52.037 0.056 0.000 0.949 16 A CB -0.211 18.833 19.000 0.074 0.000 1.121 16 A HN 2.135 nan 8.150 nan 0.000 0.542 17 G N -0.849 107.993 108.800 0.070 0.000 2.588 17 G HA2 0.357 4.318 3.960 0.001 0.000 0.278 17 G HA3 0.357 4.318 3.960 0.001 0.000 0.278 17 G C 1.003 175.970 174.900 0.112 0.000 1.307 17 G CA -0.224 44.925 45.100 0.082 0.000 1.016 17 G HN 0.315 nan 8.290 nan 0.000 0.503 18 I N 0.031 120.678 120.570 0.128 0.000 2.248 18 I HA -0.227 3.943 4.170 0.001 0.000 0.248 18 I C 2.848 179.079 176.117 0.189 0.000 1.107 18 I CA 1.941 63.362 61.300 0.201 0.000 1.373 18 I CB -0.018 38.124 38.000 0.236 0.000 1.055 18 I HN 0.503 nan 8.210 nan 0.000 0.418 19 A N 0.446 123.345 122.820 0.131 0.000 1.834 19 A HA -0.166 4.155 4.320 0.001 0.000 0.216 19 A C 2.406 180.014 177.584 0.039 0.000 1.203 19 A CA 1.878 53.965 52.037 0.083 0.000 0.621 19 A CB -1.764 17.285 19.000 0.082 0.000 0.841 19 A HN 0.482 nan 8.150 nan 0.000 0.446 20 G N -0.438 108.384 108.800 0.036 0.000 2.442 20 G HA2 -0.184 3.776 3.960 0.001 0.000 0.219 20 G HA3 -0.184 3.776 3.960 0.001 0.000 0.219 20 G C 1.570 176.462 174.900 -0.015 0.000 1.141 20 G CA 1.114 46.209 45.100 -0.009 0.000 0.763 20 G HN 0.419 nan 8.290 nan 0.000 0.554 21 L N -0.224 121.041 121.223 0.070 0.000 2.017 21 L HA -0.065 4.276 4.340 0.001 0.000 0.208 21 L C 2.948 179.906 176.870 0.146 0.000 1.073 21 L CA 1.229 56.163 54.840 0.156 0.000 0.745 21 L CB -0.397 41.826 42.059 0.273 0.000 0.894 21 L HN 0.100 nan 8.230 nan 0.000 0.432 22 K N 0.570 121.036 120.400 0.111 0.000 2.057 22 K HA -0.158 4.162 4.320 0.001 0.000 0.207 22 K C 2.088 178.655 176.600 -0.055 0.000 1.049 22 K CA 1.595 57.894 56.287 0.020 0.000 0.931 22 K CB -0.309 32.064 32.500 -0.212 0.000 0.714 22 K HN 0.260 nan 8.250 nan 0.000 0.440 23 A N 1.149 123.920 122.820 -0.082 0.000 1.849 23 A HA -0.220 4.100 4.320 0.001 0.000 0.217 23 A C 2.420 179.951 177.584 -0.087 0.000 1.202 23 A CA 2.967 54.943 52.037 -0.102 0.000 0.629 23 A CB -1.138 17.799 19.000 -0.106 0.000 0.834 23 A HN 0.415 nan 8.150 nan 0.000 0.447 24 A N -0.837 121.899 122.820 -0.141 0.000 1.859 24 A HA -0.207 4.114 4.320 0.001 0.000 0.217 24 A C 2.517 180.130 177.584 0.047 0.000 1.198 24 A CA 2.887 54.807 52.037 -0.194 0.000 0.629 24 A CB -1.413 17.180 19.000 -0.679 0.000 0.830 24 A HN 0.889 nan 8.150 nan 0.000 0.446 25 S N -1.139 114.647 115.700 0.143 0.000 2.381 25 S HA -0.248 4.222 4.470 0.001 0.000 0.230 25 S C 2.027 176.757 174.600 0.216 0.000 1.052 25 S CA 2.667 61.067 58.200 0.333 0.000 1.068 25 S CB -0.845 62.544 63.200 0.314 0.000 0.918 25 S HN 0.652 nan 8.310 nan 0.000 0.448 26 T N 2.414 117.027 114.554 0.097 0.000 2.777 26 T HA 0.050 4.401 4.350 0.001 0.000 0.266 26 T C 1.769 176.509 174.700 0.066 0.000 1.040 26 T CA 1.448 63.573 62.100 0.041 0.000 1.141 26 T CB -0.390 68.449 68.868 -0.050 0.000 0.868 26 T HN 0.347 nan 8.240 nan 0.000 0.444 27 L N 0.077 121.352 121.223 0.087 0.000 2.046 27 L HA -0.151 4.190 4.340 0.001 0.000 0.208 27 L C 2.586 179.598 176.870 0.236 0.000 1.077 27 L CA 1.546 56.451 54.840 0.107 0.000 0.747 27 L CB -0.506 41.588 42.059 0.057 0.000 0.896 27 L HN 0.325 nan 8.230 nan 0.000 0.432 28 H N -0.102 119.116 119.070 0.246 0.000 2.326 28 H HA -0.192 4.365 4.556 0.001 0.000 0.301 28 H C 2.217 177.602 175.328 0.094 0.000 1.081 28 H CA 1.655 57.821 56.048 0.197 0.000 1.334 28 H CB 0.014 29.826 29.762 0.084 0.000 1.385 28 H HN 0.227 nan 8.280 nan 0.000 0.504 29 Q N -0.219 119.614 119.800 0.054 0.000 2.443 29 Q HA -0.122 4.218 4.340 0.001 0.000 0.213 29 Q C 0.448 176.416 176.000 -0.053 0.000 0.982 29 Q CA 1.106 56.889 55.803 -0.034 0.000 0.894 29 Q CB 0.072 28.833 28.738 0.038 0.000 0.947 29 Q HN 0.525 nan 8.270 nan 0.000 0.480 30 N N -1.105 117.579 118.700 -0.027 0.000 2.234 30 N HA 0.093 4.833 4.740 0.001 0.000 0.227 30 N C 0.157 175.651 175.510 -0.026 0.000 1.151 30 N CA 0.727 53.761 53.050 -0.027 0.000 0.865 30 N CB 1.368 39.845 38.487 -0.017 0.000 1.066 30 N HN 0.332 nan 8.380 nan 0.000 0.515 31 G N 1.269 110.037 108.800 -0.054 0.000 2.179 31 G HA2 -0.242 3.719 3.960 0.001 0.000 0.257 31 G HA3 -0.242 3.719 3.960 0.001 0.000 0.257 31 G C 0.029 174.962 174.900 0.055 0.000 1.010 31 G CA -0.054 45.030 45.100 -0.026 0.000 0.736 31 G HN 0.222 nan 8.290 nan 0.000 0.513 32 I N 0.369 121.003 120.570 0.107 0.000 2.396 32 I HA 0.428 4.599 4.170 0.001 0.000 0.292 32 I C 0.645 176.921 176.117 0.265 0.000 0.999 32 I CA -0.286 61.085 61.300 0.120 0.000 1.310 32 I CB 1.110 39.142 38.000 0.053 0.000 1.404 32 I HN 0.352 nan 8.210 nan 0.000 0.496 33 Q N 3.469 123.398 119.800 0.214 0.000 2.552 33 Q HA 0.411 4.751 4.340 0.001 0.000 0.289 33 Q C -1.100 174.991 176.000 0.151 0.000 1.097 33 Q CA -0.885 55.121 55.803 0.339 0.000 0.812 33 Q CB 2.161 31.070 28.738 0.284 0.000 1.460 33 Q HN 0.494 nan 8.270 nan 0.000 0.452 34 D N 0.043 120.556 120.400 0.189 0.000 2.778 34 D HA -0.123 4.517 4.640 0.001 0.000 0.246 34 D C -1.171 174.943 176.300 -0.310 0.000 1.107 34 D CA 0.467 54.462 54.000 -0.010 0.000 0.732 34 D CB -1.377 39.431 40.800 0.014 0.000 1.055 34 D HN 0.433 nan 8.370 nan 0.000 0.429 35 C N 0.691 119.486 119.300 -0.843 0.000 2.493 35 C HA 0.799 5.260 4.460 0.001 0.000 0.326 35 C C 0.594 174.909 174.990 -1.126 0.000 1.200 35 C CA -0.715 57.643 59.018 -1.099 0.000 1.739 35 C CB 1.993 28.825 27.740 -1.514 0.000 2.300 35 C HN 0.417 nan 8.230 nan 0.000 0.500 36 L N 2.294 123.108 121.223 -0.681 0.000 2.385 36 L HA 0.663 5.003 4.340 0.001 0.000 0.273 36 L C -1.036 175.608 176.870 -0.377 0.000 0.990 36 L CA -0.376 54.173 54.840 -0.484 0.000 0.821 36 L CB 1.789 43.555 42.059 -0.489 0.000 1.279 36 L HN 0.460 nan 8.230 nan 0.000 0.412 37 V N 5.727 125.496 119.914 -0.241 0.000 2.311 37 V HA 0.330 4.451 4.120 0.001 0.000 0.275 37 V C 0.020 176.044 176.094 -0.116 0.000 1.022 37 V CA -0.438 61.761 62.300 -0.168 0.000 0.830 37 V CB 1.254 33.018 31.823 -0.098 0.000 1.012 37 V HN 0.504 nan 8.190 nan 0.000 0.452 38 L N 4.428 125.569 121.223 -0.138 0.000 2.255 38 L HA 0.604 4.944 4.340 0.001 0.000 0.289 38 L C -0.015 176.809 176.870 -0.078 0.000 1.046 38 L CA -0.238 54.538 54.840 -0.106 0.000 0.816 38 L CB 1.114 43.098 42.059 -0.125 0.000 1.197 38 L HN 0.600 nan 8.230 nan 0.000 0.427 39 E N 2.346 122.509 120.200 -0.062 0.000 2.176 39 E HA 0.502 4.853 4.350 0.001 0.000 0.267 39 E C 0.331 176.851 176.600 -0.133 0.000 0.893 39 E CA -0.271 56.078 56.400 -0.084 0.000 0.761 39 E CB 2.056 31.731 29.700 -0.042 0.000 1.133 39 E HN 0.544 nan 8.360 nan 0.000 0.409 40 A N 5.460 128.124 122.820 -0.260 0.000 1.858 40 A HA -0.068 4.252 4.320 0.001 0.000 0.216 40 A C 1.110 178.493 177.584 -0.335 0.000 1.190 40 A CA 1.039 52.831 52.037 -0.409 0.000 0.617 40 A CB -0.338 18.079 19.000 -0.971 0.000 0.827 40 A HN 0.647 nan 8.150 nan 0.000 0.443 41 R N -0.027 120.272 120.500 -0.335 0.000 2.822 41 R HA 0.154 4.494 4.340 0.001 0.000 0.277 41 R C 0.047 176.331 176.300 -0.027 0.000 1.102 41 R CA 0.441 56.483 56.100 -0.097 0.000 1.207 41 R CB 0.016 30.304 30.300 -0.020 0.000 1.139 41 R HN 0.591 nan 8.270 nan 0.000 0.557 42 D N -0.156 120.255 120.400 0.018 0.000 2.370 42 D HA 0.018 4.659 4.640 0.001 0.000 0.230 42 D C 0.013 176.328 176.300 0.025 0.000 1.143 42 D CA -0.138 53.875 54.000 0.022 0.000 0.834 42 D CB 0.023 40.840 40.800 0.029 0.000 0.944 42 D HN 0.439 nan 8.370 nan 0.000 0.504 43 R N -1.462 119.054 120.500 0.027 0.000 2.766 43 R HA 0.642 4.983 4.340 0.001 0.000 0.270 43 R C -0.933 175.395 176.300 0.047 0.000 1.035 43 R CA -1.118 55.005 56.100 0.039 0.000 0.911 43 R CB 0.990 31.317 30.300 0.045 0.000 1.243 43 R HN -0.073 nan 8.270 nan 0.000 0.460 44 V N -2.428 117.523 119.914 0.062 0.000 3.211 44 V HA 0.874 4.994 4.120 0.001 0.000 0.319 44 V C 0.854 177.001 176.094 0.087 0.000 1.096 44 V CA 0.226 62.573 62.300 0.080 0.000 1.029 44 V CB 0.870 32.753 31.823 0.100 0.000 1.137 44 V HN 1.221 nan 8.190 nan 0.000 0.453 45 G N -1.027 107.831 108.800 0.097 0.000 2.238 45 G HA2 0.101 4.062 3.960 0.001 0.000 0.217 45 G HA3 0.101 4.062 3.960 0.001 0.000 0.217 45 G C 1.544 176.498 174.900 0.091 0.000 0.996 45 G CA 0.619 45.777 45.100 0.097 0.000 0.632 45 G HN 2.602 nan 8.290 nan 0.000 0.503 46 G N 0.565 109.425 108.800 0.100 0.000 2.684 46 G HA2 -0.401 3.559 3.960 0.001 0.000 0.332 46 G HA3 -0.401 3.559 3.960 0.001 0.000 0.332 46 G C 0.835 175.814 174.900 0.131 0.000 1.306 46 G CA 1.348 46.512 45.100 0.106 0.000 1.002 46 G HN 1.175 nan 8.290 nan 0.000 0.545 47 R N -0.075 120.406 120.500 -0.031 0.000 2.346 47 R HA 0.284 4.625 4.340 0.001 0.000 0.208 47 R C 0.257 176.391 176.300 -0.277 0.000 1.052 47 R CA 0.081 55.968 56.100 -0.354 0.000 1.116 47 R CB -0.348 29.657 30.300 -0.492 0.000 1.003 47 R HN 0.289 nan 8.270 nan 0.000 0.482 48 L N 1.266 122.454 121.223 -0.060 0.000 2.353 48 L HA 0.315 4.656 4.340 0.001 0.000 0.270 48 L C -0.670 176.249 176.870 0.082 0.000 1.003 48 L CA -0.344 54.453 54.840 -0.071 0.000 0.862 48 L CB 1.463 43.454 42.059 -0.113 0.000 1.221 48 L HN 0.059 nan 8.230 nan 0.000 0.430 49 Q N 2.289 122.182 119.800 0.155 0.000 2.285 49 Q HA 0.472 4.813 4.340 0.001 0.000 0.269 49 Q C -1.386 174.692 176.000 0.128 0.000 1.030 49 Q CA -0.525 55.380 55.803 0.169 0.000 0.788 49 Q CB 2.537 31.421 28.738 0.243 0.000 1.266 49 Q HN 0.426 nan 8.270 nan 0.000 0.438 50 T N 3.159 117.766 114.554 0.088 0.000 2.771 50 T HA 0.530 4.880 4.350 0.001 0.000 0.281 50 T C -0.385 174.351 174.700 0.060 0.000 0.982 50 T CA -0.520 61.621 62.100 0.070 0.000 0.978 50 T CB 1.095 69.986 68.868 0.038 0.000 0.930 50 T HN 0.493 nan 8.240 nan 0.000 0.447 51 V N 1.080 121.041 119.914 0.079 0.000 2.960 51 V HA 0.862 4.982 4.120 0.001 0.000 0.315 51 V C -0.233 175.904 176.094 0.072 0.000 1.087 51 V CA -0.741 61.600 62.300 0.069 0.000 0.982 51 V CB 2.028 33.894 31.823 0.071 0.000 1.039 51 V HN 0.764 nan 8.190 nan 0.000 0.437 52 T N 2.488 117.071 114.554 0.048 0.000 2.895 52 T HA 0.839 5.189 4.350 0.001 0.000 0.283 52 T C 0.376 175.128 174.700 0.086 0.000 1.014 52 T CA 0.361 62.481 62.100 0.034 0.000 1.037 52 T CB 1.464 70.332 68.868 0.000 0.000 1.006 52 T HN 1.347 nan 8.240 nan 0.000 0.468 53 G N 0.252 109.126 108.800 0.124 0.000 3.291 53 G HA2 0.430 4.390 3.960 0.001 0.000 0.173 53 G HA3 0.430 4.390 3.960 0.001 0.000 0.173 53 G C -1.014 173.991 174.900 0.176 0.000 1.099 53 G CA -0.637 44.566 45.100 0.172 0.000 0.794 53 G HN 0.591 nan 8.290 nan 0.000 0.651 54 Y N 1.762 122.106 120.300 0.074 0.000 2.811 54 Y HA 0.091 4.641 4.550 0.001 0.000 0.334 54 Y C 1.571 177.498 175.900 0.044 0.000 1.247 54 Y CA 1.507 59.636 58.100 0.049 0.000 1.526 54 Y CB 0.161 38.653 38.460 0.052 0.000 1.284 54 Y HN 0.720 nan 8.280 nan 0.000 0.586 55 Q N 3.402 122.953 119.800 -0.416 0.000 2.426 55 Q HA -0.312 4.028 4.340 0.001 0.000 0.254 55 Q C 1.097 176.995 176.000 -0.170 0.000 1.017 55 Q CA 1.010 56.579 55.803 -0.389 0.000 1.083 55 Q CB -1.925 26.489 28.738 -0.540 0.000 1.552 55 Q HN 1.372 nan 8.270 nan 0.000 0.532 56 G N -0.227 108.519 108.800 -0.090 0.000 2.176 56 G HA2 -0.348 3.612 3.960 0.001 0.000 0.253 56 G HA3 -0.348 3.612 3.960 0.001 0.000 0.253 56 G C 0.138 174.987 174.900 -0.086 0.000 0.979 56 G CA 0.189 45.248 45.100 -0.069 0.000 0.641 56 G HN 0.334 nan 8.290 nan 0.000 0.530 57 R N 0.474 120.920 120.500 -0.089 0.000 2.698 57 R HA 0.405 4.746 4.340 0.001 0.000 0.266 57 R C 0.325 176.401 176.300 -0.374 0.000 1.026 57 R CA 0.634 56.604 56.100 -0.216 0.000 1.102 57 R CB 0.320 30.523 30.300 -0.161 0.000 0.978 57 R HN 0.339 nan 8.270 nan 0.000 0.436 58 K N 2.065 122.139 120.400 -0.543 0.000 2.318 58 K HA 0.422 4.742 4.320 0.001 0.000 0.249 58 K C -1.319 174.881 176.600 -0.667 0.000 0.942 58 K CA -0.661 55.362 56.287 -0.440 0.000 0.808 58 K CB 1.867 34.248 32.500 -0.198 0.000 1.189 58 K HN 0.400 nan 8.250 nan 0.000 0.428 59 Y N -0.108 120.213 120.300 0.035 0.000 2.504 59 Y HA 0.166 4.716 4.550 0.001 0.000 0.344 59 Y C -0.669 175.241 175.900 0.017 0.000 1.023 59 Y CA -1.228 56.896 58.100 0.040 0.000 1.020 59 Y CB 1.750 40.242 38.460 0.054 0.000 1.282 59 Y HN 0.473 nan 8.280 nan 0.000 0.454 60 D N 2.918 123.404 120.400 0.144 0.000 2.483 60 D HA 0.097 4.737 4.640 0.001 0.000 0.220 60 D C 0.874 177.239 176.300 0.108 0.000 1.173 60 D CA 0.197 54.238 54.000 0.070 0.000 0.964 60 D CB 1.004 41.781 40.800 -0.038 0.000 1.046 60 D HN 0.531 nan 8.370 nan 0.000 0.517 61 I N 1.584 122.252 120.570 0.164 0.000 3.010 61 I HA -0.070 4.100 4.170 0.001 0.000 0.271 61 I C 1.366 177.698 176.117 0.360 0.000 1.293 61 I CA 0.737 62.158 61.300 0.203 0.000 1.452 61 I CB 0.020 38.108 38.000 0.146 0.000 1.082 61 I HN 0.312 nan 8.210 nan 0.000 0.484 62 G N -0.955 108.000 108.800 0.257 0.000 3.310 62 G HA2 0.583 4.543 3.960 0.001 0.000 0.176 62 G HA3 0.583 4.543 3.960 0.001 0.000 0.176 62 G C -0.295 174.553 174.900 -0.087 0.000 1.307 62 G CA 0.012 45.170 45.100 0.098 0.000 0.935 62 G HN 0.363 nan 8.290 nan 0.000 0.628 63 A N -0.499 122.156 122.820 -0.275 0.000 2.511 63 A HA 0.508 4.828 4.320 0.001 0.000 0.242 63 A C 1.005 178.393 177.584 -0.326 0.000 1.069 63 A CA 0.877 52.691 52.037 -0.372 0.000 0.763 63 A CB 0.585 19.156 19.000 -0.714 0.000 1.001 63 A HN 0.493 nan 8.150 nan 0.000 0.498 64 S N 1.068 116.643 115.700 -0.209 0.000 2.670 64 S HA 0.178 4.649 4.470 0.001 0.000 0.241 64 S C 0.071 174.388 174.600 -0.473 0.000 1.077 64 S CA -0.219 57.729 58.200 -0.419 0.000 0.899 64 S CB 0.127 62.889 63.200 -0.730 0.000 0.835 64 S HN 0.761 nan 8.310 nan 0.000 0.481 65 W N 2.086 123.345 121.300 -0.068 0.000 2.639 65 W HA 0.465 5.126 4.660 0.001 0.000 0.347 65 W C -0.391 175.901 176.519 -0.377 0.000 1.067 65 W CA -0.585 56.619 57.345 -0.236 0.000 1.218 65 W CB 0.340 29.616 29.460 -0.307 0.000 1.393 65 W HN 0.122 nan 8.180 nan 0.000 0.557 66 H N 2.328 121.377 119.070 -0.035 0.000 2.640 66 H HA 0.211 4.767 4.556 0.001 0.000 0.297 66 H C 0.277 175.475 175.328 -0.218 0.000 1.073 66 H CA 0.107 56.081 56.048 -0.122 0.000 1.305 66 H CB 0.495 30.125 29.762 -0.221 0.000 1.404 66 H HN 0.193 nan 8.280 nan 0.000 0.459 67 H N 1.768 120.958 119.070 0.200 0.000 2.517 67 H HA 0.047 4.603 4.556 0.001 0.000 0.346 67 H C 0.359 175.659 175.328 -0.046 0.000 1.222 67 H CA -0.450 55.662 56.048 0.106 0.000 1.314 67 H CB 0.915 30.814 29.762 0.228 0.000 1.609 67 H HN 0.618 nan 8.280 nan 0.000 0.571 68 D N 0.367 120.790 120.400 0.038 0.000 2.686 68 D HA -0.165 4.475 4.640 0.001 0.000 0.235 68 D C 1.220 177.384 176.300 -0.227 0.000 1.160 68 D CA 1.157 55.099 54.000 -0.097 0.000 0.645 68 D CB -1.706 39.080 40.800 -0.023 0.000 1.039 68 D HN 0.785 nan 8.370 nan 0.000 0.423 69 T N -3.083 111.288 114.554 -0.306 0.000 2.969 69 T HA -0.145 4.205 4.350 0.001 0.000 0.271 69 T C 2.000 176.599 174.700 -0.168 0.000 1.127 69 T CA 0.672 62.480 62.100 -0.487 0.000 1.102 69 T CB -0.062 68.316 68.868 -0.815 0.000 0.855 69 T HN 0.460 nan 8.240 nan 0.000 0.536 70 L N 1.227 122.392 121.223 -0.097 0.000 2.240 70 L HA 0.097 4.437 4.340 0.001 0.000 0.211 70 L C 2.663 179.521 176.870 -0.021 0.000 1.106 70 L CA 1.455 56.281 54.840 -0.023 0.000 0.793 70 L CB -0.252 41.797 42.059 -0.016 0.000 0.927 70 L HN 0.564 nan 8.230 nan 0.000 0.446 71 T N -6.057 108.454 114.554 -0.071 0.000 3.087 71 T HA 0.045 4.396 4.350 0.001 0.000 0.283 71 T C 0.464 175.066 174.700 -0.163 0.000 0.956 71 T CA -0.436 61.624 62.100 -0.067 0.000 0.894 71 T CB -0.541 68.310 68.868 -0.029 0.000 1.160 71 T HN 0.130 nan 8.240 nan 0.000 0.532 72 N N 3.468 121.987 118.700 -0.302 0.000 2.399 72 N HA 0.147 4.888 4.740 0.001 0.000 0.259 72 N C -1.090 174.283 175.510 -0.228 0.000 1.160 72 N CA -1.797 50.917 53.050 -0.560 0.000 0.946 72 N CB 1.234 39.327 38.487 -0.658 0.000 1.156 72 N HN 0.061 nan 8.380 nan 0.000 0.489 73 P HA -0.219 nan 4.420 nan 0.000 0.216 73 P C 1.452 178.611 177.300 -0.234 0.000 1.153 73 P CA 0.822 63.924 63.100 0.004 0.000 0.858 73 P CB 0.228 32.110 31.700 0.304 0.000 0.789 74 L N -1.084 119.840 121.223 -0.497 0.000 2.046 74 L HA -0.113 4.227 4.340 0.001 0.000 0.208 74 L C 2.604 179.168 176.870 -0.510 0.000 1.077 74 L CA 1.663 55.990 54.840 -0.855 0.000 0.747 74 L CB -1.629 39.934 42.059 -0.827 0.000 0.896 74 L HN -0.190 nan 8.230 nan 0.000 0.432 75 F N -0.252 119.359 119.950 -0.565 0.000 2.069 75 F HA -0.245 4.283 4.527 0.001 0.000 0.298 75 F C 2.107 177.642 175.800 -0.442 0.000 1.113 75 F CA 1.922 59.485 58.000 -0.728 0.000 1.214 75 F CB -0.511 38.084 39.000 -0.675 0.000 0.978 75 F HN 0.039 nan 8.300 nan 0.000 0.474 76 L N 0.140 121.150 121.223 -0.354 0.000 2.013 76 L HA -0.283 4.057 4.340 0.001 0.000 0.212 76 L C 2.545 179.235 176.870 -0.301 0.000 1.073 76 L CA 2.137 56.795 54.840 -0.303 0.000 0.753 76 L CB -0.993 41.008 42.059 -0.097 0.000 0.890 76 L HN 0.288 nan 8.230 nan 0.000 0.432 77 E N 0.041 120.087 120.200 -0.257 0.000 2.058 77 E HA -0.238 4.112 4.350 0.001 0.000 0.194 77 E C 2.094 178.574 176.600 -0.200 0.000 0.997 77 E CA 1.193 57.488 56.400 -0.174 0.000 0.801 77 E CB 0.131 29.743 29.700 -0.147 0.000 0.746 77 E HN 0.361 nan 8.360 nan 0.000 0.450 78 E N -0.043 119.979 120.200 -0.297 0.000 2.204 78 E HA -0.177 4.173 4.350 0.001 0.000 0.195 