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 1m3i_1_B DATA FIRST_RESID 36 DATA SEQUENCE QSIDSGISSL SYNRNEVLAS NGDKIESFVP KEGKKAGNKF IVVERQKRSL DATA SEQUENCE TTSPVDISII DSVNDRTYPG ALQLADKALV ENRPTILMVK RKPININIDL DATA SEQUENCE PGLKGENSIK VDDPTYGKVS GAIDELVSKW NEKYSSTHTL PARTQYSESM DATA SEQUENCE VYSKSQISSA LNVNAKVLEN SLGVDFNAVA NNEKKVMILA YKQIFYTVSA DATA SEQUENCE DLPKNPSDLF DDSVTFNDLK QKGVSNEAPP LMVSNVAYGR TIYVKLETTS DATA SEQUENCE SSKDVQAAFK ALIKNTDIKN SQQYKDIYEN SSFTAVVLGG DAQEHNKVVT DATA SEQUENCE KDFDEIRKVI KDNATFSTKN PAYPISYTSV FLKDNSVAAV HNKTDYIETT DATA SEQUENCE STEYSKGKIN LDHSGAYVAQ FEVAWDEVSY DKEGNEVLTH KTWDGNYQDK DATA SEQUENCE TAHYSTVIPL EANARNIRIK ARECTGLAWE WWRDVISEYD VPLTNNINVS DATA SEQUENCE IWGTTLYPGS SITYN 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 36 Q HA 0.000 nan 4.340 nan 0.000 0.214 36 Q C 0.000 176.028 176.000 0.046 0.000 1.003 36 Q CA 0.000 55.828 55.803 0.041 0.000 1.022 36 Q CB 0.000 28.748 28.738 0.016 0.000 1.108 37 S N 0.703 116.397 115.700 -0.009 0.000 2.592 37 S HA 0.443 4.890 4.470 -0.039 0.000 0.271 37 S C 1.361 175.954 174.600 -0.012 0.000 1.326 37 S CA -0.333 57.859 58.200 -0.014 0.000 1.024 37 S CB 0.417 63.593 63.200 -0.039 0.000 0.921 37 S HN 0.252 nan 8.310 nan 0.000 0.527 38 I N 2.220 122.791 120.570 0.002 0.000 2.162 38 I HA -0.096 4.051 4.170 -0.039 0.000 0.238 38 I C 2.127 178.224 176.117 -0.032 0.000 1.076 38 I CA 1.103 62.413 61.300 0.016 0.000 1.353 38 I CB -0.326 37.568 38.000 -0.177 0.000 1.063 38 I HN 0.721 nan 8.210 nan 0.000 0.408 39 D N 0.633 121.014 120.400 -0.032 0.000 2.126 39 D HA -0.193 4.424 4.640 -0.039 0.000 0.190 39 D C 2.286 178.538 176.300 -0.080 0.000 1.001 39 D CA 2.002 55.990 54.000 -0.021 0.000 0.841 39 D CB -0.164 40.635 40.800 -0.002 0.000 0.949 39 D HN 0.273 nan 8.370 nan 0.000 0.446 40 S N 0.450 116.081 115.700 -0.115 0.000 2.353 40 S HA -0.136 4.310 4.470 -0.039 0.000 0.222 40 S C 2.168 176.579 174.600 -0.316 0.000 1.035 40 S CA 1.320 59.419 58.200 -0.169 0.000 1.025 40 S CB -0.815 62.295 63.200 -0.150 0.000 0.902 40 S HN 0.431 nan 8.310 nan 0.000 0.440 41 G N 1.815 110.294 108.800 -0.533 0.000 2.491 41 G HA2 -0.208 3.729 3.960 -0.039 0.000 0.218 41 G HA3 -0.208 3.729 3.960 -0.039 0.000 0.218 41 G C 1.369 175.803 174.900 -0.775 0.000 1.180 41 G CA 1.025 45.333 45.100 -1.320 0.000 0.774 41 G HN 0.469 nan 8.290 nan 0.000 0.562 42 I N 1.079 121.510 120.570 -0.232 0.000 2.113 42 I HA -0.178 3.969 4.170 -0.039 0.000 0.238 42 I C 2.811 178.906 176.117 -0.037 0.000 1.070 42 I CA 1.452 62.777 61.300 0.041 0.000 1.332 42 I CB -0.270 37.810 38.000 0.134 0.000 1.044 42 I HN 0.102 nan 8.210 nan 0.000 0.402 43 S N -0.099 115.555 115.700 -0.076 0.000 2.584 43 S HA -0.061 4.386 4.470 -0.039 0.000 0.240 43 S C 1.259 175.778 174.600 -0.136 0.000 0.975 43 S CA 0.614 58.760 58.200 -0.090 0.000 0.949 43 S CB -0.189 62.968 63.200 -0.072 0.000 0.761 43 S HN 0.281 nan 8.310 nan 0.000 0.536 44 S N 1.252 116.849 115.700 -0.171 0.000 2.484 44 S HA 0.423 4.869 4.470 -0.039 0.000 0.242 44 S C -0.191 174.324 174.600 -0.141 0.000 1.158 44 S CA -0.325 57.771 58.200 -0.173 0.000 1.162 44 S CB -0.004 63.066 63.200 -0.217 0.000 0.850 44 S HN 0.319 nan 8.310 nan 0.000 0.477 45 L N 2.191 123.332 121.223 -0.137 0.000 2.346 45 L HA 0.523 4.840 4.340 -0.039 0.000 0.276 45 L C 0.186 176.930 176.870 -0.209 0.000 1.006 45 L CA -0.626 54.161 54.840 -0.087 0.000 0.817 45 L CB 1.940 44.029 42.059 0.050 0.000 1.272 45 L HN 0.220 nan 8.230 nan 0.000 0.421 46 S N 2.531 118.171 115.700 -0.101 0.000 2.410 46 S HA 0.626 5.073 4.470 -0.039 0.000 0.304 46 S C -0.948 173.647 174.600 -0.009 0.000 1.095 46 S CA -0.504 57.629 58.200 -0.112 0.000 1.089 46 S CB 0.396 63.567 63.200 -0.048 0.000 0.968 46 S HN 0.490 nan 8.310 nan 0.000 0.480 47 Y N 0.207 120.462 120.300 -0.075 0.000 2.480 47 Y HA 0.533 5.060 4.550 -0.039 0.000 0.329 47 Y C -1.281 174.545 175.900 -0.123 0.000 1.127 47 Y CA -1.740 56.303 58.100 -0.094 0.000 1.037 47 Y CB 0.560 38.950 38.460 -0.115 0.000 1.320 47 Y HN 0.538 nan 8.280 nan 0.000 0.446 48 N N 4.030 122.834 118.700 0.173 0.000 2.663 48 N HA 0.121 4.837 4.740 -0.039 0.000 0.250 48 N C 0.603 176.162 175.510 0.081 0.000 1.129 48 N CA -0.030 53.072 53.050 0.085 0.000 0.995 48 N CB 0.444 38.942 38.487 0.019 0.000 1.324 48 N HN 0.921 nan 8.380 nan 0.000 0.512 49 R N 2.439 123.011 120.500 0.120 0.000 2.189 49 R HA -0.228 4.089 4.340 -0.039 0.000 0.252 49 R C 1.092 177.451 176.300 0.098 0.000 1.134 49 R CA 1.889 57.948 56.100 -0.068 0.000 0.954 49 R CB -0.604 29.673 30.300 -0.038 0.000 0.890 49 R HN 0.416 nan 8.270 nan 0.000 0.443 50 N N 0.403 119.131 118.700 0.047 0.000 2.573 50 N HA -0.103 4.613 4.740 -0.039 0.000 0.187 50 N C 0.637 175.949 175.510 -0.330 0.000 1.107 50 N CA 0.978 53.946 53.050 -0.137 0.000 0.918 50 N CB 0.079 38.430 38.487 -0.227 0.000 0.966 50 N HN 0.484 nan 8.380 nan 0.000 0.448 51 E N -0.259 119.881 120.200 -0.100 0.000 2.453 51 E HA 0.047 4.374 4.350 -0.039 0.000 0.211 51 E C 2.119 178.725 176.600 0.010 0.000 0.897 51 E CA 0.157 56.515 56.400 -0.070 0.000 1.063 51 E CB -0.206 29.464 29.700 -0.051 0.000 1.080 51 E HN 0.205 nan 8.360 nan 0.000 0.512 52 V N -0.160 119.773 119.914 0.031 0.000 2.392 52 V HA -0.100 3.997 4.120 -0.039 0.000 0.249 52 V C 1.359 177.493 176.094 0.067 0.000 1.059 52 V CA 1.206 63.526 62.300 0.034 0.000 1.051 52 V CB -0.759 31.049 31.823 -0.025 0.000 0.658 52 V HN 0.050 nan 8.190 nan 0.000 0.455 53 L N 1.536 122.829 121.223 0.117 0.000 2.301 53 L HA 0.829 5.146 4.340 -0.039 0.000 0.278 53 L C -0.206 176.738 176.870 0.124 0.000 1.022 53 L CA 0.140 55.039 54.840 0.098 0.000 0.854 53 L CB 1.005 43.113 42.059 0.081 0.000 1.226 53 L HN 0.357 nan 8.230 nan 0.000 0.429 54 A N 2.164 125.029 122.820 0.076 0.000 2.606 54 A HA 0.861 5.157 4.320 -0.039 0.000 0.293 54 A C -0.794 176.813 177.584 0.040 0.000 1.082 54 A CA -0.541 51.544 52.037 0.080 0.000 0.685 54 A CB 2.129 21.173 19.000 0.073 0.000 1.284 54 A HN 0.505 nan 8.150 nan 0.000 0.408 55 S N 1.430 117.150 115.700 0.034 0.000 2.594 55 S HA 0.659 5.106 4.470 -0.039 0.000 0.296 55 S C -1.144 173.465 174.600 0.015 0.000 1.124 55 S CA -0.934 57.274 58.200 0.013 0.000 1.011 55 S CB 1.223 64.421 63.200 -0.003 0.000 1.016 55 S HN 0.576 nan 8.310 nan 0.000 0.485 56 N N 1.776 120.482 118.700 0.010 0.000 2.438 56 N HA 0.439 5.155 4.740 -0.039 0.000 0.282 56 N C -0.139 175.375 175.510 0.006 0.000 1.037 56 N CA -0.400 52.657 53.050 0.012 0.000 0.942 56 N CB 1.611 40.104 38.487 0.010 0.000 1.136 56 N HN 0.920 nan 8.380 nan 0.000 0.481 57 G N 1.024 109.832 108.800 0.014 0.000 2.607 57 G HA2 0.277 4.213 3.960 -0.039 0.000 0.332 57 G HA3 0.277 4.213 3.960 -0.039 0.000 0.332 57 G C -0.159 174.752 174.900 0.018 0.000 1.046 57 G CA -0.654 44.454 45.100 0.014 0.000 1.099 57 G HN 0.630 nan 8.290 nan 0.000 0.451 58 D N 1.497 121.903 120.400 0.009 0.000 2.438 58 D HA 0.091 4.708 4.640 -0.039 0.000 0.230 58 D C 0.340 176.654 176.300 0.023 0.000 1.248 58 D CA 0.263 54.270 54.000 0.012 0.000 0.883 58 D CB 0.711 41.513 40.800 0.004 0.000 1.233 58 D HN 0.400 nan 8.370 nan 0.000 0.500 59 K N 0.791 121.206 120.400 0.025 0.000 2.471 59 K HA 0.511 4.808 4.320 -0.039 0.000 0.252 59 K C -1.661 174.963 176.600 0.040 0.000 0.938 59 K CA -0.975 55.331 56.287 0.031 0.000 0.796 59 K CB 1.658 34.175 32.500 0.029 0.000 1.161 59 K HN 0.603 nan 8.250 nan 0.000 0.425 60 I N 1.861 122.460 120.570 0.049 0.000 2.328 60 I HA 0.150 4.296 4.170 -0.039 0.000 0.287 60 I C 0.470 176.652 176.117 0.109 0.000 1.012 60 I CA -0.039 61.301 61.300 0.066 0.000 1.195 60 I CB 1.027 39.065 38.000 0.063 0.000 1.350 60 I HN 0.888 nan 8.210 nan 0.000 0.464 61 E N 4.341 124.617 120.200 0.128 0.000 2.585 61 E HA 0.057 4.384 4.350 -0.039 0.000 0.206 61 E C 0.538 177.237 176.600 0.165 0.000 1.007 61 E CA 0.062 56.592 56.400 0.215 0.000 1.028 61 E CB 0.454 30.241 29.700 0.145 0.000 1.087 61 E HN 0.644 nan 8.360 nan 0.000 0.455 62 S N 0.386 116.171 115.700 0.140 0.000 2.701 62 S HA 0.031 4.477 4.470 -0.039 0.000 0.220 62 S C 0.416 175.066 174.600 0.083 0.000 0.954 62 S CA -0.677 57.566 58.200 0.072 0.000 0.936 62 S CB -0.564 62.674 63.200 0.063 0.000 0.777 62 S HN 0.405 nan 8.310 nan 0.000 0.518 63 F N 1.287 121.234 119.950 -0.005 0.000 2.484 63 F HA 0.618 5.122 4.527 -0.038 0.000 0.360 63 F C -0.563 175.230 175.800 -0.012 0.000 1.101 63 F CA -0.999 56.994 58.000 -0.011 0.000 1.251 63 F CB 0.608 39.594 39.000 -0.023 0.000 1.132 63 F HN -0.178 nan 8.300 nan 0.000 0.570 64 V N 7.828 127.720 119.914 -0.037 0.000 2.333 64 V HA 0.197 4.294 4.120 -0.039 0.000 0.274 64 V C -1.236 174.864 176.094 0.009 0.000 1.028 64 V CA -1.488 60.743 62.300 -0.116 0.000 0.851 64 V CB 1.051 32.858 31.823 -0.026 0.000 1.000 64 V HN 0.729 nan 8.190 nan 0.000 0.456 65 P HA -0.210 nan 4.420 nan 0.000 0.221 65 P C 0.272 177.595 177.300 0.037 0.000 1.153 65 P CA 1.457 64.613 63.100 0.092 0.000 0.858 65 P CB 0.363 32.074 31.700 0.018 0.000 0.783 66 K N -1.111 119.273 120.400 -0.026 0.000 2.535 66 K HA 0.356 4.653 4.320 -0.039 0.000 0.251 66 K C -1.029 175.496 176.600 -0.126 0.000 0.942 66 K CA -0.575 55.624 56.287 -0.147 0.000 0.798 66 K CB 2.333 34.654 32.500 -0.299 0.000 1.267 66 K HN -0.211 nan 8.250 nan 0.000 0.434 67 E N 1.490 121.600 120.200 -0.149 0.000 2.369 67 E HA 0.648 4.974 4.350 -0.039 0.000 0.270 67 E C -1.257 175.303 176.600 -0.066 0.000 0.909 67 E CA -1.194 55.178 56.400 -0.046 0.000 0.775 67 E CB 1.910 31.602 29.700 -0.015 0.000 1.270 67 E HN 0.686 nan 8.360 nan 0.000 0.445 68 G N 2.289 111.130 108.800 0.069 0.000 2.590 68 G HA2 0.563 4.499 3.960 -0.039 0.000 0.310 68 G HA3 0.563 4.499 3.960 -0.039 0.000 0.310 68 G C -1.333 173.503 174.900 -0.106 0.000 1.347 68 G CA -0.506 44.587 45.100 -0.012 0.000 0.963 68 G HN 0.333 nan 8.290 nan 0.000 0.494 69 K N 1.281 121.409 120.400 -0.454 0.000 2.426 69 K HA 0.474 4.771 4.320 -0.039 0.000 0.251 69 K C -0.746 175.795 176.600 -0.097 0.000 0.941 69 K CA -0.826 55.363 56.287 -0.163 0.000 0.808 69 K CB 3.149 35.576 32.500 -0.121 0.000 1.265 69 K HN 0.291 nan 8.250 nan 0.000 0.432 70 K N 1.505 121.990 120.400 0.142 0.000 2.389 70 K HA 0.491 4.787 4.320 -0.039 0.000 0.261 70 K C -1.364 175.309 176.600 0.121 0.000 1.014 70 K CA -0.473 55.955 56.287 0.236 0.000 0.920 70 K CB 1.636 34.302 32.500 0.276 0.000 1.149 70 K HN 0.679 nan 8.250 nan 0.000 0.444 71 A N 3.370 126.248 122.820 0.097 0.000 2.360 71 A HA 0.654 4.950 4.320 -0.039 0.000 0.309 71 A C 0.563 178.187 177.584 0.067 0.000 1.311 71 A CA 0.057 52.131 52.037 0.062 0.000 0.805 71 A CB 0.377 19.396 19.000 0.032 0.000 1.144 71 A HN 0.889 nan 8.150 nan 0.000 0.486 72 G N 2.799 111.637 108.800 0.063 0.000 2.582 72 G HA2 -0.337 3.600 3.960 -0.039 0.000 0.288 72 G HA3 -0.337 3.600 3.960 -0.039 0.000 0.288 72 G C 0.242 175.182 174.900 0.067 0.000 1.247 72 G CA 0.568 45.701 45.100 0.055 0.000 0.972 72 G HN 0.911 nan 8.290 nan 0.000 0.557 73 N N 1.519 120.252 118.700 0.055 0.000 3.115 73 N HA 0.469 5.185 4.740 -0.039 0.000 0.305 73 N C 0.020 175.578 175.510 0.080 0.000 1.305 73 N CA 0.894 53.978 53.050 0.058 0.000 1.154 73 N CB 0.383 38.893 38.487 0.038 0.000 1.454 73 N HN 0.616 nan 8.380 nan 0.000 0.551 74 K N 0.182 120.650 120.400 0.113 0.000 2.597 74 K HA 0.463 4.760 4.320 -0.039 0.000 0.282 74 K C -2.223 174.524 176.600 0.244 0.000 0.975 74 K CA -0.753 55.623 56.287 0.149 0.000 0.867 74 K CB 1.138 33.691 32.500 0.089 0.000 1.465 74 K HN -0.010 nan 8.250 nan 0.000 0.417 75 F N 4.702 124.716 119.950 0.106 0.000 2.617 75 F HA 0.555 5.059 4.527 -0.038 0.000 0.325 75 F C -1.513 174.375 175.800 0.147 0.000 1.179 75 F CA -0.821 57.260 58.000 0.135 0.000 0.965 75 F CB 0.906 40.007 39.000 0.168 0.000 1.232 75 F HN 0.254 nan 8.300 nan 0.000 0.461 76 I N 7.031 127.308 120.570 -0.489 0.000 2.377 76 I HA 0.465 4.612 4.170 -0.039 0.000 0.293 76 I C -0.523 175.269 176.117 -0.541 0.000 0.987 76 I CA -1.068 59.999 61.300 -0.388 0.000 1.185 76 I CB 1.156 39.025 38.000 -0.219 0.000 1.341 76 I HN 0.251 nan 8.210 nan 0.000 0.455 77 V N 6.588 126.331 119.914 -0.285 0.000 2.459 77 V HA 0.508 4.605 4.120 -0.039 0.000 0.295 77 V C -0.001 176.001 176.094 -0.154 0.000 1.029 77 V CA -0.674 61.512 62.300 -0.190 0.000 0.874 77 V CB 2.394 34.232 31.823 0.024 0.000 0.985 77 V HN 0.486 nan 8.190 nan 0.000 0.438 78 V N 4.161 123.982 119.914 -0.155 0.000 2.447 78 V HA 0.398 4.495 4.120 -0.039 0.000 0.292 78 V C -0.265 175.773 176.094 -0.094 0.000 1.021 78 V CA -0.705 61.534 62.300 -0.103 0.000 0.850 78 V CB 1.577 33.358 31.823 -0.069 0.000 1.005 78 V HN 0.921 nan 8.190 nan 0.000 0.426 79 E N 3.746 123.899 120.200 -0.078 0.000 2.283 79 E HA 0.521 4.848 4.350 -0.039 0.000 0.278 79 E C -0.287 176.295 176.600 -0.031 0.000 1.027 79 E CA -0.408 55.959 56.400 -0.056 0.000 0.843 79 E CB 1.172 30.842 29.700 -0.050 0.000 1.062 79 E HN 0.459 nan 8.360 nan 0.000 0.401 80 R N 2.905 123.417 120.500 0.021 0.000 2.388 80 R HA 0.255 4.572 4.340 -0.039 0.000 0.314 80 R C -0.572 175.674 176.300 -0.090 0.000 0.959 80 R CA -0.536 55.550 56.100 -0.024 0.000 0.851 80 R CB 1.424 31.804 30.300 0.132 0.000 1.168 80 R HN 0.509 nan 8.270 nan 0.000 0.472 81 Q N 1.847 121.498 119.800 -0.248 0.000 2.235 81 Q HA 0.282 4.598 4.340 -0.039 0.000 0.256 81 Q C -0.731 174.965 176.000 -0.506 0.000 0.951 81 Q CA -0.690 54.952 55.803 -0.268 0.000 0.890 81 Q CB 2.673 31.288 28.738 -0.205 0.000 1.279 81 Q HN 0.252 nan 8.270 nan 0.000 0.444 82 K N 1.975 122.111 120.400 -0.440 0.000 2.156 82 K HA 0.397 4.694 4.320 -0.039 0.000 0.271 82 K C -0.902 175.445 176.600 -0.423 0.000 0.995 82 K CA -0.256 55.729 56.287 -0.502 0.000 0.890 82 K CB 0.845 33.157 32.500 -0.312 0.000 1.073 82 K HN 0.450 nan 8.250 nan 0.000 0.454 83 R N 2.018 122.167 120.500 -0.585 0.000 2.774 83 R HA 0.423 4.740 4.340 -0.039 0.000 0.272 83 R C -1.228 174.853 176.300 -0.365 0.000 1.000 83 R CA -1.117 54.670 56.100 -0.522 0.000 0.906 83 R CB 2.321 32.156 30.300 -0.774 0.000 1.227 83 R HN 