78 E C 1.849 178.367 176.600 -0.138 0.000 0.990 78 E CA 0.852 57.130 56.400 -0.204 0.000 0.821 78 E CB -0.104 29.468 29.700 -0.214 0.000 0.750 78 E HN 0.370 nan 8.360 nan 0.000 0.477 79 A N 1.330 123.967 122.820 -0.305 0.000 1.855 79 A HA -0.194 4.127 4.320 0.001 0.000 0.215 79 A C 2.145 179.676 177.584 -0.089 0.000 1.191 79 A CA 1.058 52.984 52.037 -0.185 0.000 0.613 79 A CB -0.299 18.459 19.000 -0.404 0.000 0.829 79 A HN 0.077 nan 8.150 nan 0.000 0.442 80 Q N 0.083 119.820 119.800 -0.106 0.000 2.014 80 Q HA -0.193 4.147 4.340 0.001 0.000 0.207 80 Q C 2.250 178.218 176.000 -0.052 0.000 0.993 80 Q CA 1.703 57.470 55.803 -0.060 0.000 0.850 80 Q CB -0.853 27.856 28.738 -0.048 0.000 0.916 80 Q HN 0.712 nan 8.270 nan 0.000 0.417 81 L N 0.304 121.491 121.223 -0.060 0.000 1.991 81 L HA -0.280 4.060 4.340 0.001 0.000 0.221 81 L C 2.493 179.323 176.870 -0.068 0.000 1.079 81 L CA 1.699 56.505 54.840 -0.056 0.000 0.778 81 L CB -0.808 41.215 42.059 -0.061 0.000 0.893 81 L HN 0.153 nan 8.230 nan 0.000 0.437 82 S N -0.307 115.338 115.700 -0.092 0.000 2.419 82 S HA -0.175 4.295 4.470 0.001 0.000 0.235 82 S C 1.764 176.316 174.600 -0.080 0.000 1.019 82 S CA 1.260 59.385 58.200 -0.125 0.000 0.982 82 S CB -0.289 62.772 63.200 -0.232 0.000 0.789 82 S HN 0.254 nan 8.310 nan 0.000 0.490 83 L N 1.986 123.181 121.223 -0.048 0.000 2.240 83 L HA 0.099 4.439 4.340 0.001 0.000 0.211 83 L C 1.537 178.390 176.870 -0.029 0.000 1.106 83 L CA 1.363 56.187 54.840 -0.027 0.000 0.793 83 L CB -0.444 41.607 42.059 -0.013 0.000 0.927 83 L HN 0.149 nan 8.230 nan 0.000 0.446 84 N N 0.160 118.840 118.700 -0.034 0.000 2.290 84 N HA -0.086 4.655 4.740 0.001 0.000 0.179 84 N C 0.570 176.061 175.510 -0.032 0.000 1.016 84 N CA 1.396 54.428 53.050 -0.029 0.000 0.871 84 N CB -0.086 38.386 38.487 -0.026 0.000 0.987 84 N HN 0.648 nan 8.380 nan 0.000 0.431 85 D N -1.967 118.407 120.400 -0.042 0.000 2.535 85 D HA 0.239 4.879 4.640 0.001 0.000 0.229 85 D C 0.911 177.181 176.300 -0.051 0.000 1.238 85 D CA -0.186 53.788 54.000 -0.043 0.000 0.824 85 D CB -0.080 40.694 40.800 -0.044 0.000 1.045 85 D HN 0.075 nan 8.370 nan 0.000 0.500 86 G N -0.347 108.421 108.800 -0.055 0.000 2.244 86 G HA2 -0.310 3.650 3.960 0.001 0.000 0.274 86 G HA3 -0.310 3.650 3.960 0.001 0.000 0.274 86 G C 0.603 175.456 174.900 -0.078 0.000 1.002 86 G CA 0.536 45.601 45.100 -0.059 0.000 0.740 86 G HN 0.821 nan 8.290 nan 0.000 0.516 87 R N 0.040 120.483 120.500 -0.095 0.000 2.254 87 R HA 0.726 5.066 4.340 0.001 0.000 0.318 87 R C 0.584 176.781 176.300 -0.171 0.000 1.031 87 R CA 0.458 56.492 56.100 -0.109 0.000 0.905 87 R CB 0.247 nan 30.300 nan 0.000 1.050 87 R HN 0.472 nan 8.270 nan 0.000 0.456 88 T N 2.191 116.644 114.554 -0.168 0.000 2.916 88 T HA 0.207 4.557 4.350 0.001 0.000 0.303 88 T C 0.928 175.468 174.700 -0.268 0.000 1.025 88 T CA 0.207 62.161 62.100 -0.243 0.000 1.142 88 T CB 0.497 69.276 68.868 -0.149 0.000 0.947 88 T HN 0.686 nan 8.240 nan 0.000 0.544 89 R N 0.733 120.965 120.500 -0.446 0.000 2.582 89 R HA 0.261 4.601 4.340 0.001 0.000 0.285 89 R C -0.615 175.617 176.300 -0.114 0.000 0.940 89 R CA 0.013 55.947 56.100 -0.278 0.000 1.072 89 R CB 0.779 30.941 30.300 -0.231 0.000 1.527 89 R HN 0.671 nan 8.270 nan 0.000 0.538 90 F N -2.578 117.386 119.950 0.023 0.000 2.817 90 F HA 0.653 5.181 4.527 0.001 0.000 0.317 90 F C -1.532 174.347 175.800 0.131 0.000 1.168 90 F CA -1.669 56.370 58.000 0.065 0.000 0.911 90 F CB 1.110 40.184 39.000 0.122 0.000 1.337 90 F HN -0.315 nan 8.300 nan 0.000 0.464 91 V N 1.330 121.560 119.914 0.526 0.000 2.817 91 V HA 0.587 4.707 4.120 0.001 0.000 0.303 91 V C -1.779 174.535 176.094 0.368 0.000 1.151 91 V CA -0.850 61.727 62.300 0.461 0.000 0.929 91 V CB 1.805 33.827 31.823 0.333 0.000 1.030 91 V HN 0.714 nan 8.190 nan 0.000 0.427 92 F N 6.087 126.238 119.950 0.334 0.000 2.462 92 F HA 0.331 4.859 4.527 0.001 0.000 0.360 92 F C 1.317 177.251 175.800 0.223 0.000 1.134 92 F CA -0.093 58.056 58.000 0.249 0.000 1.148 92 F CB 0.813 39.918 39.000 0.175 0.000 1.147 92 F HN 0.757 nan 8.300 nan 0.000 0.550 93 D N 0.381 120.983 120.400 0.337 0.000 2.368 93 D HA -0.020 4.620 4.640 0.001 0.000 0.218 93 D C -0.107 176.313 176.300 0.201 0.000 1.112 93 D CA -0.142 54.009 54.000 0.252 0.000 0.834 93 D CB -0.366 40.574 40.800 0.233 0.000 0.953 93 D HN 0.217 nan 8.370 nan 0.000 0.505 94 D N 0.944 121.486 120.400 0.236 0.000 2.423 94 D HA 0.236 4.876 4.640 0.001 0.000 0.238 94 D C -0.083 176.300 176.300 0.138 0.000 1.142 94 D CA 0.731 54.852 54.000 0.201 0.000 0.884 94 D CB 1.171 42.128 40.800 0.261 0.000 1.199 94 D HN 0.191 nan 8.370 nan 0.000 0.438 95 D N -0.022 120.433 120.400 0.091 0.000 2.665 95 D HA 0.106 4.746 4.640 0.001 0.000 0.287 95 D C -1.191 175.160 176.300 0.084 0.000 1.266 95 D CA -0.579 53.445 54.000 0.040 0.000 0.830 95 D CB 1.195 41.963 40.800 -0.053 0.000 1.356 95 D HN 0.075 nan 8.370 nan 0.000 0.437 96 N N 0.872 119.616 118.700 0.074 0.000 2.442 96 N HA 0.189 4.929 4.740 0.001 0.000 0.265 96 N C -0.321 175.267 175.510 0.130 0.000 1.138 96 N CA 0.058 53.201 53.050 0.156 0.000 0.956 96 N CB 0.088 38.625 38.487 0.083 0.000 1.067 96 N HN 0.188 nan 8.380 nan 0.000 0.474 97 F N 1.607 121.571 119.950 0.025 0.000 2.484 97 F HA 0.234 4.762 4.527 0.001 0.000 0.360 97 F C 1.213 176.968 175.800 -0.074 0.000 1.101 97 F CA -0.236 57.718 58.000 -0.077 0.000 1.251 97 F CB 0.401 39.285 39.000 -0.194 0.000 1.132 97 F HN 0.211 nan 8.300 nan 0.000 0.570 98 I N 4.701 125.237 120.570 -0.057 0.000 2.312 98 I HA 0.182 4.352 4.170 0.001 0.000 0.290 98 I C -0.952 175.118 176.117 -0.078 0.000 1.008 98 I CA -0.700 60.599 61.300 -0.002 0.000 1.226 98 I CB 0.647 38.620 38.000 -0.045 0.000 1.371 98 I HN 0.423 nan 8.210 nan 0.000 0.468 99 Y N 6.659 127.044 120.300 0.141 0.000 2.330 99 Y HA 0.554 5.104 4.550 0.001 0.000 0.336 99 Y C 0.110 176.072 175.900 0.102 0.000 1.036 99 Y CA -0.501 57.689 58.100 0.151 0.000 1.125 99 Y CB 1.452 40.002 38.460 0.150 0.000 1.194 99 Y HN 0.356 nan 8.280 nan 0.000 0.469 100 I N 3.638 124.355 120.570 0.245 0.000 2.436 100 I HA 0.211 4.381 4.170 0.001 0.000 0.289 100 I C -0.860 175.404 176.117 0.245 0.000 1.010 100 I CA -0.687 60.727 61.300 0.189 0.000 1.098 100 I CB 1.593 39.682 38.000 0.147 0.000 1.266 100 I HN 0.577 nan 8.210 nan 0.000 0.434 101 D N 6.475 126.949 120.400 0.124 0.000 2.256 101 D HA 0.077 4.717 4.640 0.001 0.000 0.240 101 D C 0.931 177.175 176.300 -0.093 0.000 1.062 101 D CA -0.240 53.800 54.000 0.066 0.000 0.832 101 D CB 1.811 42.597 40.800 -0.023 0.000 1.135 101 D HN 0.768 nan 8.370 nan 0.000 0.484 102 E N 3.282 123.215 120.200 -0.445 0.000 2.113 102 E HA -0.337 4.014 4.350 0.001 0.000 0.210 102 E C 1.309 177.685 176.600 -0.373 0.000 1.040 102 E CA 2.087 58.000 56.400 -0.811 0.000 0.847 102 E CB 0.102 28.671 29.700 -1.884 0.000 0.755 102 E HN 0.718 nan 8.360 nan 0.000 0.459 103 E N -0.330 119.701 120.200 -0.281 0.000 2.122 103 E HA -0.142 4.208 4.350 0.001 0.000 0.190 103 E C 2.266 178.817 176.600 -0.082 0.000 0.977 103 E CA 0.611 56.921 56.400 -0.150 0.000 0.820 103 E CB -0.018 29.620 29.700 -0.103 0.000 0.770 103 E HN 0.156 nan 8.360 nan 0.000 0.462 104 R N -0.491 119.962 120.500 -0.079 0.000 2.265 104 R HA 0.153 4.493 4.340 0.001 0.000 0.194 104 R C 0.757 177.013 176.300 -0.072 0.000 0.931 104 R CA 0.848 56.900 56.100 -0.080 0.000 1.032 104 R CB 0.397 30.608 30.300 -0.149 0.000 0.980 104 R HN 0.293 nan 8.270 nan 0.000 0.497 105 G N 0.862 109.628 108.800 -0.057 0.000 2.481 105 G HA2 -0.283 3.678 3.960 0.001 0.000 0.230 105 G HA3 -0.283 3.678 3.960 0.001 0.000 0.230 105 G C -1.070 173.828 174.900 -0.004 0.000 1.210 105 G CA -0.304 44.785 45.100 -0.018 0.000 0.936 105 G HN 0.309 nan 8.290 nan 0.000 0.583 106 R N 0.103 120.610 120.500 0.013 0.000 2.543 106 R HA 0.414 4.754 4.340 0.001 0.000 0.277 106 R C 1.187 177.497 176.300 0.015 0.000 1.074 106 R CA 0.517 56.644 56.100 0.044 0.000 1.076 106 R CB 1.030 31.363 30.300 0.055 0.000 0.993 106 R HN 1.266 nan 8.270 nan 0.000 0.459 107 V N -2.498 117.449 119.914 0.054 0.000 3.337 107 V HA 0.079 4.200 4.120 0.001 0.000 0.307 107 V C 0.063 176.195 176.094 0.062 0.000 1.505 107 V CA -0.483 61.812 62.300 -0.010 0.000 1.072 107 V CB 0.087 31.831 31.823 -0.133 0.000 0.929 107 V HN 0.730 nan 8.190 nan 0.000 0.455 108 D N 0.470 120.973 120.400 0.172 0.000 2.339 108 D HA 0.106 4.747 4.640 0.001 0.000 0.245 108 D C 0.622 177.054 176.300 0.221 0.000 1.115 108 D CA 0.229 54.373 54.000 0.240 0.000 0.917 108 D CB 0.478 41.502 40.800 0.373 0.000 1.192 108 D HN 0.500 nan 8.370 nan 0.000 0.428 109 H N -0.707 118.416 119.070 0.088 0.000 2.529 109 H HA -0.244 4.312 4.556 0.001 0.000 0.319 109 H C -0.863 174.491 175.328 0.043 0.000 1.072 109 H CA 1.009 57.094 56.048 0.062 0.000 1.126 109 H CB -1.085 28.720 29.762 0.071 0.000 1.474 109 H HN 0.439 nan 8.280 nan 0.000 0.406 110 D N 0.293 120.666 120.400 -0.046 0.000 2.277 110 D HA 0.211 4.851 4.640 0.001 0.000 0.249 110 D C 1.321 177.548 176.300 -0.122 0.000 1.134 110 D CA 0.609 54.568 54.000 -0.070 0.000 0.863 110 D CB 0.896 41.680 40.800 -0.027 0.000 1.143 110 D HN 0.660 nan 8.370 nan 0.000 0.458 111 K N 2.557 122.881 120.400 -0.127 0.000 2.442 111 K HA -0.096 4.225 4.320 0.001 0.000 0.198 111 K C 1.594 178.163 176.600 -0.052 0.000 1.044 111 K CA 1.971 58.193 56.287 -0.108 0.000 0.948 111 K CB -0.664 31.788 32.500 -0.081 0.000 0.762 111 K HN 0.712 nan 8.250 nan 0.000 0.472 112 E N -0.133 120.048 120.200 -0.031 0.000 2.332 112 E HA 0.334 4.684 4.350 0.001 0.000 0.202 112 E C 2.003 178.610 176.600 0.012 0.000 0.877 112 E CA 0.489 56.887 56.400 -0.005 0.000 0.979 112 E CB -0.140 29.563 29.700 0.006 0.000 0.969 112 E HN 0.404 nan 8.360 nan 0.000 0.495 113 L N -0.018 121.212 121.223 0.011 0.000 2.131 113 L HA 0.201 4.542 4.340 0.001 0.000 0.206 113 L C 0.866 177.754 176.870 0.031 0.000 1.087 113 L CA 0.552 55.414 54.840 0.037 0.000 0.767 113 L CB -0.277 41.801 42.059 0.031 0.000 0.917 113 L HN 0.319 nan 8.230 nan 0.000 0.441 114 L N 0.067 121.292 121.223 0.004 0.000 3.833 114 L HA -0.285 4.055 4.340 0.001 0.000 0.447 114 L C 1.357 178.239 176.870 0.019 0.000 1.213 114 L CA -0.216 54.626 54.840 0.003 0.000 0.801 114 L CB -1.768 40.296 42.059 0.008 0.000 1.676 114 L HN 0.316 nan 8.230 nan 0.000 0.883 115 L N -0.622 120.607 121.223 0.010 0.000 2.042 115 L HA -0.218 4.122 4.340 0.001 0.000 0.210 115 L C 2.366 179.227 176.870 -0.014 0.000 1.076 115 L CA 1.949 56.791 54.840 0.004 0.000 0.749 115 L CB -0.178 41.858 42.059 -0.038 0.000 0.893 115 L HN 0.428 nan 8.230 nan 0.000 0.432 116 E N 0.390 120.573 120.200 -0.027 0.000 2.118 116 E HA -0.203 4.147 4.350 0.001 0.000 0.195 116 E C 2.127 178.729 176.600 0.004 0.000 0.992 116 E CA 1.210 57.599 56.400 -0.019 0.000 0.804 116 E CB -0.228 29.478 29.700 0.011 0.000 0.741 116 E HN 0.448 nan 8.360 nan 0.000 0.458 117 I N 0.321 120.900 120.570 0.015 0.000 2.202 117 I HA -0.221 3.949 4.170 0.001 0.000 0.242 117 I C 2.293 178.425 176.117 0.025 0.000 1.091 117 I CA 1.080 62.391 61.300 0.019 0.000 1.368 117 I CB -0.359 37.654 38.000 0.022 0.000 1.058 117 I HN 0.109 nan 8.210 nan 0.000 0.410 118 V N -1.731 118.209 119.914 0.043 0.000 2.667 118 V HA -0.213 3.908 4.120 0.001 0.000 0.252 118 V C 2.025 178.122 176.094 0.005 0.000 1.065 118 V CA 2.034 64.376 62.300 0.069 0.000 1.083 118 V CB -0.805 31.099 31.823 0.134 0.000 0.692 118 V HN 0.361 nan 8.190 nan 0.000 0.468 119 D N 1.565 121.968 120.400 0.004 0.000 2.149 119 D HA -0.243 4.398 4.640 0.001 0.000 0.198 119 D C 1.968 178.251 176.300 -0.027 0.000 0.990 119 D CA 1.927 55.928 54.000 0.001 0.000 0.839 119 D CB -0.371 40.465 40.800 0.061 0.000 0.948 119 D HN 0.561 nan 8.370 nan 0.000 0.460 120 N N 0.239 118.924 118.700 -0.025 0.000 2.120 120 N HA -0.176 4.565 4.740 0.001 0.000 0.188 120 N C 1.647 177.113 175.510 -0.073 0.000 1.024 120 N CA 1.432 54.453 53.050 -0.049 0.000 0.852 120 N CB -0.154 38.314 38.487 -0.032 0.000 1.003 120 N HN 0.290 nan 8.380 nan 0.000 0.424 121 E N -0.644 119.530 120.200 -0.044 0.000 2.077 121 E HA -0.245 4.105 4.350 0.001 0.000 0.193 121 E C 1.871 178.425 176.600 -0.077 0.000 0.989 121 E CA 1.164 57.562 56.400 -0.004 0.000 0.800 121 E CB -0.129 29.627 29.700 0.094 0.000 0.746 121 E HN 0.370 nan 8.360 nan 0.000 0.452 122 M N 0.770 120.181 119.600 -0.316 0.000 2.108 122 M HA -0.192 4.288 4.480 0.001 0.000 0.261 122 M C 2.228 178.412 176.300 -0.192 0.000 1.066 122 M CA 2.390 57.356 55.300 -0.556 0.000 1.107 122 M CB -0.355 31.910 32.600 -0.558 0.000 1.356 122 M HN 0.138 nan 8.290 nan 0.000 0.406 123 S N -0.971 114.564 115.700 -0.276 0.000 2.402 123 S HA -0.087 4.383 4.470 0.001 0.000 0.229 123 S C 2.100 176.461 174.600 -0.398 0.000 1.021 123 S CA 0.823 58.630 58.200 -0.654 0.000 0.974 123 S CB -0.535 62.253 63.200 -0.686 0.000 0.800 123 S HN 0.448 nan 8.310 nan 0.000 0.484 124 K N 0.553 120.846 120.400 -0.178 0.000 2.155 124 K HA 0.125 4.445 4.320 0.001 0.000 0.203 124 K C 1.653 178.243 176.600 -0.016 0.000 1.052 124 K CA 0.669 56.901 56.287 -0.091 0.000 0.948 124 K CB -0.621 31.856 32.500 -0.038 0.000 0.728 124 K HN 0.550 nan 8.250 nan 0.000 0.448 125 F N 1.393 121.291 119.950 -0.087 0.000 2.146 125 F HA -0.160 4.368 4.527 0.001 0.000 0.298 125 F C 1.953 177.741 175.800 -0.020 0.000 1.096 125 F CA 1.389 59.389 58.000 -0.001 0.000 1.275 125 F CB -0.327 38.733 39.000 0.100 0.000 1.008 125 F HN -0.009 nan 8.300 nan 0.000 0.480 126 A N 0.193 122.964 122.820 -0.082 0.000 1.858 126 A HA -0.243 4.077 4.320 0.001 0.000 0.216 126 A C 2.249 179.811 177.584 -0.037 0.000 1.190 126 A CA 1.778 53.788 52.037 -0.044 0.000 0.617 126 A CB -1.254 17.839 19.000 0.155 0.000 0.827 126 A HN 0.549 nan 8.150 nan 0.000 0.443 127 E N -0.291 119.878 120.200 -0.051 0.000 2.086 127 E HA -0.238 4.112 4.350 0.001 0.000 0.200 127 E C 1.949 178.558 176.600 0.014 0.000 1.012 127 E CA 1.618 58.023 56.400 0.009 0.000 0.812 127 E CB -0.259 29.402 29.700 -0.065 0.000 0.743 127 E HN 0.625 nan 8.360 nan 0.000 0.453 128 L N 0.724 121.899 121.223 -0.080 0.000 2.056 128 L HA -0.171 4.169 4.340 0.001 0.000 0.207 128 L C 2.624 179.417 176.870 -0.130 0.000 1.078 128 L CA 0.961 55.766 54.840 -0.058 0.000 0.749 128 L CB -0.387 41.618 42.059 -0.090 0.000 0.901 128 L HN 0.109 nan 8.230 nan 0.000 0.433 129 E N 0.027 119.981 120.200 -0.410 0.000 2.130 129 E HA -0.200 4.151 4.350 0.001 0.000 0.196 129 E C 1.805 178.083 176.600 -0.536 0.000 0.998 129 E CA 1.618 57.646 56.400 -0.619 0.000 0.806 129 E CB -0.120 28.960 29.700 -1.033 0.000 0.738 129 E HN 0.526 nan 8.360 nan 0.000 0.459 130 F N -0.974 118.985 119.950 0.015 0.000 2.678 130 F HA 0.089 4.616 4.527 0.001 0.000 0.305 130 F C 0.912 176.788 175.800 0.127 0.000 1.090 130 F CA -0.578 57.466 58.000 0.073 0.000 1.272 130 F CB 0.124 39.160 39.000 0.061 0.000 1.060 130 F HN -0.080 nan 8.300 nan 0.000 0.576 131 H N 1.548 120.707 119.070 0.148 0.000 2.722 131 H HA 0.390 4.947 4.556 0.001 0.000 0.328 131 H C 0.596 175.920 175.328 -0.007 0.000 1.067 131 H CA 0.157 56.248 56.048 0.071 0.000 1.447 131 H CB 0.635 30.405 29.762 0.012 0.000 1.469 131 H HN 0.296 nan 8.280 nan 0.000 0.544 132 Q N 3.774 123.249 119.800 -0.541 0.000 2.423 132 Q HA -0.198 4.142 4.340 0.001 0.000 0.368 132 Q C -0.518 175.133 176.000 -0.583 0.000 1.371 132 Q CA 1.962 57.389 55.803 -0.626 0.000 1.106 132 Q CB -2.956 nan 28.738 nan 0.000 1.263 132 Q HN 0.997 nan 8.270 nan 0.000 0.325 133 H N -0.407 118.603 119.070 -0.101 0.000 3.664 133 H HA 0.222 4.778 4.556 0.001 0.000 0.265 133 H C 1.100 176.427 175.328 -0.000 0.000 1.147 133 H CA 0.261 56.279 56.048 -0.051 0.000 1.142 133 H CB 0.758 30.496 29.762 -0.041 0.000 1.870 133 H HN 0.769 nan 8.280 nan 0.000 0.820 134 L N -0.162 121.122 121.223 0.103 0.000 5.081 134 L HA -0.207 4.134 4.340 0.001 0.000 0.423 134 L C 1.155 178.095 176.870 0.116 0.000 1.019 134 L CA 1.507 56.396 54.840 0.083 0.000 1.223 134 L CB -2.207 39.891 42.059 0.065 0.000 1.940 134 L HN 0.638 nan 8.230 nan 0.000 0.675 135 G N -0.231 108.683 108.800 0.191 0.000 2.270 135 G HA2 -0.058 3.903 3.960 0.001 0.000 0.224 135 G HA3 -0.058 3.903 3.960 0.001 0.000 0.224 135 G C 0.372 175.418 174.900 0.243 0.000 1.079 135 G CA 0.476 45.740 45.100 0.273 0.000 0.807 135 G HN 1.426 nan 8.290 nan 0.000 0.492 136 V N -1.965 118.047 119.914 0.163 0.000 3.244 136 V HA 0.231 4.352 4.120 0.001 0.000 0.234 136 V C 1.040 177.181 176.094 0.079 0.000 0.952 136 V CA 1.248 63.581 62.300 0.054 0.000 1.108 136 V CB -1.376 30.376 31.823 -0.118 0.000 0.791 136 V HN 2.434 nan 8.190 nan 0.000 0.490 137 S N 2.352 118.111 115.700 0.099 0.000 3.312 137 S HA -0.152 4.318 4.470 0.001 0.000 0.667 137 S C -0.093 174.619 174.600 0.187 0.000 0.777 137 S CA 0.701 58.963 58.200 0.104 0.000 1.365 137 S CB -0.789 62.447 63.200 0.061 0.000 1.146 137 S HN 1.074 nan 8.310 nan 0.000 0.726 138 D N 3.622 124.130 120.400 0.181 0.000 2.264 138 D HA 0.591 5.231 4.640 0.001 0.000 0.249 138 D C 0.903 177.312 176.300 0.181 0.000 1.070 138 D CA 0.248 54.386 54.000 0.230 0.000 0.912 138 D CB 1.307 42.130 40.800 0.038 0.000 1.193 138 D HN 