0.519 nan 8.270 nan 0.000 0.468 84 S N 1.457 117.092 115.700 -0.108 0.000 2.594 84 S HA 0.465 4.912 4.470 -0.039 0.000 0.296 84 S C -1.412 173.260 174.600 0.120 0.000 1.124 84 S CA -0.623 57.595 58.200 0.030 0.000 1.011 84 S CB 1.395 64.598 63.200 0.004 0.000 1.016 84 S HN 0.330 nan 8.310 nan 0.000 0.485 85 L N 3.263 124.596 121.223 0.184 0.000 2.334 85 L HA 0.762 5.078 4.340 -0.039 0.000 0.276 85 L C -0.434 176.484 176.870 0.079 0.000 1.014 85 L CA 0.240 55.163 54.840 0.139 0.000 0.815 85 L CB 1.918 44.061 42.059 0.140 0.000 1.268 85 L HN 0.604 nan 8.230 nan 0.000 0.428 86 T N 2.554 117.142 114.554 0.056 0.000 2.881 86 T HA 0.748 5.075 4.350 -0.039 0.000 0.290 86 T C -0.951 173.766 174.700 0.027 0.000 1.000 86 T CA -0.498 61.630 62.100 0.047 0.000 0.978 86 T CB 1.470 70.371 68.868 0.055 0.000 0.997 86 T HN 0.736 nan 8.240 nan 0.000 0.443 87 T N 0.273 114.834 114.554 0.012 0.000 2.900 87 T HA 0.651 4.977 4.350 -0.039 0.000 0.295 87 T C -0.360 174.298 174.700 -0.070 0.000 1.044 87 T CA -0.959 61.124 62.100 -0.027 0.000 0.995 87 T CB 1.683 70.525 68.868 -0.043 0.000 1.072 87 T HN 0.292 nan 8.240 nan 0.000 0.473 88 S N 2.323 117.946 115.700 -0.130 0.000 2.300 88 S HA 0.377 4.824 4.470 -0.039 0.000 0.172 88 S C -2.768 171.686 174.600 -0.244 0.000 1.484 88 S CA -0.867 57.153 58.200 -0.301 0.000 1.265 88 S CB 0.019 63.016 63.200 -0.337 0.000 1.313 88 S HN 0.583 nan 8.310 nan 0.000 0.387 89 P HA 0.144 nan 4.420 nan 0.000 0.276 89 P C 1.076 178.257 177.300 -0.199 0.000 1.243 89 P CA -0.421 62.577 63.100 -0.170 0.000 0.768 89 P CB 0.890 32.501 31.700 -0.149 0.000 0.856 90 V N -0.519 119.290 119.914 -0.176 0.000 3.052 90 V HA 0.094 4.191 4.120 -0.039 0.000 0.254 90 V C 0.619 176.579 176.094 -0.223 0.000 1.100 90 V CA 0.783 62.972 62.300 -0.185 0.000 1.112 90 V CB -0.649 31.094 31.823 -0.133 0.000 0.738 90 V HN 0.279 nan 8.190 nan 0.000 0.469 91 D N 0.894 121.171 120.400 -0.205 0.000 2.277 91 D HA 0.463 5.080 4.640 -0.039 0.000 0.249 91 D C -0.803 175.322 176.300 -0.292 0.000 1.134 91 D CA -0.236 53.625 54.000 -0.231 0.000 0.863 91 D CB 1.209 41.911 40.800 -0.163 0.000 1.143 91 D HN 0.285 nan 8.370 nan 0.000 0.458 92 I N 2.382 122.686 120.570 -0.443 0.000 2.389 92 I HA 0.159 4.306 4.170 -0.039 0.000 0.288 92 I C 0.517 176.454 176.117 -0.300 0.000 0.999 92 I CA -0.388 60.639 61.300 -0.456 0.000 1.129 92 I CB 1.773 39.305 38.000 -0.779 0.000 1.288 92 I HN 0.162 nan 8.210 nan 0.000 0.444 93 S N 5.600 121.205 115.700 -0.158 0.000 2.576 93 S HA 0.520 4.967 4.470 -0.039 0.000 0.276 93 S C -0.018 174.576 174.600 -0.011 0.000 1.339 93 S CA -0.222 57.935 58.200 -0.072 0.000 1.039 93 S CB 0.324 63.498 63.200 -0.044 0.000 0.902 93 S HN 0.307 nan 8.310 nan 0.000 0.516 94 I N 3.854 124.434 120.570 0.016 0.000 2.385 94 I HA 0.258 4.405 4.170 -0.039 0.000 0.294 94 I C 1.359 177.481 176.117 0.007 0.000 0.988 94 I CA -0.197 61.124 61.300 0.035 0.000 1.265 94 I CB 1.356 39.372 38.000 0.027 0.000 1.388 94 I HN 0.685 nan 8.210 nan 0.000 0.480 95 I N 0.632 121.201 120.570 -0.001 0.000 2.480 95 I HA 0.136 4.283 4.170 -0.039 0.000 0.251 95 I C 0.380 176.483 176.117 -0.023 0.000 1.124 95 I CA 0.975 62.266 61.300 -0.016 0.000 1.444 95 I CB -0.040 37.945 38.000 -0.025 0.000 1.098 95 I HN 0.469 nan 8.210 nan 0.000 0.428 96 D N 0.718 121.101 120.400 -0.028 0.000 2.607 96 D HA 0.259 4.876 4.640 -0.039 0.000 0.318 96 D C 1.083 177.355 176.300 -0.047 0.000 1.212 96 D CA -0.135 53.839 54.000 -0.043 0.000 0.861 96 D CB 0.726 41.496 40.800 -0.049 0.000 1.064 96 D HN 0.047 nan 8.370 nan 0.000 0.500 97 S N -0.656 115.021 115.700 -0.037 0.000 2.393 97 S HA -0.257 4.190 4.470 -0.039 0.000 0.235 97 S C 2.133 176.714 174.600 -0.033 0.000 1.061 97 S CA 1.687 59.881 58.200 -0.011 0.000 1.129 97 S CB -0.333 62.863 63.200 -0.006 0.000 1.011 97 S HN 0.407 nan 8.310 nan 0.000 0.436 98 V N 2.473 122.247 119.914 -0.234 0.000 2.278 98 V HA -0.237 3.860 4.120 -0.039 0.000 0.251 98 V C 1.507 177.518 176.094 -0.138 0.000 1.062 98 V CA 2.235 64.247 62.300 -0.480 0.000 1.038 98 V CB -0.932 30.597 31.823 -0.490 0.000 0.646 98 V HN 0.456 nan 8.190 nan 0.000 0.447 99 N N -0.858 117.789 118.700 -0.088 0.000 2.236 99 N HA 0.096 4.813 4.740 -0.039 0.000 0.196 99 N C 0.083 175.551 175.510 -0.069 0.000 1.114 99 N CA -0.020 52.996 53.050 -0.056 0.000 0.859 99 N CB -0.064 38.384 38.487 -0.065 0.000 0.982 99 N HN 0.553 nan 8.380 nan 0.000 0.493 100 D N 0.186 120.564 120.400 -0.037 0.000 2.382 100 D HA 0.145 4.761 4.640 -0.039 0.000 0.245 100 D C 0.277 176.510 176.300 -0.112 0.000 1.120 100 D CA 0.127 54.095 54.000 -0.053 0.000 0.890 100 D CB 0.708 41.504 40.800 -0.008 0.000 1.201 100 D HN -0.082 nan 8.370 nan 0.000 0.433 101 R N 1.504 121.883 120.500 -0.201 0.000 2.767 101 R HA 0.243 4.559 4.340 -0.039 0.000 0.377 101 R C -0.467 175.852 176.300 0.032 0.000 1.151 101 R CA -0.308 55.544 56.100 -0.414 0.000 1.046 101 R CB 0.579 30.527 30.300 -0.586 0.000 1.404 101 R HN 0.372 nan 8.270 nan 0.000 0.580 102 T N 0.830 115.422 114.554 0.063 0.000 2.910 102 T HA 0.364 4.691 4.350 -0.039 0.000 0.293 102 T C -0.593 174.248 174.700 0.234 0.000 1.015 102 T CA -0.051 62.030 62.100 -0.031 0.000 1.094 102 T CB 0.698 69.379 68.868 -0.311 0.000 0.968 102 T HN 0.277 nan 8.240 nan 0.000 0.521 103 Y N -0.440 119.851 120.300 -0.015 0.000 2.677 103 Y HA 0.629 5.155 4.550 -0.040 0.000 0.334 103 Y C -3.388 172.519 175.900 0.011 0.000 1.196 103 Y CA -3.209 54.935 58.100 0.074 0.000 1.059 103 Y CB 0.092 38.631 38.460 0.132 0.000 1.315 103 Y HN 0.351 nan 8.280 nan 0.000 0.455 104 P HA 0.302 nan 4.420 nan 0.000 0.272 104 P C 0.728 178.061 177.300 0.055 0.000 1.223 104 P CA 1.588 64.726 63.100 0.062 0.000 0.784 104 P CB 1.083 32.860 31.700 0.129 0.000 0.923 105 G N 0.179 108.960 108.800 -0.031 0.000 2.184 105 G HA2 -0.202 3.735 3.960 -0.039 0.000 0.264 105 G HA3 -0.202 3.735 3.960 -0.039 0.000 0.264 105 G C 0.518 175.352 174.900 -0.109 0.000 0.975 105 G CA 0.186 45.273 45.100 -0.022 0.000 0.642 105 G HN 0.859 nan 8.290 nan 0.000 0.536 106 A N -0.497 122.093 122.820 -0.385 0.000 2.327 106 A HA 0.759 5.055 4.320 -0.039 0.000 0.255 106 A C 0.303 177.724 177.584 -0.271 0.000 1.099 106 A CA 0.281 51.996 52.037 -0.535 0.000 0.801 106 A CB 0.404 18.699 19.000 -1.175 0.000 1.062 106 A HN 0.987 nan 8.150 nan 0.000 0.496 107 L N 0.648 121.759 121.223 -0.187 0.000 2.376 107 L HA 0.426 4.743 4.340 -0.039 0.000 0.275 107 L C -0.128 176.702 176.870 -0.066 0.000 0.987 107 L CA -0.352 54.428 54.840 -0.100 0.000 0.828 107 L CB 1.649 43.669 42.059 -0.064 0.000 1.249 107 L HN 0.915 nan 8.230 nan 0.000 0.409 108 Q N 3.394 123.167 119.800 -0.045 0.000 2.892 108 Q HA 0.738 5.054 4.340 -0.039 0.000 0.307 108 Q C -1.289 174.720 176.000 0.015 0.000 1.039 108 Q CA -1.112 54.676 55.803 -0.025 0.000 0.792 108 Q CB 2.686 31.397 28.738 -0.044 0.000 1.504 108 Q HN 0.431 nan 8.270 nan 0.000 0.487 109 L N 0.680 121.913 121.223 0.017 0.000 2.329 109 L HA 0.593 4.910 4.340 -0.039 0.000 0.279 109 L C -0.254 176.633 176.870 0.028 0.000 1.014 109 L CA -1.031 53.831 54.840 0.036 0.000 0.814 109 L CB 1.659 43.736 42.059 0.031 0.000 1.257 109 L HN 0.770 nan 8.230 nan 0.000 0.424 110 A N 2.465 125.312 122.820 0.045 0.000 3.026 110 A HA 0.256 4.553 4.320 -0.039 0.000 0.272 110 A C -0.211 177.395 177.584 0.036 0.000 1.782 110 A CA -0.355 51.705 52.037 0.039 0.000 1.451 110 A CB -1.057 18.018 19.000 0.124 0.000 1.081 110 A HN 0.732 nan 8.150 nan 0.000 0.611 111 D N -0.582 119.832 120.400 0.023 0.000 2.553 111 D HA 0.243 4.860 4.640 -0.039 0.000 0.249 111 D C 0.515 176.823 176.300 0.013 0.000 1.062 111 D CA -0.781 53.231 54.000 0.020 0.000 1.085 111 D CB 0.577 41.388 40.800 0.018 0.000 1.350 111 D HN 0.128 nan 8.370 nan 0.000 0.575 112 K N -0.291 120.116 120.400 0.011 0.000 2.280 112 K HA -0.017 4.280 4.320 -0.039 0.000 0.202 112 K C 1.823 178.423 176.600 0.000 0.000 1.047 112 K CA 1.098 57.388 56.287 0.006 0.000 0.942 112 K CB -0.225 32.278 32.500 0.005 0.000 0.739 112 K HN 0.458 nan 8.250 nan 0.000 0.457 113 A N 2.135 124.956 122.820 0.001 0.000 1.877 113 A HA -0.168 4.129 4.320 -0.039 0.000 0.216 113 A C 2.176 179.760 177.584 -0.000 0.000 1.186 113 A CA 1.256 53.292 52.037 -0.002 0.000 0.620 113 A CB -0.559 18.440 19.000 -0.002 0.000 0.822 113 A HN 0.273 nan 8.150 nan 0.000 0.443 114 L N 0.296 121.522 121.223 0.005 0.000 1.990 114 L HA -0.141 4.175 4.340 -0.039 0.000 0.213 114 L C 2.282 179.153 176.870 0.001 0.000 1.072 114 L CA 2.327 57.175 54.840 0.013 0.000 0.755 114 L CB -1.000 41.067 42.059 0.014 0.000 0.889 114 L HN 0.134 nan 8.230 nan 0.000 0.432 115 V N -0.095 119.814 119.914 -0.008 0.000 2.392 115 V HA -0.282 3.815 4.120 -0.039 0.000 0.249 115 V C 2.077 178.158 176.094 -0.021 0.000 1.059 115 V CA 1.999 64.288 62.300 -0.018 0.000 1.051 115 V CB -0.823 30.994 31.823 -0.009 0.000 0.658 115 V HN 0.528 nan 8.190 nan 0.000 0.455 116 E N -0.211 119.979 120.200 -0.016 0.000 2.321 116 E HA 0.086 4.412 4.350 -0.039 0.000 0.189 116 E C 0.232 176.821 176.600 -0.019 0.000 1.125 116 E CA -0.089 56.299 56.400 -0.021 0.000 1.005 116 E CB -0.479 29.209 29.700 -0.018 0.000 1.140 116 E HN 0.692 nan 8.360 nan 0.000 0.457 117 N N 1.261 119.953 118.700 -0.013 0.000 2.735 117 N HA -0.245 4.472 4.740 -0.039 0.000 0.248 117 N C -0.976 174.534 175.510 0.001 0.000 1.083 117 N CA 0.986 54.035 53.050 -0.002 0.000 0.703 117 N CB -0.724 37.753 38.487 -0.016 0.000 1.005 117 N HN 0.282 nan 8.380 nan 0.000 0.550 118 R N -2.827 117.674 120.500 0.001 0.000 2.994 118 R HA 0.252 4.569 4.340 -0.039 0.000 0.219 118 R C -3.227 173.069 176.300 -0.006 0.000 1.645 118 R CA -1.273 54.823 56.100 -0.008 0.000 1.362 118 R CB 0.743 31.033 30.300 -0.016 0.000 1.572 118 R HN -0.036 nan 8.270 nan 0.000 0.659 119 P HA 0.041 nan 4.420 nan 0.000 0.272 119 P C -0.492 176.798 177.300 -0.016 0.000 1.240 119 P CA 0.082 63.181 63.100 -0.001 0.000 0.791 119 P CB 0.889 32.596 31.700 0.012 0.000 0.978 120 T N 2.619 117.166 114.554 -0.011 0.000 2.738 120 T HA 0.334 4.661 4.350 -0.039 0.000 0.298 120 T C 0.347 175.038 174.700 -0.016 0.000 0.962 120 T CA -0.309 61.784 62.100 -0.011 0.000 0.972 120 T CB -0.189 68.678 68.868 -0.002 0.000 0.928 120 T HN 0.160 nan 8.240 nan 0.000 0.474 121 I N 4.487 125.045 120.570 -0.021 0.000 2.371 121 I HA 0.225 4.372 4.170 -0.039 0.000 0.290 121 I C 0.408 176.528 176.117 0.005 0.000 1.028 121 I CA -0.483 60.803 61.300 -0.023 0.000 1.345 121 I CB 0.791 38.778 38.000 -0.020 0.000 1.407 121 I HN 0.450 nan 8.210 nan 0.000 0.501 122 L N 7.129 128.359 121.223 0.012 0.000 2.278 122 L HA 0.337 4.653 4.340 -0.039 0.000 0.287 122 L C 0.111 177.012 176.870 0.051 0.000 1.072 122 L CA 0.009 54.874 54.840 0.041 0.000 0.819 122 L CB 0.501 42.603 42.059 0.072 0.000 1.176 122 L HN 0.493 nan 8.230 nan 0.000 0.435 123 M N 5.704 125.336 119.600 0.054 0.000 2.047 123 M HA 0.402 4.859 4.480 -0.039 0.000 0.342 123 M C -0.659 175.681 176.300 0.067 0.000 1.058 123 M CA -0.516 54.820 55.300 0.060 0.000 0.991 123 M CB 1.431 34.062 32.600 0.052 0.000 1.474 123 M HN 0.449 nan 8.290 nan 0.000 0.419 124 V N 0.758 120.720 119.914 0.080 0.000 3.049 124 V HA 0.568 4.664 4.120 -0.039 0.000 0.309 124 V C -0.696 175.449 176.094 0.086 0.000 1.148 124 V CA -1.215 61.146 62.300 0.102 0.000 0.990 124 V CB 2.054 33.989 31.823 0.187 0.000 1.039 124 V HN 0.754 nan 8.190 nan 0.000 0.430 125 K N 3.518 123.968 120.400 0.083 0.000 2.447 125 K HA 0.326 4.622 4.320 -0.039 0.000 0.281 125 K C 0.138 176.785 176.600 0.080 0.000 1.031 125 K CA -0.112 56.215 56.287 0.066 0.000 1.019 125 K CB 0.369 32.905 32.500 0.060 0.000 0.918 125 K HN 0.963 nan 8.250 nan 0.000 0.476 126 R N 2.410 122.936 120.500 0.043 0.000 2.885 126 R HA 0.393 4.710 4.340 -0.039 0.000 0.260 126 R C -0.939 175.371 176.300 0.017 0.000 1.107 126 R CA -1.040 55.074 56.100 0.022 0.000 0.978 126 R CB 0.825 31.079 30.300 -0.076 0.000 1.227 126 R HN 0.307 nan 8.270 nan 0.000 0.473 127 K N 0.730 121.135 120.400 0.009 0.000 2.126 127 K HA 0.335 4.632 4.320 -0.039 0.000 0.257 127 K C -2.242 174.358 176.600 0.001 0.000 1.007 127 K CA -1.651 54.646 56.287 0.016 0.000 0.928 127 K CB 0.622 33.140 32.500 0.031 0.000 1.013 127 K HN 0.383 nan 8.250 nan 0.000 0.473 128 P HA 0.106 nan 4.420 nan 0.000 0.271 128 P C -0.875 176.427 177.300 0.005 0.000 1.233 128 P CA -0.023 63.080 63.100 0.005 0.000 0.789 128 P CB 0.493 32.198 31.700 0.007 0.000 0.951 129 I N 0.422 120.996 120.570 0.007 0.000 2.841 129 I HA 0.345 4.492 4.170 -0.039 0.000 0.298 129 I C -1.276 174.850 176.117 0.015 0.000 1.304 129 I CA -0.828 60.478 61.300 0.011 0.000 1.019 129 I CB 2.154 40.160 38.000 0.011 0.000 1.282 129 I HN 0.108 nan 8.210 nan 0.000 0.432 130 N N 5.935 124.646 118.700 0.018 0.000 2.455 130 N HA 0.587 5.304 4.740 -0.039 0.000 0.280 130 N C -1.188 174.338 175.510 0.027 0.000 1.055 130 N CA -0.231 52.831 53.050 0.019 0.000 0.961 130 N CB 1.522 40.021 38.487 0.019 0.000 1.121 130 N HN 0.461 nan 8.380 nan 0.000 0.476 131 I N 1.599 122.184 120.570 0.026 0.000 2.693 131 I HA 0.473 4.620 4.170 -0.039 0.000 0.303 131 I C -1.249 174.887 176.117 0.031 0.000 1.025 131 I CA -0.901 60.421 61.300 0.036 0.000 1.086 131 I CB 1.359 39.382 38.000 0.037 0.000 1.268 131 I HN 0.653 nan 8.210 nan 0.000 0.440 132 N N 6.644 125.370 118.700 0.043 0.000 2.336 132 N HA 0.458 5.174 4.740 -0.039 0.000 0.290 132 N C -1.127 174.413 175.510 0.050 0.000 1.058 132 N CA -0.620 52.453 53.050 0.039 0.000 0.865 132 N CB 2.376 40.889 38.487 0.044 0.000 1.581 132 N HN 0.456 nan 8.380 nan 0.000 0.480 133 I N 0.937 121.520 120.570 0.022 0.000 2.488 133 I HA 0.304 4.451 4.170 -0.039 0.000 0.299 133 I C -0.298 175.846 176.117 0.046 0.000 0.984 133 I CA -0.580 60.723 61.300 0.004 0.000 1.250 133 I CB 1.037 38.955 38.000 -0.137 0.000 1.389 133 I HN 0.717 nan 8.210 nan 0.000 0.488 134 D N 7.211 127.664 120.400 0.087 0.000 2.738 134 D HA 0.149 4.766 4.640 -0.039 0.000 0.246 134 D C -0.031 176.340 176.300 0.118 0.000 1.270 134 D CA -0.253 53.811 