0.801 nan 8.370 nan 0.000 0.427 139 C N -0.723 118.717 119.300 0.234 0.000 3.205 139 C HA 0.759 5.219 4.460 0.001 0.000 0.372 139 C C 0.445 175.541 174.990 0.176 0.000 1.892 139 C CA -0.848 58.275 59.018 0.176 0.000 1.516 139 C CB 0.638 28.479 27.740 0.168 0.000 2.371 139 C HN 0.605 nan 8.230 nan 0.000 0.468 140 S N -0.100 115.697 115.700 0.162 0.000 2.632 140 S HA 0.423 4.893 4.470 0.001 0.000 0.271 140 S C 0.390 175.152 174.600 0.270 0.000 1.260 140 S CA -0.180 58.130 58.200 0.182 0.000 1.010 140 S CB 0.444 63.728 63.200 0.141 0.000 0.965 140 S HN 0.962 nan 8.310 nan 0.000 0.534 141 F N 1.898 121.924 119.950 0.126 0.000 2.120 141 F HA -0.087 4.441 4.527 0.001 0.000 0.300 141 F C 1.624 177.528 175.800 0.173 0.000 1.095 141 F CA 1.046 59.146 58.000 0.166 0.000 1.249 141 F CB -0.982 38.119 39.000 0.169 0.000 0.995 141 F HN 0.769 nan 8.300 nan 0.000 0.480 142 F N 1.363 121.221 119.950 -0.153 0.000 2.069 142 F HA -0.264 4.263 4.527 0.001 0.000 0.298 142 F C 2.481 178.060 175.800 -0.367 0.000 1.113 142 F CA 2.353 59.969 58.000 -0.640 0.000 1.214 142 F CB -0.972 37.460 39.000 -0.947 0.000 0.978 142 F HN 0.083 nan 8.300 nan 0.000 0.474 143 Q N -0.028 119.656 119.800 -0.193 0.000 2.077 143 Q HA -0.254 4.086 4.340 0.001 0.000 0.206 143 Q C 2.227 178.149 176.000 -0.130 0.000 0.989 143 Q CA 2.101 57.792 55.803 -0.188 0.000 0.853 143 Q CB -0.602 28.149 28.738 0.022 0.000 0.907 143 Q HN 0.541 nan 8.270 nan 0.000 0.418 144 L N 0.078 121.324 121.223 0.039 0.000 2.012 144 L HA -0.191 4.149 4.340 0.001 0.000 0.210 144 L C 2.153 179.097 176.870 0.123 0.000 1.073 144 L CA 1.446 56.400 54.840 0.190 0.000 0.748 144 L CB -0.443 41.853 42.059 0.394 0.000 0.891 144 L HN 0.017 nan 8.230 nan 0.000 0.431 145 V N -0.383 119.484 119.914 -0.078 0.000 2.332 145 V HA -0.347 3.774 4.120 0.001 0.000 0.248 145 V C 2.611 178.631 176.094 -0.124 0.000 1.055 145 V CA 1.976 64.214 62.300 -0.104 0.000 1.038 145 V CB -0.666 31.020 31.823 -0.228 0.000 0.651 145 V HN 0.450 nan 8.190 nan 0.000 0.450 146 M N -0.376 119.024 119.600 -0.334 0.000 2.159 146 M HA -0.154 4.327 4.480 0.001 0.000 0.263 146 M C 2.103 178.301 176.300 -0.170 0.000 1.063 146 M CA 1.651 56.768 55.300 -0.305 0.000 1.110 146 M CB -1.157 31.159 32.600 -0.474 0.000 1.374 146 M HN 0.367 nan 8.290 nan 0.000 0.411 147 K N -0.875 119.473 120.400 -0.088 0.000 2.026 147 K HA -0.208 4.112 4.320 0.001 0.000 0.208 147 K C 2.046 178.557 176.600 -0.148 0.000 1.048 147 K CA 1.546 57.821 56.287 -0.019 0.000 0.929 147 K CB -0.625 31.973 32.500 0.163 0.000 0.713 147 K HN 0.217 nan 8.250 nan 0.000 0.439 148 Y N 2.176 122.226 120.300 -0.417 0.000 2.081 148 Y HA -0.263 4.288 4.550 0.001 0.000 0.280 148 Y C 1.821 177.455 175.900 -0.445 0.000 1.163 148 Y CA 1.524 59.095 58.100 -0.881 0.000 1.135 148 Y CB -0.415 37.596 38.460 -0.748 0.000 0.970 148 Y HN -0.066 nan 8.280 nan 0.000 0.498 149 L N -0.842 120.174 121.223 -0.345 0.000 2.012 149 L HA -0.232 4.108 4.340 0.001 0.000 0.210 149 L C 2.464 179.132 176.870 -0.337 0.000 1.073 149 L CA 1.277 55.920 54.840 -0.327 0.000 0.748 149 L CB -0.846 41.136 42.059 -0.128 0.000 0.891 149 L HN 0.327 nan 8.230 nan 0.000 0.431 150 L N -0.065 120.996 121.223 -0.270 0.000 1.994 150 L HA -0.257 4.084 4.340 0.001 0.000 0.208 150 L C 2.640 179.373 176.870 -0.229 0.000 1.071 150 L CA 1.838 56.544 54.840 -0.224 0.000 0.745 150 L CB -0.677 41.282 42.059 -0.168 0.000 0.892 150 L HN 0.285 nan 8.230 nan 0.000 0.431 151 Q N -1.066 118.589 119.800 -0.243 0.000 2.167 151 Q HA -0.145 4.196 4.340 0.001 0.000 0.202 151 Q C 1.153 177.026 176.000 -0.211 0.000 0.970 151 Q CA 1.094 56.786 55.803 -0.186 0.000 0.855 151 Q CB 0.130 28.798 28.738 -0.117 0.000 0.911 151 Q HN 0.357 nan 8.270 nan 0.000 0.438 152 R N 0.244 120.517 120.500 -0.378 0.000 2.507 152 R HA 0.096 4.436 4.340 0.001 0.000 0.298 152 R C 1.593 177.706 176.300 -0.311 0.000 0.999 152 R CA 0.199 56.136 56.100 -0.273 0.000 1.082 152 R CB 0.129 30.135 30.300 -0.490 0.000 1.246 152 R HN 0.396 nan 8.270 nan 0.000 0.553 153 R N 0.450 120.743 120.500 -0.345 0.000 2.139 153 R HA -0.186 4.154 4.340 0.001 0.000 0.243 153 R C 1.769 177.836 176.300 -0.387 0.000 1.145 153 R CA 1.543 57.456 56.100 -0.312 0.000 0.976 153 R CB -0.442 29.698 30.300 -0.267 0.000 0.866 153 R HN 0.153 nan 8.270 nan 0.000 0.449 154 Q N 0.459 119.873 119.800 -0.644 0.000 2.291 154 Q HA -0.091 4.249 4.340 0.001 0.000 0.206 154 Q C 0.224 175.689 176.000 -0.891 0.000 0.976 154 Q CA 1.130 56.418 55.803 -0.858 0.000 0.875 154 Q CB 0.120 28.139 28.738 -1.200 0.000 0.927 154 Q HN 0.583 nan 8.270 nan 0.000 0.450 155 F N 0.042 119.936 119.950 -0.094 0.000 2.708 155 F HA 0.353 4.880 4.527 0.001 0.000 0.300 155 F C -0.452 175.316 175.800 -0.054 0.000 1.118 155 F CA -0.423 57.537 58.000 -0.066 0.000 1.307 155 F CB 0.617 39.579 39.000 -0.062 0.000 0.986 155 F HN -0.143 nan 8.300 nan 0.000 0.522 156 L N 0.454 121.672 121.223 -0.008 0.000 2.408 156 L HA 0.483 4.824 4.340 0.001 0.000 0.268 156 L C 0.502 177.366 176.870 -0.011 0.000 0.986 156 L CA -0.954 53.892 54.840 0.010 0.000 0.820 156 L CB 2.292 44.341 42.059 -0.017 0.000 1.303 156 L HN 0.109 nan 8.230 nan 0.000 0.411 157 T N -2.135 112.431 114.554 0.020 0.000 2.689 157 T HA 0.148 4.499 4.350 0.001 0.000 0.308 157 T C 0.934 175.640 174.700 0.010 0.000 1.021 157 T CA -0.438 61.670 62.100 0.014 0.000 0.973 157 T CB 0.634 69.523 68.868 0.036 0.000 1.113 157 T HN 0.508 nan 8.240 nan 0.000 0.522 158 N N 0.952 119.658 118.700 0.010 0.000 2.109 158 N HA -0.075 4.665 4.740 0.001 0.000 0.188 158 N C 1.549 177.072 175.510 0.021 0.000 1.034 158 N CA 1.260 54.312 53.050 0.003 0.000 0.846 158 N CB -0.694 37.792 38.487 -0.001 0.000 1.010 158 N HN 0.614 nan 8.380 nan 0.000 0.425 159 D N 1.334 121.772 120.400 0.062 0.000 2.149 159 D HA -0.132 4.509 4.640 0.001 0.000 0.198 159 D C 1.933 178.326 176.300 0.156 0.000 0.990 159 D CA 0.873 54.950 54.000 0.127 0.000 0.839 159 D CB -0.184 40.771 40.800 0.257 0.000 0.948 159 D HN 0.433 nan 8.370 nan 0.000 0.460 160 Q N 0.091 119.969 119.800 0.130 0.000 2.050 160 Q HA -0.092 4.248 4.340 0.001 0.000 0.202 160 Q C 2.511 178.588 176.000 0.128 0.000 0.980 160 Q CA 0.807 56.692 55.803 0.138 0.000 0.840 160 Q CB -0.094 28.710 28.738 0.110 0.000 0.898 160 Q HN 0.347 nan 8.270 nan 0.000 0.424 161 I N 0.403 121.026 120.570 0.088 0.000 2.361 161 I HA -0.282 3.888 4.170 0.001 0.000 0.251 161 I C 2.636 178.865 176.117 0.187 0.000 1.133 161 I CA 1.049 62.413 61.300 0.107 0.000 1.413 161 I CB -0.221 37.792 38.000 0.021 0.000 1.073 161 I HN 0.159 nan 8.210 nan 0.000 0.424 162 R N 0.444 120.983 120.500 0.065 0.000 2.052 162 R HA -0.132 4.209 4.340 0.001 0.000 0.226 162 R C 2.317 178.499 176.300 -0.196 0.000 1.145 162 R CA 1.544 57.594 56.100 -0.084 0.000 0.952 162 R CB -0.350 29.712 30.300 -0.397 0.000 0.847 162 R HN 0.243 nan 8.270 nan 0.000 0.431 163 Y N 0.396 120.747 120.300 0.085 0.000 2.365 163 Y HA -0.089 4.461 4.550 0.001 0.000 0.293 163 Y C 2.095 178.026 175.900 0.051 0.000 1.119 163 Y CA 0.303 58.435 58.100 0.053 0.000 1.203 163 Y CB -0.104 38.381 38.460 0.042 0.000 1.026 163 Y HN 0.143 nan 8.280 nan 0.000 0.549 164 L N 2.268 123.613 121.223 0.203 0.000 1.990 164 L HA -0.129 4.211 4.340 0.001 0.000 0.213 164 L C -0.654 176.295 176.870 0.132 0.000 1.072 164 L CA 1.952 56.881 54.840 0.149 0.000 0.755 164 L CB -1.743 40.410 42.059 0.157 0.000 0.889 164 L HN -0.024 nan 8.230 nan 0.000 0.432 165 P HA -0.199 nan 4.420 nan 0.000 0.218 165 P C 1.073 178.380 177.300 0.011 0.000 1.146 165 P CA 1.433 64.641 63.100 0.180 0.000 0.813 165 P CB -0.117 31.761 31.700 0.297 0.000 0.778 166 Q N -0.621 119.177 119.800 -0.003 0.000 2.212 166 Q HA 0.033 4.374 4.340 0.001 0.000 0.199 166 Q C 2.368 178.384 176.000 0.027 0.000 0.950 166 Q CA 0.558 56.319 55.803 -0.070 0.000 0.863 166 Q CB -0.985 27.774 28.738 0.035 0.000 0.944 166 Q HN 0.328 nan 8.270 nan 0.000 0.465 167 L N 0.845 122.121 121.223 0.089 0.000 2.072 167 L HA -0.134 4.207 4.340 0.001 0.000 0.205 167 L C 2.526 179.532 176.870 0.228 0.000 1.079 167 L CA 1.625 56.535 54.840 0.117 0.000 0.752 167 L CB -0.335 41.675 42.059 -0.081 0.000 0.906 167 L HN 0.359 nan 8.230 nan 0.000 0.436 168 C N -0.664 118.721 119.300 0.141 0.000 2.422 168 C HA -0.046 4.415 4.460 0.001 0.000 0.286 168 C C 2.490 177.442 174.990 -0.064 0.000 1.412 168 C CA 0.203 59.285 59.018 0.108 0.000 1.786 168 C CB -1.675 26.173 27.740 0.180 0.000 1.835 168 C HN 0.488 nan 8.230 nan 0.000 0.533 169 R N 0.398 120.895 120.500 -0.005 0.000 2.357 169 R HA -0.034 4.307 4.340 0.001 0.000 0.202 169 R C 1.831 178.146 176.300 0.024 0.000 1.047 169 R CA 1.305 57.393 56.100 -0.020 0.000 1.034 169 R CB -0.512 29.603 30.300 -0.308 0.000 0.875 169 R HN 0.936 nan 8.270 nan 0.000 0.473 170 Y N -0.947 119.488 120.300 0.224 0.000 2.298 170 Y HA -0.161 4.390 4.550 0.001 0.000 0.287 170 Y C 1.527 177.575 175.900 0.247 0.000 1.164 170 Y CA 0.744 58.987 58.100 0.238 0.000 1.229 170 Y CB -0.766 37.855 38.460 0.269 0.000 0.977 170 Y HN -0.041 nan 8.280 nan 0.000 0.538 171 L N 0.570 121.595 121.223 -0.330 0.000 2.450 171 L HA -0.162 4.178 4.340 0.001 0.000 0.224 171 L C 2.254 179.250 176.870 0.211 0.000 1.149 171 L CA 1.296 56.126 54.840 -0.017 0.000 0.816 171 L CB -0.542 41.262 42.059 -0.424 0.000 0.932 171 L HN 0.356 nan 8.230 nan 0.000 0.449 172 E N -0.200 120.098 120.200 0.163 0.000 2.204 172 E HA -0.166 4.184 4.350 0.001 0.000 0.194 172 E C 1.650 178.367 176.600 0.196 0.000 0.989 172 E CA 0.632 57.147 56.400 0.192 0.000 0.824 172 E CB 0.149 29.935 29.700 0.143 0.000 0.756 172 E HN 0.308 nan 8.360 nan 0.000 0.477 173 L N -1.019 120.305 121.223 0.168 0.000 2.599 173 L HA -0.033 4.307 4.340 0.001 0.000 0.230 173 L C 1.075 177.900 176.870 -0.074 0.000 1.141 173 L CA 0.953 55.827 54.840 0.056 0.000 0.877 173 L CB -0.966 41.088 42.059 -0.008 0.000 1.009 173 L HN 0.290 nan 8.230 nan 0.000 0.447 174 W N -1.243 120.062 121.300 0.009 0.000 2.640 174 W HA 0.069 4.730 4.660 0.001 0.000 0.271 174 W C 2.632 179.030 176.519 -0.202 0.000 1.218 174 W CA 0.359 57.604 57.345 -0.167 0.000 1.382 174 W CB 0.145 29.451 29.460 -0.256 0.000 1.067 174 W HN 0.183 nan 8.180 nan 0.000 0.590 175 H N -1.712 117.508 119.070 0.249 0.000 2.451 175 H HA 0.221 4.778 4.556 0.001 0.000 0.294 175 H C 1.825 177.233 175.328 0.132 0.000 1.028 175 H CA 1.434 57.607 56.048 0.208 0.000 1.349 175 H CB 0.222 30.064 29.762 0.134 0.000 1.444 175 H HN 0.130 nan 8.280 nan 0.000 0.538 176 G N 0.806 109.732 108.800 0.209 0.000 2.140 176 G HA2 -0.185 3.775 3.960 0.001 0.000 0.211 176 G HA3 -0.185 3.775 3.960 0.001 0.000 0.211 176 G C -0.632 174.323 174.900 0.092 0.000 1.013 176 G CA -0.067 45.080 45.100 0.078 0.000 0.705 176 G HN 0.109 nan 8.290 nan 0.000 0.508 177 L N 0.695 122.009 121.223 0.152 0.000 2.422 177 L HA 0.538 4.878 4.340 0.001 0.000 0.264 177 L C 0.067 177.026 176.870 0.149 0.000 0.984 177 L CA -1.323 53.597 54.840 0.134 0.000 0.819 177 L CB 1.817 43.971 42.059 0.159 0.000 1.330 177 L HN 0.288 nan 8.230 nan 0.000 0.410 178 D N 1.655 122.133 120.400 0.130 0.000 2.423 178 D HA -0.096 4.544 4.640 0.001 0.000 0.238 178 D C 0.638 177.138 176.300 0.333 0.000 1.142 178 D CA -0.203 53.914 54.000 0.195 0.000 0.884 178 D CB 1.025 41.916 40.800 0.151 0.000 1.199 178 D HN 0.637 nan 8.370 nan 0.000 0.438 179 W N 4.278 125.667 121.300 0.147 0.000 2.538 179 W HA -0.022 4.638 4.660 0.001 0.000 0.254 179 W C 0.718 177.344 176.519 0.180 0.000 1.249 179 W CA 0.101 57.594 57.345 0.248 0.000 1.253 179 W CB -0.861 28.768 29.460 0.282 0.000 1.130 179 W HN 0.376 nan 8.180 nan 0.000 0.618 180 K N 0.376 120.911 120.400 0.225 0.000 2.387 180 K HA 0.228 4.548 4.320 0.001 0.000 0.198 180 K C 1.253 177.839 176.600 -0.024 0.000 1.022 180 K CA 0.057 56.319 56.287 -0.041 0.000 1.128 180 K CB 0.177 32.543 32.500 -0.223 0.000 0.853 180 K HN 0.196 nan 8.250 nan 0.000 0.523 181 L N 0.252 121.480 121.223 0.007 0.000 3.039 181 L HA 0.233 4.574 4.340 0.001 0.000 0.269 181 L C -0.274 176.542 176.870 -0.089 0.000 1.169 181 L CA -0.304 54.444 54.840 -0.153 0.000 0.986 181 L CB 0.527 42.443 42.059 -0.238 0.000 1.377 181 L HN 0.041 nan 8.230 nan 0.000 0.575 182 L N 0.136 121.401 121.223 0.070 0.000 2.307 182 L HA 0.420 4.760 4.340 0.001 0.000 0.282 182 L C 0.533 177.452 176.870 0.081 0.000 1.051 182 L CA 0.091 54.980 54.840 0.081 0.000 0.804 182 L CB 1.706 43.791 42.059 0.043 0.000 1.197 182 L HN -0.108 nan 8.230 nan 0.000 0.431 183 S N 3.352 119.080 115.700 0.046 0.000 2.533 183 S HA 0.370 4.841 4.470 0.001 0.000 0.282 183 S C 1.282 175.861 174.600 -0.034 0.000 1.304 183 S CA 0.076 58.289 58.200 0.023 0.000 1.063 183 S CB 0.778 63.980 63.200 0.004 0.000 0.881 183 S HN 0.930 nan 8.310 nan 0.000 0.493 184 A N 5.454 128.297 122.820 0.039 0.000 1.897 184 A HA 0.081 4.401 4.320 0.001 0.000 0.215 184 A C 2.288 179.773 177.584 -0.164 0.000 1.181 184 A CA 1.694 53.795 52.037 0.106 0.000 0.620 184 A CB -1.345 17.878 19.000 0.372 0.000 0.821 184 A HN 1.053 nan 8.150 nan 0.000 0.443 185 K N -0.376 119.713 120.400 -0.517 0.000 2.280 185 K HA -0.147 4.173 4.320 0.001 0.000 0.202 185 K C 1.345 177.757 176.600 -0.314 0.000 1.047 185 K CA 1.947 57.750 56.287 -0.807 0.000 0.942 185 K CB -0.719 31.315 32.500 -0.778 0.000 0.739 185 K HN 0.594 nan 8.250 nan 0.000 0.457 186 D N -1.770 118.519 120.400 -0.185 0.000 2.431 186 D HA 0.096 4.737 4.640 0.001 0.000 0.213 186 D C 1.431 177.703 176.300 -0.047 0.000 1.130 186 D CA 0.468 54.428 54.000 -0.066 0.000 0.834 186 D CB 0.428 41.211 40.800 -0.028 0.000 0.985 186 D HN 0.303 nan 8.370 nan 0.000 0.504 187 T N -0.499 113.930 114.554 -0.208 0.000 2.643 187 T HA -0.113 4.237 4.350 0.001 0.000 0.264 187 T C 0.221 174.817 174.700 -0.173 0.000 1.045 187 T CA 1.070 62.919 62.100 -0.418 0.000 1.155 187 T CB -0.286 68.076 68.868 -0.844 0.000 0.863 187 T HN 0.151 nan 8.240 nan 0.000 0.420 188 Y N 2.317 122.590 120.300 -0.045 0.000 2.436 188 Y HA 0.409 4.959 4.550 0.001 0.000 0.343 188 Y C 0.148 175.986 175.900 -0.104 0.000 1.008 188 Y CA -1.585 56.417 58.100 -0.163 0.000 1.241 188 Y CB -0.190 38.175 38.460 -0.159 0.000 1.153 188 Y HN 0.190 nan 8.280 nan 0.000 0.521 189 F N -0.189 119.754 119.950 -0.012 0.000 2.525 189 F HA 0.889 5.416 4.527 0.001 0.000 0.346 189 F C 0.551 176.319 175.800 -0.053 0.000 1.072 189 F CA -2.079 55.889 58.000 -0.054 0.000 1.033 189 F CB 0.532 39.444 39.000 -0.148 0.000 1.324 189 F HN 0.430 nan 8.300 nan 0.000 0.491 190 G N -0.461 108.433 108.800 0.156 0.000 2.393 190 G HA2 0.222 4.182 3.960 0.001 0.000 0.311 190 G HA3 0.222 4.182 3.960 0.001 0.000 0.311 190 G C -1.436 173.555 174.900 0.151 0.000 1.067 190 G CA -0.390 44.755 45.100 0.075 0.000 1.000 190 G HN 0.869 nan 8.290 nan 0.000 0.422 191 H N 2.644 121.680 119.070 -0.055 0.000 3.330 191 H HA 0.112 4.669 4.556 0.001 0.000 0.260 191 H C 0.925 176.263 175.328 0.018 0.000 1.439 191 H CA -0.162 55.879 56.048 -0.011 0.000 1.540 191 H CB 0.563 30.257 29.762 -0.113 0.000 1.698 191 H HN 0.339 nan 8.280 nan 0.000 0.516 192 Q N 3.665 123.443 119.800 -0.036 0.000 2.380 192 Q HA 0.215 4.556 4.340 0.001 0.000 0.254 192 Q C 0.561 176.514 176.000 -0.078 0.000 0.927 192 Q CA 0.497 56.282 55.803 -0.030 0.000 0.950 192 Q CB -0.304 28.433 28.738 -0.001 0.000 1.206 192 Q HN 0.962 nan 8.270 nan 0.000 0.414 193 G N 0.033 108.770 108.800 -0.106 0.000 2.354 193 G HA2 -0.099 3.861 3.960 0.001 0.000 0.582 193 G HA3 -0.099 3.861 3.960 0.001 0.000 0.582 193 G C -1.028 173.814 174.900 -0.096 0.000 1.316 193 G CA -1.191 43.873 45.100 -0.061 0.000 0.995 193 G HN 0.255 nan 8.290 nan 0.000 0.573 194 R N 0.078 120.613 120.500 0.058 0.000 2.774 194 R HA 0.287 4.628 4.340 0.001 0.000 0.269 194 R C 0.378 176.726 176.300 0.080 0.000 1.068 194 R CA -0.326 55.879 56.100 0.176 0.000 1.180 194 R CB 0.263 30.763 30.300 0.332 0.000 1.077 194 R HN 0.569 nan 8.270 nan 0.000 0.513 195 N N -0.137 118.642 118.700 0.131 0.000 2.492 195 N HA 0.373 5.113 4.740 0.001 0.000 0.289 195 N C -1.160 174.265 175.510 -0.142 0.000 1.133 195 N CA -0.338 52.727 53.050 0.025 0.000 0.961 195 N CB 2.002 40.545 38.487 0.094 0.000 1.186 195 N HN 0.536 nan 8.380 nan 0.000 0.493 196 A N 1.627 124.308 122.820 -0.232 0.000 2.340 196 A HA 0.346 4.667 4.320 0.001 0.000 0.297 196 A C -0.928 176.754 177.584 0.163 0.000 1.195 196 A CA -0.652 51.164 52.037 -0.369 0.000 0.769 196 A CB 0.185 18.570 19.000 -1.024 0.000 1.163 196 A HN 0.570 nan 8.150 nan 0.000 0.472 197 F N 3.334 123.384 119.950 0.167 0.000 2.541 197 F HA 0.401 4.929 4.527 0.001 0.000 0.378 197 F C 0.871 176.662 175.800 -0.015 0.000 1.068 197 F CA -0.158 57.846 58.000 0.007 0.000 1.199 197 F CB 0.606 39.628 39.000 0.036 0.000 1.091 197 F HN 0.698 nan 8.300 nan 0.000 0.555 198 A N 7.906 130.368 122.820 -0.596 0.000 2.395 198 A HA 0.319 4.640 4.320 0.001 0.000 0.286 198 A C -0.060 177.223 177.584 -0.502 0.000 1.193 198 A CA -0.539 51.194 52.037 -0.507 0.000 0.852 198 A CB -0.394 18.010 19.000 -0.994 0.000 1.118 198 A HN 0.848 nan 8.150 nan 0.000 0.524 199 L N 2.692 123.792 121.223 -0.204 0.000 2.437 199 L HA 0.317 4.657 4.340 