54.000 0.107 0.000 0.833 134 D CB -0.136 40.732 40.800 0.115 0.000 1.040 134 D HN 0.306 nan 8.370 nan 0.000 0.487 135 L N 1.082 122.350 121.223 0.076 0.000 2.461 135 L HA 0.217 4.534 4.340 -0.039 0.000 0.272 135 L C -1.594 175.389 176.870 0.188 0.000 1.197 135 L CA -1.330 53.538 54.840 0.046 0.000 0.836 135 L CB 0.470 42.419 42.059 -0.182 0.000 1.105 135 L HN -0.003 nan 8.230 nan 0.000 0.477 136 P HA 0.023 nan 4.420 nan 0.000 0.270 136 P C 0.111 177.624 177.300 0.355 0.000 1.223 136 P CA 0.065 63.310 63.100 0.242 0.000 0.785 136 P CB 0.499 32.301 31.700 0.170 0.000 0.923 137 G N 0.914 109.841 108.800 0.211 0.000 2.372 137 G HA2 -0.191 3.746 3.960 -0.039 0.000 0.297 137 G HA3 -0.191 3.746 3.960 -0.039 0.000 0.297 137 G C 0.039 175.123 174.900 0.306 0.000 1.005 137 G CA 0.146 45.374 45.100 0.214 0.000 1.173 137 G HN 0.546 nan 8.290 nan 0.000 0.511 138 L N -0.620 120.746 121.223 0.237 0.000 3.521 138 L HA 0.316 4.633 4.340 -0.039 0.000 0.323 138 L C 1.255 178.198 176.870 0.122 0.000 1.268 138 L CA 0.105 55.066 54.840 0.203 0.000 1.064 138 L CB 0.202 42.430 42.059 0.282 0.000 1.455 138 L HN 0.529 nan 8.230 nan 0.000 0.622 139 K N -0.328 120.134 120.400 0.103 0.000 2.489 139 K HA 0.402 4.699 4.320 -0.039 0.000 0.278 139 K C 1.044 177.675 176.600 0.051 0.000 1.000 139 K CA 0.642 56.971 56.287 0.071 0.000 1.012 139 K CB -0.063 32.474 32.500 0.062 0.000 0.903 139 K HN 0.177 nan 8.250 nan 0.000 0.485 140 G N 2.016 110.840 108.800 0.041 0.000 2.155 140 G HA2 -0.306 3.631 3.960 -0.039 0.000 0.257 140 G HA3 -0.306 3.631 3.960 -0.039 0.000 0.257 140 G C 0.234 175.147 174.900 0.021 0.000 0.983 140 G CA 0.663 45.779 45.100 0.027 0.000 0.676 140 G HN 0.806 nan 8.290 nan 0.000 0.528 141 E N -0.904 119.314 120.200 0.031 0.000 2.642 141 E HA 0.020 4.347 4.350 -0.039 0.000 0.206 141 E C 1.745 178.367 176.600 0.036 0.000 0.939 141 E CA 0.262 56.676 56.400 0.023 0.000 1.372 141 E CB -0.099 29.608 29.700 0.011 0.000 1.334 141 E HN 0.408 nan 8.360 nan 0.000 0.709 142 N N 0.555 119.286 118.700 0.051 0.000 2.457 142 N HA -0.016 4.701 4.740 -0.039 0.000 0.180 142 N C 0.411 175.938 175.510 0.029 0.000 1.050 142 N CA 0.401 53.483 53.050 0.053 0.000 0.906 142 N CB 0.265 38.793 38.487 0.069 0.000 0.968 142 N HN -0.169 nan 8.380 nan 0.000 0.445 143 S N 0.501 116.216 115.700 0.024 0.000 2.585 143 S HA 0.588 5.034 4.470 -0.039 0.000 0.277 143 S C -0.242 174.362 174.600 0.007 0.000 1.241 143 S CA -0.699 57.511 58.200 0.017 0.000 1.041 143 S CB 1.593 64.806 63.200 0.021 0.000 0.987 143 S HN 0.292 nan 8.310 nan 0.000 0.512 144 I N 1.490 122.062 120.570 0.003 0.000 2.802 144 I HA 0.434 4.581 4.170 -0.039 0.000 0.298 144 I C -1.160 174.956 176.117 -0.002 0.000 1.176 144 I CA -0.702 60.595 61.300 -0.005 0.000 1.025 144 I CB 1.932 39.922 38.000 -0.017 0.000 1.243 144 I HN 0.446 nan 8.210 nan 0.000 0.424 145 K N 5.897 126.295 120.400 -0.004 0.000 2.235 145 K HA 0.580 4.876 4.320 -0.039 0.000 0.266 145 K C -1.731 174.864 176.600 -0.008 0.000 0.980 145 K CA -0.526 55.760 56.287 -0.002 0.000 0.849 145 K CB 1.581 34.081 32.500 0.001 0.000 1.098 145 K HN 0.420 nan 8.250 nan 0.000 0.445 146 V N 5.222 125.132 119.914 -0.007 0.000 2.311 146 V HA 0.042 4.139 4.120 -0.039 0.000 0.275 146 V C 0.476 176.564 176.094 -0.010 0.000 1.022 146 V CA -0.576 61.715 62.300 -0.016 0.000 0.830 146 V CB 1.134 32.946 31.823 -0.019 0.000 1.012 146 V HN 0.888 nan 8.190 nan 0.000 0.452 147 D N 2.084 122.476 120.400 -0.013 0.000 2.092 147 D HA -0.115 4.501 4.640 -0.039 0.000 0.193 147 D C 0.872 177.168 176.300 -0.007 0.000 0.994 147 D CA 1.635 55.630 54.000 -0.007 0.000 0.828 147 D CB 0.287 41.082 40.800 -0.008 0.000 0.963 147 D HN 0.579 nan 8.370 nan 0.000 0.450 148 D N 0.275 120.666 120.400 -0.014 0.000 2.434 148 D HA 0.146 4.763 4.640 -0.039 0.000 0.275 148 D C -2.630 173.656 176.300 -0.023 0.000 1.172 148 D CA -1.873 52.120 54.000 -0.012 0.000 0.916 148 D CB 1.393 42.186 40.800 -0.011 0.000 1.041 148 D HN -0.047 nan 8.370 nan 0.000 0.501 149 P HA 0.016 nan 4.420 nan 0.000 0.262 149 P C -0.241 177.049 177.300 -0.017 0.000 1.199 149 P CA 0.235 63.334 63.100 -0.002 0.000 0.763 149 P CB 0.632 32.374 31.700 0.070 0.000 0.790 150 T N -0.025 114.421 114.554 -0.180 0.000 2.792 150 T HA 0.183 4.510 4.350 -0.039 0.000 0.303 150 T C 0.523 174.788 174.700 -0.725 0.000 1.310 150 T CA -0.632 61.306 62.100 -0.270 0.000 1.007 150 T CB 0.749 69.545 68.868 -0.120 0.000 1.335 150 T HN 0.241 nan 8.240 nan 0.000 0.504 151 Y N 1.977 121.743 120.300 -0.890 0.000 2.053 151 Y HA 0.011 4.537 4.550 -0.040 0.000 0.277 151 Y C 2.429 178.079 175.900 -0.418 0.000 1.159 151 Y CA 2.703 60.294 58.100 -0.850 0.000 1.125 151 Y CB -1.009 37.272 38.460 -0.299 0.000 0.969 151 Y HN 0.846 nan 8.280 nan 0.000 0.492 152 G N 0.419 108.998 108.800 -0.369 0.000 2.432 152 G HA2 -0.219 3.717 3.960 -0.039 0.000 0.219 152 G HA3 -0.219 3.717 3.960 -0.039 0.000 0.219 152 G C 1.783 176.493 174.900 -0.316 0.000 1.135 152 G CA 0.807 45.693 45.100 -0.356 0.000 0.767 152 G HN 0.244 nan 8.290 nan 0.000 0.550 153 K N 0.203 120.442 120.400 -0.269 0.000 2.025 153 K HA 0.033 4.329 4.320 -0.039 0.000 0.207 153 K C 2.703 179.172 176.600 -0.218 0.000 1.049 153 K CA 0.755 56.923 56.287 -0.198 0.000 0.933 153 K CB -0.652 31.761 32.500 -0.145 0.000 0.714 153 K HN 0.250 nan 8.250 nan 0.000 0.438 154 V N 1.227 120.966 119.914 -0.291 0.000 2.358 154 V HA -0.202 3.894 4.120 -0.039 0.000 0.246 154 V C 2.292 178.251 176.094 -0.226 0.000 1.047 154 V CA 1.678 63.852 62.300 -0.211 0.000 1.035 154 V CB -0.429 31.293 31.823 -0.169 0.000 0.658 154 V HN 0.244 nan 8.190 nan 0.000 0.452 155 S N 0.912 116.390 115.700 -0.370 0.000 2.359 155 S HA -0.209 4.238 4.470 -0.039 0.000 0.223 155 S C 2.134 176.589 174.600 -0.241 0.000 1.039 155 S CA 1.669 59.655 58.200 -0.356 0.000 1.042 155 S CB -0.985 61.871 63.200 -0.572 0.000 0.915 155 S HN 0.692 nan 8.310 nan 0.000 0.439 156 G N 1.225 109.893 108.800 -0.219 0.000 2.475 156 G HA2 -0.099 3.838 3.960 -0.039 0.000 0.220 156 G HA3 -0.099 3.838 3.960 -0.039 0.000 0.220 156 G C 1.500 176.327 174.900 -0.122 0.000 1.125 156 G CA 1.102 46.113 45.100 -0.149 0.000 0.755 156 G HN 0.596 nan 8.290 nan 0.000 0.565 157 A N 1.081 123.828 122.820 -0.123 0.000 1.845 157 A HA 0.026 4.322 4.320 -0.039 0.000 0.215 157 A C 2.391 179.913 177.584 -0.103 0.000 1.195 157 A CA 1.359 53.340 52.037 -0.093 0.000 0.616 157 A CB -0.431 18.523 19.000 -0.077 0.000 0.832 157 A HN 0.348 nan 8.150 nan 0.000 0.443 158 I N -0.076 120.416 120.570 -0.130 0.000 2.113 158 I HA -0.342 3.805 4.170 -0.039 0.000 0.242 158 I C 2.133 178.147 176.117 -0.172 0.000 1.064 158 I CA 2.130 63.328 61.300 -0.171 0.000 1.320 158 I CB -0.953 36.913 38.000 -0.224 0.000 1.028 158 I HN 0.294 nan 8.210 nan 0.000 0.406 159 D N 0.677 120.986 120.400 -0.153 0.000 2.149 159 D HA -0.219 4.398 4.640 -0.039 0.000 0.194 159 D C 2.129 178.379 176.300 -0.084 0.000 1.001 159 D CA 1.431 55.361 54.000 -0.117 0.000 0.849 159 D CB -0.101 40.637 40.800 -0.103 0.000 0.939 159 D HN 0.394 nan 8.370 nan 0.000 0.449 160 E N -0.212 119.941 120.200 -0.078 0.000 2.017 160 E HA -0.159 4.167 4.350 -0.039 0.000 0.193 160 E C 2.373 178.949 176.600 -0.040 0.000 0.997 160 E CA 0.580 56.949 56.400 -0.051 0.000 0.804 160 E CB -0.173 29.497 29.700 -0.050 0.000 0.757 160 E HN 0.261 nan 8.360 nan 0.000 0.448 161 L N 0.640 121.828 121.223 -0.058 0.000 2.021 161 L HA -0.280 4.037 4.340 -0.039 0.000 0.215 161 L C 2.569 179.432 176.870 -0.013 0.000 1.074 161 L CA 1.147 55.961 54.840 -0.042 0.000 0.760 161 L CB -0.728 41.278 42.059 -0.087 0.000 0.889 161 L HN 0.109 nan 8.230 nan 0.000 0.433 162 V N -0.771 119.093 119.914 -0.082 0.000 2.287 162 V HA -0.301 3.796 4.120 -0.039 0.000 0.248 162 V C 2.545 178.702 176.094 0.105 0.000 1.053 162 V CA 2.189 64.463 62.300 -0.044 0.000 1.027 162 V CB -0.541 31.212 31.823 -0.117 0.000 0.646 162 V HN 0.411 nan 8.190 nan 0.000 0.447 163 S N -0.681 115.050 115.700 0.052 0.000 2.382 163 S HA -0.251 4.196 4.470 -0.039 0.000 0.228 163 S C 1.996 176.643 174.600 0.078 0.000 1.027 163 S CA 1.752 59.991 58.200 0.066 0.000 0.991 163 S CB -0.335 62.875 63.200 0.017 0.000 0.823 163 S HN 0.622 nan 8.310 nan 0.000 0.469 164 K N -0.217 120.221 120.400 0.062 0.000 2.097 164 K HA -0.173 4.123 4.320 -0.039 0.000 0.206 164 K C 1.900 178.539 176.600 0.065 0.000 1.049 164 K CA 1.267 57.575 56.287 0.035 0.000 0.933 164 K CB -0.192 32.323 32.500 0.025 0.000 0.717 164 K HN 0.510 nan 8.250 nan 0.000 0.442 165 W N 1.708 123.003 121.300 -0.010 0.000 2.413 165 W HA -0.096 4.541 4.660 -0.037 0.000 0.315 165 W C 1.712 178.287 176.519 0.092 0.000 1.186 165 W CA 1.222 58.612 57.345 0.074 0.000 1.326 165 W CB -0.280 29.244 29.460 0.107 0.000 1.153 165 W HN 0.085 nan 8.180 nan 0.000 0.489 166 N N 0.768 119.785 118.700 0.528 0.000 2.334 166 N HA -0.220 4.497 4.740 -0.039 0.000 0.187 166 N C 1.381 176.942 175.510 0.086 0.000 1.016 166 N CA 1.808 55.083 53.050 0.374 0.000 0.879 166 N CB -0.334 38.317 38.487 0.274 0.000 0.965 166 N HN 0.350 nan 8.380 nan 0.000 0.438 167 E N 1.240 121.435 120.200 -0.007 0.000 2.030 167 E HA -0.032 4.295 4.350 -0.039 0.000 0.189 167 E C 1.801 178.263 176.600 -0.230 0.000 0.974 167 E CA 1.122 57.467 56.400 -0.091 0.000 0.807 167 E CB -0.197 29.456 29.700 -0.079 0.000 0.771 167 E HN 0.139 nan 8.360 nan 0.000 0.451 168 K N -1.183 118.977 120.400 -0.400 0.000 2.152 168 K HA -0.131 4.165 4.320 -0.039 0.000 0.206 168 K C -0.246 175.781 176.600 -0.956 0.000 1.048 168 K CA 1.071 56.919 56.287 -0.732 0.000 0.933 168 K CB -0.059 31.823 32.500 -1.029 0.000 0.721 168 K HN 0.190 nan 8.250 nan 0.000 0.447 169 Y N -0.129 119.883 120.300 -0.479 0.000 2.555 169 Y HA 0.214 4.743 4.550 -0.035 0.000 0.326 169 Y C 0.503 176.258 175.900 -0.241 0.000 0.984 169 Y CA -0.912 56.891 58.100 -0.495 0.000 1.298 169 Y CB 1.948 39.779 38.460 -1.048 0.000 1.094 169 Y HN -0.062 nan 8.280 nan 0.000 0.500 170 S N -0.281 115.407 115.700 -0.020 0.000 2.486 170 S HA -0.100 4.347 4.470 -0.039 0.000 0.220 170 S C 1.834 176.475 174.600 0.069 0.000 1.011 170 S CA 0.649 58.868 58.200 0.031 0.000 0.921 170 S CB 0.134 63.331 63.200 -0.005 0.000 0.785 170 S HN 0.638 nan 8.310 nan 0.000 0.517 171 S N 1.513 117.244 115.700 0.052 0.000 2.353 171 S HA -0.044 4.402 4.470 -0.039 0.000 0.222 171 S C 0.982 175.625 174.600 0.072 0.000 1.035 171 S CA 1.071 59.300 58.200 0.050 0.000 1.025 171 S CB -0.285 62.930 63.200 0.026 0.000 0.902 171 S HN 0.432 nan 8.310 nan 0.000 0.440 172 T N 0.828 115.430 114.554 0.081 0.000 2.887 172 T HA 0.493 4.820 4.350 -0.039 0.000 0.288 172 T C -0.083 174.722 174.700 0.174 0.000 1.021 172 T CA -0.622 61.508 62.100 0.049 0.000 1.000 172 T CB 1.463 70.319 68.868 -0.020 0.000 1.034 172 T HN 0.629 nan 8.240 nan 0.000 0.467 173 H N -1.199 117.923 119.070 0.087 0.000 2.662 173 H HA 0.464 4.999 4.556 -0.035 0.000 0.268 173 H C 0.213 175.494 175.328 -0.079 0.000 1.152 173 H CA -0.557 55.549 56.048 0.096 0.000 1.072 173 H CB 0.114 29.922 29.762 0.076 0.000 1.660 173 H HN 0.488 nan 8.280 nan 0.000 0.584 174 T N -0.250 114.099 114.554 -0.341 0.000 2.881 174 T HA 0.637 4.963 4.350 -0.039 0.000 0.290 174 T C -0.820 173.596 174.700 -0.473 0.000 1.000 174 T CA -0.800 61.031 62.100 -0.449 0.000 0.978 174 T CB 1.765 70.384 68.868 -0.416 0.000 0.997 174 T HN 0.241 nan 8.240 nan 0.000 0.443 175 L N 2.905 123.653 121.223 -0.792 0.000 2.309 175 L HA 0.678 4.995 4.340 -0.039 0.000 0.261 175 L C -2.575 173.985 176.870 -0.516 0.000 1.021 175 L CA -3.073 51.392 54.840 -0.625 0.000 0.823 175 L CB 2.549 44.195 42.059 -0.689 0.000 1.366 175 L HN 0.424 nan 8.230 nan 0.000 0.423 176 P HA 0.196 nan 4.420 nan 0.000 0.276 176 P C -1.019 176.375 177.300 0.156 0.000 1.230 176 P CA -0.261 62.819 63.100 -0.033 0.000 0.776 176 P CB 0.930 32.628 31.700 -0.004 0.000 0.888 177 A N 4.027 126.995 122.820 0.247 0.000 2.302 177 A HA 0.391 4.687 4.320 -0.039 0.000 0.285 177 A C 0.142 177.867 177.584 0.236 0.000 1.105 177 A CA -0.660 51.617 52.037 0.400 0.000 0.816 177 A CB 0.286 19.551 19.000 0.442 0.000 1.067 177 A HN 0.447 nan 8.150 nan 0.000 0.489 178 R N 1.629 122.251 120.500 0.203 0.000 2.593 178 R HA 0.266 4.583 4.340 -0.039 0.000 0.282 178 R C -0.628 175.730 176.300 0.097 0.000 1.300 178 R CA -0.055 56.119 56.100 0.123 0.000 1.221 178 R CB 0.205 30.561 30.300 0.095 0.000 1.157 178 R HN 0.684 nan 8.270 nan 0.000 0.555 179 T N 2.517 117.138 114.554 0.112 0.000 2.907 179 T HA 0.102 4.429 4.350 -0.039 0.000 0.298 179 T C 0.198 174.948 174.700 0.083 0.000 1.017 179 T CA -0.125 62.045 62.100 0.117 0.000 1.118 179 T CB 1.076 70.055 68.868 0.185 0.000 0.948 179 T HN 0.397 nan 8.240 nan 0.000 0.531 180 Q N 1.720 121.548 119.800 0.046 0.000 2.320 180 Q HA 0.304 4.620 4.340 -0.039 0.000 0.268 180 Q C -1.474 174.500 176.000 -0.043 0.000 1.023 180 Q CA -0.660 55.148 55.803 0.008 0.000 0.744 180 Q CB 1.906 30.625 28.738 -0.032 0.000 1.246 180 Q HN 0.734 nan 8.270 nan 0.000 0.462 181 Y N 1.529 121.722 120.300 -0.179 0.000 2.299 181 Y HA 0.410 4.934 4.550 -0.044 0.000 0.326 181 Y C -0.624 175.128 175.900 -0.248 0.000 1.164 181 Y CA 0.300 58.200 58.100 -0.333 0.000 1.234 181 Y CB 1.036 39.310 38.460 -0.309 0.000 1.219 181 Y HN 0.492 nan 8.280 nan 0.000 0.497 182 S N 4.819 119.934 115.700 -0.975 0.000 2.546 182 S HA 0.488 4.934 4.470 -0.039 0.000 0.274 182 S C -1.547 172.530 174.600 -0.872 0.000 1.121 182 S CA -1.078 56.739 58.200 -0.640 0.000 0.887 182 S CB 2.053 65.041 63.200 -0.353 0.000 1.094 182 S HN 0.730 nan 8.310 nan 0.000 0.474 183 E N 0.144 120.075 120.200 -0.449 0.000 2.412 183 E HA 0.754 5.081 4.350 -0.039 0.000 0.279 183 E C -1.463 175.065 176.600 -0.120 0.000 0.984 183 E CA -0.748 55.479 56.400 -0.289 0.000 0.788 183 E CB 1.996 31.611 29.700 -0.143 0.000 1.277 183 E HN 0.576 nan 8.360 nan 0.000 0.455 184 S N 2.356 118.005 115.700 -0.085 0.000 2.678 184 S HA 0.321 4.767 4.470 -0.039 0.000 0.290 184 S C -1.194 173.343 174.600 -0.104 0.000 1.047 184 