0.001 0.000 0.243 199 L C 1.037 177.816 176.870 -0.152 0.000 1.346 199 L CA 0.833 55.585 54.840 -0.147 0.000 1.233 199 L CB -1.224 40.816 42.059 -0.032 0.000 1.436 199 L HN 1.041 nan 8.230 nan 0.000 0.416 200 N N 0.060 118.638 118.700 -0.203 0.000 4.414 200 N HA -0.173 4.568 4.740 0.001 0.000 0.281 200 N C -0.067 175.370 175.510 -0.121 0.000 0.876 200 N CA -0.090 52.885 53.050 -0.125 0.000 0.740 200 N CB -2.052 nan 38.487 nan 0.000 1.526 200 N HN 0.360 nan 8.380 nan 0.000 0.617 201 Y N 0.185 120.391 120.300 -0.156 0.000 2.509 201 Y HA -0.102 4.448 4.550 0.001 0.000 0.293 201 Y C 2.369 178.234 175.900 -0.057 0.000 1.133 201 Y CA 1.872 59.896 58.100 -0.128 0.000 1.283 201 Y CB 0.489 38.852 38.460 -0.163 0.000 1.001 201 Y HN 0.885 nan 8.280 nan 0.000 0.555 202 D N -1.510 118.948 120.400 0.096 0.000 2.144 202 D HA -0.148 4.493 4.640 0.001 0.000 0.200 202 D C 1.885 178.210 176.300 0.041 0.000 0.978 202 D CA 1.430 55.470 54.000 0.067 0.000 0.833 202 D CB -0.648 40.173 40.800 0.035 0.000 0.961 202 D HN 0.146 nan 8.370 nan 0.000 0.470 203 S N 0.109 115.813 115.700 0.007 0.000 2.382 203 S HA -0.090 4.380 4.470 0.001 0.000 0.228 203 S C 2.301 176.907 174.600 0.010 0.000 1.027 203 S CA 0.963 59.157 58.200 -0.009 0.000 0.991 203 S CB -0.317 62.860 63.200 -0.039 0.000 0.823 203 S HN 0.205 nan 8.310 nan 0.000 0.469 204 V N 1.373 121.301 119.914 0.023 0.000 2.295 204 V HA -0.133 3.988 4.120 0.001 0.000 0.246 204 V C 2.325 178.484 176.094 0.107 0.000 1.049 204 V CA 1.416 63.749 62.300 0.056 0.000 1.024 204 V CB -0.769 31.096 31.823 0.070 0.000 0.648 204 V HN 0.338 nan 8.190 nan 0.000 0.447 205 V N -0.142 119.846 119.914 0.124 0.000 2.343 205 V HA -0.308 3.813 4.120 0.001 0.000 0.247 205 V C 3.021 179.166 176.094 0.085 0.000 1.051 205 V CA 2.598 64.974 62.300 0.127 0.000 1.036 205 V CB -1.128 30.766 31.823 0.118 0.000 0.654 205 V HN 0.716 nan 8.190 nan 0.000 0.451 206 Q N -0.007 119.820 119.800 0.046 0.000 2.079 206 Q HA -0.219 4.122 4.340 0.001 0.000 0.200 206 Q C 2.297 178.290 176.000 -0.011 0.000 0.974 206 Q CA 1.992 57.798 55.803 0.006 0.000 0.840 206 Q CB -0.700 28.034 28.738 -0.008 0.000 0.898 206 Q HN 0.694 nan 8.270 nan 0.000 0.430 207 R N -0.231 120.276 120.500 0.012 0.000 2.080 207 R HA -0.056 4.284 4.340 0.001 0.000 0.236 207 R C 2.341 178.661 176.300 0.033 0.000 1.137 207 R CA 1.805 57.913 56.100 0.012 0.000 0.943 207 R CB -0.471 29.845 30.300 0.026 0.000 0.846 207 R HN 0.567 nan 8.270 nan 0.000 0.431 208 I N 0.826 121.455 120.570 0.099 0.000 2.179 208 I HA -0.236 3.934 4.170 0.001 0.000 0.242 208 I C 2.661 178.845 176.117 0.112 0.000 1.088 208 I CA 1.222 62.627 61.300 0.174 0.000 1.357 208 I CB -0.508 37.657 38.000 0.275 0.000 1.051 208 I HN 0.331 nan 8.210 nan 0.000 0.409 209 A N 0.603 123.445 122.820 0.036 0.000 1.873 209 A HA -0.303 4.018 4.320 0.001 0.000 0.218 209 A C 2.269 179.475 177.584 -0.630 0.000 1.193 209 A CA 1.963 53.896 52.037 -0.173 0.000 0.629 209 A CB -0.824 18.135 19.000 -0.069 0.000 0.826 209 A HN 0.511 nan 8.150 nan 0.000 0.447 210 Q N 0.138 119.729 119.800 -0.349 0.000 2.226 210 Q HA -0.123 4.218 4.340 0.001 0.000 0.204 210 Q C 2.099 177.875 176.000 -0.373 0.000 0.975 210 Q CA 1.477 57.066 55.803 -0.355 0.000 0.866 210 Q CB -0.353 28.275 28.738 -0.183 0.000 0.915 210 Q HN 0.848 nan 8.270 nan 0.000 0.440 211 S N 0.314 115.873 115.700 -0.235 0.000 2.571 211 S HA -0.091 4.379 4.470 0.001 0.000 0.245 211 S C 0.224 174.813 174.600 -0.019 0.000 0.976 211 S CA 0.197 58.362 58.200 -0.058 0.000 0.954 211 S CB -0.682 62.578 63.200 0.099 0.000 0.756 211 S HN 0.358 nan 8.310 nan 0.000 0.535 212 F N -1.786 118.049 119.950 -0.192 0.000 2.613 212 F HA 0.741 5.268 4.527 0.001 0.000 0.310 212 F C -3.143 172.228 175.800 -0.715 0.000 1.085 212 F CA -3.387 54.290 58.000 -0.540 0.000 0.945 212 F CB 0.138 38.968 39.000 -0.283 0.000 1.298 212 F HN -0.294 nan 8.300 nan 0.000 0.455 213 P HA 0.052 nan 4.420 nan 0.000 0.255 213 P C 0.491 177.569 177.300 -0.370 0.000 1.173 213 P CA 0.990 63.602 63.100 -0.814 0.000 0.780 213 P CB 0.559 31.524 31.700 -1.225 0.000 0.758 214 Q N 4.427 124.080 119.800 -0.245 0.000 2.197 214 Q HA -0.247 4.093 4.340 0.001 0.000 0.207 214 Q C 1.544 177.581 176.000 0.062 0.000 0.984 214 Q CA 2.399 58.149 55.803 -0.088 0.000 0.869 214 Q CB -1.696 26.976 28.738 -0.112 0.000 0.906 214 Q HN 0.783 nan 8.270 nan 0.000 0.426 215 N N -2.010 116.718 118.700 0.048 0.000 2.551 215 N HA -0.008 4.732 4.740 0.001 0.000 0.199 215 N C 0.750 176.446 175.510 0.309 0.000 1.277 215 N CA 0.616 53.748 53.050 0.136 0.000 0.870 215 N CB -0.059 38.487 38.487 0.099 0.000 1.028 215 N HN 0.583 nan 8.380 nan 0.000 0.452 216 W N -0.170 121.177 121.300 0.077 0.000 2.704 216 W HA 0.395 5.055 4.660 0.001 0.000 0.266 216 W C 0.197 176.740 176.519 0.039 0.000 1.266 216 W CA -0.586 56.790 57.345 0.053 0.000 1.377 216 W CB -0.372 29.143 29.460 0.091 0.000 1.082 216 W HN 0.091 nan 8.180 nan 0.000 0.608 217 L N 1.955 123.379 121.223 0.335 0.000 2.360 217 L HA 0.386 4.726 4.340 0.001 0.000 0.276 217 L C 0.341 177.276 176.870 0.107 0.000 1.121 217 L CA 0.194 55.160 54.840 0.211 0.000 0.845 217 L CB 0.244 42.445 42.059 0.237 0.000 1.143 217 L HN -0.064 nan 8.230 nan 0.000 0.452 218 K N 6.727 127.157 120.400 0.050 0.000 2.530 218 K HA 0.544 4.864 4.320 0.001 0.000 0.230 218 K C -0.911 175.700 176.600 0.019 0.000 1.002 218 K CA -0.353 55.952 56.287 0.031 0.000 1.014 218 K CB -0.075 32.424 32.500 -0.001 0.000 1.286 218 K HN 0.633 nan 8.250 nan 0.000 0.480 219 L N 0.801 122.041 121.223 0.029 0.000 2.371 219 L HA 0.368 4.709 4.340 0.001 0.000 0.272 219 L C 0.598 177.474 176.870 0.009 0.000 1.124 219 L CA -0.606 54.243 54.840 0.014 0.000 0.816 219 L CB 1.442 43.514 42.059 0.023 0.000 1.129 219 L HN 0.850 nan 8.230 nan 0.000 0.448 220 S N 0.159 115.853 115.700 -0.011 0.000 3.695 220 S HA -0.177 4.293 4.470 0.001 0.000 0.310 220 S C -0.023 174.580 174.600 0.005 0.000 1.166 220 S CA 0.261 58.460 58.200 -0.002 0.000 0.882 220 S CB -1.180 62.033 63.200 0.021 0.000 0.949 220 S HN 0.765 nan 8.310 nan 0.000 0.540 221 c N 2.748 121.343 118.600 -0.010 0.000 2.503 221 c HA 0.347 4.917 4.570 0.001 0.000 0.356 221 c C 0.687 174.769 174.090 -0.013 0.000 1.168 221 c CA -0.601 55.735 56.329 0.012 0.000 1.655 221 c CB -1.099 41.429 42.510 0.029 0.000 1.660 221 c HN 0.613 nan 8.230 nan 0.000 0.484 222 E N 2.026 122.223 120.200 -0.005 0.000 2.417 222 E HA 0.140 4.491 4.350 0.001 0.000 0.261 222 E C -0.504 176.100 176.600 0.007 0.000 1.000 222 E CA 0.105 56.504 56.400 -0.002 0.000 0.919 222 E CB 0.778 30.522 29.700 0.074 0.000 0.955 222 E HN 0.470 nan 8.360 nan 0.000 0.455 223 V N 6.641 126.548 119.914 -0.012 0.000 2.432 223 V HA 0.018 4.138 4.120 0.001 0.000 0.271 223 V C 1.188 177.260 176.094 -0.036 0.000 1.046 223 V CA 0.082 62.368 62.300 -0.024 0.000 0.945 223 V CB 1.087 32.880 31.823 -0.051 0.000 0.992 223 V HN 0.765 nan 8.190 nan 0.000 0.471 224 K N 3.223 123.600 120.400 -0.038 0.000 2.211 224 K HA 0.165 4.485 4.320 0.001 0.000 0.201 224 K C 0.495 177.035 176.600 -0.100 0.000 1.052 224 K CA 0.669 56.927 56.287 -0.048 0.000 0.973 224 K CB 0.388 32.872 32.500 -0.027 0.000 0.766 224 K HN 0.668 nan 8.250 nan 0.000 0.466 225 S N 0.069 115.693 115.700 -0.127 0.000 2.556 225 S HA 0.474 4.944 4.470 0.001 0.000 0.280 225 S C -0.926 173.561 174.600 -0.188 0.000 1.141 225 S CA -1.106 56.981 58.200 -0.189 0.000 0.883 225 S CB 0.948 64.079 63.200 -0.115 0.000 1.103 225 S HN 0.176 nan 8.310 nan 0.000 0.453 226 I N 2.166 122.563 120.570 -0.288 0.000 2.493 226 I HA 0.641 4.811 4.170 0.001 0.000 0.298 226 I C -0.637 175.444 176.117 -0.059 0.000 0.998 226 I CA -0.520 60.677 61.300 -0.172 0.000 1.137 226 I CB 2.384 40.264 38.000 -0.199 0.000 1.310 226 I HN 0.844 nan 8.210 nan 0.000 0.445 227 T N 3.625 118.172 114.554 -0.012 0.000 3.293 227 T HA 0.425 4.775 4.350 0.001 0.000 0.320 227 T C -0.224 174.484 174.700 0.013 0.000 0.995 227 T CA -0.708 61.403 62.100 0.019 0.000 1.041 227 T CB 1.335 70.206 68.868 0.005 0.000 1.058 227 T HN 0.689 nan 8.240 nan 0.000 0.453 228 R N 1.115 121.630 120.500 0.025 0.000 2.230 228 R HA 0.773 5.114 4.340 0.001 0.000 0.337 228 R C 0.186 176.485 176.300 -0.000 0.000 1.063 228 R CA -0.283 55.818 56.100 0.002 0.000 0.935 228 R CB -0.950 nan 30.300 nan 0.000 1.121 228 R HN 1.012 nan 8.270 nan 0.000 0.486 229 E N 4.075 124.270 120.200 -0.008 0.000 2.413 229 E HA 0.201 4.552 4.350 0.001 0.000 0.263 229 E C -1.269 175.324 176.600 -0.012 0.000 1.015 229 E CA -1.100 55.296 56.400 -0.007 0.000 0.916 229 E CB 0.190 nan 29.700 nan 0.000 0.947 229 E HN 0.606 nan 8.360 nan 0.000 0.440 230 P HA -0.181 nan 4.420 nan 0.000 0.227 230 P C 1.318 178.609 177.300 -0.016 0.000 1.145 230 P CA 1.617 64.711 63.100 -0.011 0.000 0.769 230 P CB -0.116 31.581 31.700 -0.005 0.000 0.769 231 S N -0.103 115.587 115.700 -0.017 0.000 2.584 231 S HA 0.139 4.609 4.470 0.001 0.000 0.240 231 S C 1.464 176.047 174.600 -0.027 0.000 0.975 231 S CA 2.052 60.241 58.200 -0.019 0.000 0.949 231 S CB -0.975 62.215 63.200 -0.016 0.000 0.761 231 S HN 0.291 nan 8.310 nan 0.000 0.536 232 K N -3.140 117.238 120.400 -0.037 0.000 3.464 232 K HA -0.007 4.314 4.320 0.001 0.000 0.286 232 K C 0.243 176.796 176.600 -0.079 0.000 1.352 232 K CA 1.974 58.227 56.287 -0.056 0.000 0.928 232 K CB -2.954 nan 32.500 nan 0.000 1.424 232 K HN 2.085 nan 8.250 nan 0.000 0.484 233 N N -0.862 117.799 118.700 -0.065 0.000 2.405 233 N HA 0.796 5.537 4.740 0.001 0.000 0.285 233 N C -0.155 175.320 175.510 -0.059 0.000 1.262 233 N CA -0.080 52.926 53.050 -0.073 0.000 0.773 233 N CB 2.185 40.642 38.487 -0.049 0.000 1.490 233 N HN 0.920 nan 8.380 nan 0.000 0.486 234 V N 0.392 120.268 119.914 -0.063 0.000 2.539 234 V HA 0.699 4.819 4.120 0.001 0.000 0.292 234 V C 0.229 176.311 176.094 -0.020 0.000 1.045 234 V CA -0.453 61.822 62.300 -0.042 0.000 0.945 234 V CB 1.430 33.221 31.823 -0.053 0.000 0.993 234 V HN 0.838 nan 8.190 nan 0.000 0.464 235 T N 3.822 118.369 114.554 -0.011 0.000 2.864 235 T HA 0.489 4.839 4.350 0.001 0.000 0.310 235 T C -0.383 174.318 174.700 0.001 0.000 1.040 235 T CA -0.262 61.839 62.100 0.001 0.000 0.977 235 T CB 1.168 70.033 68.868 -0.006 0.000 0.976 235 T HN 0.396 nan 8.240 nan 0.000 0.459 236 V N 4.418 124.349 119.914 0.029 0.000 2.472 236 V HA 0.513 4.634 4.120 0.001 0.000 0.290 236 V C -0.255 175.876 176.094 0.062 0.000 1.037 236 V CA -1.033 61.284 62.300 0.028 0.000 0.908 236 V CB 1.489 33.330 31.823 0.030 0.000 0.985 236 V HN 0.807 nan 8.190 nan 0.000 0.454 237 N N 2.206 120.917 118.700 0.018 0.000 2.442 237 N HA 0.514 5.254 4.740 0.001 0.000 0.274 237 N C -0.476 175.045 175.510 0.020 0.000 1.002 237 N CA -0.422 52.634 53.050 0.011 0.000 0.910 237 N CB 1.348 39.821 38.487 -0.023 0.000 1.244 237 N HN 0.628 nan 8.380 nan 0.000 0.492 238 c N 0.517 119.148 118.600 0.053 0.000 2.769 238 c HA 0.116 4.686 4.570 0.001 0.000 0.296 238 c C 2.226 176.326 174.090 0.017 0.000 1.538 238 c CA -0.011 56.347 56.329 0.048 0.000 2.178 238 c CB 0.385 42.950 42.510 0.091 0.000 2.077 238 c HN 0.781 nan 8.230 nan 0.000 0.648 239 E N 0.343 120.555 120.200 0.021 0.000 2.318 239 E HA -0.066 4.285 4.350 0.001 0.000 0.193 239 E C 1.447 178.053 176.600 0.010 0.000 0.998 239 E CA 1.350 57.760 56.400 0.016 0.000 0.859 239 E CB -0.222 29.496 29.700 0.030 0.000 0.812 239 E HN 0.773 nan 8.360 nan 0.000 0.492 240 D N -1.997 118.410 120.400 0.012 0.000 2.137 240 D HA 0.051 4.691 4.640 0.001 0.000 0.202 240 D C 1.499 177.792 176.300 -0.012 0.000 0.970 240 D CA 1.418 55.420 54.000 0.004 0.000 0.837 240 D CB -0.048 40.757 40.800 0.008 0.000 0.981 240 D HN 0.206 nan 8.370 nan 0.000 0.475 241 G N -0.798 107.988 108.800 -0.023 0.000 3.382 241 G HA2 -0.139 3.821 3.960 0.001 0.000 0.214 241 G HA3 -0.139 3.821 3.960 0.001 0.000 0.214 241 G C 0.349 175.199 174.900 -0.083 0.000 1.025 241 G CA 0.022 45.096 45.100 -0.044 0.000 0.869 241 G HN 0.646 nan 8.290 nan 0.000 0.458 242 T N 1.029 115.520 114.554 -0.104 0.000 2.866 242 T HA 0.449 4.799 4.350 0.001 0.000 0.293 242 T C 0.380 174.885 174.700 -0.324 0.000 1.005 242 T CA 0.292 62.252 62.100 -0.232 0.000 1.162 242 T CB 1.760 70.487 68.868 -0.234 0.000 0.968 242 T HN 0.752 nan 8.240 nan 0.000 0.530 243 V N 3.851 123.523 119.914 -0.403 0.000 2.850 243 V HA 0.661 4.781 4.120 0.001 0.000 0.315 243 V C -0.670 175.109 176.094 -0.526 0.000 1.064 243 V CA -0.976 61.137 62.300 -0.311 0.000 0.979 243 V CB 1.224 32.953 31.823 -0.157 0.000 1.039 243 V HN 0.954 nan 8.190 nan 0.000 0.452 244 Y N 1.108 121.386 120.300 -0.037 0.000 2.615 244 Y HA 0.576 5.127 4.550 0.001 0.000 0.341 244 Y C -0.187 175.687 175.900 -0.043 0.000 1.089 244 Y CA -1.113 56.963 58.100 -0.041 0.000 1.049 244 Y CB 2.172 40.602 38.460 -0.050 0.000 1.296 244 Y HN 0.718 nan 8.280 nan 0.000 0.470 245 N N 1.161 119.946 118.700 0.142 0.000 2.310 245 N HA 0.798 5.538 4.740 0.001 0.000 0.292 245 N C -1.759 173.769 175.510 0.030 0.000 1.049 245 N CA -0.574 52.508 53.050 0.053 0.000 0.849 245 N CB 2.185 40.687 38.487 0.025 0.000 1.532 245 N HN 0.826 nan 8.380 nan 0.000 0.479 246 A N 0.991 123.809 122.820 -0.004 0.000 2.527 246 A HA 0.544 4.865 4.320 0.001 0.000 0.293 246 A C -0.200 177.364 177.584 -0.034 0.000 1.117 246 A CA -0.594 51.430 52.037 -0.021 0.000 0.723 246 A CB 1.235 20.207 19.000 -0.046 0.000 1.313 246 A HN 0.558 nan 8.150 nan 0.000 0.411 247 D N -0.722 119.678 120.400 -0.000 0.000 2.162 247 D HA 0.098 4.738 4.640 0.001 0.000 0.203 247 D C -0.491 175.692 176.300 -0.195 0.000 0.967 247 D CA 2.152 56.137 54.000 -0.026 0.000 0.840 247 D CB -0.024 40.872 40.800 0.160 0.000 0.972 247 D HN 0.474 nan 8.370 nan 0.000 0.482 248 Y N -1.424 118.832 120.300 -0.073 0.000 2.581 248 Y HA 0.517 5.067 4.550 0.001 0.000 0.345 248 Y C -0.470 175.367 175.900 -0.105 0.000 1.036 248 Y CA -1.079 56.972 58.100 -0.081 0.000 1.042 248 Y CB 2.296 40.706 38.460 -0.083 0.000 1.289 248 Y HN -0.395 nan 8.280 nan 0.000 0.471 249 V N 3.804 123.742 119.914 0.040 0.000 2.808 249 V HA 0.605 4.726 4.120 0.001 0.000 0.308 249 V C -1.512 174.536 176.094 -0.078 0.000 1.099 249 V CA -0.740 61.533 62.300 -0.046 0.000 0.920 249 V CB 1.941 33.723 31.823 -0.069 0.000 1.014 249 V HN 0.661 nan 8.190 nan 0.000 0.425 250 I N 7.157 127.664 120.570 -0.105 0.000 2.466 250 I HA 0.397 4.567 4.170 0.001 0.000 0.279 250 I C -0.834 175.208 176.117 -0.125 0.000 1.033 250 I CA -0.500 60.724 61.300 -0.126 0.000 1.123 250 I CB 1.643 39.587 38.000 -0.092 0.000 1.237 250 I HN 0.430 nan 8.210 nan 0.000 0.460 251 I N 5.420 125.872 120.570 -0.197 0.000 2.406 251 I HA 0.013 4.183 4.170 0.001 0.000 0.293 251 I C 1.476 177.621 176.117 0.047 0.000 1.101 251 I CA 0.520 61.765 61.300 -0.093 0.000 1.334 251 I CB 0.540 38.449 38.000 -0.151 0.000 1.421 251 I HN 0.571 nan 8.210 nan 0.000 0.513 252 T N 2.951 117.553 114.554 0.079 0.000 3.215 252 T HA 0.285 4.636 4.350 0.001 0.000 0.271 252 T C 0.332 175.132 174.700 0.166 0.000 1.012 252 T CA -0.414 61.772 62.100 0.144 0.000 0.899 252 T CB -0.600 68.318 68.868 0.083 0.000 1.089 252 T HN 0.296 nan 8.240 nan 0.000 0.552 253 V N 0.131 120.145 119.914 0.167 0.000 3.096 253 V HA 0.475 4.596 4.120 0.001 0.000 0.306 253 V C -2.153 173.995 176.094 0.090 0.000 1.088 253 V CA -1.920 60.457 62.300 0.130 0.000 1.129 253 V CB -0.069 31.840 31.823 0.144 0.000 1.014 253 V HN 0.184 nan 8.190 nan 0.000 0.486 254 P HA 0.077 nan 4.420 nan 0.000 0.272 254 P C 0.444 177.588 177.300 -0.260 0.000 1.230 254 P CA -0.105 62.891 63.100 -0.174 0.000 0.788 254 P CB 0.882 32.544 31.700 -0.064 0.000 0.949 255 Q N 1.623 121.093 119.800 -0.550 0.000 2.045 255 Q HA -0.199 4.141 4.340 0.001 0.000 0.206 255 Q C 2.054 178.065 176.000 0.017 0.000 0.991 255 Q CA 2.939 58.616 55.803 -0.211 0.000 0.851 255 Q CB -0.478 28.203 28.738 -0.096 0.000 0.911 255 Q HN 0.597 nan 8.270 nan 0.000 0.418 256 S N -0.765 114.918 115.700 -0.028 0.000 2.402 256 S HA -0.140 4.330 4.470 0.001 0.000 0.233 256 S C 1.914 176.491 174.600 -0.038 0.000 1.030 256 S CA 1.492 59.675 58.200 -0.029 0.000 1.003 256 S CB -0.618 62.571 63.200 -0.019 0.000 0.813 256 S HN 0.276 nan 8.310 nan 0.000 0.477 257 V N 1.264 121.178 119.914 -0.001 0.000 2.407 257 V HA 0.024 4.144 4.120 0.001 0.000 0.245 257 V C 2.405 178.524 176.094 0.041 0.000 1.041 257 V CA 1.439 63.759 62.300 0.033 0.000 1.040 257 V CB -0.743 31.131 31.823 0.086 0.000 0.671 257 V HN 0.460 nan 8.190 nan 0.000 0.455 258 L N 1.088 122.360 121.223 0.082 0.000 2.275 258 L HA -0.087 4.253 4.340 0.001 0.000 0.215 258 L C 1.973 178.795 176.870 -0.081 0.000 1.119 258 L CA 1.760 56.698 54.840 0.163 0.000 0.790 258 L CB -0.973 41.284 42.059 0.330 0.000 0.919 258 L HN 0.403 nan 8.230 nan 0.000 0.443 259 N N -0.997 117.494 118.700 -0.347 0.000 2.512 259 N HA -0.128 4.613 4.740 0.001 0.000 0.183 259 N C 1.566 176.807 175.510 -0.447 0.000 1.073 259 N CA 0.870 53.381 53.050 -0.898 0.000 0.911 259 N CB -0.151 37.889 38.487 -0.746 0.000 0.964 259 N HN 0.459 nan 8.380 nan 0.000 0.447 260 L N -0.864 120.244 121.223 -0.193 0.000 2.313 260 L HA 0.047 4.388 4.340 0.001 0.000 0.214 260 L