S CA -0.882 57.278 58.200 -0.067 0.000 0.851 184 S CB 0.932 64.084 63.200 -0.081 0.000 1.058 184 S HN 0.530 nan 8.310 nan 0.000 0.451 185 M N 2.991 122.498 119.600 -0.155 0.000 2.255 185 M HA 0.378 4.835 4.480 -0.039 0.000 0.336 185 M C -0.208 175.767 176.300 -0.543 0.000 1.135 185 M CA -0.451 54.656 55.300 -0.322 0.000 1.145 185 M CB 0.809 33.157 32.600 -0.420 0.000 1.473 185 M HN 0.537 nan 8.290 nan 0.000 0.462 186 V N 3.335 122.950 119.914 -0.499 0.000 2.383 186 V HA 0.177 4.273 4.120 -0.039 0.000 0.275 186 V C -0.085 175.735 176.094 -0.456 0.000 1.036 186 V CA -0.195 61.865 62.300 -0.399 0.000 0.889 186 V CB 0.233 31.884 31.823 -0.286 0.000 0.985 186 V HN 0.790 nan 8.190 nan 0.000 0.459 187 Y N 2.151 122.469 120.300 0.029 0.000 2.607 187 Y HA 0.274 4.802 4.550 -0.037 0.000 0.276 187 Y C 1.296 177.282 175.900 0.143 0.000 1.117 187 Y CA 0.403 58.557 58.100 0.090 0.000 1.273 187 Y CB 0.966 39.528 38.460 0.170 0.000 1.282 187 Y HN 0.736 nan 8.280 nan 0.000 0.514 188 S N -1.446 114.429 115.700 0.293 0.000 2.615 188 S HA 0.330 4.777 4.470 -0.039 0.000 0.269 188 S C -0.148 174.591 174.600 0.232 0.000 1.161 188 S CA -1.047 57.322 58.200 0.281 0.000 0.817 188 S CB 2.244 65.563 63.200 0.199 0.000 1.131 188 S HN 0.030 nan 8.310 nan 0.000 0.467 189 K N 1.049 121.413 120.400 -0.060 0.000 1.991 189 K HA -0.118 4.179 4.320 -0.039 0.000 0.212 189 K C 2.385 178.885 176.600 -0.168 0.000 1.049 189 K CA 2.152 58.170 56.287 -0.449 0.000 0.932 189 K CB -0.561 31.532 32.500 -0.679 0.000 0.717 189 K HN 0.769 nan 8.250 nan 0.000 0.441 190 S N 1.222 116.859 115.700 -0.105 0.000 2.399 190 S HA -0.214 4.232 4.470 -0.039 0.000 0.231 190 S C 2.058 176.629 174.600 -0.048 0.000 1.022 190 S CA 1.002 59.165 58.200 -0.062 0.000 0.983 190 S CB -0.280 62.904 63.200 -0.027 0.000 0.803 190 S HN 0.287 nan 8.310 nan 0.000 0.480 191 Q N 1.248 121.021 119.800 -0.045 0.000 1.942 191 Q HA -0.140 4.177 4.340 -0.039 0.000 0.203 191 Q C 2.195 178.109 176.000 -0.143 0.000 0.987 191 Q CA 1.715 57.414 55.803 -0.173 0.000 0.844 191 Q CB -0.518 28.041 28.738 -0.299 0.000 0.911 191 Q HN 0.535 nan 8.270 nan 0.000 0.423 192 I N 1.277 121.813 120.570 -0.058 0.000 2.208 192 I HA -0.242 3.905 4.170 -0.039 0.000 0.245 192 I C 2.623 178.724 176.117 -0.026 0.000 1.097 192 I CA 1.980 63.260 61.300 -0.033 0.000 1.363 192 I CB -0.833 37.200 38.000 0.055 0.000 1.051 192 I HN 0.332 nan 8.210 nan 0.000 0.413 193 S N -0.397 115.292 115.700 -0.019 0.000 2.365 193 S HA -0.245 4.202 4.470 -0.039 0.000 0.225 193 S C 2.328 176.898 174.600 -0.051 0.000 1.039 193 S CA 2.464 60.639 58.200 -0.041 0.000 1.033 193 S CB -0.833 62.324 63.200 -0.071 0.000 0.887 193 S HN 0.723 nan 8.310 nan 0.000 0.447 194 S N 1.007 116.672 115.700 -0.058 0.000 2.425 194 S HA 0.280 4.726 4.470 -0.039 0.000 0.225 194 S C 2.141 176.704 174.600 -0.061 0.000 1.024 194 S CA 0.882 59.048 58.200 -0.057 0.000 0.951 194 S CB -0.816 62.355 63.200 -0.049 0.000 0.796 194 S HN 0.749 nan 8.310 nan 0.000 0.498 195 A N 2.134 124.910 122.820 -0.074 0.000 1.883 195 A HA 0.125 4.421 4.320 -0.039 0.000 0.217 195 A C 2.192 179.736 177.584 -0.067 0.000 1.186 195 A CA 1.619 53.611 52.037 -0.075 0.000 0.624 195 A CB -0.824 18.119 19.000 -0.095 0.000 0.822 195 A HN 0.596 nan 8.150 nan 0.000 0.444 196 L N -1.171 120.018 121.223 -0.058 0.000 2.607 196 L HA 0.147 4.463 4.340 -0.039 0.000 0.228 196 L C 0.766 177.616 176.870 -0.033 0.000 1.123 196 L CA 0.346 55.158 54.840 -0.047 0.000 0.890 196 L CB -0.548 41.505 42.059 -0.010 0.000 1.103 196 L HN 0.680 nan 8.230 nan 0.000 0.468 197 N N 1.173 119.846 118.700 -0.044 0.000 2.714 197 N HA -0.167 4.550 4.740 -0.039 0.000 0.253 197 N C -0.641 174.851 175.510 -0.030 0.000 1.024 197 N CA 0.215 53.234 53.050 -0.051 0.000 0.726 197 N CB -0.338 38.108 38.487 -0.068 0.000 0.908 197 N HN 0.227 nan 8.380 nan 0.000 0.542 198 V N -1.745 118.157 119.914 -0.021 0.000 2.962 198 V HA 0.523 4.620 4.120 -0.039 0.000 0.313 198 V C 0.156 176.218 176.094 -0.053 0.000 1.099 198 V CA -1.265 61.027 62.300 -0.014 0.000 0.971 198 V CB 1.791 33.621 31.823 0.011 0.000 1.028 198 V HN 0.257 nan 8.190 nan 0.000 0.430 199 N N 1.613 120.275 118.700 -0.064 0.000 2.475 199 N HA 0.185 4.901 4.740 -0.039 0.000 0.267 199 N C 1.329 176.783 175.510 -0.092 0.000 1.169 199 N CA 0.659 53.664 53.050 -0.075 0.000 0.947 199 N CB 1.936 40.383 38.487 -0.066 0.000 1.061 199 N HN 1.066 nan 8.380 nan 0.000 0.466 200 A N 5.726 128.486 122.820 -0.100 0.000 1.903 200 A HA -0.227 4.070 4.320 -0.039 0.000 0.219 200 A C 1.996 179.523 177.584 -0.095 0.000 1.191 200 A CA 1.400 53.364 52.037 -0.121 0.000 0.638 200 A CB -0.246 18.610 19.000 -0.240 0.000 0.823 200 A HN 0.725 nan 8.150 nan 0.000 0.451 201 K N -0.278 120.061 120.400 -0.101 0.000 2.063 201 K HA -0.098 4.199 4.320 -0.039 0.000 0.208 201 K C 1.981 178.543 176.600 -0.064 0.000 1.048 201 K CA 1.316 57.560 56.287 -0.072 0.000 0.928 201 K CB -1.452 31.006 32.500 -0.069 0.000 0.713 201 K HN 0.369 nan 8.250 nan 0.000 0.442 202 V N 2.214 122.071 119.914 -0.094 0.000 2.250 202 V HA -0.285 3.812 4.120 -0.039 0.000 0.250 202 V C 2.469 178.456 176.094 -0.177 0.000 1.060 202 V CA 1.879 64.097 62.300 -0.136 0.000 1.030 202 V CB -0.626 31.089 31.823 -0.179 0.000 0.643 202 V HN 0.184 nan 8.190 nan 0.000 0.445 203 L N -0.426 120.683 121.223 -0.191 0.000 1.994 203 L HA -0.202 4.114 4.340 -0.039 0.000 0.208 203 L C 2.572 179.416 176.870 -0.043 0.000 1.071 203 L CA 2.153 56.885 54.840 -0.181 0.000 0.745 203 L CB -0.864 41.132 42.059 -0.106 0.000 0.892 203 L HN 0.358 nan 8.230 nan 0.000 0.431 204 E N 0.505 120.757 120.200 0.087 0.000 2.130 204 E HA -0.256 4.070 4.350 -0.039 0.000 0.196 204 E C 1.807 178.427 176.600 0.033 0.000 0.998 204 E CA 1.746 58.232 56.400 0.143 0.000 0.806 204 E CB 0.127 29.937 29.700 0.183 0.000 0.738 204 E HN 0.436 nan 8.360 nan 0.000 0.459 205 N N -0.668 118.024 118.700 -0.012 0.000 2.176 205 N HA -0.030 4.687 4.740 -0.039 0.000 0.187 205 N C 1.819 177.307 175.510 -0.036 0.000 1.043 205 N CA 1.545 54.579 53.050 -0.026 0.000 0.851 205 N CB -0.196 38.270 38.487 -0.037 0.000 1.018 205 N HN -0.012 nan 8.380 nan 0.000 0.436 206 S N 0.631 116.296 115.700 -0.059 0.000 2.348 206 S HA 0.003 4.450 4.470 -0.039 0.000 0.221 206 S C 1.918 176.491 174.600 -0.045 0.000 1.033 206 S CA 0.843 59.013 58.200 -0.051 0.000 1.010 206 S CB -0.431 62.730 63.200 -0.066 0.000 0.891 206 S HN 0.197 nan 8.310 nan 0.000 0.442 207 L N 1.027 122.208 121.223 -0.071 0.000 2.492 207 L HA 0.167 4.483 4.340 -0.039 0.000 0.223 207 L C 1.260 178.097 176.870 -0.055 0.000 1.132 207 L CA 0.239 55.045 54.840 -0.057 0.000 0.850 207 L CB -0.911 41.098 42.059 -0.084 0.000 0.966 207 L HN 0.552 nan 8.230 nan 0.000 0.454 208 G N 1.507 110.280 108.800 -0.045 0.000 2.374 208 G HA2 -0.227 3.710 3.960 -0.039 0.000 0.289 208 G HA3 -0.227 3.710 3.960 -0.039 0.000 0.289 208 G C -0.191 174.670 174.900 -0.064 0.000 1.004 208 G CA -0.098 44.982 45.100 -0.033 0.000 1.292 208 G HN 0.081 nan 8.290 nan 0.000 0.502 209 V N 1.796 121.659 119.914 -0.086 0.000 2.461 209 V HA 0.253 4.349 4.120 -0.039 0.000 0.275 209 V C 0.694 176.665 176.094 -0.205 0.000 1.047 209 V CA -0.323 61.821 62.300 -0.260 0.000 0.955 209 V CB 1.785 33.258 31.823 -0.584 0.000 0.988 209 V HN 0.569 nan 8.190 nan 0.000 0.471 210 D N 4.245 124.528 120.400 -0.195 0.000 2.558 210 D HA 0.138 4.754 4.640 -0.039 0.000 0.221 210 D C 0.940 177.183 176.300 -0.094 0.000 1.143 210 D CA -0.192 53.761 54.000 -0.078 0.000 1.010 210 D CB -0.048 40.720 40.800 -0.054 0.000 1.068 210 D HN 0.451 nan 8.370 nan 0.000 0.511 211 F N 1.273 121.215 119.950 -0.015 0.000 2.287 211 F HA -0.180 4.324 4.527 -0.039 0.000 0.301 211 F C 2.081 177.885 175.800 0.005 0.000 1.069 211 F CA 0.672 58.668 58.000 -0.008 0.000 1.372 211 F CB -0.165 38.828 39.000 -0.012 0.000 1.056 211 F HN 0.276 nan 8.300 nan 0.000 0.523 212 N N 0.154 118.946 118.700 0.154 0.000 2.124 212 N HA -0.072 4.645 4.740 -0.039 0.000 0.188 212 N C 2.075 177.621 175.510 0.060 0.000 1.045 212 N CA 1.421 54.530 53.050 0.099 0.000 0.846 212 N CB -0.724 37.807 38.487 0.073 0.000 1.020 212 N HN 0.106 nan 8.380 nan 0.000 0.432 213 A N 0.432 123.271 122.820 0.032 0.000 1.903 213 A HA -0.190 4.106 4.320 -0.039 0.000 0.219 213 A C 2.423 180.016 177.584 0.014 0.000 1.191 213 A CA 1.972 54.018 52.037 0.015 0.000 0.638 213 A CB -1.220 17.777 19.000 -0.004 0.000 0.823 213 A HN 0.170 nan 8.150 nan 0.000 0.451 214 V N -0.335 119.578 119.914 -0.001 0.000 2.252 214 V HA -0.332 3.765 4.120 -0.039 0.000 0.249 214 V C 3.080 179.206 176.094 0.053 0.000 1.056 214 V CA 2.349 64.648 62.300 -0.001 0.000 1.022 214 V CB -1.344 30.444 31.823 -0.058 0.000 0.641 214 V HN 0.692 nan 8.190 nan 0.000 0.445 215 A N 0.514 123.383 122.820 0.082 0.000 1.883 215 A HA -0.232 4.065 4.320 -0.039 0.000 0.217 215 A C 1.822 179.448 177.584 0.070 0.000 1.186 215 A CA 2.122 54.217 52.037 0.096 0.000 0.624 215 A CB -0.719 18.344 19.000 0.105 0.000 0.822 215 A HN 0.632 nan 8.150 nan 0.000 0.444 216 N N 0.506 119.238 118.700 0.053 0.000 2.575 216 N HA -0.074 4.643 4.740 -0.039 0.000 0.192 216 N C 0.288 175.814 175.510 0.027 0.000 1.200 216 N CA 0.633 53.707 53.050 0.039 0.000 0.897 216 N CB -0.552 37.955 38.487 0.033 0.000 0.990 216 N HN 0.531 nan 8.380 nan 0.000 0.449 217 N N 1.086 119.805 118.700 0.032 0.000 2.738 217 N HA -0.196 4.521 4.740 -0.039 0.000 0.249 217 N C -0.443 175.069 175.510 0.003 0.000 1.047 217 N CA 0.604 53.665 53.050 0.019 0.000 0.707 217 N CB -0.839 37.654 38.487 0.010 0.000 0.937 217 N HN 0.527 nan 8.380 nan 0.000 0.545 218 E N -0.594 119.609 120.200 0.005 0.000 2.489 218 E HA 0.197 4.524 4.350 -0.039 0.000 0.204 218 E C 0.014 176.612 176.600 -0.003 0.000 1.006 218 E CA 0.174 56.574 56.400 -0.001 0.000 0.936 218 E CB 0.675 30.378 29.700 0.004 0.000 1.002 218 E HN 0.281 nan 8.360 nan 0.000 0.488 219 K N 0.818 121.216 120.400 -0.003 0.000 2.502 219 K HA 0.332 4.629 4.320 -0.039 0.000 0.257 219 K C -1.193 175.407 176.600 -0.000 0.000 0.938 219 K CA -0.791 55.494 56.287 -0.004 0.000 0.819 219 K CB 1.831 34.320 32.500 -0.018 0.000 1.333 219 K HN -0.233 nan 8.250 nan 0.000 0.434 220 K N 2.362 122.775 120.400 0.022 0.000 2.394 220 K HA 0.436 4.732 4.320 -0.039 0.000 0.260 220 K C -1.056 175.610 176.600 0.110 0.000 0.967 220 K CA -0.678 55.629 56.287 0.033 0.000 0.855 220 K CB 1.864 34.364 32.500 -0.000 0.000 1.101 220 K HN 0.292 nan 8.250 nan 0.000 0.433 221 V N 3.524 123.464 119.914 0.043 0.000 2.656 221 V HA 0.515 4.611 4.120 -0.039 0.000 0.307 221 V C -0.347 175.756 176.094 0.015 0.000 1.051 221 V CA -0.915 61.408 62.300 0.039 0.000 0.893 221 V CB 2.142 33.904 31.823 -0.103 0.000 0.999 221 V HN 0.748 nan 8.190 nan 0.000 0.426 222 M N 5.347 124.978 119.600 0.052 0.000 2.326 222 M HA 0.664 5.121 4.480 -0.039 0.000 0.306 222 M C -1.840 174.426 176.300 -0.056 0.000 1.054 222 M CA -0.455 54.852 55.300 0.010 0.000 0.922 222 M CB 1.742 34.431 32.600 0.149 0.000 1.632 222 M HN 0.578 nan 8.290 nan 0.000 0.436 223 I N 5.704 126.236 120.570 -0.062 0.000 2.474 223 I HA 0.476 4.622 4.170 -0.039 0.000 0.294 223 I C -1.042 175.040 176.117 -0.059 0.000 1.005 223 I CA -0.919 60.357 61.300 -0.041 0.000 1.113 223 I CB 1.951 39.929 38.000 -0.038 0.000 1.289 223 I HN 0.664 nan 8.210 nan 0.000 0.436 224 L N 4.780 125.982 121.223 -0.035 0.000 2.342 224 L HA 0.862 5.178 4.340 -0.039 0.000 0.271 224 L C -0.289 176.483 176.870 -0.163 0.000 1.008 224 L CA -0.813 53.912 54.840 -0.192 0.000 0.818 224 L CB 1.977 44.005 42.059 -0.052 0.000 1.296 224 L HN 0.650 nan 8.230 nan 0.000 0.427 225 A N 1.755 124.309 122.820 -0.443 0.000 2.357 225 A HA 0.667 4.964 4.320 -0.039 0.000 0.295 225 A C -1.639 175.635 177.584 -0.517 0.000 1.121 225 A CA -0.319 51.482 52.037 -0.394 0.000 0.742 225 A CB 0.606 19.440 19.000 -0.277 0.000 1.181 225 A HN 0.573 nan 8.150 nan 0.000 0.454 226 Y N 2.065 122.181 120.300 -0.306 0.000 2.700 226 Y HA 0.302 4.844 4.550 -0.012 0.000 0.333 226 Y C 0.735 176.515 175.900 -0.200 0.000 1.036 226 Y CA -0.145 57.857 58.100 -0.164 0.000 1.287 226 Y CB 1.079 39.493 38.460 -0.077 0.000 1.132 226 Y HN 0.659 nan 8.280 nan 0.000 0.510 227 K N 3.572 123.910 120.400 -0.102 0.000 2.349 227 K HA 0.176 4.473 4.320 -0.039 0.000 0.288 227 K C -0.571 176.001 176.600 -0.046 0.000 1.058 227 K CA -0.134 56.082 56.287 -0.117 0.000 0.953 227 K CB 0.445 32.867 32.500 -0.129 0.000 0.997 227 K HN 0.639 nan 8.250 nan 0.000 0.477 228 Q N 5.266 125.026 119.800 -0.067 0.000 2.413 228 Q HA 0.283 4.599 4.340 -0.039 0.000 0.258 228 Q C -0.701 175.207 176.000 -0.153 0.000 1.037 228 Q CA -0.475 55.327 55.803 -0.002 0.000 0.764 228 Q CB 1.249 30.058 28.738 0.118 0.000 1.217 228 Q HN 0.562 nan 8.270 nan 0.000 0.490 229 I N 2.238 122.747 120.570 -0.101 0.000 2.395 229 I HA 0.096 4.243 4.170 -0.039 0.000 0.289 229 I C 0.395 176.480 176.117 -0.053 0.000 1.023 229 I CA -0.217 60.958 61.300 -0.208 0.000 1.350 229 I CB 0.447 38.380 38.000 -0.113 0.000 1.409 229 I HN 0.524 nan 8.210 nan 0.000 0.507 230 F N 5.198 124.834 119.950 -0.524 0.000 2.274 230 F HA 0.140 4.640 4.527 -0.044 0.000 0.288 230 F C 0.519 176.036 175.800 -0.472 0.000 1.069 230 F CA -0.262 57.097 58.000 -1.069 0.000 1.343 230 F CB -0.548 37.255 39.000 -1.996 0.000 1.089 230 F HN 0.475 nan 8.300 nan 0.000 0.517 231 Y N -2.713 117.540 120.300 -0.078 0.000 2.750 231 Y HA 0.555 5.082 4.550 -0.038 0.000 0.335 231 Y C -0.613 175.343 175.900 0.094 0.000 1.252 231 Y CA -1.665 56.443 58.100 0.013 0.000 1.064 231 Y CB 1.129 39.582 38.460 -0.011 0.000 1.321 231 Y HN -0.101 nan 8.280 nan 0.000 0.451 232 T N -0.966 113.864 114.554 0.460 0.000 2.864 232 T HA 0.822 5.148 4.350 -0.039 0.000 0.299 232 T C -1.808 173.124 174.700 0.387 0.000 1.166 232 T CA -0.808 61.523 62.100 0.385 0.000 1.007 232 T CB 1.632 70.596 68.868 0.160 0.000 1.219 232 T HN 0.985 nan 8.240 nan 0.000 0.506 233 V N 1.933 122.069 119.914 0.371 0.000 2.686 233 V HA 0.786 4.882 4.120 -0.039 0.000 0.306 233 V C -0.045 176.155 176.094 0.177 0.000 1.065 233 V CA -0.814 61.643 62.300 0.262 0.000 0.894 233 V CB 1.700 33.706 31.823 0.306 0.000 1.004 233 V HN 1.313 nan 8.190 nan 0.000 0.424 234 S N 2.575 118.345 115.700 0.117 0.000 2.600 234 S HA 0.945 5.391 4.470 -0.039 0.000 0.300 234 S C -0.416 174.226 174.600 0.070 0.000 1.087 234 S CA -0.427 57.823 58.200 0.084 0.000 0.965 234 S CB 2.243 65.483 63.200 0.066 0.000 1.089 234 S HN 1.531 nan 8.310 nan 0.000 0.496 235 A N 1.707 124.560 122.820 0.055 0.000 2.310 235 A HA 0.583 4.880 4.320 -0.039 0.000 0.304 235 A C -0.745 176.860 177.584 0.034 0.000 1.231 235 A CA -0.795 51.268 52.037 0.044 0.000 0.799 235 A CB 0.026 19.050 19.000 0.039 0.000 1.162 235 A HN 0.804 nan 8.150 nan 0.000 0.486 236 D N 1.960 122.380 120.400 0.033 0.000 2.648 236 D HA 0.021 4.637 4.640 -0.039 0.000 0.229 236 D C 0.340 176.658 176.300 0.029 0.000 1.119 236 D CA 1.008 55.027 54.000 0.031 0.000 0.850 236 D CB 0.471 41.289 40.800 0.029 0.000 1.169 236 D HN 0.455 nan 8.370 nan 0.000 0.489 237 L N 4.380 125.623 121.223 0.033 0.000 2.380 237 L HA 0.229 4.546 4.340 -0.039 0.000 0.273 237 L C -1.565 175.330 176.870 0.040 0.000 1.138 237 L CA -1.498 53.364 54.840 0.037 0.000 0.832 237 L CB 0.242 42.327 42.059 0.043 0.000 1.124 237 L HN 0.220 nan 8.230 nan 0.000 0.454 238 P HA 0.158 nan 4.420 nan 0.000 0.281 238 P C -0.094 177.243 177.300 0.061 0.000 1.249 238 P CA -0.700 62.431 63.100 0.052 0.000 0.810 238 P CB 1.548 33.282 31.700 0.056 0.000 1.008 239 K N 2.356 122.789 120.400 0.057 0.000 2.057 239 K HA -0.047 4.250 4.320 -0.039 0.000 0.207 239 K C 0.375 177.016 176.600 0.067 0.000 1.049 239 K CA 1.517 57.837 56.287 0.055 0.000 0.931 239 K CB 0.025 32.553 32.500 0.047 0.000 0.714 239 K HN 0.430 nan 8.250 nan 0.000 0.440 240 N N -1.094 117.654 118.700 0.080 0.000 2.242 240 N HA 0.181 4.898 4.740 -0.039 0.000 0.292 240 N C -2.509 173.089 175.510 0.146 0.000 1.125 240 N CA -1.697 51.412 53.050 0.098 0.000 0.783 240 N CB 2.001 40.536 38.487 0.079 0.000 1.558 240 N HN -0.250 nan 8.380 nan 0.000 0.472 241 P HA -0.262 nan 4.420 nan 0.000 0.219 241 P C 1.421 178.994 177.300 0.454 0.000 1.158 241 P CA 2.229 65.532 63.100 0.337 0.000 0.895 241 P CB 0.121 31.998 31.700 0.296 0.000 0.792 242 S N -0.581 115.293 115.700 0.291 0.000 2.389 242 S HA -0.265 4.181 4.470 -0.039 0.000 0.231 242 S C 1.573 176.340 174.600 0.278 0.000 1.052 242 S CA 1.938 60.306 58.200 0.280 0.000 1.053 242 S CB -1.656 61.626 63.200 0.136 0.000 0.886 242 S HN 0.172 nan 8.310 nan 0.000 0.456 243 D N 1.608 122.118 120.400 0.183 0.000 2.311 243 D HA -0.010 4.606 4.640 -0.039 0.000 0.212 243 D C 1.795 178.142 176.300 0.080 0.000 0.972 243 D CA 0.807 54.876 54.000 0.114 0.000 0.887 243 D CB -0.291 40.558 40.800 0.082 0.000 0.915 243 D HN 0.447 nan 8.370 nan 0.000 0.497 244 L N -0.780 120.488 121.223 0.075 0.000 2.145 244 L HA 0.035 4.351 4.340 -0.039 0.000 0.201 244 L C 0.573 177.303 176.870 -0.233 0.000 1.075 244 L CA 0.366 55.103 54.840 -0.172 0.000 0.773 244 L CB -0.132 41.652 42.059 -0.457 0.000 0.936 244 L HN -0.119 nan 8.230 nan 0.000 0.451 245 F N -0.104 119.877 119.950 0.050 0.000 2.370 245 F HA 0.254 4.758 4.527 -0.038 0.000 0.324 245 F C 0.594 176.418 175.800 0.041 0.000 1.116 245 F CA -1.343 56.685 58.000 0.047 0.000 1.123 245 F CB 0.098 39.128 39.000 0.051 0.000 1.238 245 F HN -0.158 nan 8.300 nan 0.000 0.536 246 D N 0.135 120.673 120.400 0.232 0.000 2.384 246 D HA 0.049 4.665 4.640 -0.039 0.000 0.244 246 D C 0.726 177.107 176.300 0.136 0.000 1.251 246 D CA -0.034 54.050 54.000 0.140 0.000 0.961 246 D CB 0.669 41.530 40.800 0.102 0.000 1.116 246 D HN 0.446 nan 8.370 nan 0.000 0.484 247 D N -0.673 119.781 120.400 0.089 0.000 2.194 247 D HA -0.122 4.495 4.640 -0.039 0.000 0.204 247 D C 1.855 178.189 176.300 0.056 0.000 0.964 247 D CA 0.874 54.915 54.000 0.069 0.000 0.846 247 D CB -0.364 40.467 40.800 0.051 0.000 0.962 247 D HN 0.416 nan 8.370 nan 0.000 0.490 248 S N 0.285 116.019 115.700 0.057 0.000 2.493 248 S HA -0.067 4.380 4.470 -0.039 0.000 0.243 248 S C 1.053 175.680 174.600 0.045 0.000 0.991 248 S CA 0.130 58.357 58.200 0.045 0.000 0.957 248 S CB -0.420 62.806 63.200 0.044 0.000 0.756 248 S HN -0.047 nan 8.310 nan 0.000 0.521 249 V N 2.586 122.536 119.914 0.059 0.000 2.509 249 V HA 0.590 4.687 4.120 -0.039 0.000 0.284 249 V C 0.578 176.668 176.094 -0.007 0.000 1.047 249 V CA -0.150 62.174 62.300 0.040 0.000 0.952 249 V CB 1.055 32.935 31.823 0.095 0.000 0.988 249 V HN 0.602 nan 8.190 nan 0.000 0.469 250 T N 0.856 115.395 114.554 -0.025 0.000 2.916 250 T HA 0.466 4.792 4.350 -0.039 0.000 0.292 250 T C 0.510 175.193 174.700 -0.029 0.000 1.055 250 T CA -0.501 61.592 62.100 -0.011 0.000 1.009 250 T CB 1.384 70.263 68.868 0.018 0.000 1.118 250 T HN 0.341 nan 8.240 nan 0.000 0.497 251 F N 2.307 122.186 119.950 -0.118 0.000 2.154 251 F HA -0.115 4.389 4.527 -0.039 0.000 0.301 251 F C 2.015 177.775 175.800 -0.068 0.000 1.087 251 F CA 1.830 59.759 58.000 -0.117 0.000 1.274 251 F CB -0.452 38.494 39.000 -0.090 0.000 1.009 251 F HN 0.622 nan 8.300 nan 0.000 0.485 252 N N 0.563 119.234 118.700 -0.049 0.000 2.289 252 N HA -0.185 4.532 4.740 -0.039 0.000 0.184 252 N C 1.339 176.746 175.510 -0.172 0.000 1.016 252 N CA 1.504 54.490 53.050 -0.107 0.000 0.872 252 N CB -0.493 37.996 38.487 0.004 0.000 0.973 252 N HN 0.451 nan 8.380 nan 0.000 0.433 253 D N 1.393 121.706 120.400 -0.146 0.000 2.084 253 D HA -0.054 4.563 4.640 -0.039 0.000 0.196 253 D C 2.304 178.504 176.300 -0.167 0.000 0.985 253 D CA 0.531 54.465 54.000 -0.110 0.000 0.826 253 D CB -0.312 40.452 40.800 -0.060 0.000 0.978 253 D HN 0.217 nan 8.370 nan 0.000 0.456 254 L N 0.782 121.848 121.223 -0.262 0.000 1.989 254 L HA -0.173 4.144 4.340 -0.039 0.000 0.211 254 L C 2.553 179.199 176.870 -0.373 0.000 1.071 254 L CA 1.229 55.897 54.840 -0.287 0.000 0.749 254 L CB -0.572 41.259 42.059 -0.380 0.000 0.890 254 L HN -0.000 nan 8.230 nan 0.000 0.431 255 K N -0.418 119.576 120.400 -0.676 0.000 2.360 255 K HA -0.213 4.084 4.320 -0.039 0.000 0.201 255 K C 2.231 178.693 176.600 -0.231 0.000 1.046 255 K CA 0.995 56.967 56.287 -0.525 0.000 0.945 255 K CB 0.118 32.244 32.500 -0.623 0.000 0.750 255 K HN 0.254 nan 8.250 nan 0.000 0.464 256 Q N 0.669 120.354 119.800 -0.192 0.000 2.134 256 Q HA -0.047 4.270 4.340 -0.039 0.000 0.195 256 Q C 1.608 177.567 176.000 -0.069 0.000 0.958 256 Q CA 1.047 56.791 55.803 -0.099 0.000 0.840 256 Q CB 0.229 28.922 28.738 -0.076 0.000 0.918 256 Q HN 0.143 nan 8.270 nan 0.000 0.467 257 K N -0.758 119.600 120.400 -0.069 0.000 2.211 257 K HA -0.104 4.192 4.320 -0.039 0.000 0.204 257 K C 1.335 177.919 176.600 -0.028 0.000 1.047 257 K CA 1.313 57.579 56.287 -0.034 0.000 0.935 257 K CB 0.099 32.590 32.500 -0.015 0.000 0.728 257 K HN 0.445 nan 8.250 nan 0.000 0.452 258 G N -0.342 108.431 108.800 -0.046 0.000 3.254 258 G HA2 -0.149 3.788 3.960 -0.039 0.000 0.219 258 G HA3 -0.149 3.788 3.960 -0.039 0.000 0.219 258 G C -0.074 174.813 174.900 -0.022 0.000 0.964 258 G CA -0.257 44.828 45.100 -0.025 0.000 0.823 258 G HN 0.025 nan 8.290 nan 0.000 0.579 259 V N 2.588 122.471 119.914 -0.052 0.000 2.584 259 V HA 0.451 4.547 4.120 -0.039 0.000 0.303 259 V C 0.922 177.013 176.094 -0.004 0.000 1.035 259 V CA 1.440 63.723 62.300 -0.028 0.000 1.172 259 V CB 0.581 32.340 31.823 -0.107 0.000 0.896 259 V HN 1.303 nan 8.190 nan 0.000 0.486 260 S N 3.460 119.210 115.700 0.083 0.000 2.755 260 S HA 0.328 4.775 4.470 -0.039 0.000 0.286 260 S C 0.333 175.027 174.600 0.156 0.000 1.207 260 S CA -0.570 57.700 58.200 0.117 0.000 0.892 260 S CB 1.257 64.499 63.200 0.070 0.000 1.240 260 S HN 0.451 nan 8.310 nan 0.000 0.525 261 N N 0.422 119.204 118.700 0.137 0.000 2.446 261 N HA 0.103 4.820 4.740 -0.039 0.000 0.179 261 N C 0.559 176.143 175.510 0.123 0.000 1.054 261 N CA 0.803 53.944 53.050 0.153 0.000 0.905 261 N CB -0.070 38.482 38.487 0.108 0.000 0.973 261 N HN 0.558 nan 8.380 nan 0.000 0.448 262 E N 0.193 120.444 120.200 0.086 0.000 2.415 262 E HA 0.230 4.557 4.350 -0.039 0.000 0.197 262 E C 0.121 176.751 176.600 0.050 0.000 1.007 262 E CA 0.059 56.494 56.400 0.059 0.000 0.890 262 E CB 0.567 30.294 29.700 0.044 0.000 0.891 262 E HN 0.192 nan 8.360 nan 0.000 0.496 263 A N 1.268 124.126 122.820 0.063 0.000 3.355 263 A HA 0.388 4.685 4.320 -0.039 0.000 0.290 263 A C -2.701 174.932 177.584 0.082 0.000 0.973 263 A CA -1.361 50.709 52.037 0.056 0.000 0.933 263 A CB 0.079 19.104 19.000 0.042 0.000 1.138 263 A HN -0.105 nan 8.150 nan 0.000 0.490 264 P HA 0.177 nan 4.420 nan 0.000 0.267 264 P C -2.683 174.716 177.300 0.165 0.000 1.200 264 P CA -0.546 62.633 63.100 0.133 0.000 0.772 264 P CB 0.221 31.846 31.700 -0.124 0.000 0.855 265 P HA 0.335 nan 4.420 nan 0.000 0.286 265 P C -1.234 176.197 177.300 0.219 0.000 1.261 265 P CA -0.121 63.099 63.100 0.200 0.000 0.821 265 P CB 0.799 32.640 31.700 0.235 0.000 1.013 266 L N -0.068 121.229 121.223 0.122 0.000 2.502 266 L HA 0.742 5.059 4.340 -0.039 0.000 0.253 266 L C -0.411 176.463 176.870 0.007 0.000 1.070 266 L CA -1.150 53.723 54.840 0.055 0.000 0.871 266 L CB 1.260 43.258 42.059 -0.100 0.000 1.487 266 L HN 0.322 nan 8.230 nan 0.000 0.408 267 M N 0.822 120.409 119.600 -0.023 0.000 2.393 267 M HA 0.650 5.107 4.480 -0.039 0.000 0.299 267 M C -1.444 174.819 176.300 -0.061 0.000 1.103 267 M CA -0.881 54.385 55.300 -0.056 0.000 0.910 267 M CB 2.191 34.764 32.600 -0.045 0.000 1.659 267 M HN 0.447 nan 8.290 nan 0.000 0.445 268 V N 4.688 124.538 119.914 -0.107 0.000 2.425 268 V HA 0.035 4.132 4.120 -0.039 0.000 0.276 268 V C 1.100 177.175 176.094 -0.032 0.000 1.017 268 V CA 0.616 62.877 62.300 -0.065 0.000 1.062 268 V CB 0.080 31.759 31.823 -0.240 0.000 0.997 268 V HN 1.070 nan 8.190 nan 0.000 0.476 269 S N 3.468 119.174 115.700 0.011 0.000 2.406 269 S HA 0.105 4.551 4.470 -0.039 0.000 0.224 269 S C 0.690 175.312 174.600 0.035 0.000 1.030 269 S CA 0.039 58.248 58.200 0.016 0.000 0.958 269 S CB 0.108 63.313 63.200 0.010 0.000 0.811 269 S HN 0.737 nan 8.310 nan 0.000 0.489 270 N N 0.154 118.882 118.700 0.046 0.000 2.284 270 N HA 0.598 5.314 4.740 -0.039 0.000 0.289 270 N C -1.995 173.546 175.510 0.053 0.000 1.179 270 N CA -0.420 52.662 53.050 0.053 0.000 0.774 270 N CB 2.689 41.194 38.487 0.030 0.000 1.548 270 N HN 0.015 nan 8.380 nan 0.000 0.473 271 V N 0.660 120.590 119.914 0.027 0.000 2.612 271 V HA 0.564 4.660 4.120 -0.039 0.000 0.301 271 V C -0.482 175.431 176.094 -0.301 0.000 1.059 271 V CA -0.888 61.329 62.300 -0.137 0.000 0.886 271 V CB 1.572 33.277 31.823 -0.196 0.000 1.007 271 V HN 0.841 nan 8.190 nan 0.000 0.426 272 A N 4.457 127.056 122.820 -0.368 0.000 2.309 272 A HA 0.855 5.151 4.320 -0.039 0.000 0.298 272 A C -1.304 175.886 177.584 -0.658 0.000 1.165 272 A CA -0.220 51.606 52.037 -0.351 0.000 0.821 272 A CB 0.431 19.292 19.000 -0.232 0.000 1.102 272 A HN 0.740 nan 8.150 nan 0.000 0.500 273 Y N 1.001 121.052 120.300 -0.415 0.000 2.364 273 Y HA 0.644 5.169 4.550 -0.042 0.000 0.340 273 Y C 0.974 176.284 175.900 -0.983 0.000 0.975 273 Y CA 0.617 58.359 58.100 -0.596 0.000 1.089 273 Y CB 2.432 40.445 38.460 -0.746 0.000 1.192 273 Y HN 1.124 nan 8.280 nan 0.000 0.454 274 G N 2.186 110.433 108.800 -0.922 0.000 2.601 274 G HA2 0.461 4.398 3.960 -0.039 0.000 0.080 274 G HA3 0.461 4.398 3.960 -0.039 0.000 0.080 274 G C -1.418 172.960 174.900 -0.870 0.000 1.046 274 G CA -0.699 43.282 45.100 -1.864 0.000 1.143 274 G HN 0.724 nan 8.290 nan 0.000 0.507 275 R N -1.584 118.579 120.500 -0.562 0.000 2.728 275 R HA 0.726 5.043 4.340 -0.039 0.000 0.274 275 R C -1.755 174.453 176.300 -0.154 0.000 1.030 275 R CA -0.728 55.251 56.100 -0.202 0.000 0.876 275 R CB 1.194 31.480 30.300 -0.022 0.000 1.259 275 R HN 0.564 nan 8.270 nan 0.000 0.468 276 T N 1.293 115.775 114.554 -0.120 0.000 2.893 276 T HA 0.547 4.873 4.350 -0.039 0.000 0.293 276 T C -0.500 174.070 174.700 -0.217 0.000 1.027 276 T CA -0.676 61.290 62.100 -0.223 0.000 0.988 276 T CB 1.205 69.857 68.868 -0.361 0.000 1.043 276 T HN 0.390 nan 8.240 nan 0.000 0.461 277 I N 3.025 123.458 120.570 -0.229 0.000 2.355 277 I HA 0.392 4.538 4.170 -0.039 0.000 0.288 277 I C -1.065 174.948 176.117 -0.173 0.000 0.999 277 I CA -0.858 60.368 61.300 -0.122 0.000 1.163 277 I CB 1.005 38.954 38.000 -0.085 0.000 1.316 277 I HN 0.589 nan 8.210 nan 0.000 0.454 278 Y N 5.176 125.505 120.300 0.050 0.000 2.341 278 Y HA 0.557 5.088 4.550 -0.031 0.000 0.337 278 Y C -0.022 175.897 175.900 0.032 0.000 1.014 278 Y CA -0.792 57.332 58.100 0.039 0.000 1.111 278 Y CB 1.893 40.351 38.460 -0.003 0.000 1.194 278 Y HN 0.186 nan 8.280 nan 0.000 0.462 279 V N 4.245 124.277 119.914 0.197 0.000 2.540 279 V HA 0.405 4.501 4.120 -0.039 0.000 0.302 279 V C -0.633 175.510 176.094 0.082 0.000 1.035 279 V CA -1.274 61.096 62.300 0.116 0.000 0.873 279 V CB 1.847 33.757 31.823 0.145 0.000 0.992 279 V HN 0.642 nan 8.190 nan 0.000 0.428 280 K N 4.252 124.680 120.400 0.047 0.000 2.292 280 K HA 0.755 5.051 4.320 -0.039 0.000 0.257 280 K C -1.828 174.777 176.600 0.008 0.000 0.940 280 K CA -0.699 55.590 56.287 0.003 0.000 0.811 280 K CB 1.531 34.018 32.500 -0.022 0.000 1.120 280 K HN 0.520 nan 8.250 nan 0.000 0.428 281 L N 4.681 125.840 121.223 -0.106 0.000 2.342 281 L HA 0.351 4.667 4.340 -0.039 0.000 0.276 281 L C -0.671 176.076 176.870 -0.204 0.000 0.997 281 L CA -0.255 54.414 54.840 -0.285 0.000 0.838 281 L CB 1.532 43.011 42.059 -0.966 0.000 1.224 281 L HN 0.702 nan 8.230 nan 0.000 0.416 282 E N 1.235 121.430 120.200 -0.009 0.000 2.277 282 E HA 0.878 5.205 4.350 -0.039 0.000 0.266 282 E C -0.819 175.906 176.600 0.209 0.000 0.901 282 E CA -0.853 55.615 56.400 0.114 0.000 0.782 282 E CB 2.717 32.419 29.700 0.003 0.000 1.228 282 E HN 0.267 nan 8.360 nan 0.000 0.424 283 T N -0.445 114.234 114.554 0.209 0.000 2.802 283 T HA 0.284 4.611 4.350 -0.039 0.000 0.311 283 T C -0.038 174.699 174.700 0.061 0.000 1.405 283 T CA 0.065 62.253 62.100 0.147 0.000 1.016 283 T CB 1.522 70.519 68.868 0.216 0.000 1.352 283 T HN 0.641 nan 8.240 nan 0.000 0.498 284 T N -0.542 114.030 114.554 0.030 0.000 3.022 284 T HA 0.299 4.625 4.350 -0.039 0.000 0.250 284 T C 1.198 175.895 174.700 -0.005 0.000 1.060 284 T CA 0.310 62.415 62.100 0.008 0.000 1.013 284 T CB 0.017 68.887 68.868 0.004 0.000 0.982 284 T HN 0.588 nan 8.240 nan 0.000 0.508 285 S N 1.833 117.528 115.700 -0.007 0.000 2.558 285 S HA 0.127 4.574 4.470 -0.039 0.000 0.288 285 S C 1.000 175.567 174.600 -0.054 0.000 1.318 285 S CA -0.221 57.960 58.200 -0.032 0.000 1.056 285 S CB 0.257 63.432 63.200 -0.042 0.000 0.853 285 S HN 0.466 nan 8.310 nan 0.000 0.505 286 S N 2.718 118.379 115.700 -0.066 0.000 2.578 286 S HA 0.181 4.628 4.470 -0.039 0.000 0.231 286 S C 0.540 175.076 174.600 -0.107 0.000 0.994 286 S CA -0.433 57.718 58.200 -0.082 0.000 0.956 286 S CB 0.146 63.295 63.200 -0.085 0.000 0.870 286 S HN 0.685 nan 8.310 nan 0.000 0.494 287 S N 2.631 118.266 115.700 -0.108 0.000 2.566 287 S HA 0.033 4.480 4.470 -0.039 0.000 0.280 287 S C 1.258 175.793 174.600 -0.108 0.000 1.343 287 S CA -0.270 57.862 58.200 -0.112 0.000 1.036 287 S CB 0.416 63.563 63.200 -0.088 0.000 0.866 287 S HN 0.581 nan 8.310 nan 0.000 0.526 288 K N 1.773 122.117 120.400 -0.093 0.000 2.505 288 K HA 0.107 4.404 4.320 -0.039 0.000 0.192 288 K C -0.254 176.313 176.600 -0.055 0.000 1.025 288 K CA 0.407 56.653 56.287 -0.069 0.000 1.086 288 K CB 0.054 32.522 32.500 -0.053 0.000 0.840 288 K HN 0.403 nan 8.250 nan 0.000 0.514 289 D N 0.994 121.363 120.400 -0.052 0.000 2.367 289 D HA 0.001 4.617 4.640 -0.039 0.000 0.207 289 D C 1.767 177.966 176.300 -0.168 0.000 1.034 289 D CA 0.063 54.062 54.000 -0.001 0.000 0.861 289 D CB 0.267 41.174 40.800 0.179 0.000 0.943 289 D HN -0.053 nan 8.370 nan 0.000 0.515 290 V N 1.232 120.984 119.914 -0.270 0.000 2.223 290 V HA -0.387 3.709 4.120 -0.039 0.000 0.253 290 V C 2.598 178.299 176.094 -0.655 0.000 1.061 290 V CA 2.267 64.226 62.300 -0.568 0.000 1.035 290 V CB -0.692 30.788 31.823 -0.571 0.000 0.653 290 V HN 0.257 nan 8.190 nan 0.000 0.454 291 Q N -0.581 118.994 119.800 -0.375 0.000 2.047 291 Q HA -0.332 3.984 4.340 -0.039 0.000 0.211 291 Q C 2.269 178.189 176.000 -0.134 0.000 1.005 291 Q CA 2.701 58.404 55.803 -0.166 0.000 0.866 291 Q CB -0.449 28.260 28.738 -0.048 0.000 0.938 291 Q HN 0.677 nan 8.270 nan 0.000 0.414 292 A N 0.508 123.236 122.820 -0.154 0.000 1.892 292 A HA -0.242 4.055 4.320 -0.039 0.000 0.218 292 A C 2.290 179.650 177.584 -0.373 0.000 1.188 292 A CA 2.252 54.201 52.037 -0.147 0.000 0.631 292 A CB -1.270 17.716 19.000 -0.024 0.000 0.822 292 A HN 0.625 nan 8.150 nan 0.000 0.447 293 A N -1.123 121.232 122.820 -0.775 0.000 1.883 293 A HA -0.089 4.208 4.320 -0.039 0.000 0.217 293 A C 2.141 179.673 177.584 -0.087 0.000 1.186 293 A CA 1.484 52.903 52.037 -1.031 0.000 0.624 293 A CB -0.860 17.519 19.000 -1.036 0.000 0.822 293 A HN 0.585 nan 8.150 nan 0.000 0.444 294 F N 0.192 120.061 119.950 -0.135 0.000 2.095 294 F HA -0.232 4.274 4.527 -0.035 0.000 0.298 294 F C 2.529 178.219 175.800 -0.184 0.000 1.104 294 F CA 1.400 59.340 58.000 -0.100 0.000 1.232 294 F CB -0.153 38.824 39.000 -0.038 0.000 0.987 294 F HN 0.217 nan 8.300 nan 0.000 0.475 295 K N 0.506 120.947 120.400 0.069 0.000 2.057 295 K HA -0.161 4.135 4.320 -0.039 0.000 0.207 295 K C 2.244 178.805 176.600 -0.065 0.000 1.049 295 K CA 1.168 57.451 56.287 -0.006 0.000 0.931 295 K CB -0.507 31.998 32.500 0.010 0.000 0.714 295 K HN 0.192 nan 8.250 nan 0.000 0.440 296 A N 1.728 124.512 122.820 -0.061 0.000 1.908 296 A HA -0.183 4.114 4.320 -0.039 0.000 0.218 296 A C 2.158 179.687 177.584 -0.091 0.000 1.181 296 A CA 1.302 53.325 52.037 -0.023 0.000 0.627 296 A CB -0.552 18.482 19.000 0.056 0.000 0.818 296 A HN 0.215 nan 8.150 nan 0.000 0.445 297 L N -0.172 120.934 121.223 -0.195 0.000 2.027 297 L HA -0.094 4.222 4.340 -0.039 0.000 0.206 297 L C 2.281 178.749 176.870 -0.669 0.000 1.074 297 L CA 1.742 56.268 54.840 -0.523 0.000 0.745 297 L CB -0.493 41.040 42.059 -0.877 0.000 0.898 297 L HN 0.449 nan 8.230 nan 0.000 0.433 298 I N -0.410 119.806 120.570 -0.590 0.000 2.076 298 I HA -0.347 3.800 4.170 -0.039 0.000 0.237 298 I C 2.262 178.271 176.117 -0.181 0.000 1.059 298 I CA 1.704 62.761 61.300 -0.406 0.000 1.317 298 I CB -0.422 37.484 38.000 -0.156 0.000 1.037 298 I HN 0.135 nan 8.210 nan 0.000 0.398 299 K N 0.453 120.772 120.400 -0.136 0.000 2.442 299 K HA -0.106 4.191 4.320 -0.039 0.000 0.198 299 K C 0.368 176.923 176.600 -0.074 0.000 1.042 299 K CA 0.426 56.658 56.287 -0.092 0.000 0.958 299 K CB -0.226 32.230 32.500 -0.075 0.000 0.766 299 K HN 0.239 nan 8.250 nan 0.000 0.474 300 N N 1.712 120.351 118.700 -0.101 0.000 2.708 300 N HA -0.137 4.580 4.740 -0.039 0.000 0.255 300 N C -0.620 174.873 175.510 -0.029 0.000 1.046 300 N CA 1.071 54.078 53.050 -0.071 0.000 0.715 300 N CB -1.049 37.410 38.487 -0.047 0.000 0.895 300 N HN 0.417 nan 8.380 nan 0.000 0.545 301 T N -2.896 111.650 114.554 -0.012 0.000 2.729 301 T HA 0.229 4.556 4.350 -0.039 0.000 0.298 301 T C 0.947 175.666 174.700 0.032 0.000 1.013 301 T CA 0.209 62.318 62.100 0.014 0.000 0.957 301 T CB 0.968 69.855 68.868 0.033 0.000 1.130 301 T HN 0.120 nan 8.240 nan 0.000 0.526 302 D N -1.377 119.045 120.400 0.036 0.000 2.369 302 D HA 0.095 4.712 4.640 -0.039 0.000 0.211 302 D C 0.921 177.252 176.300 0.053 0.000 1.077 302 D CA -0.086 53.937 54.000 0.038 0.000 0.842 302 D CB -0.160 40.654 40.800 0.024 0.000 0.947 302 D HN 0.424 nan 8.370 nan 0.000 0.509 303 I N 0.832 121.447 120.570 0.074 0.000 3.858 303 I HA 0.110 4.257 4.170 -0.039 0.000 0.325 303 I C 1.338 177.554 176.117 0.164 0.000 1.403 303 I CA 0.232 61.584 61.300 0.086 0.000 1.169 303 I CB -0.546 37.505 38.000 0.085 0.000 1.077 303 I HN 0.077 nan 8.210 nan 0.000 0.403 304 K N 0.428 120.945 120.400 0.196 0.000 2.242 304 K HA 0.134 4.430 4.320 -0.039 0.000 0.200 304 K C 1.141 177.908 176.600 0.279 0.000 1.050 304 K CA 0.417 56.910 56.287 0.344 0.000 0.981 304 K CB -0.124 32.553 32.500 0.295 0.000 0.795 304 K HN 0.053 nan 8.250 nan 0.000 0.477 305 N N 2.349 121.142 118.700 0.156 0.000 2.551 305 N HA -0.051 4.665 4.740 -0.039 0.000 0.199 305 N C -0.287 175.247 175.510 0.039 0.000 1.277 305 N CA 0.499 53.615 53.050 0.111 0.000 0.870 305 N CB 0.145 38.679 38.487 0.079 0.000 1.028 305 N HN 0.345 nan 8.380 nan 0.000 0.452 306 S N 0.079 115.767 115.700 -0.019 0.000 2.528 306 S HA 0.047 4.493 4.470 -0.039 0.000 0.277 306 S C 1.278 175.800 174.600 -0.130 0.000 1.297 306 S CA -0.595 57.536 58.200 -0.116 0.000 1.052 306 S CB 2.030 65.082 63.200 -0.247 0.000 0.917 306 S HN 0.123 nan 8.310 nan 0.000 0.492 307 Q N 2.542 122.287 119.800 -0.091 0.000 2.268 307 Q HA -0.267 4.050 4.340 -0.039 0.000 0.210 307 Q C 1.967 177.894 176.000 -0.123 0.000 0.988 307 Q CA 2.289 58.048 55.803 -0.073 0.000 0.883 307 Q CB -0.476 28.230 28.738 -0.052 0.000 0.911 307 Q HN 0.943 nan 8.270 nan 0.000 0.430 308 Q N -1.364 118.305 119.800 -0.218 0.000 1.998 308 Q HA -0.244 4.073 4.340 -0.039 0.000 0.209 308 Q C 1.468 177.327 176.000 -0.236 0.000 1.002 308 Q CA 2.207 57.833 55.803 -0.295 0.000 0.858 308 Q CB -0.249 28.161 28.738 -0.546 0.000 0.932 308 Q HN 0.587 nan 8.270 nan 0.000 0.416 309 Y N 0.421 120.569 120.300 -0.253 0.000 2.220 309 Y HA -0.067 4.460 4.550 -0.038 0.000 0.291 309 Y C 2.181 177.709 175.900 -0.619 0.000 1.129 309 Y CA 0.766 58.544 58.100 -0.537 0.000 1.161 309 Y CB -0.485 37.553 38.460 -0.704 0.000 0.997 309 Y HN 0.093 nan 8.280 nan 0.000 0.522 310 K N 0.238 120.542 120.400 -0.160 0.000 2.097 310 K HA -0.291 4.006 4.320 -0.039 0.000 0.214 310 K C 1.549 178.156 176.600 0.012 0.000 1.052 310 K CA 2.155 58.449 56.287 0.012 0.000 0.932 310 K CB -0.405 32.129 32.500 0.057 0.000 0.716 310 K HN 0.291 nan 8.250 nan 0.000 0.455 311 D N 0.487 120.870 120.400 -0.028 0.000 2.123 311 D HA -0.132 4.485 4.640 -0.039 0.000 0.196 311 D C 1.904 178.206 176.300 0.003 0.000 0.992 311 D CA 0.983 54.980 54.000 -0.004 0.000 0.833 311 D CB -0.216 40.572 40.800 -0.020 0.000 0.954 311 D HN 0.213 nan 8.370 nan 0.000 0.455 312 I N -0.179 120.356 120.570 -0.058 0.000 2.202 312 I HA -0.284 3.862 4.170 -0.039 0.000 0.242 312 I C 2.115 178.321 176.117 0.148 0.000 1.091 312 I CA 0.991 62.275 61.300 -0.025 0.000 1.368 312 I CB -0.193 37.725 38.000 -0.136 0.000 1.058 312 I HN 0.103 nan 8.210 nan 0.000 0.410 313 Y N 0.532 120.934 120.300 0.170 0.000 2.145 313 Y HA -0.273 4.257 4.550 -0.033 0.000 0.286 313 Y C 2.550 178.527 175.900 0.128 0.000 1.145 313 Y CA 0.715 58.953 58.100 0.230 0.000 1.148 313 Y CB -0.371 38.246 38.460 0.262 0.000 0.981 313 Y HN 0.155 nan 8.280 nan 0.000 0.507 314 E N 0.307 120.657 120.200 0.250 0.000 2.273 314 E HA -0.218 4.108 4.350 -0.039 0.000 0.198 314 E C 0.363 177.011 176.600 0.079 0.000 1.002 314 E CA 1.093 57.576 56.400 0.138 0.000 0.828 314 E CB -0.224 29.535 29.700 0.098 0.000 0.747 314 E HN 0.416 nan 8.360 nan 0.000 0.491 315 N N -0.188 118.561 118.700 0.082 0.000 2.538 315 N HA 0.130 4.847 4.740 -0.039 0.000 0.291 315 N C -1.559 173.971 175.510 0.034 0.000 1.323 315 N CA -0.065 53.009 53.050 0.040 0.000 0.934 315 N CB 1.222 39.730 38.487 0.035 0.000 1.255 315 N HN -0.159 nan 8.380 nan 0.000 0.509 316 S N -1.069 114.625 115.700 -0.009 0.000 2.599 316 S HA 0.635 5.082 4.470 -0.039 0.000 0.294 316 S C -0.837 173.474 174.600 -0.481 0.000 1.094 316 S CA -0.693 57.427 58.200 -0.134 0.000 0.931 316 S CB 2.148 65.375 63.200 0.046 0.000 1.093 316 S HN 0.003 nan 8.310 nan 0.000 0.488 317 S N 1.147 116.492 115.700 -0.592 0.000 2.614 317 S HA 0.698 5.144 4.470 -0.039 0.000 0.288 317 S C -1.676 172.584 174.600 -0.566 0.000 1.137 317 S CA -0.606 57.248 58.200 -0.577 0.000 0.992 317 S CB 0.168 63.226 63.200 -0.237 0.000 1.026 317 S HN 0.488 nan 8.310 nan 0.000 0.486 318 F N 2.329 122.271 119.950 -0.014 0.000 2.443 318 F HA 0.551 5.059 4.527 -0.031 0.000 0.335 318 F C 0.770 176.523 175.800 -0.078 0.000 1.104 318 F CA -0.785 57.186 58.000 -0.048 0.000 1.013 318 F CB 2.228 41.217 39.000 -0.017 0.000 1.136 318 F HN 0.286 nan 8.300 nan 0.000 0.470 319 T N 1.929 116.542 114.554 0.099 0.000 2.887 319 T HA 0.805 5.131 4.350 -0.039 0.000 0.288 319 T C -0.953 173.749 174.700 0.002 0.000 1.021 319 T CA -0.838 61.277 62.100 0.024 0.000 1.000 319 T CB 1.865 70.735 68.868 0.004 0.000 1.034 319 T HN 0.761 nan 8.240 nan 0.000 0.467 320 A N 1.935 124.745 122.820 -0.017 0.000 2.459 320 A HA 0.772 5.069 4.320 -0.039 0.000 0.296 320 A C -1.283 176.302 177.584 0.002 0.000 1.039 320 A CA -0.677 51.345 52.037 -0.024 0.000 0.698 320 A CB 1.317 20.258 19.000 -0.099 0.000 1.261 320 A HN 0.684 nan 8.150 nan 0.000 0.405 321 V N 1.948 121.887 119.914 0.041 0.000 2.686 321 V HA 0.517 4.613 4.120 -0.039 0.000 0.306 321 V C -0.516 175.620 176.094 0.070 0.000 1.065 321 V CA -0.719 61.615 62.300 0.056 0.000 0.894 321 V CB 1.837 33.708 31.823 0.080 0.000 1.004 321 V HN 0.698 nan 8.190 nan 0.000 0.424 322 V N 5.713 125.654 119.914 0.044 0.000 2.333 322 V HA 0.421 4.518 4.120 -0.039 0.000 0.274 322 V C -0.073 176.052 176.094 0.052 0.000 1.028 322 V CA -0.344 61.978 62.300 0.037 0.000 0.851 322 V CB 1.291 33.129 31.823 0.025 0.000 1.000 322 V HN 0.639 nan 8.190 nan 0.000 0.456 323 L N 4.318 125.581 121.223 0.067 0.000 2.276 323 L HA 0.583 4.900 4.340 -0.039 0.000 0.286 323 L C 1.271 178.154 176.870 0.023 0.000 1.061 323 L CA 0.090 54.967 54.840 0.062 0.000 0.807 323 L CB 1.273 43.413 42.059 0.136 0.000 1.177 323 L HN 0.919 nan 8.230 nan 0.000 0.429 324 G N 2.577 111.375 108.800 -0.005 0.000 2.198 324 G HA2 -0.209 3.728 3.960 -0.039 0.000 0.260 324 G HA3 -0.209 3.728 3.960 -0.039 0.000 0.260 324 G C 0.429 175.366 174.900 0.061 0.000 1.025 324 G CA 0.127 45.214 45.100 -0.022 0.000 0.769 324 G HN 0.933 nan 8.290 nan 0.000 0.507 325 G N -0.812 108.030 108.800 0.070 0.000 2.525 325 G HA2 0.506 4.443 3.960 -0.039 0.000 0.287 325 G HA3 0.506 4.443 3.960 -0.039 0.000 0.287 325 G C 0.420 175.403 174.900 0.138 0.000 1.350 325 G CA 0.308 45.484 45.100 0.127 0.000 1.039 325 G HN 0.138 nan 8.290 nan 0.000 0.513 326 D N -0.487 120.000 120.400 0.146 0.000 2.340 326 D HA 0.318 4.934 4.640 -0.039 0.000 0.220 326 D C 0.985 177.344 176.300 0.098 0.000 1.039 326 D CA 0.596 54.676 54.000 0.134 0.000 0.866 326 D CB 0.537 41.414 40.800 0.128 0.000 0.913 326 D HN 0.414 nan 8.370 nan 0.000 0.523 327 A N 0.677 123.547 122.820 0.084 0.000 3.297 327 A HA 0.134 4.431 4.320 -0.039 0.000 0.304 327 A C 1.254 178.874 177.584 0.060 0.000 0.963 327 A CA -0.533 51.554 52.037 0.084 0.000 0.935 327 A CB 0.330 19.387 19.000 0.095 0.000 1.093 327 A HN -0.129 nan 8.150 nan 0.000 0.480 328 Q N 0.126 119.944 119.800 0.031 0.000 2.181 328 Q HA -0.207 4.109 4.340 -0.039 0.000 0.205 328 Q C 1.454 177.431 176.000 -0.039 0.000 0.980 328 Q CA 1.815 57.615 55.803 -0.006 0.000 0.862 328 Q CB 0.221 28.943 28.738 -0.025 0.000 0.905 328 Q HN 0.896 nan 8.270 nan 0.000 0.429 329 E N -0.328 119.827 120.200 -0.074 0.000 2.112 329 E HA -0.113 4.214 4.350 -0.039 0.000 0.190 329 E C -0.025 176.404 176.600 -0.286 0.000 0.979 329 E CA 0.485 56.765 56.400 -0.200 0.000 0.814 329 E CB 0.220 29.749 29.700 -0.285 0.000 0.762 329 E HN 0.426 nan 8.360 nan 0.000 0.460 330 H N 0.323 119.392 119.070 -0.001 0.000 2.369 330 H HA 0.104 4.636 4.556 -0.039 0.000 0.228 330 H C 0.410 175.735 175.328 -0.005 0.000 1.548 330 H CA -0.380 55.665 56.048 -0.004 0.000 1.275 330 H CB 0.143 29.903 29.762 -0.004 0.000 1.549 330 H HN 0.122 nan 8.280 nan 0.000 0.542 331 N N 0.796 119.538 118.700 0.069 0.000 2.197 331 N HA -0.012 4.705 4.740 -0.039 0.000 0.201 331 N C 0.186 175.715 175.510 0.031 0.000 1.148 331 N CA -0.081 52.995 53.050 0.045 0.000 0.883 331 N CB 0.891 39.394 38.487 0.027 0.000 1.012 331 N HN 0.253 nan 8.380 nan 0.000 0.507 332 K N 0.795 121.213 120.400 0.030 0.000 2.203 332 K HA 0.545 4.842 4.320 -0.039 0.000 0.251 332 K C -1.466 175.142 176.600 0.012 0.000 0.944 332 K CA -0.578 55.718 56.287 0.016 0.000 0.829 332 K CB 2.065 