C 1.937 178.785 176.870 -0.037 0.000 1.119 260 L CA 0.350 55.135 54.840 -0.092 0.000 0.809 260 L CB -0.233 41.807 42.059 -0.032 0.000 0.933 260 L HN 0.115 nan 8.230 nan 0.000 0.449 261 S N 0.145 115.855 115.700 0.016 0.000 2.419 261 S HA -0.151 4.319 4.470 0.001 0.000 0.235 261 S C 1.965 176.608 174.600 0.072 0.000 1.019 261 S CA 1.526 59.808 58.200 0.136 0.000 0.982 261 S CB -0.245 63.165 63.200 0.350 0.000 0.789 261 S HN 0.470 nan 8.310 nan 0.000 0.490 262 V N -1.032 118.865 119.914 -0.029 0.000 2.951 262 V HA 0.208 4.329 4.120 0.001 0.000 0.255 262 V C 0.915 177.001 176.094 -0.014 0.000 1.088 262 V CA 0.873 63.163 62.300 -0.016 0.000 1.109 262 V CB -1.681 30.110 31.823 -0.052 0.000 0.724 262 V HN 0.505 nan 8.190 nan 0.000 0.471 263 Q N 0.621 120.402 119.800 -0.031 0.000 2.299 263 Q HA 0.714 5.054 4.340 0.001 0.000 0.246 263 Q C -1.383 174.618 176.000 0.002 0.000 0.935 263 Q CA -0.771 55.021 55.803 -0.018 0.000 0.887 263 Q CB -0.538 nan 28.738 nan 0.000 1.223 263 Q HN 0.627 nan 8.270 nan 0.000 0.439 264 P HA 0.603 nan 4.420 nan 0.000 0.302 264 P C 0.505 177.809 177.300 0.006 0.000 1.307 264 P CA 1.306 64.412 63.100 0.010 0.000 0.754 264 P CB -0.040 nan 31.700 nan 0.000 1.298 265 E N -3.766 116.439 120.200 0.007 0.000 2.539 265 E HA -0.139 4.211 4.350 0.001 0.000 0.253 265 E C 0.447 177.048 176.600 0.003 0.000 1.145 265 E CA 1.770 58.172 56.400 0.004 0.000 0.738 265 E CB -2.823 nan 29.700 nan 0.000 1.308 265 E HN 1.260 nan 8.360 nan 0.000 0.409 266 K N 1.132 121.536 120.400 0.006 0.000 2.367 266 K HA 0.316 4.636 4.320 0.001 0.000 0.275 266 K C 0.799 177.400 176.600 0.002 0.000 1.125 266 K CA 0.695 56.986 56.287 0.006 0.000 1.133 266 K CB -0.172 nan 32.500 nan 0.000 0.875 266 K HN 0.785 nan 8.250 nan 0.000 0.467 267 N N 0.915 119.614 118.700 -0.001 0.000 2.028 267 N HA 0.017 4.758 4.740 0.001 0.000 0.230 267 N C 0.597 176.104 175.510 -0.005 0.000 1.354 267 N CA 0.732 53.781 53.050 -0.003 0.000 0.855 267 N CB 0.077 38.561 38.487 -0.004 0.000 1.111 267 N HN 0.546 nan 8.380 nan 0.000 0.480 268 L N 2.495 123.713 121.223 -0.008 0.000 2.578 268 L HA 0.290 4.630 4.340 0.001 0.000 0.279 268 L C 0.967 177.830 176.870 -0.011 0.000 1.227 268 L CA 0.119 54.951 54.840 -0.015 0.000 0.900 268 L CB -1.191 40.859 42.059 -0.016 0.000 1.144 268 L HN 0.394 nan 8.230 nan 0.000 0.496 269 R N 3.568 124.049 120.500 -0.031 0.000 2.537 269 R HA 0.402 4.742 4.340 0.001 0.000 0.281 269 R C 1.390 177.694 176.300 0.006 0.000 0.988 269 R CA 1.632 57.710 56.100 -0.036 0.000 1.077 269 R CB -0.132 30.089 30.300 -0.132 0.000 0.932 269 R HN 2.382 nan 8.270 nan 0.000 0.409 270 G N 3.275 112.143 108.800 0.112 0.000 2.336 270 G HA2 -0.315 3.645 3.960 0.001 0.000 0.233 270 G HA3 -0.315 3.645 3.960 0.001 0.000 0.233 270 G C 0.070 175.034 174.900 0.108 0.000 1.053 270 G CA 0.203 45.421 45.100 0.196 0.000 0.625 270 G HN 0.753 nan 8.290 nan 0.000 0.511 271 R N 1.573 122.109 120.500 0.060 0.000 2.537 271 R HA 0.320 4.661 4.340 0.001 0.000 0.281 271 R C -0.134 176.170 176.300 0.006 0.000 0.988 271 R CA 0.345 56.469 56.100 0.041 0.000 1.077 271 R CB -0.311 30.004 30.300 0.024 0.000 0.932 271 R HN 0.454 nan 8.270 nan 0.000 0.409 272 I N 2.979 123.539 120.570 -0.017 0.000 2.412 272 I HA 0.139 4.310 4.170 0.001 0.000 0.296 272 I C -0.019 175.947 176.117 -0.253 0.000 0.987 272 I CA -0.811 60.369 61.300 -0.201 0.000 1.180 272 I CB 1.844 39.606 38.000 -0.396 0.000 1.340 272 I HN 0.526 nan 8.210 nan 0.000 0.455 273 E N 6.027 126.065 120.200 -0.271 0.000 2.081 273 E HA 0.376 4.726 4.350 0.001 0.000 0.281 273 E C -1.494 174.969 176.600 -0.229 0.000 0.986 273 E CA -0.240 56.077 56.400 -0.140 0.000 0.796 273 E CB 0.417 30.078 29.700 -0.064 0.000 1.085 273 E HN 0.199 nan 8.360 nan 0.000 0.398 274 F N 3.027 123.003 119.950 0.043 0.000 2.379 274 F HA 0.510 5.037 4.527 0.001 0.000 0.332 274 F C 0.300 176.121 175.800 0.035 0.000 1.096 274 F CA -0.544 57.483 58.000 0.045 0.000 1.105 274 F CB 1.478 40.522 39.000 0.074 0.000 1.189 274 F HN 0.297 nan 8.300 nan 0.000 0.515 275 Q N 3.906 123.831 119.800 0.209 0.000 2.296 275 Q HA 0.339 4.680 4.340 0.001 0.000 0.254 275 Q C -2.758 173.302 176.000 0.100 0.000 0.936 275 Q CA -2.050 53.827 55.803 0.123 0.000 0.834 275 Q CB 1.934 30.713 28.738 0.067 0.000 1.340 275 Q HN 0.197 nan 8.270 nan 0.000 0.428 276 P HA 0.237 nan 4.420 nan 0.000 0.273 276 P C -2.415 174.957 177.300 0.120 0.000 1.250 276 P CA -0.870 62.280 63.100 0.083 0.000 0.793 276 P CB 0.007 31.740 31.700 0.055 0.000 1.011 277 P HA 0.069 nan 4.420 nan 0.000 0.278 277 P C -0.109 177.222 177.300 0.052 0.000 1.270 277 P CA 0.000 63.168 63.100 0.113 0.000 0.800 277 P CB 0.390 32.140 31.700 0.083 0.000 1.142 278 L N 0.078 121.297 121.223 -0.008 0.000 2.360 278 L HA 0.170 4.510 4.340 0.001 0.000 0.276 278 L C 1.318 178.171 176.870 -0.028 0.000 1.121 278 L CA -0.563 54.231 54.840 -0.076 0.000 0.845 278 L CB -0.170 41.799 42.059 -0.150 0.000 1.143 278 L HN 0.358 nan 8.230 nan 0.000 0.452 279 K N 4.085 124.468 120.400 -0.029 0.000 2.524 279 K HA 0.040 4.360 4.320 0.001 0.000 0.279 279 K C -1.776 174.806 176.600 -0.029 0.000 0.993 279 K CA -1.088 55.186 56.287 -0.021 0.000 1.030 279 K CB 0.065 32.551 32.500 -0.022 0.000 0.891 279 K HN 0.319 nan 8.250 nan 0.000 0.488 280 P HA -0.312 nan 4.420 nan 0.000 0.219 280 P C 1.507 178.786 177.300 -0.035 0.000 1.153 280 P CA 1.167 64.260 63.100 -0.013 0.000 0.865 280 P CB -0.030 31.665 31.700 -0.007 0.000 0.788 281 V N -0.620 119.262 119.914 -0.053 0.000 2.568 281 V HA -0.206 3.915 4.120 0.001 0.000 0.253 281 V C 2.327 178.343 176.094 -0.130 0.000 1.072 281 V CA 1.583 63.835 62.300 -0.080 0.000 1.084 281 V CB -0.878 30.898 31.823 -0.079 0.000 0.676 281 V HN -0.072 nan 8.190 nan 0.000 0.469 282 I N -0.800 119.688 120.570 -0.136 0.000 2.296 282 I HA -0.122 4.049 4.170 0.001 0.000 0.242 282 I C 2.480 178.511 176.117 -0.144 0.000 1.087 282 I CA 1.291 62.462 61.300 -0.214 0.000 1.393 282 I CB -1.581 36.294 38.000 -0.207 0.000 1.093 282 I HN 0.349 nan 8.210 nan 0.000 0.421 283 Q N 0.673 120.484 119.800 0.019 0.000 2.152 283 Q HA -0.233 4.107 4.340 0.001 0.000 0.206 283 Q C 1.766 177.848 176.000 0.136 0.000 0.985 283 Q CA 1.660 57.566 55.803 0.172 0.000 0.863 283 Q CB -0.051 28.748 28.738 0.101 0.000 0.904 283 Q HN 0.493 nan 8.270 nan 0.000 0.422 284 D N 0.076 120.483 120.400 0.012 0.000 2.144 284 D HA -0.113 4.528 4.640 0.001 0.000 0.200 284 D C 1.796 178.060 176.300 -0.060 0.000 0.978 284 D CA 1.104 55.099 54.000 -0.008 0.000 0.833 284 D CB -0.148 40.633 40.800 -0.030 0.000 0.961 284 D HN 0.238 nan 8.370 nan 0.000 0.470 285 A N 0.760 123.467 122.820 -0.187 0.000 1.958 285 A HA -0.229 4.092 4.320 0.001 0.000 0.221 285 A C 2.029 179.447 177.584 -0.277 0.000 1.178 285 A CA 1.317 53.174 52.037 -0.299 0.000 0.642 285 A CB -1.276 nan 19.000 nan 0.000 0.816 285 A HN 0.234 nan 8.150 nan 0.000 0.453 286 F N 0.285 120.201 119.950 -0.057 0.000 2.365 286 F HA -0.127 4.400 4.527 0.001 0.000 0.300 286 F C 1.716 177.486 175.800 -0.051 0.000 1.090 286 F CA 1.008 58.976 58.000 -0.054 0.000 1.408 286 F CB -0.117 38.858 39.000 -0.043 0.000 1.060 286 F HN 0.207 nan 8.300 nan 0.000 0.534 287 D N 0.294 120.758 120.400 0.107 0.000 2.312 287 D HA -0.054 4.587 4.640 0.001 0.000 0.211 287 D C 1.850 178.165 176.300 0.026 0.000 0.964 287 D CA 0.866 54.905 54.000 0.064 0.000 0.877 287 D CB -0.265 40.564 40.800 0.048 0.000 0.924 287 D HN 0.322 nan 8.370 nan 0.000 0.515 288 K N 1.050 121.445 120.400 -0.007 0.000 3.100 288 K HA 0.547 4.867 4.320 0.001 0.000 0.256 288 K C 1.113 177.676 176.600 -0.060 0.000 1.146 288 K CA 0.490 56.759 56.287 -0.030 0.000 1.233 288 K CB -1.944 30.524 32.500 -0.053 0.000 1.226 288 K HN 0.295 nan 8.250 nan 0.000 0.442 289 I N -2.088 118.442 120.570 -0.067 0.000 4.003 289 I HA 0.160 4.330 4.170 0.001 0.000 0.134 289 I C 0.809 176.791 176.117 -0.224 0.000 1.035 289 I CA 2.013 63.191 61.300 -0.204 0.000 2.692 289 I CB -1.839 nan 38.000 nan 0.000 1.407 289 I HN 2.468 nan 8.210 nan 0.000 0.344 290 H N -1.557 117.254 119.070 -0.432 0.000 2.922 290 H HA 0.748 5.305 4.556 0.001 0.000 0.226 290 H C 0.763 175.917 175.328 -0.290 0.000 1.324 290 H CA 1.019 56.907 56.048 -0.267 0.000 1.170 290 H CB -0.873 nan 29.762 nan 0.000 1.780 290 H HN 3.403 nan 8.280 nan 0.000 0.382 291 F N -1.519 118.352 119.950 -0.131 0.000 2.121 291 F HA 0.377 4.904 4.527 0.001 0.000 0.470 291 F C 0.985 176.744 175.800 -0.068 0.000 1.232 291 F CA 0.983 58.928 58.000 -0.091 0.000 1.518 291 F CB -1.406 37.557 39.000 -0.062 0.000 2.410 291 F HN 2.568 nan 8.300 nan 0.000 0.729 292 G N 0.563 109.291 108.800 -0.120 0.000 2.887 292 G HA2 1.066 5.026 3.960 0.001 0.000 0.277 292 G HA3 1.066 5.026 3.960 0.001 0.000 0.277 292 G C 0.470 175.270 174.900 -0.166 0.000 1.346 292 G CA -0.112 44.932 45.100 -0.094 0.000 1.058 292 G HN 2.744 nan 8.290 nan 0.000 0.535 293 A N -0.240 122.505 122.820 -0.124 0.000 3.176 293 A HA 0.506 4.826 4.320 0.001 0.000 0.265 293 A C -0.317 177.231 177.584 -0.060 0.000 0.936 293 A CA -0.405 51.578 52.037 -0.090 0.000 1.033 293 A CB -0.085 18.903 19.000 -0.020 0.000 1.158 293 A HN 0.641 nan 8.150 nan 0.000 0.485 294 L N 1.295 122.440 121.223 -0.130 0.000 2.499 294 L HA 0.507 4.847 4.340 0.001 0.000 0.273 294 L C 0.662 177.577 176.870 0.074 0.000 1.195 294 L CA 1.088 55.925 54.840 -0.004 0.000 0.882 294 L CB 0.620 42.701 42.059 0.036 0.000 1.133 294 L HN 0.439 nan 8.230 nan 0.000 0.483 295 G N 4.177 113.043 108.800 0.110 0.000 2.714 295 G HA2 0.633 4.593 3.960 0.001 0.000 0.292 295 G HA3 0.633 4.593 3.960 0.001 0.000 0.292 295 G C -1.399 173.581 174.900 0.133 0.000 1.308 295 G CA -0.731 44.459 45.100 0.150 0.000 0.964 295 G HN 0.550 nan 8.290 nan 0.000 0.484 296 K N -0.656 119.810 120.400 0.110 0.000 2.464 296 K HA 0.617 4.937 4.320 0.001 0.000 0.253 296 K C -1.605 174.946 176.600 -0.081 0.000 0.933 296 K CA -0.694 55.618 56.287 0.042 0.000 0.801 296 K CB 3.073 35.626 32.500 0.089 0.000 1.271 296 K HN 0.262 nan 8.250 nan 0.000 0.430 297 V N 4.168 123.970 119.914 -0.186 0.000 2.569 297 V HA 0.393 4.513 4.120 0.001 0.000 0.301 297 V C -0.667 175.098 176.094 -0.549 0.000 1.044 297 V CA -0.929 61.113 62.300 -0.429 0.000 0.874 297 V CB 1.617 33.071 31.823 -0.615 0.000 1.002 297 V HN 0.621 nan 8.190 nan 0.000 0.424 298 I N 4.606 124.809 120.570 -0.612 0.000 2.359 298 I HA 0.490 4.660 4.170 0.001 0.000 0.294 298 I C -0.726 174.951 176.117 -0.733 0.000 0.987 298 I CA -0.295 60.668 61.300 -0.562 0.000 1.225 298 I CB 1.237 38.873 38.000 -0.607 0.000 1.366 298 I HN 0.435 nan 8.210 nan 0.000 0.466 299 F N 4.018 123.811 119.950 -0.262 0.000 2.347 299 F HA 0.365 4.892 4.527 0.001 0.000 0.366 299 F C 0.665 176.162 175.800 -0.505 0.000 1.107 299 F CA -0.668 57.090 58.000 -0.404 0.000 1.058 299 F CB 0.878 39.649 39.000 -0.382 0.000 1.236 299 F HN 0.381 nan 8.300 nan 0.000 0.456 300 E N 3.839 123.816 120.200 -0.372 0.000 2.200 300 E HA 0.408 4.758 4.350 0.001 0.000 0.283 300 E C -1.013 175.339 176.600 -0.414 0.000 1.015 300 E CA -0.388 55.891 56.400 -0.202 0.000 0.819 300 E CB 1.309 30.999 29.700 -0.017 0.000 1.081 300 E HN 0.352 nan 8.360 nan 0.000 0.397 301 F N 0.696 120.719 119.950 0.121 0.000 2.541 301 F HA 0.222 4.749 4.527 0.001 0.000 0.331 301 F C 1.739 177.637 175.800 0.163 0.000 1.057 301 F CA -0.743 57.319 58.000 0.102 0.000 0.975 301 F CB 1.076 40.208 39.000 0.219 0.000 1.246 301 F HN 0.438 nan 8.300 nan 0.000 0.484 302 E N 0.599 120.999 120.200 0.333 0.000 2.051 302 E HA -0.131 4.219 4.350 0.001 0.000 0.192 302 E C -0.268 176.490 176.600 0.263 0.000 0.991 302 E CA 1.407 57.988 56.400 0.302 0.000 0.799 302 E CB 0.046 29.866 29.700 0.202 0.000 0.748 302 E HN 0.631 nan 8.360 nan 0.000 0.449 303 E N -0.497 119.825 120.200 0.203 0.000 2.478 303 E HA 0.122 4.472 4.350 0.001 0.000 0.293 303 E C -1.087 175.424 176.600 -0.148 0.000 1.011 303 E CA -0.573 55.864 56.400 0.061 0.000 0.834 303 E CB 0.437 30.148 29.700 0.017 0.000 1.226 303 E HN 0.050 nan 8.360 nan 0.000 0.419 304 C N 2.689 121.742 119.300 -0.412 0.000 2.538 304 C HA 0.219 4.679 4.460 0.001 0.000 0.408 304 C C 1.154 175.592 174.990 -0.921 0.000 1.421 304 C CA 0.602 58.847 59.018 -1.288 0.000 1.642 304 C CB -1.539 25.554 27.740 -1.079 0.000 2.553 304 C HN 0.776 nan 8.230 nan 0.000 0.604 305 C N 5.260 123.961 119.300 -0.999 0.000 3.254 305 C HA 0.650 5.111 4.460 0.001 0.000 0.264 305 C C -0.837 174.083 174.990 -0.117 0.000 2.396 305 C CA -0.726 58.077 59.018 -0.357 0.000 1.468 305 C CB -2.215 25.451 27.740 -0.122 0.000 2.871 305 C HN 1.071 nan 8.230 nan 0.000 0.480 306 W N -0.784 120.485 121.300 -0.050 0.000 3.118 306 W HA 0.731 5.391 4.660 0.001 0.000 0.328 306 W C -0.341 176.164 176.519 -0.023 0.000 1.239 306 W CA -1.089 56.230 57.345 -0.043 0.000 1.176 306 W CB 0.181 29.612 29.460 -0.049 0.000 1.433 306 W HN 0.174 nan 8.180 nan 0.000 0.562 307 S N 1.570 117.412 115.700 0.237 0.000 2.563 307 S HA -0.011 4.459 4.470 0.001 0.000 0.294 307 S C 0.361 175.071 174.600 0.184 0.000 1.279 307 S CA 0.173 58.455 58.200 0.137 0.000 1.069 307 S CB 0.007 63.264 63.200 0.096 0.000 0.828 307 S HN 0.524 nan 8.310 nan 0.000 0.497 308 N N 3.721 122.466 118.700 0.076 0.000 2.378 308 N HA 0.059 4.799 4.740 0.001 0.000 0.243 308 N C 1.202 176.732 175.510 0.032 0.000 1.137 308 N CA -0.020 53.071 53.050 0.067 0.000 0.862 308 N CB 0.263 38.760 38.487 0.017 0.000 1.116 308 N HN 0.823 nan 8.380 nan 0.000 0.499 309 E N 0.105 120.322 120.200 0.028 0.000 2.070 309 E HA -0.117 4.233 4.350 0.001 0.000 0.197 309 E C 0.063 176.652 176.600 -0.018 0.000 1.004 309 E CA 0.831 57.233 56.400 0.003 0.000 0.805 309 E CB 0.249 29.951 29.700 0.002 0.000 0.744 309 E HN 0.113 nan 8.360 nan 0.000 0.451 310 S N -2.160 113.515 115.700 -0.043 0.000 2.579 310 S HA 0.226 4.697 4.470 0.001 0.000 0.272 310 S C 0.235 174.753 174.600 -0.136 0.000 1.141 310 S CA -0.161 57.986 58.200 -0.087 0.000 0.843 310 S CB 1.700 64.830 63.200 -0.117 0.000 1.122 310 S HN 0.179 nan 8.310 nan 0.000 0.468 311 S N 1.639 117.244 115.700 -0.158 0.000 2.524 311 S HA 0.330 4.801 4.470 0.001 0.000 0.216 311 S C -0.044 174.365 174.600 -0.318 0.000 0.987 311 S CA -0.078 58.006 58.200 -0.194 0.000 0.909 311 S CB -0.150 62.979 63.200 -0.117 0.000 0.781 311 S HN 0.479 nan 8.310 nan 0.000 0.521 312 K N 1.765 121.915 120.400 -0.416 0.000 2.307 312 K HA 0.611 4.932 4.320 0.001 0.000 0.263 312 K C -0.993 175.276 176.600 -0.552 0.000 0.973 312 K CA -0.424 55.489 56.287 -0.623 0.000 0.846 312 K CB 1.428 33.241 32.500 -1.145 0.000 1.100 312 K HN 0.325 nan 8.250 nan 0.000 0.438 313 I N 1.777 122.078 120.570 -0.449 0.000 2.582 313 I HA 0.433 4.603 4.170 0.001 0.000 0.292 313 I C -0.675 175.420 176.117 -0.037 0.000 1.066 313 I CA -1.352 59.793 61.300 -0.258 0.000 1.053 313 I CB 2.347 40.166 38.000 -0.302 0.000 1.241 313 I HN 0.021 nan 8.210 nan 0.000 0.421 314 V N 3.212 123.138 119.914 0.020 0.000 2.638 314 V HA 0.439 4.559 4.120 0.001 0.000 0.306 314 V C -0.086 176.150 176.094 0.237 0.000 1.052 314 V CA -0.591 61.841 62.300 0.220 0.000 0.885 314 V CB 2.254 34.222 31.823 0.242 0.000 0.999 314 V HN 0.862 nan 8.190 nan 0.000 0.424 315 T N 3.188 117.927 114.554 0.308 0.000 2.799 315 T HA 0.758 5.108 4.350 0.001 0.000 0.286 315 T C -0.610 174.298 174.700 0.348 0.000 0.973 315 T CA -0.614 61.665 62.100 0.298 0.000 1.035 315 T CB 1.128 70.086 68.868 0.149 0.000 0.932 315 T HN 0.181 nan 8.240 nan 0.000 0.469 316 L N 2.783 124.250 121.223 0.407 0.000 2.350 316 L HA 0.621 4.962 4.340 0.001 0.000 0.275 316 L C 0.966 178.062 176.870 0.377 0.000 1.099 316 L CA -0.406 54.642 54.840 0.347 0.000 0.808 316 L CB 0.397 42.642 42.059 0.309 0.000 1.149 316 L HN 0.986 nan 8.230 nan 0.000 0.442 317 A N 2.437 125.403 122.820 0.243 0.000 2.406 317 A HA 0.276 4.596 4.320 0.001 0.000 0.243 317 A C 0.311 178.005 177.584 0.183 0.000 1.082 317 A CA -0.465 51.710 52.037 0.230 0.000 0.786 317 A CB -0.140 18.915 19.000 0.090 0.000 1.029 317 A HN 0.754 nan 8.150 nan 0.000 0.495 318 N N 0.339 119.130 118.700 0.152 0.000 2.416 318 N HA 0.293 5.034 4.740 0.001 0.000 0.246 318 N C 0.161 175.673 175.510 0.004 0.000 1.260 318 N CA 0.892 53.965 53.050 0.038 0.000 0.897 318 N CB 0.584 39.066 38.487 -0.008 0.000 1.110 318 N HN 0.803 nan 8.380 nan 0.000 0.439 319 S N -1.629 114.053 115.700 -0.030 0.000 2.627 319 S HA 0.788 5.258 4.470 0.001 0.000 0.283 319 S C -0.400 174.140 174.600 -0.100 0.000 1.127 319 S CA -0.905 57.227 58.200 -0.112 0.000 0.863 319 S CB 1.758 64.850 63.200 -0.181 0.000 1.121 319 S HN 0.587 nan 8.310 nan 0.000 0.479 320 T N -1.099 113.400 114.554 -0.092 0.000 2.901 320 T HA 0.550 4.900 4.350 0.001 0.000 0.293 320 T C 0.001 174.712 174.700 0.018 0.000 1.084 320 T CA -0.835 61.252 62.100 -0.020 0.000 1.008 320 T CB 1.367 70.252 68.868 0.028 0.000 1.170 320 T HN 0.390 nan 8.240 nan 0.000 0.509 321 N N 0.282 118.990 118.700 0.013 0.000 2.376 321 N HA -0.000 4.740 4.740 0.001 0.000 0.177 321 N C 1.618 177.155 175.510 0.045 0.000 1.024 321 N CA 0.867 53.928 53.050 0.017 0.000 0.893 321 N CB -0.230 38.257 38.487 0.000 0.000 0.980 321 N HN 0.922 nan 8.380 nan 0.000 0.439 322 E N -0.122 120.113 120.200 0.058 0.000 2.204 322 E HA -0.188 4.162 4.350 0.001 0.000 0.195 322 E C 1.601 178.249 176.600 0.080 0.000 0.990 322 E CA 0.641 57.073 56.400 0.053 0.000 0.821 322 E CB -0.210 29.523 29.700 0.054 0.000 0.750 322 E HN 0.268 nan 8.360 nan 0.000 0.477 323 F N 0.859 120.793 119.950 -0.027 0.000 2.102 323 F HA -0.197 4.331 4.527 0.001 0.000 0.298 323 F C 1.971 177.749 175.800 -0.036 0.000 1.105 323 F CA 1.492 59.481 58.000 -0.019 0.000 1.239 323 F CB -0.407 38.586 39.000 -0.011 0.000 0.991 323 F HN -0.084 nan 8.300 nan 0.000 0.474 324 V N 0.402 120.325 119.914 0.015 0.000 2.255 324 V HA -0.340 3.781 4.120 0.001 0.000 0.247 324 V C 2.363 178.366 176.094 -0.151 0.000 1.051 324 V CA 2.278 64.523 62.300 -0.091 0.000 1.018 324 V CB -0.957 30.851 31.823 -0.024 0.000 0.641 324 V HN 0.346 nan 8.190 nan 0.000 0.445 325 E N 0.489 120.634 120.200 -0.091 0.000 2.070 325 E HA -0.241 4.110 4.350 0.001 0.000 0.197 325 E C 1.954 178.478 176.600 -0.126 0.000 1.004 325 E CA 1.935 58.282 56.400 -0.089 0.000 0.805 325 E CB -0.447 29.223 29.700 -0.050 0.000 0.744 325 E HN 0.601 nan 8.360 nan 0.000 0.451 326 I N -0.350 120.130 120.570 -0.151 0.000 2.264 326 I HA -0.254 3.917 4.170 0.001 0.000 0.248 326 I C 2.128 178.101 176.117 -0.240 0.000 1.111 326 I CA 0.814 62.010 61.300 -0.173 0.000 1.382 326 I CB -0.157 37.745 38.000 -0.164 0.000 1.060 326 I HN 0.085 nan 8.210 nan 0.000 0.418 327 V N 0.518 120.223 119.914 -0.348 0.000 2.548 327 V HA -0.158 3.962 4.120 0.001 0.000 0.249 327 V C 2.486 178.444 176.094 -0.228 0.000 1.055 327 V CA 1.372 63.468 62.300 -0.339 0.000 1.065 327 V CB -0.668 30.896 31.823 -0.432 0.000 0.681 327 V HN 0.349 nan 8.190 nan 0.000 0.462 328 R N 0.489 120.874 120.500 -0.191 0.000 2.148 328 R HA -0.037 4.304 4.340 0.001 0.000 0.227 328 R C 1.626 177.850 176.300 -0.127 0.000 1.103 328 R CA 1.227 57.238 56.100 -0.149 0.000 0.983 328 R CB -0.696 29.532 30.300 -0.121 0.000 0.874 328 R HN 0.660 nan 8.270 nan 0.000 0.451 329 N N -0.105 118.521 118.700 -0.122 0.000 2.368 329 N HA 0.113 4.854 4.740 0.001 0.000 0.178 329 N C 0.124 175.576 175.510 -0.095 0.000 1.076 329 N CA -0.039 52.952 53.050 -0.097 0.000 0.889 329 N CB 0.332 38.771 38.487 -0.080 0.000 1.040 329 N HN 0.023 nan 8.380 nan 0.000 0.463 330 A N 1.186 123.939 122.820 -0.112 0.000 2.561 330 A HA 0.282 4.603 4.320 0.001 0.000 0.234 330 A C 1.076 178.605 177.584 -0.092 0.000 1.055 330 A CA 0.786 52.762 52.037 -0.100 0.000 0.756 330 A CB 0.008 18.937 19.000 -0.119 0.000 0.986 330 A HN 0.482 nan 8.150 nan 0.000 0.505 331 E N 1.508 121.664 120.200 -0.073 0.000 2.472 331 E HA 0.216 4.566 4.350 0.001 0.000 0.196 331 E C 0.378 176.940 176.600 -0.063 0.000 1.033 331 E CA 0.644 57.005 56.400 -0.066 0.000 0.886 331 E CB -0.292 29.377 29.700 -0.052 0.000 0.944 331 E HN 1.048 nan 8.360 nan 0.000 0.492 332 N N -4.002 114.658 118.700 -0.066 0.000 3.465 332 N HA 0.207 4.948 4.740 0.001 0.000 0.244 332 N C 1.168 176.641 175.510 -0.062 0.000 1.454 332 N CA 0.279 53.294 53.050 -0.060 0.000 0.865 332 N CB 0.423 38.883 38.487 -0.045 0.000 1.439 332 N HN 0.469 nan 8.380 nan 0.000 0.480 333 L N 0.338 121.528 121.223 -0.054 0.000 1.989 333 L HA -0.135 4.206 4.340 0.001 0.000 0.211 333 L C 2.132 178.978 176.870 -0.041 0.000 1.071 333 L CA 2.977 57.786 54.840 -0.052 0.000 0.749 333 L CB -1.846 40.189 42.059 -0.039 0.000 0.890 333 L HN 0.741 nan 8.230 nan 0.000 0.431 334 D N -1.091 119.290 120.400 -0.030 0.000 2.106 334 D HA -0.262 4.379 4.640 0.001 0.000 0.191 334 D C 1.968 178.253 176.300 -0.024 0.000 0.997 334 D CA 1.748 55.735 54.000 -0.021 0.000 0.834 334 D CB -0.306 40.483 40.800 -0.018 0.000 0.956 334 D HN 0.809 nan 8.370 nan 0.000 0.448 335 E N 0.457 120.638 120.200 -0.032 0.000 2.058 335 E HA -0.163 4.187 4.350 0.001 0.000 0.194 335 E C 2.390 178.966 176.600 -0.039 0.000 0.997 335 E CA 0.513 56.892 56.400 -0.035 0.000 0.801 335 E CB -0.220 29.454 29.700 -0.043 0.000 0.746 335 E HN 0.177 nan 8.360 nan 0.000 0.450 336 L N 0.663 121.853 121.223 -0.055 0.000 2.012 336 L HA -0.267 4.073 4.340 0.001 0.000 0.210 336 L C 2.474 179.326 176.870 -0.029 0.000 1.073 336 L CA 2.306 57.106 54.840 -0.067 0.000 0.748 336 L CB -1.044 40.955 42.059 -0.099 0.000 0.891 336 L HN 0.404 nan 8.230 nan 0.000 0.431 337 D N -0.767 119.624 120.400 -0.015 0.000 2.095 337 D HA -0.281 4.359 4.640 0.001 0.000 0.192 337 D C 2.086 178.403 176.300 0.027 0.000 0.990 337 D CA 2.337 56.349 54.000 0.020 0.000 0.836 337 D CB -0.984 nan 40.800 nan 0.000 0.979 337 D HN 0.612 nan 8.370 nan 0.000 0.447 338 S N -0.535 115.171 115.700 0.011 0.000 2.370 338 S HA -0.227 4.244 4.470 0.001 0.000 0.226 338 S C 2.267 176.874 174.600 0.012 0.000 1.033 338 S CA 2.011 60.217 58.200 0.010 0.000 1.011 338 S CB -0.499 62.701 63.200 0.001 0.000 0.852 338 S HN 0.548 nan 8.310 nan 0.000 0.457 339 M N 0.747 120.349 119.600 0.002 0.000 2.213 339 M HA 0.137 4.618 4.480 0.001 0.000 0.263 339 M C 0.380 176.695 176.300 0.024 0.000 1.062 339 M CA 1.214 56.514 55.300 0.000 0.000 1.105 339 M CB -0.310 32.276 32.600 -0.024 0.000 1.385 339 M HN 0.291 nan 8.290 nan 0.000 0.417 340 L N 1.895 123.145 121.223 0.045 0.000 2.533 340 L HA 0.183 4.523 4.340 0.001 0.000 0.239 340 L C 0.052 176.968 176.870 0.077 0.000 1.376 340 L CA -0.365 54.533 54.840 0.097 0.000 1.240 340 L CB -0.821 41.336 42.059 0.162 0.000 1.487 340 L HN 0.207 nan 8.230 nan 0.000 0.419 341 E N 0.885 121.117 120.200 0.053 0.000 2.621 341 E HA 0.673 5.024 4.350 0.001 0.000 0.263 341 E C -0.308 176.312 176.600 0.033 0.000 1.033 341 E CA -0.505 55.916 56.400 0.036 0.000 0.778 341 E CB 1.061 nan 29.700 nan 0.000 1.426 341 E HN 0.445 nan 8.360 nan 0.000 0.394 342 R N 0.177 120.700 120.500 0.038 0.000 2.534 342 R HA 0.935 5.275 4.340 0.001 0.000 0.301 342 R C 0.100 176.415 176.300 0.026 0.000 0.961 342 R CA 0.168 56.289 56.100 0.034 0.000 0.871 342 R CB 0.445 30.774 30.300 0.047 0.000 1.170 342 R HN 1.219 nan 8.270 nan 0.000 0.446 350 S N -0.975 114.744 115.700 0.032 0.000 2.910 350 S HA 0.381 4.851 4.470 0.001 0.000 0.857 350 S C -0.067 174.571 174.600 0.064 0.000 0.917 350 S CA -0.029 58.194 58.200 0.039 0.000 1.426 350 S CB -1.662 61.559 63.200 0.034 0.000 1.021 350 S HN 2.098 nan 8.310 nan 0.000 0.237 351 V N 4.596 124.563 119.914 0.087 0.000 2.509 351 V HA 0.878 4.998 4.120 0.001 0.000 0.284 351 V C 1.018 177.224 176.094 0.186 0.000 1.047 351 V CA 0.459 62.842 62.300 0.137 0.000 0.952 351 V CB 1.178 33.105 31.823 0.173 0.000 0.988 351 V HN 1.727 nan 8.190 nan 0.000 0.469 352 T N -0.457 114.162 114.554 0.108 0.000 2.831 352 T HA 0.215 4.565 4.350 0.001 0.000 0.287 352 T C 1.159 175.645 174.700 -0.357 0.000 1.070 352 T CA -0.025 62.011 62.100 -0.107 0.000 1.010 352 T CB 1.197 70.026 68.868 -0.066 0.000 1.264 352 T HN 0.826 nan 8.240 nan 0.000 0.532 353 C N -1.853 116.912 119.300 -0.892 0.000 2.430 353 C HA 0.151 4.612 4.460 0.001 0.000 0.288 353 C C 1.499 176.179 174.990 -0.516 0.000 1.448 353 C CA -0.371 58.125 59.018 -0.870 0.000 1.784 353 C CB -2.111 24.978 27.740 -1.085 0.000 1.776 353 C HN 0.784 nan 8.230 nan 0.000 0.547 354 W N 1.262 122.474 121.300 -0.146 0.000 3.239 354 W HA 0.301 4.961 4.660 0.001 0.000 0.368 354 W C 1.976 178.485 176.519 -0.016 0.000 1.154 354 W CA -0.177 57.139 57.345 -0.048 0.000 1.860 354 W CB -0.138 29.295 29.460 -0.046 0.000 1.094 354 W HN 0.133 nan 8.180 nan 0.000 0.643 355 S N 0.475 116.260 115.700 0.142 0.000 2.528 355 S HA -0.001 4.469 4.470 0.001 0.000 0.219 355 S C 0.688 175.349 174.600 0.102 0.000 0.985 355 S CA 0.321 58.595 58.200 0.123 0.000 0.914 355 S CB -0.105 63.163 63.200 0.113 0.000 0.776 355 S HN 0.246 nan 8.310 nan 0.000 0.526 356 Q N 0.158 120.015 119.800 0.095 0.000 2.522 356 Q HA 0.414 4.755 4.340 0.001 0.000 0.285 356 Q C -3.597 172.454 176.000 0.086 0.000 0.982 356 Q CA -2.325 53.518 55.803 0.067 0.000 0.805 356 Q CB 0.607 29.391 28.738 0.077 0.000 1.457 356 Q HN -0.090 nan 8.270 nan 0.000 0.394 357 P HA 0.358 nan 4.420 nan 0.000 0.271 357 P C -0.669 176.731 177.300 0.166 0.000 1.218 357 P CA -0.195 62.989 63.100 0.142 0.000 0.780 357 P CB 0.820 32.600 31.700 0.134 0.000 0.901 358 L N 2.473 123.822 121.223 0.210 0.000 2.410 358 L HA 0.466 4.807 4.340 0.001 0.000 0.270 358 L C -0.480 176.542 176.870 0.254 0.000 0.983 358 L CA -0.911 54.031 54.840 0.171 0.000 0.822 358 L CB 2.021 44.148 42.059 0.114 0.000 1.285 358 L HN 0.282 nan 8.230 nan 0.000 0.409 359 F N 3.604 123.550 119.950 -0.007 0.000 2.388 359 F HA 0.599 5.126 4.527 0.001 0.000 0.358 359 F C -1.101 174.656 175.800 -0.072 0.000 1.122 359 F CA -0.677 57.358 58.000 0.060 0.000 1.056 359 F CB 0.620 39.678 39.000 0.097 0.000 1.155 359 F HN 0.089 nan 8.300 nan 0.000 0.461 360 F N 5.204 124.812 119.950 -0.570 0.000 2.443 360 F HA 0.568 5.096 4.527 0.001 0.000 0.335 360 F C -0.389 174.868 175.800 -0.904 0.000 1.104 360 F CA -1.130 56.532 58.000 -0.563 0.000 1.013 360 F CB 1.659 40.427 39.000 -0.387 0.000 1.136 360 F HN 0.058 nan 8.300 nan 0.000 0.470 361 V N 3.083 122.722 119.914 -0.458 0.000 2.328 361 V HA 0.170 4.291 4.120 0.001 0.000 0.278 361 V C 0.023 175.897 176.094 -0.367 0.000 1.021 361 V CA -1.002 61.057 62.300 -0.401 0.000 0.838 361 V CB 1.132 32.879 31.823 -0.128 0.000 0.999 361 V HN 0.789 nan 8.190 nan 0.000 0.447 362 N N 5.149 123.560 118.700 -0.481 0.000 2.466 362 N HA 0.132 4.872 4.740 0.001 0.000 0.263 362 N C 0.999 176.445 175.510 -0.108 0.000 1.178 362 N CA -0.442 52.324 53.050 -0.473 0.000 0.983 362 N CB 0.449 38.669 38.487 -0.444 0.000 1.331 362 N HN 0.702 nan 8.380 nan 0.000 0.500 363 L N 2.021 123.264 121.223 0.032 0.000 2.549 363 L HA -0.137 4.204 4.340 0.001 0.000 0.230 363 L C 2.390 179.355 176.870 0.159 0.000 1.162 363 L CA 0.272 55.161 54.840 0.082 0.000 0.834 363 L CB -0.387 41.796 42.059 0.207 0.000 0.947 363 L HN 0.557 nan 8.230 nan 0.000 0.452 364 S N 0.444 116.292 115.700 0.247 0.000 2.345 364 S HA -0.218 4.252 4.470 0.001 0.000 0.220 364 S C 2.082 176.746 174.600 0.106 0.000 1.031 364 S CA 1.469 59.801 58.200 0.222 0.000 0.996 364 S CB 0.029 63.422 63.200 0.323 0.000 0.882 364 S HN 0.405 nan 8.310 nan 0.000 0.445 365 K N 0.418 120.870 120.400 0.086 0.000 2.211 365 K HA -0.039 4.282 4.320 0.001 0.000 0.203 365 K C 2.015 178.637 176.600 0.037 0.000 1.050 365 K CA 1.578 57.892 56.287 0.044 0.000 0.945 365 K CB -0.191 32.326 32.500 0.028 0.000 0.732 365 K HN 0.534 nan 8.250 nan 0.000 0.451 366 S N -1.212 114.502 115.700 0.023 0.000 2.470 366 S HA -0.039 4.431 4.470 0.001 0.000 0.222 366 S C 1.643 176.279 174.600 0.060 0.000 1.024 366 S CA 0.797 59.011 58.200 0.023 0.000 0.931 366 S CB 0.386 63.548 63.200 -0.064 0.000 0.791 366 S HN 0.424 nan 8.310 nan 0.000 0.513 367 T N -4.308 110.287 114.554 0.068 0.000 3.041 367 T HA 0.573 4.923 4.350 0.001 0.000 0.276 367 T C 1.518 176.273 174.700 0.090 0.000 0.948 367 T CA 0.767 62.928 62.100 0.102 0.000 0.885 367 T CB 0.349 69.307 68.868 0.149 0.000 1.175 367 T HN 1.113 nan 8.240 nan 0.000 0.529 368 G N 1.367 110.219 108.800 0.088 0.000 2.299 368 G HA2 -0.257 3.703 3.960 0.001 0.000 0.237 368 G HA3 -0.257 3.703 3.960 0.001 0.000 0.237 368 G C 0.083 175.046 174.900 0.105 0.000 1.027 368 G CA -0.094 45.050 45.100 0.073 0.000 0.619 368 G HN 0.832 nan 8.290 nan 0.000 0.513 369 V N 2.003 122.008 119.914 0.151 0.000 2.572 369 V HA 0.498 4.619 4.120 0.001 0.000 0.291 369 V C 1.308 177.596 176.094 0.323 0.000 1.039 369 V CA 0.407 62.834 62.300 0.211 0.000 1.055 369 V CB 1.351 33.309 31.823 0.226 0.000 0.969 369 V HN 1.259 nan 8.190 nan 0.000 0.482 370 A N 4.597 127.628 122.820 0.352 0.000 3.048 370 A HA 0.524 4.844 4.320 0.001 0.000 0.264 370 A C 0.527 178.539 177.584 0.713 0.000 1.796 370 A CA 0.062 52.419 52.037 0.533 0.000 1.445 370 A CB -0.624 18.620 19.000 0.405 0.000 1.074 370 A HN 0.757 nan 8.150 nan 0.000 0.621 371 S N 0.029 116.154 115.700 0.709 0.000 2.556 371 S HA 0.712 5.182 4.470 0.001 0.000 0.271 371 S C -1.246 173.805 174.600 0.751 0.000 1.135 371 S CA -0.514 58.061 58.200 0.625 0.000 0.858 371 S CB 1.011 64.482 63.200 0.453 0.000 1.114 371 S HN 0.313 nan 8.310 nan 0.000 0.468 372 F N 2.171 122.286 119.950 0.276 0.000 2.427 372 F HA 0.530 5.057 4.527 0.001 0.000 0.346 372 F C 0.166 176.056 175.800 0.149 0.000 1.120 372 F CA -1.411 56.716 58.000 0.211 0.000 1.033 372 F CB 1.451 40.613 39.000 0.269 0.000 1.126 372 F HN 0.425 nan 8.300 nan 0.000 0.462 373 M N 6.345 126.061 119.600 0.194 0.000 2.061 373 M HA 0.418 4.899 4.480 0.001 0.000 0.346 373 M C -1.152 175.168 176.300 0.034 0.000 1.112 373 M CA -0.148 55.194 55.300 0.070 0.000 1.021 373 M CB 0.877 33.510 32.600 0.056 0.000 1.530 373 M HN 0.702 nan 8.290 nan 0.000 0.437 374 M N 4.531 124.127 119.600 -0.007 0.000 2.423 374 M HA 0.507 4.988 4.480 0.001 0.000 0.335 374 M C -1.938 174.340 176.300 -0.037 0.000 1.177 374 M CA -0.812 54.379 55.300 -0.181 0.000 1.038 374 M CB 1.338 33.711 32.600 -0.378 0.000 1.641 374 M HN 0.659 nan 8.290 nan 0.000 0.455 375 L N 5.255 126.504 121.223 0.043 0.000 2.346 375 L HA 0.648 4.989 4.340 0.001 0.000 0.276 375 L C -0.248 176.691 176.870 0.116 0.000 1.006 375 L CA -0.239 54.697 54.840 0.160 0.000 0.817 375 L CB 1.920 44.173 42.059 0.324 0.000 1.272 375 L HN 0.829 nan 8.230 nan 0.000 0.421 376 M N 1.564 121.234 119.600 0.117 0.000 2.719 376 M HA 0.812 5.293 4.480 0.001 0.000 0.291 376 M C -1.246 175.117 176.300 0.104 0.000 1.264 376 M CA -0.747 54.628 55.300 0.125 0.000 0.811 376 M CB 2.489 35.181 32.600 0.153 0.000 1.756 376 M HN 0.533 nan 8.290 nan 0.000 0.464 377 Q N 1.453 121.309 119.800 0.093 0.000 2.587 377 Q HA 0.792 5.132 4.340 0.001 0.000 0.293 377 Q C -1.553 174.467 176.000 0.033 0.000 1.083 377 Q CA -0.750 55.094 55.803 0.069 0.000 0.792 377 Q CB 1.727 30.519 28.738 0.090 0.000 1.484 377 Q HN 0.967 nan 8.270 nan 0.000 0.446 378 A N 1.782 124.612 122.820 0.018 0.000 2.425 378 A HA 0.427 4.747 4.320 0.001 0.000 0.249 378 A C -1.671 175.903 177.584 -0.016 0.000 1.084 378 A CA -0.878 51.144 52.037 -0.025 0.000 0.781 378 A CB -0.100 18.895 19.000 -0.007 0.000 1.019 378 A HN 0.703 nan 8.150 nan 0.000 0.490 379 P HA -0.019 nan 4.420 nan 0.000 0.245 379 P C 1.359 178.424 177.300 -0.392 0.000 1.206 379 P CA 0.114 63.083 63.100 -0.217 0.000 0.781 379 P CB 0.223 31.819 31.700 -0.174 0.000 0.994 380 L N 0.281 121.418 121.223 -0.142 0.000 2.012 380 L HA -0.139 4.202 4.340 0.001 0.000 0.210 380 L C 2.059 178.884 176.870 -0.075 0.000 1.073 380 L CA 2.097 56.903 54.840 -0.056 0.000 0.748 380 L CB -1.201 40.910 42.059 0.087 0.000 0.891 380 L HN 0.027 nan 8.230 nan 0.000 0.431 381 T N 0.397 114.926 114.554 -0.042 0.000 2.597 381 T HA -0.241 4.110 4.350 0.001 0.000 0.267 381 T C 1.589 176.266 174.700 -0.039 0.000 1.053 381 T CA 1.963 64.059 62.100 -0.006 0.000 1.165 381 T CB -0.491 68.385 68.868 0.014 0.000 0.863 381 T HN 0.499 nan 8.240 nan 0.000 0.427 382 N N 0.694 119.329 118.700 -0.109 0.000 2.094 382 N HA -0.165 4.575 4.740 0.001 0.000 0.191 382 N C 1.740 177.243 175.510 -0.013 0.000 1.023 382 N CA 1.552 54.550 53.050 -0.087 0.000 0.857 382 N CB -0.469 37.930 38.487 -0.146 0.000 1.013 382 N HN 0.648 nan 8.380 nan 0.000 0.426 383 H N 0.704 119.751 119.070 -0.039 0.000 2.299 383 H HA 0.058 4.615 4.556 0.001 0.000 0.302 383 H C 2.123 177.382 175.328 -0.115 0.000 1.078 383 H CA 0.452 56.451 56.048 -0.080 0.000 1.323 383 H CB 0.175 29.875 29.762 -0.103 0.000 1.381 383 H HN 0.068 nan 8.280 nan 0.000 0.498 384 I N 1.537 122.108 120.570 0.001 0.000 2.286 384 I HA -0.208 3.963 4.170 0.001 0.000 0.248 384 I C 1.912 178.017 176.117 -0.019 0.000 1.115 384 I CA 1.411 62.682 61.300 -0.048 0.000 1.392 384 I CB -0.889 37.130 38.000 0.031 0.000 1.065 384 I HN 0.412 nan 8.210 nan 0.000 0.418 385 E N 0.218 120.411 120.200 -0.011 0.000 2.208 385 E HA -0.105 4.245 4.350 0.001 0.000 0.193 385 E C 2.211 178.791 176.600 -0.035 0.000 0.988 385 E CA 0.889 57.271 56.400 -0.031 0.000 0.828 385 E CB -0.003 29.679 29.700 -0.031 0.000 0.763 385 E HN 0.348 nan 8.360 nan 0.000 0.478 386 S N 1.102 116.792 115.700 -0.017 0.000 2.423 386 S HA -0.061 4.409 4.470 0.001 0.000 0.231 386 S C 1.756 176.338 174.600 -0.031 0.000 1.014 386 S CA 0.683 58.872 58.200 -0.018 0.000 0.965 386 S CB -0.095 63.107 63.200 0.003 0.000 0.785 386 S HN 0.378 nan 8.310 nan 0.000 0.495 387 I N 0.134 120.682 120.570 -0.037 0.000 3.736 387 I HA 0.326 4.496 4.170 0.001 0.000 0.338 387 I C 1.465 177.563 176.117 -0.032 0.000 1.558 387 I CA -0.458 60.819 61.300 -0.037 0.000 1.147 387 I CB 0.065 38.035 38.000 -0.049 0.000 1.275 387 I HN 0.059 nan 8.210 nan 0.000 0.454 388 R N 0.445 120.920 120.500 -0.043 0.000 2.152 388 R HA -0.050 4.291 4.340 0.001 0.000 0.232 388 R C 0.833 177.103 176.300 -0.051 0.000 1.117 388 R CA 1.102 57.169 56.100 -0.054 0.000 0.981 388 R CB -0.379 29.874 30.300 -0.078 0.000 0.870 388 R HN 0.416 nan 8.270 nan 0.000 0.451 389 E N 1.039 121.214 120.200 -0.042 0.000 2.435 389 E HA -0.043 4.308 4.350 0.001 0.000 0.195 389 E C -0.184 176.403 176.600 -0.022 0.000 1.029 389 E CA 0.410 56.789 56.400 -0.035 0.000 0.865 