34.570 32.500 0.008 0.000 1.125 332 K HN -0.148 nan 8.250 nan 0.000 0.430 333 V N 3.257 123.168 119.914 -0.004 0.000 2.668 333 V HA 0.346 4.443 4.120 -0.039 0.000 0.304 333 V C -1.106 174.978 176.094 -0.016 0.000 1.071 333 V CA -0.999 61.292 62.300 -0.015 0.000 0.894 333 V CB 1.876 33.676 31.823 -0.038 0.000 1.008 333 V HN 0.509 nan 8.190 nan 0.000 0.425 334 V N 3.626 123.533 119.914 -0.012 0.000 2.483 334 V HA 0.839 4.936 4.120 -0.039 0.000 0.297 334 V C -0.049 176.039 176.094 -0.009 0.000 1.027 334 V CA -0.118 62.175 62.300 -0.012 0.000 0.855 334 V CB 1.946 33.757 31.823 -0.021 0.000 0.995 334 V HN 1.026 nan 8.190 nan 0.000 0.424 335 T N 3.033 117.592 114.554 0.008 0.000 2.816 335 T HA 0.425 4.752 4.350 -0.039 0.000 0.299 335 T C 0.309 175.021 174.700 0.020 0.000 1.230 335 T CA -0.782 61.335 62.100 0.028 0.000 1.007 335 T CB 2.698 71.601 68.868 0.059 0.000 1.289 335 T HN 0.514 nan 8.240 nan 0.000 0.508 336 K N -0.008 120.414 120.400 0.037 0.000 2.358 336 K HA 0.135 4.432 4.320 -0.039 0.000 0.200 336 K C -0.330 176.428 176.600 0.262 0.000 1.030 336 K CA 0.008 56.298 56.287 0.007 0.000 1.097 336 K CB 0.458 32.953 32.500 -0.009 0.000 0.862 336 K HN 0.421 nan 8.250 nan 0.000 0.534 337 D N 0.120 120.670 120.400 0.250 0.000 2.454 337 D HA 0.037 4.653 4.640 -0.039 0.000 0.225 337 D C 0.338 176.756 176.300 0.196 0.000 1.081 337 D CA -0.526 53.602 54.000 0.212 0.000 0.864 337 D CB 0.356 41.215 40.800 0.099 0.000 1.040 337 D HN -0.090 nan 8.370 nan 0.000 0.517 338 F N 2.508 122.453 119.950 -0.008 0.000 2.269 338 F HA -0.146 4.354 4.527 -0.045 0.000 0.301 338 F C 1.539 177.248 175.800 -0.152 0.000 1.082 338 F CA 1.111 58.964 58.000 -0.246 0.000 1.360 338 F CB 0.318 38.977 39.000 -0.569 0.000 1.041 338 F HN 0.342 nan 8.300 nan 0.000 0.512 339 D N 0.299 120.727 120.400 0.046 0.000 2.228 339 D HA -0.194 4.423 4.640 -0.039 0.000 0.203 339 D C 2.087 178.334 176.300 -0.088 0.000 0.988 339 D CA 1.274 55.273 54.000 -0.002 0.000 0.864 339 D CB -0.232 40.576 40.800 0.014 0.000 0.928 339 D HN 0.472 nan 8.370 nan 0.000 0.469 340 E N -0.257 119.876 120.200 -0.111 0.000 2.107 340 E HA -0.093 4.234 4.350 -0.039 0.000 0.191 340 E C 2.038 178.500 176.600 -0.230 0.000 0.982 340 E CA 0.367 56.689 56.400 -0.130 0.000 0.809 340 E CB 0.180 29.830 29.700 -0.083 0.000 0.756 340 E HN 0.305 nan 8.360 nan 0.000 0.459 341 I N 1.047 121.362 120.570 -0.426 0.000 2.353 341 I HA -0.185 3.961 4.170 -0.039 0.000 0.248 341 I C 2.261 178.088 176.117 -0.484 0.000 1.119 341 I CA 1.087 62.031 61.300 -0.594 0.000 1.417 341 I CB -0.913 36.343 38.000 -1.240 0.000 1.078 341 I HN 0.075 nan 8.210 nan 0.000 0.421 342 R N 0.920 121.179 120.500 -0.402 0.000 2.081 342 R HA -0.184 4.133 4.340 -0.039 0.000 0.235 342 R C 2.277 178.482 176.300 -0.158 0.000 1.131 342 R CA 1.214 57.203 56.100 -0.186 0.000 0.960 342 R CB -0.346 29.927 30.300 -0.045 0.000 0.856 342 R HN 0.347 nan 8.270 nan 0.000 0.436 343 K N 0.997 121.310 120.400 -0.146 0.000 2.026 343 K HA -0.125 4.172 4.320 -0.039 0.000 0.208 343 K C 2.066 178.592 176.600 -0.124 0.000 1.048 343 K CA 1.414 57.635 56.287 -0.111 0.000 0.929 343 K CB -0.028 32.418 32.500 -0.090 0.000 0.713 343 K HN -0.023 nan 8.250 nan 0.000 0.439 344 V N 1.999 121.823 119.914 -0.151 0.000 2.250 344 V HA -0.328 3.769 4.120 -0.039 0.000 0.250 344 V C 2.336 178.333 176.094 -0.163 0.000 1.060 344 V CA 2.144 64.358 62.300 -0.143 0.000 1.030 344 V CB -0.439 31.287 31.823 -0.161 0.000 0.643 344 V HN 0.333 nan 8.190 nan 0.000 0.445 345 I N -0.593 119.835 120.570 -0.236 0.000 2.127 345 I HA -0.295 3.852 4.170 -0.039 0.000 0.241 345 I C 2.579 178.597 176.117 -0.166 0.000 1.075 345 I CA 1.870 62.997 61.300 -0.288 0.000 1.334 345 I CB -0.498 37.250 38.000 -0.420 0.000 1.040 345 I HN 0.261 nan 8.210 nan 0.000 0.405 346 K N 0.636 120.960 120.400 -0.126 0.000 2.032 346 K HA -0.206 4.091 4.320 -0.039 0.000 0.209 346 K C 1.733 178.296 176.600 -0.062 0.000 1.048 346 K CA 1.848 58.088 56.287 -0.078 0.000 0.927 346 K CB -0.273 32.188 32.500 -0.065 0.000 0.712 346 K HN 0.247 nan 8.250 nan 0.000 0.441 347 D N 0.525 120.886 120.400 -0.065 0.000 2.221 347 D HA -0.123 4.493 4.640 -0.039 0.000 0.204 347 D C 0.870 177.150 176.300 -0.033 0.000 0.982 347 D CA 0.963 54.934 54.000 -0.048 0.000 0.857 347 D CB -0.152 40.620 40.800 -0.047 0.000 0.934 347 D HN 0.165 nan 8.370 nan 0.000 0.475 348 N N -0.081 118.598 118.700 -0.035 0.000 2.279 348 N HA 0.176 4.893 4.740 -0.039 0.000 0.226 348 N C 0.761 176.287 175.510 0.027 0.000 1.126 348 N CA -0.029 53.023 53.050 0.004 0.000 0.846 348 N CB 0.974 39.463 38.487 0.003 0.000 1.050 348 N HN 0.026 nan 8.380 nan 0.000 0.502 349 A N -0.245 122.576 122.820 0.002 0.000 2.208 349 A HA 0.099 4.395 4.320 -0.039 0.000 0.209 349 A C 1.002 178.601 177.584 0.025 0.000 1.161 349 A CA 0.738 52.788 52.037 0.022 0.000 0.782 349 A CB 0.251 19.250 19.000 -0.003 0.000 0.816 349 A HN 0.039 nan 8.150 nan 0.000 0.477 350 T N -0.738 113.810 114.554 -0.010 0.000 2.916 350 T HA 0.612 4.939 4.350 -0.039 0.000 0.292 350 T C -1.008 173.629 174.700 -0.105 0.000 1.064 350 T CA -0.287 61.762 62.100 -0.085 0.000 1.011 350 T CB 1.433 70.215 68.868 -0.143 0.000 1.152 350 T HN 0.449 nan 8.240 nan 0.000 0.510 351 F N -0.285 119.440 119.950 -0.375 0.000 2.588 351 F HA 0.808 5.306 4.527 -0.047 0.000 0.310 351 F C -0.450 175.098 175.800 -0.420 0.000 1.082 351 F CA -1.125 56.477 58.000 -0.663 0.000 0.929 351 F CB 1.425 39.369 39.000 -1.760 0.000 1.254 351 F HN 0.446 nan 8.300 nan 0.000 0.455 352 S N 1.244 116.847 115.700 -0.161 0.000 2.457 352 S HA 0.308 4.754 4.470 -0.039 0.000 0.289 352 S C 0.975 175.620 174.600 0.075 0.000 1.163 352 S CA 0.121 58.271 58.200 -0.084 0.000 1.078 352 S CB 0.772 64.028 63.200 0.092 0.000 0.987 352 S HN 1.075 nan 8.310 nan 0.000 0.482 353 T N 2.184 116.729 114.554 -0.014 0.000 3.163 353 T HA 0.135 4.462 4.350 -0.039 0.000 0.260 353 T C 0.871 175.644 174.700 0.121 0.000 1.156 353 T CA 0.639 62.786 62.100 0.078 0.000 1.072 353 T CB -0.248 68.548 68.868 -0.119 0.000 0.937 353 T HN 0.653 nan 8.240 nan 0.000 0.528 354 K N 0.471 120.941 120.400 0.116 0.000 2.399 354 K HA 0.285 4.581 4.320 -0.039 0.000 0.204 354 K C -0.471 176.160 176.600 0.051 0.000 1.023 354 K CA -0.241 56.079 56.287 0.054 0.000 1.127 354 K CB 0.318 32.784 32.500 -0.056 0.000 0.856 354 K HN 0.300 nan 8.250 nan 0.000 0.514 355 N N 1.318 120.072 118.700 0.091 0.000 2.292 355 N HA 0.283 4.999 4.740 -0.039 0.000 0.303 355 N C -2.761 172.798 175.510 0.081 0.000 1.140 355 N CA -1.694 51.410 53.050 0.090 0.000 0.788 355 N CB 1.266 39.823 38.487 0.116 0.000 1.361 355 N HN -0.105 nan 8.380 nan 0.000 0.489 356 P HA 0.223 nan 4.420 nan 0.000 0.271 356 P C -1.521 175.662 177.300 -0.194 0.000 1.216 356 P CA -0.323 62.691 63.100 -0.143 0.000 0.771 356 P CB 0.618 32.194 31.700 -0.206 0.000 0.864 357 A N 3.807 126.471 122.820 -0.259 0.000 2.318 357 A HA 0.609 4.906 4.320 -0.039 0.000 0.317 357 A C -1.073 176.357 177.584 -0.257 0.000 1.159 357 A CA -0.602 51.352 52.037 -0.139 0.000 0.799 357 A CB 0.472 19.413 19.000 -0.097 0.000 1.194 357 A HN 0.460 nan 8.150 nan 0.000 0.479 358 Y N 2.410 122.770 120.300 0.100 0.000 2.419 358 Y HA 0.484 5.009 4.550 -0.042 0.000 0.328 358 Y C -1.958 173.992 175.900 0.084 0.000 1.162 358 Y CA -2.831 55.363 58.100 0.158 0.000 1.174 358 Y CB 0.966 39.472 38.460 0.077 0.000 1.228 358 Y HN 0.479 nan 8.280 nan 0.000 0.473 359 P HA -0.053 nan 4.420 nan 0.000 0.263 359 P C 0.123 177.332 177.300 -0.151 0.000 1.195 359 P CA 0.481 63.455 63.100 -0.209 0.000 0.762 359 P CB 0.939 32.580 31.700 -0.098 0.000 0.799 360 I N 1.381 121.795 120.570 -0.261 0.000 3.172 360 I HA 0.030 4.177 4.170 -0.039 0.000 0.278 360 I C 1.350 177.391 176.117 -0.127 0.000 1.174 360 I CA 1.098 62.288 61.300 -0.184 0.000 1.445 360 I CB -0.409 37.438 38.000 -0.255 0.000 1.175 360 I HN 0.473 nan 8.210 nan 0.000 0.447 361 S N -0.302 115.313 115.700 -0.141 0.000 2.655 361 S HA 0.598 5.044 4.470 -0.039 0.000 0.266 361 S C -1.270 173.337 174.600 0.013 0.000 1.149 361 S CA -0.682 57.480 58.200 -0.063 0.000 0.818 361 S CB 1.821 64.943 63.200 -0.129 0.000 1.130 361 S HN 0.172 nan 8.310 nan 0.000 0.476 362 Y N -1.598 118.605 120.300 -0.160 0.000 2.604 362 Y HA 0.745 5.271 4.550 -0.040 0.000 0.331 362 Y C -1.163 174.660 175.900 -0.129 0.000 1.158 362 Y CA -0.748 57.262 58.100 -0.150 0.000 1.056 362 Y CB 0.921 39.291 38.460 -0.152 0.000 1.330 362 Y HN 0.937 nan 8.280 nan 0.000 0.457 363 T N 0.457 114.969 114.554 -0.070 0.000 2.807 363 T HA 0.741 5.068 4.350 -0.039 0.000 0.279 363 T C -0.456 174.231 174.700 -0.022 0.000 0.993 363 T CA -0.793 61.218 62.100 -0.149 0.000 0.970 363 T CB 1.680 70.487 68.868 -0.101 0.000 0.950 363 T HN 0.702 nan 8.240 nan 0.000 0.441 364 S N 0.978 116.620 115.700 -0.096 0.000 2.747 364 S HA 0.847 5.293 4.470 -0.039 0.000 0.300 364 S C -0.598 173.910 174.600 -0.154 0.000 1.121 364 S CA -0.734 57.426 58.200 -0.065 0.000 0.995 364 S CB 1.358 64.515 63.200 -0.073 0.000 1.113 364 S HN 0.685 nan 8.310 nan 0.000 0.547 365 V N 1.508 121.331 119.914 -0.152 0.000 2.733 365 V HA 0.391 4.487 4.120 -0.039 0.000 0.306 365 V C -1.283 174.752 176.094 -0.098 0.000 1.084 365 V CA -0.724 61.500 62.300 -0.126 0.000 0.905 365 V CB 1.557 33.373 31.823 -0.012 0.000 1.010 365 V HN 0.828 nan 8.190 nan 0.000 0.424 366 F N 3.987 123.969 119.950 0.052 0.000 2.538 366 F HA 0.179 4.684 4.527 -0.038 0.000 0.371 366 F C 1.591 177.461 175.800 0.117 0.000 1.087 366 F CA 0.012 58.058 58.000 0.078 0.000 1.250 366 F CB 0.649 39.719 39.000 0.117 0.000 1.110 366 F HN 0.436 nan 8.300 nan 0.000 0.570 367 L N 2.698 124.127 121.223 0.343 0.000 2.012 367 L HA -0.245 4.072 4.340 -0.039 0.000 0.210 367 L C 2.518 179.542 176.870 0.256 0.000 1.073 367 L CA 1.565 56.568 54.840 0.271 0.000 0.748 367 L CB -0.429 41.808 42.059 0.298 0.000 0.891 367 L HN 0.673 nan 8.230 nan 0.000 0.431 368 K N 0.577 121.149 120.400 0.287 0.000 2.001 368 K HA -0.259 4.038 4.320 -0.039 0.000 0.223 368 K C 1.415 178.105 176.600 0.150 0.000 1.055 368 K CA 2.384 58.788 56.287 0.195 0.000 0.965 368 K CB -0.131 32.473 32.500 0.173 0.000 0.730 368 K HN 0.464 nan 8.250 nan 0.000 0.449 369 D N -1.554 118.955 120.400 0.183 0.000 2.398 369 D HA -0.025 4.591 4.640 -0.039 0.000 0.210 369 D C -0.337 176.056 176.300 0.155 0.000 1.094 369 D CA 0.003 54.086 54.000 0.138 0.000 0.839 369 D CB -0.408 40.459 40.800 0.113 0.000 0.963 369 D HN 0.457 nan 8.370 nan 0.000 0.506 370 N N 0.171 118.985 118.700 0.191 0.000 2.741 370 N HA -0.185 4.532 4.740 -0.039 0.000 0.250 370 N C -0.559 175.041 175.510 0.149 0.000 1.115 370 N CA 0.677 53.819 53.050 0.153 0.000 0.724 370 N CB -0.906 37.645 38.487 0.106 0.000 1.090 370 N HN 0.464 nan 8.380 nan 0.000 0.558 371 S N -0.726 115.108 115.700 0.223 0.000 2.586 371 S HA 0.492 4.938 4.470 -0.039 0.000 0.274 371 S C 0.516 175.212 174.600 0.159 0.000 1.281 371 S CA -0.774 57.551 58.200 0.208 0.000 1.035 371 S CB 2.196 65.563 63.200 0.278 0.000 0.962 371 S HN 0.096 nan 8.310 nan 0.000 0.512 372 V N 2.901 122.860 119.914 0.075 0.000 2.655 372 V HA 0.445 4.542 4.120 -0.039 0.000 0.300 372 V C 1.094 177.139 176.094 -0.081 0.000 1.044 372 V CA 0.117 62.401 62.300 -0.026 0.000 1.095 372 V CB 0.108 31.916 31.823 -0.025 0.000 0.952 372 V HN 1.145 nan 8.190 nan 0.000 0.485 373 A N 4.326 126.968 122.820 -0.298 0.000 2.304 373 A HA 0.845 5.141 4.320 -0.039 0.000 0.271 373 A C 0.229 177.685 177.584 -0.213 0.000 1.091 373 A CA 0.114 51.892 52.037 -0.432 0.000 0.812 373 A CB 0.790 19.342 19.000 -0.746 0.000 1.056 373 A HN 1.675 nan 8.150 nan 0.000 0.489 374 A N 0.820 123.555 122.820 -0.141 0.000 2.509 374 A HA 0.532 4.828 4.320 -0.039 0.000 0.282 374 A C -0.596 176.855 177.584 -0.222 0.000 1.054 374 A CA -0.460 51.456 52.037 -0.202 0.000 0.820 374 A CB 0.443 19.304 19.000 -0.233 0.000 1.333 374 A HN 1.655 nan 8.150 nan 0.000 0.409 375 V N 2.532 122.329 119.914 -0.195 0.000 2.485 375 V HA 0.191 4.288 4.120 -0.039 0.000 0.287 375 V C 0.237 176.232 176.094 -0.165 0.000 1.022 375 V CA 0.013 62.248 62.300 -0.108 0.000 1.067 375 V CB -0.305 31.458 31.823 -0.101 0.000 0.967 375 V HN 0.760 nan 8.190 nan 0.000 0.479 376 H N 5.126 124.188 119.070 -0.013 0.000 2.594 376 H HA 0.331 4.864 4.556 -0.038 0.000 0.304 376 H C -0.107 175.216 175.328 -0.008 0.000 1.068 376 H CA -0.245 55.800 56.048 -0.005 0.000 1.308 376 H CB 1.371 31.139 29.762 0.010 0.000 1.409 376 H HN 0.795 nan 8.280 nan 0.000 0.460 377 N N 3.329 122.069 118.700 0.066 0.000 2.321 377 N HA 0.173 4.890 4.740 -0.039 0.000 0.299 377 N C -1.241 174.298 175.510 0.048 0.000 1.048 377 N CA -0.553 52.521 53.050 0.040 0.000 0.836 377 N CB 2.343 40.831 38.487 0.000 0.000 1.269 377 N HN 0.518 nan 8.380 nan 0.000 0.486 378 K N 1.813 122.240 120.400 0.046 0.000 2.578 378 K HA 0.295 4.591 4.320 -0.039 0.000 0.250 378 K C -1.706 174.921 176.600 0.044 0.000 0.955 378 K CA -0.467 55.849 56.287 0.048 0.000 0.825 378 K CB 1.560 34.088 32.500 0.047 0.000 1.151 378 K HN 0.650 nan 8.250 nan 0.000 0.432 379 T N 2.089 116.679 114.554 0.060 0.000 2.916 379 T HA 0.385 4.711 4.350 -0.039 0.000 0.305 379 T C -1.780 172.995 174.700 0.125 0.000 1.119 379 T CA -0.726 61.417 62.100 0.073 0.000 1.008 379 T CB 1.192 70.094 68.868 0.058 0.000 1.129 379 T HN 0.492 nan 8.240 nan 0.000 0.480 380 D N 2.884 123.347 120.400 0.104 0.000 2.217 380 D HA 0.578 5.195 4.640 -0.039 0.000 0.243 380 D C -0.802 175.578 176.300 0.133 0.000 1.054 380 D CA 0.035 54.084 54.000 0.080 0.000 0.838 380 D CB 0.862 41.663 40.800 0.003 0.000 1.162 380 D HN 0.618 nan 8.370 nan 0.000 0.472 381 Y N -1.162 119.101 120.300 -0.061 0.000 2.553 381 Y HA 0.631 5.159 4.550 -0.038 0.000 0.347 381 Y C -1.117 174.680 175.900 -0.172 0.000 1.019 381 Y CA -1.469 56.589 58.100 -0.069 0.000 1.032 381 Y CB 1.011 39.470 38.460 -0.001 0.000 1.284 381 Y HN 0.193 nan 8.280 nan 0.000 0.466 382 I N 3.130 123.577 120.570 -0.206 0.000 2.291 382 I HA 0.113 4.260 4.170 -0.039 0.000 0.292 382 I C 