389 E CB -0.019 29.661 29.700 -0.033 0.000 0.833 389 E HN 0.286 nan 8.360 nan 0.000 0.510 390 D N 1.434 121.827 120.400 -0.012 0.000 2.524 390 D HA 0.028 4.668 4.640 0.001 0.000 0.222 390 D C 0.847 177.164 176.300 0.029 0.000 1.142 390 D CA -0.179 53.825 54.000 0.007 0.000 0.973 390 D CB 0.348 41.153 40.800 0.009 0.000 1.025 390 D HN -0.273 nan 8.370 nan 0.000 0.519 391 K N 1.851 122.263 120.400 0.020 0.000 2.103 391 K HA -0.160 4.160 4.320 0.001 0.000 0.207 391 K C 1.559 178.223 176.600 0.107 0.000 1.048 391 K CA 0.937 57.247 56.287 0.039 0.000 0.930 391 K CB 0.109 32.605 32.500 -0.005 0.000 0.716 391 K HN 0.510 nan 8.250 nan 0.000 0.444 392 E N 0.519 120.774 120.200 0.091 0.000 2.023 392 E HA -0.183 4.168 4.350 0.001 0.000 0.196 392 E C 2.242 178.962 176.600 0.199 0.000 1.003 392 E CA 1.210 57.695 56.400 0.141 0.000 0.809 392 E CB -0.092 29.662 29.700 0.090 0.000 0.755 392 E HN 0.200 nan 8.360 nan 0.000 0.449 393 R N 0.544 121.126 120.500 0.136 0.000 2.120 393 R HA -0.131 4.210 4.340 0.001 0.000 0.234 393 R C 2.267 178.680 176.300 0.189 0.000 1.123 393 R CA 0.865 57.043 56.100 0.131 0.000 0.975 393 R CB -0.120 30.219 30.300 0.066 0.000 0.866 393 R HN 0.173 nan 8.270 nan 0.000 0.446 394 L N -0.386 120.966 121.223 0.215 0.000 2.056 394 L HA -0.163 4.178 4.340 0.001 0.000 0.207 394 L C 2.232 179.403 176.870 0.501 0.000 1.078 394 L CA 1.022 56.065 54.840 0.338 0.000 0.749 394 L CB -0.460 41.742 42.059 0.238 0.000 0.901 394 L HN 0.210 nan 8.230 nan 0.000 0.433 395 F N 0.389 120.491 119.950 0.253 0.000 2.113 395 F HA -0.206 4.321 4.527 0.001 0.000 0.297 395 F C 2.645 178.582 175.800 0.228 0.000 1.103 395 F CA 1.652 59.800 58.000 0.246 0.000 1.248 395 F CB -0.355 38.726 39.000 0.136 0.000 0.999 395 F HN -0.098 nan 8.300 nan 0.000 0.475 396 S N 0.215 115.970 115.700 0.091 0.000 2.383 396 S HA -0.214 4.256 4.470 0.001 0.000 0.229 396 S C 1.866 176.433 174.600 -0.055 0.000 1.030 396 S CA 1.451 59.621 58.200 -0.049 0.000 1.002 396 S CB -0.830 62.420 63.200 0.084 0.000 0.829 396 S HN 0.506 nan 8.310 nan 0.000 0.467 397 F N 1.151 121.039 119.950 -0.103 0.000 2.075 397 F HA -0.038 4.490 4.527 0.001 0.000 0.297 397 F C 1.496 177.087 175.800 -0.349 0.000 1.113 397 F CA 1.414 59.269 58.000 -0.242 0.000 1.218 397 F CB -0.320 38.486 39.000 -0.323 0.000 0.984 397 F HN 0.174 nan 8.300 nan 0.000 0.472 398 F N 0.078 120.035 119.950 0.012 0.000 2.743 398 F HA 0.030 4.557 4.527 0.001 0.000 0.297 398 F C 2.393 178.025 175.800 -0.281 0.000 1.131 398 F CA 0.627 58.561 58.000 -0.111 0.000 1.426 398 F CB -0.817 38.308 39.000 0.208 0.000 1.116 398 F HN 0.076 nan 8.300 nan 0.000 0.583 399 Q N 2.016 121.650 119.800 -0.277 0.000 2.029 399 Q HA -0.214 4.126 4.340 0.001 0.000 0.209 399 Q C -0.604 175.253 176.000 -0.240 0.000 0.999 399 Q CA 2.435 57.977 55.803 -0.434 0.000 0.857 399 Q CB -1.325 26.957 28.738 -0.760 0.000 0.926 399 Q HN 0.156 nan 8.270 nan 0.000 0.415 400 P HA -0.183 nan 4.420 nan 0.000 0.216 400 P C 1.543 178.813 177.300 -0.051 0.000 1.154 400 P CA 2.349 65.415 63.100 -0.056 0.000 0.865 400 P CB -0.400 31.316 31.700 0.027 0.000 0.789 401 V N -3.644 116.090 119.914 -0.300 0.000 2.719 401 V HA -0.062 4.059 4.120 0.001 0.000 0.252 401 V C 2.610 178.531 176.094 -0.289 0.000 1.065 401 V CA 0.965 63.020 62.300 -0.408 0.000 1.086 401 V CB -1.729 29.720 31.823 -0.623 0.000 0.700 401 V HN -0.057 nan 8.190 nan 0.000 0.467 402 L N 0.615 121.688 121.223 -0.250 0.000 2.201 402 L HA -0.029 4.311 4.340 0.001 0.000 0.212 402 L C 2.560 179.297 176.870 -0.221 0.000 1.105 402 L CA 1.269 55.930 54.840 -0.298 0.000 0.775 402 L CB -0.565 41.344 42.059 -0.250 0.000 0.913 402 L HN 0.377 nan 8.230 nan 0.000 0.440 403 N N -0.101 118.522 118.700 -0.128 0.000 2.290 403 N HA -0.137 4.603 4.740 0.001 0.000 0.179 403 N C 1.781 177.261 175.510 -0.049 0.000 1.016 403 N CA 0.765 53.773 53.050 -0.069 0.000 0.871 403 N CB 0.019 38.494 38.487 -0.019 0.000 0.987 403 N HN 0.078 nan 8.380 nan 0.000 0.431 404 K N 1.604 122.002 120.400 -0.003 0.000 2.057 404 K HA 0.075 4.395 4.320 0.001 0.000 0.207 404 K C 1.899 178.481 176.600 -0.030 0.000 1.049 404 K CA 0.809 57.129 56.287 0.054 0.000 0.931 404 K CB -0.356 32.298 32.500 0.257 0.000 0.714 404 K HN 0.128 nan 8.250 nan 0.000 0.440 405 I N 0.076 120.561 120.570 -0.141 0.000 2.179 405 I HA -0.288 3.882 4.170 0.001 0.000 0.242 405 I C 2.106 178.128 176.117 -0.158 0.000 1.088 405 I CA 1.021 62.196 61.300 -0.209 0.000 1.357 405 I CB -0.294 37.472 38.000 -0.390 0.000 1.051 405 I HN 0.190 nan 8.210 nan 0.000 0.409 406 M N 0.475 119.971 119.600 -0.173 0.000 2.149 406 M HA -0.236 4.244 4.480 0.001 0.000 0.261 406 M C 2.269 178.543 176.300 -0.043 0.000 1.064 406 M CA 1.703 56.927 55.300 -0.127 0.000 1.102 406 M CB -1.180 31.332 32.600 -0.146 0.000 1.369 406 M HN 0.218 nan 8.290 nan 0.000 0.408 407 K N -0.048 120.330 120.400 -0.035 0.000 2.001 407 K HA -0.130 4.190 4.320 0.001 0.000 0.208 407 K C 1.846 178.445 176.600 -0.002 0.000 1.048 407 K CA 1.692 57.974 56.287 -0.008 0.000 0.932 407 K CB -0.067 32.432 32.500 -0.001 0.000 0.715 407 K HN 0.342 nan 8.250 nan 0.000 0.437 408 C N 1.118 120.412 119.300 -0.010 0.000 2.485 408 C HA 0.055 4.515 4.460 0.001 0.000 0.283 408 C C 1.539 176.529 174.990 -0.000 0.000 1.478 408 C CA 0.261 59.277 59.018 -0.003 0.000 1.741 408 C CB -1.068 26.669 27.740 -0.005 0.000 1.675 408 C HN 0.442 nan 8.230 nan 0.000 0.573 409 L N 0.227 121.453 121.223 0.005 0.000 3.066 409 L HA 0.195 4.535 4.340 0.001 0.000 0.265 409 L C -0.515 176.399 176.870 0.074 0.000 1.232 409 L CA 0.057 54.922 54.840 0.042 0.000 1.031 409 L CB -0.223 41.867 42.059 0.052 0.000 1.379 409 L HN 0.207 nan 8.230 nan 0.000 0.563 410 D N 1.021 121.449 120.400 0.046 0.000 3.133 410 D HA -0.158 4.482 4.640 0.001 0.000 0.239 410 D C 0.030 176.364 176.300 0.057 0.000 1.136 410 D CA 1.029 55.055 54.000 0.044 0.000 0.898 410 D CB -0.596 40.227 40.800 0.039 0.000 0.959 410 D HN 0.397 nan 8.370 nan 0.000 0.415 411 S N -0.431 115.297 115.700 0.047 0.000 2.755 411 S HA 0.563 5.033 4.470 0.001 0.000 0.286 411 S C -1.311 173.304 174.600 0.025 0.000 1.207 411 S CA -0.168 58.062 58.200 0.050 0.000 0.892 411 S CB 1.772 65.027 63.200 0.091 0.000 1.240 411 S HN 0.386 nan 8.310 nan 0.000 0.525 412 E N 0.336 120.549 120.200 0.020 0.000 2.428 412 E HA 0.611 4.961 4.350 0.001 0.000 0.259 412 E C -1.376 175.227 176.600 0.005 0.000 0.930 412 E CA -0.882 55.526 56.400 0.013 0.000 0.823 412 E CB 0.144 29.857 29.700 0.021 0.000 1.403 412 E HN 0.378 nan 8.360 nan 0.000 0.415 413 D N 0.226 120.636 120.400 0.016 0.000 2.443 413 D HA 0.074 4.714 4.640 0.001 0.000 0.234 413 D C -0.268 176.060 176.300 0.047 0.000 1.172 413 D CA -0.014 54.002 54.000 0.026 0.000 0.878 413 D CB 0.668 41.493 40.800 0.042 0.000 1.204 413 D HN 0.219 nan 8.370 nan 0.000 0.453 414 V N 2.504 122.464 119.914 0.077 0.000 2.583 414 V HA 0.146 4.267 4.120 0.001 0.000 0.287 414 V C 0.738 176.958 176.094 0.209 0.000 1.051 414 V CA -0.357 62.034 62.300 0.151 0.000 1.010 414 V CB 0.787 32.747 31.823 0.228 0.000 0.988 414 V HN 0.312 nan 8.190 nan 0.000 0.478 415 I N 3.688 124.350 120.570 0.153 0.000 2.331 415 I HA 0.237 4.407 4.170 0.001 0.000 0.292 415 I C 0.179 176.276 176.117 -0.033 0.000 0.998 415 I CA -0.342 61.005 61.300 0.078 0.000 1.267 415 I CB 1.310 39.342 38.000 0.052 0.000 1.386 415 I HN 0.543 nan 8.210 nan 0.000 0.476 416 D N 6.059 126.340 120.400 -0.198 0.000 2.402 416 D HA 0.143 4.784 4.640 0.001 0.000 0.235 416 D C 0.649 176.785 176.300 -0.274 0.000 1.226 416 D CA 0.000 53.704 54.000 -0.495 0.000 0.918 416 D CB 0.906 41.226 40.800 -0.800 0.000 1.043 416 D HN 0.729 nan 8.370 nan 0.000 0.506 417 G N 3.355 112.025 108.800 -0.216 0.000 3.936 417 G HA2 0.064 4.025 3.960 0.001 0.000 0.296 417 G HA3 0.064 4.025 3.960 0.001 0.000 0.296 417 G C 1.240 176.036 174.900 -0.172 0.000 1.121 417 G CA -0.273 44.737 45.100 -0.149 0.000 0.899 417 G HN 0.447 nan 8.290 nan 0.000 0.542 418 M N -0.380 119.094 119.600 -0.210 0.000 2.476 418 M HA 0.126 4.606 4.480 0.001 0.000 0.262 418 M C 1.387 177.615 176.300 -0.120 0.000 1.079 418 M CA 0.938 56.130 55.300 -0.181 0.000 1.104 418 M CB 0.270 32.760 32.600 -0.184 0.000 1.409 418 M HN 0.005 nan 8.290 nan 0.000 0.467 419 R N 1.219 121.656 120.500 -0.106 0.000 2.983 419 R HA 0.272 4.612 4.340 0.001 0.000 0.300 419 R C -2.334 173.933 176.300 -0.055 0.000 1.367 419 R CA -1.496 54.564 56.100 -0.066 0.000 1.564 419 R CB 0.188 30.454 30.300 -0.057 0.000 1.314 419 R HN 0.082 nan 8.270 nan 0.000 0.622 420 P HA -0.128 nan 4.420 nan 0.000 0.270 420 P C -0.308 176.982 177.300 -0.016 0.000 1.167 420 P CA 0.616 63.698 63.100 -0.031 0.000 0.759 420 P CB 0.899 32.594 31.700 -0.008 0.000 0.777 421 I N 0.761 121.325 120.570 -0.010 0.000 2.606 421 I HA 0.112 4.282 4.170 0.001 0.000 0.275 421 I C 0.485 176.605 176.117 0.004 0.000 1.220 421 I CA -0.493 60.805 61.300 -0.003 0.000 1.098 421 I CB 0.919 38.915 38.000 -0.008 0.000 1.321 421 I HN 0.442 nan 8.210 nan 0.000 0.468 422 E N 4.611 124.818 120.200 0.012 0.000 2.568 422 E HA -0.024 4.327 4.350 0.001 0.000 0.262 422 E C -0.038 176.570 176.600 0.013 0.000 0.961 422 E CA 0.878 57.288 56.400 0.017 0.000 0.945 422 E CB 0.708 30.420 29.700 0.019 0.000 0.924 422 E HN 0.409 nan 8.360 nan 0.000 0.467 423 N N 2.245 120.954 118.700 0.016 0.000 2.648 423 N HA 0.051 4.791 4.740 0.001 0.000 0.272 423 N C 0.227 175.747 175.510 0.017 0.000 1.118 423 N CA 0.190 53.248 53.050 0.014 0.000 0.973 423 N CB 0.928 39.423 38.487 0.012 0.000 1.565 423 N HN 0.352 nan 8.380 nan 0.000 0.542 424 I N 2.596 123.175 120.570 0.015 0.000 2.264 424 I HA -0.134 4.036 4.170 0.001 0.000 0.248 424 I C 2.421 178.547 176.117 0.016 0.000 1.111 424 I CA 2.413 63.722 61.300 0.015 0.000 1.382 424 I CB -1.567 nan 38.000 nan 0.000 1.060 424 I HN 0.748 nan 8.210 nan 0.000 0.418 425 A N 1.075 123.904 122.820 0.015 0.000 1.971 425 A HA -0.278 4.042 4.320 0.001 0.000 0.222 425 A C 1.562 179.158 177.584 0.019 0.000 1.182 425 A CA 1.824 53.870 52.037 0.016 0.000 0.649 425 A CB -1.187 17.823 19.000 0.016 0.000 0.818 425 A HN 0.800 nan 8.150 nan 0.000 0.458 426 N N 0.528 119.242 118.700 0.022 0.000 3.210 426 N HA 0.303 5.043 4.740 0.001 0.000 0.314 426 N C 1.015 176.541 175.510 0.027 0.000 1.291 426 N CA 0.684 53.751 53.050 0.028 0.000 1.202 426 N CB 0.150 38.657 38.487 0.033 0.000 1.475 426 N HN 0.517 nan 8.380 nan 0.000 0.554 427 A N 1.549 124.381 122.820 0.020 0.000 1.821 427 A HA -0.126 4.194 4.320 0.001 0.000 0.215 427 A C 1.783 179.374 177.584 0.011 0.000 1.214 427 A CA 1.693 53.739 52.037 0.014 0.000 0.608 427 A CB -0.898 nan 19.000 nan 0.000 0.862 427 A HN 0.539 nan 8.150 nan 0.000 0.448 428 N N 0.556 119.262 118.700 0.009 0.000 2.380 428 N HA 0.299 5.040 4.740 0.001 0.000 0.255 428 N C -0.056 175.464 175.510 0.017 0.000 1.158 428 N CA -0.265 52.787 53.050 0.003 0.000 0.878 428 N CB -0.015 38.470 38.487 -0.003 0.000 1.138 428 N HN 0.356 nan 8.380 nan 0.000 0.509 429 K N 1.657 122.075 120.400 0.029 0.000 2.159 429 K HA 0.433 4.754 4.320 0.001 0.000 0.266 429 K C -2.821 173.814 176.600 0.058 0.000 0.975 429 K CA -2.029 54.282 56.287 0.040 0.000 0.865 429 K CB 2.198 34.723 32.500 0.041 0.000 1.087 429 K HN 0.200 nan 8.250 nan 0.000 0.446 430 P HA 0.114 nan 4.420 nan 0.000 0.276 430 P C -0.517 176.877 177.300 0.156 0.000 1.243 430 P CA -0.353 62.783 63.100 0.060 0.000 0.768 430 P CB 0.686 32.318 31.700 -0.112 0.000 0.856 431 V N 5.482 125.558 119.914 0.270 0.000 2.350 431 V HA 0.141 4.262 4.120 0.001 0.000 0.285 431 V C 0.472 176.747 176.094 0.303 0.000 1.014 431 V CA -0.890 61.550 62.300 0.234 0.000 0.831 431 V CB 1.271 33.165 31.823 0.117 0.000 1.000 431 V HN 0.450 nan 8.190 nan 0.000 0.433 432 L N 6.507 127.825 121.223 0.159 0.000 2.426 432 L HA 0.447 4.787 4.340 0.001 0.000 0.271 432 L C 1.155 177.865 176.870 -0.268 0.000 1.169 432 L CA 0.863 55.574 54.840 -0.214 0.000 0.836 432 L CB 0.503 42.440 42.059 -0.204 0.000 1.112 432 L HN 0.524 nan 8.230 nan 0.000 0.465 433 R N 2.683 122.935 120.500 -0.412 0.000 2.383 433 R HA 0.295 4.635 4.340 0.001 0.000 0.205 433 R C -0.051 176.010 176.300 -0.398 0.000 0.875 433 R CA 0.082 55.891 56.100 -0.485 0.000 1.039 433 R CB 0.005 29.708 30.300 -0.994 0.000 1.267 433 R HN 0.807 nan 8.270 nan 0.000 0.635 434 N N -0.013 118.471 118.700 -0.360 0.000 2.591 434 N HA 0.424 5.165 4.740 0.001 0.000 0.263 434 N C -1.571 173.788 175.510 -0.251 0.000 1.308 434 N CA -0.449 52.460 53.050 -0.234 0.000 0.837 434 N CB 2.179 40.580 38.487 -0.143 0.000 1.548 434 N HN -0.173 nan 8.380 nan 0.000 0.493 435 I N 2.753 123.190 120.570 -0.223 0.000 2.569 435 I HA 0.451 4.621 4.170 0.001 0.000 0.290 435 I C -0.906 175.046 176.117 -0.275 0.000 1.088 435 I CA -0.615 60.492 61.300 -0.322 0.000 1.047 435 I CB 2.090 39.928 38.000 -0.271 0.000 1.237 435 I HN 0.415 nan 8.210 nan 0.000 0.421 436 I N 6.261 126.624 120.570 -0.345 0.000 2.569 436 I HA 0.610 4.780 4.170 0.001 0.000 0.296 436 I C -0.861 175.089 176.117 -0.277 0.000 1.028 436 I CA -0.962 60.189 61.300 -0.249 0.000 1.082 436 I CB 2.342 40.224 38.000 -0.197 0.000 1.264 436 I HN 0.118 nan 8.210 nan 0.000 0.429 437 V N 3.176 122.970 119.914 -0.200 0.000 2.841 437 V HA 0.383 4.503 4.120 0.001 0.000 0.310 437 V C 0.133 176.128 176.094 -0.165 0.000 1.090 437 V CA -0.748 61.444 62.300 -0.180 0.000 0.930 437 V CB 2.081 33.816 31.823 -0.147 0.000 1.014 437 V HN 0.933 nan 8.190 nan 0.000 0.425 438 S N 2.053 117.669 115.700 -0.140 0.000 2.617 438 S HA 0.220 4.690 4.470 0.001 0.000 0.255 438 S C 0.399 174.826 174.600 -0.288 0.000 1.318 438 S CA 0.210 58.273 58.200 -0.227 0.000 0.978 438 S CB 0.550 63.737 63.200 -0.022 0.000 0.961 438 S HN 0.934 nan 8.310 nan 0.000 0.582 439 N N -1.703 116.689 118.700 -0.513 0.000 2.162 439 N HA 0.128 4.868 4.740 0.001 0.000 0.232 439 N C 0.011 175.355 175.510 -0.277 0.000 1.361 439 N CA -0.281 52.569 53.050 -0.334 0.000 0.786 439 N CB 0.143 38.439 38.487 -0.318 0.000 1.290 439 N HN 0.752 nan 8.380 nan 0.000 0.505 440 W N 0.978 122.271 121.300 -0.012 0.000 2.341 440 W HA -0.176 4.484 4.660 0.001 0.000 0.283 440 W C 2.550 179.058 176.519 -0.019 0.000 1.215 440 W CA 1.635 58.975 57.345 -0.008 0.000 1.211 440 W CB -0.367 29.090 29.460 -0.006 0.000 1.131 440 W HN 0.204 nan 8.180 nan 0.000 0.552 441 T N -1.755 112.888 114.554 0.150 0.000 2.985 441 T HA -0.007 4.343 4.350 0.001 0.000 0.266 441 T C 1.520 176.239 174.700 0.031 0.000 1.076 441 T CA 0.703 62.850 62.100 0.078 0.000 1.135 441 T CB -0.187 68.707 68.868 0.043 0.000 0.890 441 T HN 0.191 nan 8.240 nan 0.000 0.480 442 R N 0.948 121.447 120.500 -0.001 0.000 2.362 442 R HA 0.264 4.605 4.340 0.001 0.000 0.227 442 R C -0.004 176.264 176.300 -0.053 0.000 0.905 442 R CA -0.089 55.992 56.100 -0.032 0.000 1.067 442 R CB 0.247 30.518 30.300 -0.048 0.000 1.078 442 R HN 0.289 nan 8.270 nan 0.000 0.516 443 D N 2.200 122.580 120.400 -0.033 0.000 2.380 443 D HA 0.067 4.707 4.640 0.001 0.000 0.230 443 D C -1.417 174.854 176.300 -0.048 0.000 1.154 443 D CA -2.495 51.477 54.000 -0.046 0.000 0.859 443 D CB 1.494 42.300 40.800 0.009 0.000 1.045 443 D HN -0.058 nan 8.370 nan 0.000 0.495 444 P HA -0.176 nan 4.420 nan 0.000 0.223 444 P C 0.777 177.989 177.300 -0.147 0.000 1.144 444 P CA 1.011 63.979 63.100 -0.219 0.000 0.783 444 P CB -0.076 31.402 31.700 -0.371 0.000 0.771 445 Y N -0.075 120.261 120.300 0.060 0.000 2.490 445 Y HA 0.035 4.585 4.550 0.001 0.000 0.281 445 Y C 2.301 178.263 175.900 0.103 0.000 1.174 445 Y CA 0.412 58.556 58.100 0.074 0.000 1.295 445 Y CB 0.253 38.759 38.460 0.078 0.000 1.062 445 Y HN 0.187 nan 8.280 nan 0.000 0.522 446 S N -1.266 114.576 115.700 0.237 0.000 2.917 446 S HA 0.115 4.585 4.470 0.001 0.000 0.269 446 S C 0.581 175.260 174.600 0.132 0.000 1.072 446 S CA -0.457 57.869 58.200 0.209 0.000 0.967 446 S CB 0.131 63.553 63.200 0.370 0.000 0.906 446 S HN 0.183 nan 8.310 nan 0.000 0.463 447 R N 2.170 122.741 120.500 0.118 0.000 3.225 447 R HA 0.072 4.413 4.340 0.001 0.000 0.245 447 R C 0.623 176.958 176.300 0.058 0.000 0.928 447 R CA 0.876 57.016 56.100 0.067 0.000 0.632 447 R CB -1.959 28.359 30.300 0.029 0.000 1.038 447 R HN 1.264 nan 8.270 nan 0.000 0.461 448 G N -2.479 106.379 108.800 0.096 0.000 2.316 448 G HA2 0.288 4.248 3.960 0.001 0.000 0.349 448 G HA3 0.288 4.248 3.960 0.001 0.000 0.349 448 G C 0.054 174.956 174.900 0.004 0.000 1.274 448 G CA -0.328 44.795 45.100 0.040 0.000 1.018 448 G HN 0.432 nan 8.290 nan 0.000 0.486 449 A N -1.258 121.467 122.820 -0.158 0.000 1.997 449 A HA 0.818 5.138 4.320 0.001 0.000 0.214 449 A C 0.545 178.008 177.584 -0.201 0.000 1.458 449 A CA 2.192 54.051 52.037 -0.296 0.000 0.692 449 A CB -0.108 nan 19.000 nan 0.000 1.145 449 A HN 2.250 nan 8.150 nan 0.000 0.515 450 Y N -3.701 116.554 120.300 -0.074 0.000 2.774 450 Y HA 0.592 5.142 4.550 0.001 0.000 0.346 450 Y C -0.117 175.766 175.900 -0.028 0.000 1.222 450 Y CA -0.979 57.081 58.100 -0.067 0.000 1.088 450 Y CB 0.026 38.436 38.460 -0.084 0.000 1.354 450 Y HN -0.038 nan 8.280 nan 0.000 0.455 451 S N 0.732 116.564 115.700 0.220 0.000 2.558 451 S HA 0.418 4.889 4.470 0.001 0.000 0.297 451 S C -0.104 174.598 174.600 0.171 0.000 1.283 451 S CA 0.900 59.185 58.200 0.142 0.000 1.044 451 S CB -0.032 63.250 63.200 0.136 0.000 0.789 451 S HN 1.240 nan 8.310 nan 0.000 0.500 452 A N 1.904 124.761 122.820 0.062 0.000 2.599 452 A HA 0.563 4.883 4.320 0.001 0.000 0.294 452 A C -0.974 176.606 177.584 -0.007 0.000 1.055 452 A CA -0.721 51.374 52.037 0.096 0.000 0.683 452 A CB 0.814 19.881 19.000 0.113 0.000 1.278 452 A HN 0.790 nan 8.150 nan 0.000 0.412 453 C N 1.176 120.515 119.300 0.065 0.000 2.341 453 C HA 0.706 5.166 4.460 0.001 0.000 0.338 453 C C 0.113 175.246 174.990 0.239 0.000 1.257 453 C CA -0.343 58.698 59.018 0.038 0.000 1.883 453 C CB -0.675 27.083 27.740 0.030 0.000 2.334 453 C HN 0.628 nan 8.230 nan 0.000 0.524 454 F N 3.259 123.213 119.950 0.007 0.000 2.450 454 F HA 0.404 4.931 4.527 0.001 0.000 0.328 454 F C -1.615 174.187 175.800 0.004 0.000 1.068 454 F CA -2.555 55.451 58.000 0.011 0.000 1.007 454 F CB 1.294 40.308 39.000 0.022 0.000 1.251 454 F HN 0.302 nan 8.300 nan 0.000 0.492 455 P HA 0.048 nan 4.420 nan 0.000 0.265 455 P C 0.340 177.706 177.300 0.110 0.000 1.193 455 P CA 0.762 63.931 63.100 0.116 0.000 0.765 455 P CB 0.760 32.519 31.700 0.098 0.000 0.823 456 G N 1.733 110.573 108.800 0.066 0.000 2.159 456 G HA2 -0.157 3.804 3.960 0.001 0.000 0.227 456 G HA3 -0.157 3.804 3.960 0.001 0.000 0.227 456 G C -0.149 174.774 174.900 0.039 0.000 0.986 456 G CA -0.227 44.906 45.100 0.055 0.000 0.651 456 G HN 0.507 nan 8.290 nan 0.000 0.523 457 D N 0.242 120.662 120.400 0.032 0.000 2.388 457 D HA 0.610 5.250 4.640 0.001 0.000 0.254 457 D C -0.433 175.857 176.300 -0.016 0.000 1.111 457 D CA -0.101 53.901 54.000 0.003 0.000 0.993 457 D CB 1.111 41.905 40.800 -0.011 0.000 1.118 457 D HN 0.050 nan 8.370 nan 0.000 0.502 458 D N -0.109 120.273 120.400 -0.030 0.000 2.319 458 D HA 0.134 4.775 4.640 0.001 0.000 0.237 458 D C -1.988 174.283 176.300 -0.048 0.000 1.353 458 D CA -1.362 52.617 54.000 -0.034 0.000 0.992 458 D CB 1.834 42.616 40.800 -0.030 0.000 1.368 458 D HN -0.010 nan 8.370 nan 0.000 0.564 459 P HA -0.127 nan 4.420 nan 0.000 0.218 459 P C 1.761 179.024 177.300 -0.062 0.000 1.148 459 P CA 0.693 63.764 63.100 -0.048 0.000 0.822 459 P CB 0.350 32.035 31.700 -0.024 0.000 0.784 460 V N 1.661 121.545 119.914 -0.050 0.000 2.317 460 V HA -0.305 3.815 4.120 0.001 0.000 0.251 460 V C 2.277 178.324 176.094 -0.078 0.000 1.065 460 V CA 2.900 65.168 62.300 -0.054 0.000 1.049 460 V CB -1.306 30.494 31.823 -0.038 0.000 0.651 460 V HN 0.010 nan 8.190 nan 0.000 0.450 461 D N -0.578 119.769 120.400 -0.088 0.000 2.103 461 D HA -0.253 4.388 4.640 0.001 0.000 0.190 461 D C 2.086 178.287 176.300 -0.165 0.000 0.997 461 D CA 2.275 56.206 54.000 -0.115 0.000 0.833 461 D CB -0.102 40.628 40.800 -0.116 0.000 0.961 461 D HN 0.597 nan 8.370 nan 0.000 0.447 462 M N 0.886 120.370 119.600 -0.193 0.000 2.086 462 M HA -0.132 4.348 4.480 0.001 0.000 0.261 462 M C 2.144 178.309 176.300 -0.225 0.000 1.067 462 M CA 1.110 56.255 55.300 -0.259 0.000 1.116 462 M CB -0.477 31.975 32.600 -0.246 0.000 1.348 462 M HN -0.146 nan 8.290 nan 0.000 0.407 463 V N -0.913 118.904 119.914 -0.161 0.000 2.252 463 V HA -0.307 3.813 4.120 0.001 0.000 0.249 463 V C 2.362 178.375 176.094 -0.135 0.000 1.056 463 V CA 1.980 64.196 62.300 -0.140 0.000 1.022 463 V CB -1.248 30.520 31.823 -0.091 0.000 0.641 463 V HN 0.396 nan 8.190 nan 0.000 0.445 464 V N 0.147 119.991 119.914 -0.117 0.000 2.223 464 V HA -0.275 3.846 4.120 0.001 0.000 0.244 464 V C 2.769 178.787 176.094 -0.126 0.000 1.045 464 V CA 2.220 64.460 62.300 -0.100 0.000 1.000 464 V CB -1.343 30.430 31.823 -0.082 0.000 0.635 464 V HN 0.561 nan 8.190 nan 0.000 0.445 465 A N -0.363 122.358 122.820 -0.164 0.000 1.896 465 A HA -0.321 3.999 4.320 0.001 0.000 0.220 465 A C 2.250 179.677 177.584 -0.261 0.000 1.206 465 A CA 2.670 54.584 52.037 -0.205 0.000 0.647 465 A CB -0.624 18.221 19.000 -0.258 0.000 0.828 465 A HN 0.441 nan 8.150 nan 0.000 0.455 466 M N 0.486 119.888 119.600 -0.331 0.000 2.065 466 M HA -0.151 4.329 4.480 0.001 0.000 0.259 466 M C 2.492 178.706 176.300 -0.143 0.000 1.069 466 M CA 2.223 57.284 55.300 -0.399 0.000 1.110 466 M CB -1.632 30.730 32.600 -0.396 0.000 1.328 466 M HN 0.700 nan 8.290 nan 0.000 0.405 467 S N -0.013 115.624 115.700 -0.105 0.000 2.500 467 S HA -0.095 4.375 4.470 0.001 0.000 0.239 467 S C 1.618 176.216 174.600 -0.004 0.000 0.989 467 S CA 1.402 59.582 58.200 -0.034 0.000 0.951 467 S CB -1.514 61.658 63.200 -0.047 0.000 0.759 467 S HN 0.617 nan 8.310 nan 0.000 0.523 468 N N 1.043 119.730 118.700 -0.021 0.000 2.368 468 N HA 0.469 5.209 4.740 0.001 0.000 0.176 468 N C 1.145 176.686 175.510 0.051 0.000 1.021 468 N CA 0.790 53.840 53.050 -0.000 0.000 0.888 468 N CB -0.761 37.709 38.487 -0.029 0.000 0.995 468 N HN 1.304 nan 8.380 nan 0.000 0.437 469 G N -1.093 107.768 108.800 0.101 0.000 2.746 469 G HA2 -0.125 3.835 3.960 0.001 0.000 0.685 469 G HA3 -0.125 3.835 3.960 0.001 0.000 0.685 469 G C 0.235 175.267 174.900 0.219 0.000 1.350 469 G CA 0.464 45.727 45.100 0.271 0.000 0.837 469 G HN 0.634 nan 8.290 nan 0.000 0.564 470 Q N -0.010 120.000 119.800 0.350 0.000 2.123 470 Q HA 0.229 4.569 4.340 0.001 0.000 0.199 470 Q C 1.242 177.294 176.000 0.087 0.000 0.966 470 Q CA 3.135 59.051 55.803 0.189 0.000 0.845 470 Q CB 0.053 28.905 28.738 0.190 0.000 0.907 470 Q HN 1.080 nan 8.270 nan 0.000 0.439 471 D N -4.619 115.827 120.400 0.077 0.000 4.052 471 D HA 0.254 4.894 4.640 0.001 0.000 0.347 471 D C 0.694 177.012 176.300 0.030 0.000 1.574 471 D CA 0.173 54.195 54.000 0.036 0.000 0.972 471 D CB -0.649 40.160 40.800 0.015 0.000 1.472 471 D HN -0.084 nan 8.370 nan 0.000 0.623 472 S N -1.184 114.516 115.700 0.001 0.000 2.371 472 S HA -0.004 4.466 4.470 0.001 0.000 0.224 472 S C 1.702 176.292 174.600 -0.017 0.000 1.029 472 S CA 0.945 59.146 58.200 0.001 0.000 0.978 472 S CB -0.466 nan 63.200 nan 0.000 0.833 472 S HN 0.357 nan 8.310 nan 0.000 0.466 473 R N 0.330 120.751 120.500 -0.131 0.000 2.362 473 R HA 0.302 4.643 4.340 0.001 0.000 0.227 473 R C -0.513 175.742 176.300 -0.074 0.000 0.905 473 R CA 0.075 56.027 56.100 -0.247 0.000 1.067 473 R CB 0.271 30.288 30.300 -0.472 0.000 1.078 473 R HN 0.380 nan 8.270 nan 0.000 0.516 474 I N 2.993 123.537 120.570 -0.043 0.000 2.390 474 I HA 0.347 4.517 4.170 0.001 0.000 0.283 474 I C 0.023 176.074 176.117 -0.110 0.000 1.016 474 I CA -0.692 60.557 61.300 -0.086 0.000 1.151 474 I CB 0.910 38.876 38.000 -0.056 0.000 1.293 474 I HN -0.225 nan 8.210 nan 0.000 0.458 475 R N 4.953 125.346 120.500 -0.179 0.000 2.902 475 R HA 0.731 5.072 4.340 0.001 0.000 0.258 475 R C -1.049 175.037 176.300 -0.357 0.000 1.071 475 R CA -0.830 55.207 56.100 -0.106 0.000 1.024 475 R CB 1.561 31.860 30.300 -0.001 0.000 1.184 475 R HN 0.192 nan 8.270 nan 0.000 0.492 476 F N -0.721 119.225 119.950 -0.006 0.000 2.579 476 F HA 0.790 5.318 4.527 0.001 0.000 0.324 476 F C 0.171 175.948 175.800 -0.037 0.000 1.058 476 F CA -0.778 57.219 58.000 -0.006 0.000 0.944 476 F CB 2.125 41.104 39.000 -0.035 0.000 1.245 476 F HN 0.654 nan 8.300 nan 0.000 0.477 477 A N 0.516 123.435 122.820 0.164 0.000 2.583 477 A HA 0.948 5.269 4.320 0.001 0.000 0.289 477 A C -0.430 177.228 177.584 0.124 0.000 1.151 477 A CA -0.354 51.730 52.037 0.077 0.000 0.695 477 A CB 1.480 20.505 19.000 0.042 0.000 1.290 477 A HN 1.857 nan 8.150 nan 0.000 0.419 478 G N -0.275 108.582 108.800 0.095 0.000 2.539 478 G HA2 0.376 4.336 3.960 0.001 0.000 0.686 478 G HA3 0.376 4.336 3.960 0.001 0.000 0.686 478 G C 0.060 175.053 174.900 0.155 0.000 1.258 478 G CA 0.793 46.002 45.100 0.182 0.000 0.846 478 G HN 2.101 nan 8.290 nan 0.000 0.647 479 E N -0.194 120.104 120.200 0.162 0.000 2.284 479 E HA -0.274 4.076 4.350 0.001 0.000 0.200 479 E C 1.564 178.231 176.600 0.112 0.000 1.008 479 E CA 2.572 59.021 56.400 0.082 0.000 0.829 479 E CB -0.330 29.386 29.700 0.026 0.000 0.744 479 E HN 1.052 nan 8.360 nan 0.000 0.491 480 H N -0.391 118.681 119.070 0.004 0.000 2.517 480 H HA 0.266 4.822 4.556 0.001 0.000 0.282 480 H C 0.405 175.715 175.328 -0.031 0.000 1.023 480 H CA 0.826 56.870 56.048 -0.007 0.000 1.169 480 H CB -0.375 29.397 29.762 0.016 0.000 1.454 480 H HN 0.288 nan 8.280 nan 0.000 0.556 481 T N -1.950 112.387 114.554 -0.363 0.000 3.200 481 T HA 0.402 4.753 4.350 0.001 0.000 0.284 481 T C 0.240 174.849 174.700 -0.153 0.000 1.009 481 T CA -0.398 61.505 62.100 -0.329 0.000 0.907 481 T CB -0.149 68.514 68.868 -0.341 0.000 1.120 481 T HN 0.302 nan 8.240 nan 0.000 0.534 482 I N 0.082 120.590 120.570 -0.104 0.000 3.006 482 I HA 0.446 4.617 4.170 0.001 0.000 0.306 482 I C 0.434 176.522 176.117 -0.048 0.000 1.250 482 I CA -1.248 60.016 61.300 -0.060 0.000 0.996 482 I CB 2.319 40.297 38.000 -0.036 0.000 1.261 482 I HN -0.072 nan 8.210 nan 0.000 0.442 483 M N 2.085 121.670 119.600 -0.025 0.000 2.240 483 M HA 0.144 4.624 4.480 0.001 0.000 0.257 483 M C -0.176 176.126 176.300 0.002 0.000 1.107 483 M CA 1.346 56.639 55.300 -0.012 0.000 1.169 483 M CB -0.332 32.269 32.600 0.000 0.000 1.307 483 M HN 0.483 nan 8.290 nan 0.000 0.447 484 D N 1.192 121.613 120.400 0.036 0.000 2.363 484 D HA 0.373 5.013 4.640 0.001 0.000 0.263 484 D C 0.918 177.237 176.300 0.032 0.000 1.258 484 D CA 1.304 55.359 54.000 0.092 0.000 0.907 484 D CB 0.057 40.950 40.800 0.155 0.000 1.107 484 D HN 0.713 nan 8.370 nan 0.000 0.495 485 G N 2.038 110.801 108.800 -0.061 0.000 2.157 485 G HA2 -0.192 3.768 3.960 0.001 0.000 0.239 485 G HA3 -0.192 3.768 3.960 0.001 0.000 0.239 485 G C 0.583 175.264 174.900 -0.365 0.000 0.982 485 G CA -0.031 44.741 45.100 -0.547 0.000 0.650 485 G HN 0.869 nan 8.290 nan 0.000 0.527 486 A N -0.130 122.587 122.820 -0.171 0.000 2.608 486 A HA 0.508 4.828 4.320 0.001 0.000 0.239 486 A C 2.306 179.796 177.584 -0.156 0.000 1.018 486 A CA 2.343 54.308 52.037 -0.119 0.000 0.766 486 A CB -0.352 18.612 19.000 -0.060 0.000 0.928 486 A HN 2.484 nan 8.150 nan 0.000 0.512 487 G N 0.761 109.491 108.800 -0.117 0.000 2.189 487 G HA2 -0.295 3.666 3.960 0.001 0.000 0.267 487 G HA3 -0.295 3.666 3.960 0.001 0.000 0.267 487 G C 0.437 175.146 174.900 -0.318 0.000 0.975 487 G CA 0.574 45.571 45.100 -0.172 0.000 0.644 487 G HN 1.274 nan 8.290 nan 0.000 0.537 488 C N -0.166 118.961 119.300 -0.289 0.000 2.399 488 C HA 0.798 5.258 4.460 0.001 0.000 0.348 488 C C 2.277 177.155 174.990 -0.186 0.000 1.183 488 C CA 0.170 59.025 59.018 -0.271 0.000 2.023 488 C CB 1.195 28.749 27.740 -0.310 0.000 2.361 488 C HN 0.853 nan 8.230 nan 0.000 0.521 489 A N 0.958 123.726 122.820 -0.086 0.000 1.908 489 A HA -0.198 4.122 4.320 0.001 0.000 0.218 489 A C 1.778 179.462 177.584 0.167 0.000 1.181 489 A CA 2.294 54.336 52.037 0.008 0.000 0.627 489 A CB -0.848 18.131 19.000 -0.034 0.000 0.818 489 A HN 1.088 nan 8.150 nan 0.000 0.445 490 Y N -0.801 119.603 120.300 0.174 0.000 2.457 490 Y HA 0.261 4.812 4.550 0.001 0.000 0.292 490 Y C 2.060 178.122 175.900 0.269 0.000 1.125 490 Y CA 0.407 58.644 58.100 0.228 0.000 1.254 490 Y CB -1.093 37.466 38.460 0.164 0.000 1.012 490 Y HN 0.069 nan 8.280 nan 0.000 0.555 491 G N 0.818 109.388 108.800 -0.382 0.000 2.404 491 G HA2 -0.172 3.788 3.960 0.001 0.000 0.215 491 G HA3 -0.172 3.788 3.960 0.001 0.000 0.215 491 G C 1.822 176.731 174.900 0.015 0.000 1.174 491 G CA 1.074 46.023 45.100 -0.252 0.000 0.780 491 G HN 0.623 nan 8.290 nan 0.000 0.537 492 A N 0.045 122.895 122.820 0.050 0.000 1.898 492 A HA -0.042 4.278 4.320 0.001 0.000 0.216 492 A C 2.146 179.839 177.584 0.182 0.000 1.181 492 A CA 1.580 53.679 52.037 0.104 0.000 0.620 492 A CB -0.840 18.218 19.000 0.097 0.000 0.819 492 A HN 0.551 nan 8.150 nan 0.000 0.442 493 W N 1.081 122.426 121.300 0.075 0.000 2.321 493 W HA -0.254 4.406 4.660 0.001 0.000 0.306 493 W C 1.947 178.525 176.519 0.098 0.000 1.217 493 W CA 2.286 59.696 57.345 0.109 0.000 1.257 493 W CB -0.043 29.516 29.460 0.165 0.000 1.145 493 W HN 0.429 nan 8.180 nan 0.000 0.509 494 E N 0.115 120.456 120.200 0.235 0.000 2.216 494 E HA -0.145 4.206 4.350 0.001 0.000 0.192 494 E C 2.229 178.799 176.600 -0.051 0.000 0.988 494 E CA 1.827 58.241 56.400 0.023 0.000 0.834 494 E CB -0.491 29.347 29.700 0.230 0.000 0.772 494 E HN 0.238 nan 8.360 nan 0.000 0.479 495 S N -1.245 114.454 115.700 -0.002 0.000 2.453 495 S HA 0.028 4.499 4.470 0.001 0.000 0.231 495 S C 2.050 176.619 174.600 -0.050 0.000 1.005 495 S CA 0.641 58.828 58.200 -0.021 0.000 0.949 495 S CB -0.246 62.952 63.200 -0.004 0.000 0.774 495 S HN 0.315 nan 8.310 nan 0.000 0.510 496 G N 1.511 110.261 108.800 -0.085 0.000 2.411 496 G HA2 -0.018 3.943 3.960 0.001 0.000 0.213 496 G HA3 -0.018 3.943 3.960 0.001 0.000 0.213 496 G C 1.552 176.351 174.900 -0.169 0.000 1.166 496 G CA 0.131 45.166 45.100 -0.109 0.000 0.802 496 G HN 0.486 nan 8.290 nan 0.000 0.533 497 R N 0.283 120.619 120.500 -0.274 0.000 2.148 497 R HA 0.056 4.397 4.340 0.001 0.000 0.227 497 R C 2.522 178.720 176.300 -0.170 0.000 1.103 497 R CA 0.877 56.808 56.100 -0.282 0.000 0.983 497 R CB -0.206 29.822 30.300 -0.454 0.000 0.874 497 R HN 0.293 nan 8.270 nan 0.000 0.451 498 R N 0.449 120.870 120.500 -0.131 0.000 2.070 498 R HA -0.137 4.203 4.340 0.001 0.000 0.233 498 R C 1.602 177.859 176.300 -0.071 0.000 1.137 498 R CA 1.745 57.797 56.100 -0.080 0.000 0.945 498 R CB 0.022 30.292 30.300 -0.050 0.000 0.845 498 R HN 0.164 nan 8.270 nan 0.000 0.430 499 E N 0.200 120.357 120.200 -0.071 0.000 2.107 499 E HA -0.102 4.249 4.350 0.001 0.000 0.191 499 E C 1.840 178.380 176.600 -0.101 0.000 0.982 499 E CA 1.108 57.468 56.400 -0.067 0.000 0.809 499 E CB -0.259 29.409 29.700 -0.053 0.000 0.756 499 E HN 0.448 nan 8.360 nan 0.000 0.459 500 A N 1.038 123.791 122.820 -0.111 0.000 1.858 500 A HA -0.153 4.167 4.320 0.001 0.000 0.216 500 A C 2.473 179.986 177.584 -0.119 0.000 1.190 500 A CA 2.151 54.115 52.037 -0.121 0.000 0.617 500 A CB -1.011 17.924 19.000 -0.109 0.000 0.827 500 A HN 0.249 nan 8.150 nan 0.000 0.443 501 T N -0.588 113.905 114.554 -0.102 0.000 2.708 501 T HA -0.172 4.178 4.350 0.001 0.000 0.266 501 T C 2.062 176.707 174.700 -0.091 0.000 1.037 501 T CA 1.565 63.613 62.100 -0.086 0.000 1.146 501 T CB -0.287 68.538 68.868 -0.073 0.000 0.865 501 T HN 0.586 nan 8.240 nan 0.000 0.435 502 R N 0.788 121.235 120.500 -0.088 0.000 2.083 502 R HA -0.072 4.269 4.340 0.001 0.000 0.237 502 R C 2.359 178.578 176.300 -0.135 0.000 1.137 502 R CA 1.634 57.684 56.100 -0.082 0.000 0.951 502 R CB -0.460 29.806 30.300 -0.056 0.000 0.851 502 R HN 0.401 nan 8.270 nan 0.000 0.434 503 I N 0.197 120.638 120.570 -0.215 0.000 2.353 503 I HA -0.197 3.974 4.170 0.001 0.000 0.248 503 I C 2.562 178.486 176.117 -0.320 0.000 1.119 503 I CA 0.997 62.044 61.300 -0.422 0.000 1.417 503 I CB -0.341 37.311 38.000 -0.580 0.000 1.078 503 I HN 0.268 nan 8.210 nan 0.000 0.421 504 S N 0.803 116.382 115.700 -0.201 0.000 2.370 504 S HA -0.220 4.251 4.470 0.001 0.000 0.226 504 S C 1.672 176.210 174.600 -0.103 0.000 1.033 504 S CA 1.839 59.959 58.200 -0.134 0.000 1.011 504 S CB -0.251 62.895 63.200 -0.091 0.000 0.852 504 S HN 0.377 nan 8.310 nan 0.000 0.457 505 D N 1.098 121.443 120.400 -0.092 0.000 2.144 505 D HA -0.020 4.620 4.640 0.001 0.000 0.200 505 D C 1.936 178.201 176.300 -0.059 0.000 0.978 505 D CA 0.787 54.751 54.000 -0.061 0.000 0.833 505 D CB -0.355 40.417 40.800 -0.047 0.000 0.961 505 D HN 0.387 nan 8.370 nan 0.000 0.470 506 L N 0.087 121.258 121.223 -0.087 0.000 2.027 506 L HA -0.112 4.229 4.340 0.001 0.000 0.206 506 L C 2.528 179.371 176.870 -0.046 0.000 1.074 506 L CA 0.634 55.440 54.840 -0.057 0.000 0.745 506 L CB -0.344 41.676 42.059 -0.066 0.000 0.898 506 L HN 0.045 nan 8.230 nan 0.000 0.433 507 L N -0.243 120.924 121.223 -0.093 0.000 1.994 507 L HA -0.238 4.103 4.340 0.001 0.000 0.208 507 L C 2.637 179.492 176.870 -0.025 0.000 1.071 507 L CA 1.505 56.314 54.840 -0.051 0.000 0.745 507 L CB -0.512 41.500 42.059 -0.078 0.000 0.892 507 L HN 0.195 nan 8.230 nan 0.000 0.431 508 K N 0.002 120.382 120.400 -0.033 0.000 2.160 508 K HA -0.177 4.143 4.320 0.001 0.000 0.206 508 K C 2.017 178.611 176.600 -0.010 0.000 1.047 508 K CA 1.224 57.500 56.287 -0.019 0.000 0.930 508 K CB -0.160 32.326 32.500 -0.024 0.000 0.720 508 K HN 0.292 nan 8.250 nan 0.000 0.450 509 L N 0.462 121.679 121.223 -0.010 0.000 2.162 509 L HA -0.072 4.269 4.340 0.001 0.000 0.205 509 L C 1.766 178.640 176.870 0.006 0.000 1.086 509 L CA 0.771 55.610 54.840 -0.002 0.000 0.778 509 L CB -0.274 41.784 42.059 -0.002 0.000 0.928 509 L HN 0.166 nan 8.230 nan 0.000 0.446 510 E N -0.585 119.623 120.200 0.012 0.000 2.448 510 E HA -0.152 4.198 4.350 0.001 0.000 0.203 510 E C 0.586 177.196 176.600 0.016 0.000 1.046 510 E CA 0.781 57.194 56.400 0.021 0.000 0.871 510 E CB -0.277 29.443 29.700 0.034 0.000 0.790 510 E HN 0.745 nan 8.360 nan 0.000 0.545 511 H N 0.000 119.077 119.070 0.011 0.000 2.539 511 H HA 0.000 4.556 4.556 0.001 0.000 0.296 511 H CA 0.000 56.054 56.048 0.010 0.000 1.023 511 H CB 0.000 nan 29.762 nan 0.000 1.292 511 H HN 0.000 nan 8.280 nan 0.000 0.496