0.087 175.972 176.117 -0.386 0.000 1.064 382 I CA -0.231 60.819 61.300 -0.416 0.000 1.269 382 I CB 0.740 38.550 38.000 -0.318 0.000 1.418 382 I HN 0.650 nan 8.210 nan 0.000 0.485 383 E N 5.080 124.919 120.200 -0.602 0.000 2.238 383 E HA 0.048 4.374 4.350 -0.039 0.000 0.264 383 E C -0.478 175.894 176.600 -0.380 0.000 1.136 383 E CA 0.186 56.208 56.400 -0.631 0.000 0.929 383 E CB 0.642 30.020 29.700 -0.538 0.000 1.010 383 E HN 0.430 nan 8.360 nan 0.000 0.440 384 T N 3.322 117.723 114.554 -0.255 0.000 2.744 384 T HA 0.246 4.573 4.350 -0.039 0.000 0.291 384 T C -0.609 174.098 174.700 0.013 0.000 0.957 384 T CA -0.372 61.701 62.100 -0.046 0.000 1.002 384 T CB 0.727 69.639 68.868 0.074 0.000 0.919 384 T HN 0.294 nan 8.240 nan 0.000 0.468 385 T N 2.133 116.673 114.554 -0.023 0.000 2.815 385 T HA 0.591 4.917 4.350 -0.039 0.000 0.289 385 T C 0.062 174.742 174.700 -0.033 0.000 1.000 385 T CA -0.961 61.131 62.100 -0.013 0.000 0.958 385 T CB 1.213 70.064 68.868 -0.029 0.000 0.944 385 T HN 0.532 nan 8.240 nan 0.000 0.442 386 S N 1.953 117.631 115.700 -0.037 0.000 2.704 386 S HA 0.897 5.344 4.470 -0.039 0.000 0.305 386 S C -0.509 174.030 174.600 -0.102 0.000 1.107 386 S CA -0.745 57.412 58.200 -0.072 0.000 0.993 386 S CB 1.591 64.748 63.200 -0.070 0.000 1.110 386 S HN 0.869 nan 8.310 nan 0.000 0.534 387 T N -0.346 114.117 114.554 -0.151 0.000 3.237 387 T HA 0.534 4.861 4.350 -0.039 0.000 0.319 387 T C -1.119 173.362 174.700 -0.364 0.000 1.037 387 T CA -0.788 61.160 62.100 -0.254 0.000 1.048 387 T CB 1.021 69.756 68.868 -0.221 0.000 1.081 387 T HN 0.887 nan 8.240 nan 0.000 0.455 388 E N 2.720 122.685 120.200 -0.392 0.000 2.183 388 E HA 0.588 4.914 4.350 -0.039 0.000 0.271 388 E C -1.560 174.811 176.600 -0.381 0.000 0.919 388 E CA -0.959 55.264 56.400 -0.296 0.000 0.781 388 E CB 1.346 30.962 29.700 -0.140 0.000 1.140 388 E HN 0.699 nan 8.360 nan 0.000 0.402 389 Y N 1.363 121.730 120.300 0.112 0.000 2.485 389 Y HA 0.411 4.938 4.550 -0.038 0.000 0.345 389 Y C -0.261 175.708 175.900 0.114 0.000 0.998 389 Y CA -1.017 57.158 58.100 0.126 0.000 1.059 389 Y CB 2.634 41.210 38.460 0.193 0.000 1.234 389 Y HN 0.498 nan 8.280 nan 0.000 0.461 390 S N 2.396 118.237 115.700 0.235 0.000 2.501 390 S HA 0.413 4.859 4.470 -0.039 0.000 0.301 390 S C -0.673 173.988 174.600 0.102 0.000 1.096 390 S CA -1.362 56.921 58.200 0.139 0.000 1.063 390 S CB 1.196 64.446 63.200 0.084 0.000 1.042 390 S HN 0.450 nan 8.310 nan 0.000 0.494 391 K N 0.888 121.328 120.400 0.067 0.000 2.402 391 K HA 0.421 4.717 4.320 -0.039 0.000 0.265 391 K C 0.604 177.194 176.600 -0.016 0.000 0.978 391 K CA -0.085 56.209 56.287 0.012 0.000 0.913 391 K CB 0.127 32.628 32.500 0.002 0.000 0.954 391 K HN 0.778 nan 8.250 nan 0.000 0.511 392 G N -0.158 108.601 108.800 -0.068 0.000 2.682 392 G HA2 0.485 4.422 3.960 -0.039 0.000 0.303 392 G HA3 0.485 4.422 3.960 -0.039 0.000 0.303 392 G C -1.717 173.094 174.900 -0.148 0.000 1.341 392 G CA -0.678 44.370 45.100 -0.086 0.000 0.784 392 G HN 0.507 nan 8.290 nan 0.000 0.497 393 K N -0.741 119.558 120.400 -0.168 0.000 2.556 393 K HA 0.536 4.833 4.320 -0.039 0.000 0.274 393 K C -1.685 174.759 176.600 -0.260 0.000 0.966 393 K CA -0.795 55.357 56.287 -0.225 0.000 0.865 393 K CB 1.956 34.350 32.500 -0.178 0.000 1.444 393 K HN 0.477 nan 8.250 nan 0.000 0.433 394 I N 1.751 122.120 120.570 -0.336 0.000 2.315 394 I HA 0.216 4.363 4.170 -0.039 0.000 0.291 394 I C -0.637 175.270 176.117 -0.350 0.000 1.006 394 I CA -0.806 60.277 61.300 -0.362 0.000 1.265 394 I CB 1.019 38.745 38.000 -0.456 0.000 1.387 394 I HN 0.524 nan 8.210 nan 0.000 0.475 395 N N 7.610 126.134 118.700 -0.292 0.000 2.546 395 N HA 0.440 5.157 4.740 -0.039 0.000 0.238 395 N C -1.066 174.287 175.510 -0.261 0.000 0.984 395 N CA -0.534 52.364 53.050 -0.254 0.000 0.935 395 N CB 1.139 39.518 38.487 -0.181 0.000 1.122 395 N HN 0.388 nan 8.380 nan 0.000 0.510 396 L N 1.376 122.397 121.223 -0.336 0.000 2.312 396 L HA 0.427 4.743 4.340 -0.039 0.000 0.281 396 L C -0.013 176.757 176.870 -0.167 0.000 1.070 396 L CA -0.292 54.347 54.840 -0.336 0.000 0.805 396 L CB 0.917 42.564 42.059 -0.686 0.000 1.174 396 L HN 0.522 nan 8.230 nan 0.000 0.434 397 D N 1.727 122.117 120.400 -0.017 0.000 2.479 397 D HA 0.093 4.710 4.640 -0.039 0.000 0.246 397 D C -1.435 174.982 176.300 0.195 0.000 1.336 397 D CA -0.493 53.518 54.000 0.019 0.000 0.967 397 D CB 1.174 41.950 40.800 -0.041 0.000 1.275 397 D HN 0.462 nan 8.370 nan 0.000 0.577 398 H N 2.012 121.155 119.070 0.122 0.000 2.556 398 H HA 0.382 4.915 4.556 -0.039 0.000 0.310 398 H C -0.206 175.104 175.328 -0.030 0.000 1.057 398 H CA -0.579 55.557 56.048 0.148 0.000 1.264 398 H CB 1.086 31.025 29.762 0.294 0.000 1.404 398 H HN 0.193 nan 8.280 nan 0.000 0.462 399 S N 2.252 118.134 115.700 0.303 0.000 3.031 399 S HA 0.315 4.761 4.470 -0.039 0.000 0.253 399 S C 0.706 175.370 174.600 0.108 0.000 0.996 399 S CA -0.186 58.045 58.200 0.052 0.000 1.098 399 S CB -0.074 63.142 63.200 0.027 0.000 1.042 399 S HN 0.673 nan 8.310 nan 0.000 0.593 400 G N 0.744 109.636 108.800 0.154 0.000 2.420 400 G HA2 0.573 4.510 3.960 -0.039 0.000 0.284 400 G HA3 0.573 4.510 3.960 -0.039 0.000 0.284 400 G C 0.399 175.136 174.900 -0.272 0.000 1.177 400 G CA -0.479 44.547 45.100 -0.124 0.000 0.841 400 G HN 0.650 nan 8.290 nan 0.000 0.527 401 A N 1.726 124.542 122.820 -0.008 0.000 2.958 401 A HA 0.554 4.851 4.320 -0.039 0.000 0.247 401 A C -0.244 177.438 177.584 0.164 0.000 1.679 401 A CA -0.197 51.878 52.037 0.063 0.000 1.345 401 A CB -1.304 17.779 19.000 0.139 0.000 1.013 401 A HN 0.987 nan 8.150 nan 0.000 0.641 402 Y N -4.494 115.879 120.300 0.123 0.000 2.725 402 Y HA 0.617 5.144 4.550 -0.039 0.000 0.333 402 Y C -0.826 175.137 175.900 0.106 0.000 1.242 402 Y CA -1.786 56.346 58.100 0.054 0.000 1.059 402 Y CB 0.637 39.085 38.460 -0.021 0.000 1.306 402 Y HN -0.150 nan 8.280 nan 0.000 0.454 403 V N 1.721 121.749 119.914 0.191 0.000 2.439 403 V HA 0.851 4.947 4.120 -0.039 0.000 0.282 403 V C 0.067 176.177 176.094 0.025 0.000 1.039 403 V CA 0.016 62.367 62.300 0.084 0.000 0.913 403 V CB 0.526 32.339 31.823 -0.017 0.000 0.983 403 V HN 1.063 nan 8.190 nan 0.000 0.460 404 A N 4.625 127.431 122.820 -0.023 0.000 2.469 404 A HA 0.861 5.158 4.320 -0.039 0.000 0.299 404 A C -0.943 176.522 177.584 -0.199 0.000 1.098 404 A CA -0.775 51.140 52.037 -0.204 0.000 0.737 404 A CB 1.878 20.630 19.000 -0.413 0.000 1.312 404 A HN 0.737 nan 8.150 nan 0.000 0.414 405 Q N 0.387 120.101 119.800 -0.144 0.000 2.337 405 Q HA 0.560 4.877 4.340 -0.039 0.000 0.270 405 Q C -1.722 174.281 176.000 0.005 0.000 1.043 405 Q CA -0.243 55.583 55.803 0.037 0.000 0.794 405 Q CB 2.399 31.342 28.738 0.341 0.000 1.281 405 Q HN 0.632 nan 8.270 nan 0.000 0.446 406 F N 0.867 120.911 119.950 0.158 0.000 2.403 406 F HA 0.349 4.853 4.527 -0.039 0.000 0.326 406 F C 0.542 176.310 175.800 -0.054 0.000 1.081 406 F CA -0.523 57.586 58.000 0.181 0.000 1.041 406 F CB 1.378 40.581 39.000 0.338 0.000 1.234 406 F HN 0.416 nan 8.300 nan 0.000 0.503 407 E N 1.991 122.330 120.200 0.231 0.000 2.460 407 E HA 0.431 4.757 4.350 -0.039 0.000 0.249 407 E C -2.006 174.674 176.600 0.133 0.000 0.962 407 E CA -0.259 56.114 56.400 -0.046 0.000 0.787 407 E CB 1.539 31.264 29.700 0.041 0.000 1.341 407 E HN 0.409 nan 8.360 nan 0.000 0.407 408 V N 2.624 122.643 119.914 0.174 0.000 2.409 408 V HA 0.844 4.940 4.120 -0.039 0.000 0.291 408 V C -0.243 176.016 176.094 0.275 0.000 1.020 408 V CA -0.411 62.016 62.300 0.212 0.000 0.848 408 V CB 1.286 33.184 31.823 0.126 0.000 0.990 408 V HN 0.711 nan 8.190 nan 0.000 0.430 409 A N 4.736 127.722 122.820 0.277 0.000 2.587 409 A HA 1.046 5.343 4.320 -0.039 0.000 0.293 409 A C -1.567 176.205 177.584 0.313 0.000 1.087 409 A CA -0.618 51.467 52.037 0.079 0.000 0.692 409 A CB 1.843 20.855 19.000 0.020 0.000 1.291 409 A HN 1.376 nan 8.150 nan 0.000 0.407 410 W N -0.164 121.057 121.300 -0.131 0.000 2.895 410 W HA 0.746 5.383 4.660 -0.039 0.000 0.377 410 W C -1.911 174.573 176.519 -0.058 0.000 1.191 410 W CA -0.548 56.770 57.345 -0.044 0.000 1.179 410 W CB 0.537 29.955 29.460 -0.071 0.000 1.469 410 W HN 0.504 nan 8.180 nan 0.000 0.577 411 D N 0.527 121.042 120.400 0.192 0.000 2.433 411 D HA 0.338 4.955 4.640 -0.039 0.000 0.236 411 D C -1.287 175.082 176.300 0.116 0.000 1.026 411 D CA -0.654 53.394 54.000 0.079 0.000 0.884 411 D CB 2.187 43.054 40.800 0.112 0.000 1.384 411 D HN 0.448 nan 8.370 nan 0.000 0.477 412 E N 0.736 120.943 120.200 0.012 0.000 2.141 412 E HA 0.298 4.625 4.350 -0.039 0.000 0.259 412 E C -0.704 175.836 176.600 -0.101 0.000 0.883 412 E CA -0.647 55.740 56.400 -0.022 0.000 0.744 412 E CB 2.405 32.092 29.700 -0.022 0.000 1.150 412 E HN 0.078 nan 8.360 nan 0.000 0.420 413 V N 3.244 123.066 119.914 -0.153 0.000 2.715 413 V HA 0.225 4.321 4.120 -0.039 0.000 0.299 413 V C -0.571 175.380 176.094 -0.239 0.000 1.054 413 V CA 0.495 62.667 62.300 -0.213 0.000 1.077 413 V CB 1.126 32.847 31.823 -0.170 0.000 0.972 413 V HN 0.699 nan 8.190 nan 0.000 0.484 414 S N 4.939 120.434 115.700 -0.341 0.000 2.607 414 S HA 0.733 5.179 4.470 -0.039 0.000 0.273 414 S C -1.689 172.638 174.600 -0.455 0.000 1.148 414 S CA -0.527 57.556 58.200 -0.194 0.000 0.833 414 S CB 1.749 64.906 63.200 -0.072 0.000 1.130 414 S HN 0.601 nan 8.310 nan 0.000 0.470 415 Y N 1.157 121.532 120.300 0.126 0.000 2.354 415 Y HA 0.332 4.859 4.550 -0.038 0.000 0.330 415 Y C 0.204 176.145 175.900 0.069 0.000 1.011 415 Y CA -1.106 57.051 58.100 0.095 0.000 1.099 415 Y CB 1.174 39.699 38.460 0.109 0.000 1.179 415 Y HN 0.831 nan 8.280 nan 0.000 0.442 416 D N 1.037 121.536 120.400 0.165 0.000 2.228 416 D HA 0.046 4.663 4.640 -0.039 0.000 0.259 416 D C 0.660 177.017 176.300 0.095 0.000 1.249 416 D CA -0.049 54.013 54.000 0.102 0.000 0.997 416 D CB 0.750 41.588 40.800 0.064 0.000 1.151 416 D HN 0.448 nan 8.370 nan 0.000 0.536 417 K N -1.010 119.422 120.400 0.054 0.000 2.228 417 K HA -0.028 4.268 4.320 -0.039 0.000 0.202 417 K C 1.371 177.974 176.600 0.005 0.000 1.051 417 K CA 0.786 57.090 56.287 0.028 0.000 0.960 417 K CB 0.022 32.529 32.500 0.012 0.000 0.743 417 K HN 0.372 nan 8.250 nan 0.000 0.458 418 E N 0.060 120.269 120.200 0.014 0.000 2.489 418 E HA 0.035 4.362 4.350 -0.039 0.000 0.193 418 E C 0.686 177.295 176.600 0.015 0.000 1.057 418 E CA 0.412 56.808 56.400 -0.007 0.000 0.866 418 E CB 0.257 29.957 29.700 -0.000 0.000 0.916 418 E HN 0.371 nan 8.360 nan 0.000 0.500 419 G N 2.358 111.196 108.800 0.063 0.000 2.326 419 G HA2 -0.209 3.728 3.960 -0.039 0.000 0.286 419 G HA3 -0.209 3.728 3.960 -0.039 0.000 0.286 419 G C -0.434 174.569 174.900 0.171 0.000 1.096 419 G CA -0.114 45.046 45.100 0.099 0.000 1.003 419 G HN 0.143 nan 8.290 nan 0.000 0.503 420 N N -0.037 118.796 118.700 0.223 0.000 2.272 420 N HA 0.387 5.104 4.740 -0.039 0.000 0.305 420 N C -0.147 175.500 175.510 0.228 0.000 1.103 420 N CA -0.734 52.438 53.050 0.204 0.000 0.791 420 N CB 1.687 40.233 38.487 0.098 0.000 1.356 420 N HN 0.517 nan 8.380 nan 0.000 0.486 421 E N 0.625 120.917 120.200 0.152 0.000 2.392 421 E HA 0.195 4.521 4.350 -0.039 0.000 0.264 421 E C -1.034 175.488 176.600 -0.130 0.000 1.024 421 E CA -0.028 56.308 56.400 -0.108 0.000 0.903 421 E CB 0.608 30.298 29.700 -0.016 0.000 0.963 421 E HN 0.185 nan 8.360 nan 0.000 0.432 422 V N 6.681 126.452 119.914 -0.239 0.000 2.439 422 V HA 0.189 4.286 4.120 -0.039 0.000 0.277 422 V C -0.440 175.572 176.094 -0.136 0.000 1.008 422 V CA -0.586 61.634 62.300 -0.134 0.000 0.846 422 V CB 0.911 32.678 31.823 -0.094 0.000 1.031 422 V HN 0.603 nan 8.190 nan 0.000 0.441 423 L N 3.743 124.912 121.223 -0.089 0.000 2.281 423 L HA 0.457 4.773 4.340 -0.039 0.000 0.285 423 L C 0.505 177.353 176.870 -0.037 0.000 1.074 423 L CA 0.247 55.049 54.840 -0.062 0.000 0.817 423 L CB 1.007 43.047 42.059 -0.032 0.000 1.168 423 L HN 0.487 nan 8.230 nan 0.000 0.434 424 T N 1.728 116.257 114.554 -0.041 0.000 2.801 424 T HA 0.185 4.511 4.350 -0.039 0.000 0.306 424 T C -0.264 174.411 174.700 -0.042 0.000 1.020 424 T CA -0.407 61.671 62.100 -0.037 0.000 0.948 424 T CB 0.058 68.895 68.868 -0.052 0.000 0.962 424 T HN 0.343 nan 8.240 nan 0.000 0.465 425 H N 3.645 122.629 119.070 -0.143 0.000 2.732 425 H HA 0.400 4.933 4.556 -0.039 0.000 0.351 425 H C 0.036 175.172 175.328 -0.319 0.000 1.090 425 H CA 0.416 56.336 56.048 -0.212 0.000 1.431 425 H CB 0.438 30.106 29.762 -0.157 0.000 1.447 425 H HN 0.219 nan 8.280 nan 0.000 0.582 426 K N 2.532 122.269 120.400 -1.106 0.000 2.435 426 K HA 0.397 4.694 4.320 -0.039 0.000 0.251 426 K C -0.778 174.946 176.600 -1.460 0.000 0.954 426 K CA -0.764 54.833 56.287 -1.149 0.000 0.820 426 K CB 1.977 33.732 32.500 -1.241 0.000 1.292 426 K HN 0.846 nan 8.250 nan 0.000 0.436 427 T N -2.697 111.314 114.554 -0.905 0.000 2.883 427 T HA 0.520 4.847 4.350 -0.039 0.000 0.296 427 T C -1.145 173.458 174.700 -0.161 0.000 1.117 427 T CA -0.843 60.933 62.100 -0.541 0.000 1.006 427 T CB 1.501 70.218 68.868 -0.251 0.000 1.191 427 T HN 0.544 nan 8.240 nan 0.000 0.508 428 W N 1.296 122.528 121.300 -0.113 0.000 2.438 428 W HA 0.466 5.103 4.660 -0.039 0.000 0.324 428 W C 0.138 176.630 176.519 -0.045 0.000 1.119 428 W CA -0.715 56.650 57.345 0.033 0.000 1.221 428 W CB 0.731 30.251 29.460 0.101 0.000 1.253 428 W HN 0.843 nan 8.180 nan 0.000 0.555 429 D N 2.341 122.438 120.400 -0.506 0.000 2.084 429 D HA -0.108 4.509 4.640 -0.039 0.000 0.194 429 D C 2.145 177.898 176.300 -0.912 0.000 0.990 429 D CA 2.142 55.798 54.000 -0.574 0.000 0.826 429 D CB -0.592 39.964 40.800 -0.408 0.000 0.971 429 D HN 0.603 nan 8.370 nan 0.000 0.453 430 G N -0.135 107.508 108.800 -1.929 0.000 2.843 430 G HA2 -0.164 3.772 3.960 -0.039 0.000 0.205 430 G HA3 -0.164 3.772 3.960 -0.039 0.000 0.205 430 G C 0.295 174.553 174.900 -1.070 0.000 1.160 430 G CA -0.054 43.957 45.100 -1.815 0.000 0.819 430 G HN 0.099 nan 8.290 nan 0.000 0.516 431 N N -0.014 118.255 118.700 -0.717 0.000 2.513 431 N HA 0.257 4.974 4.740 -0.039 0.000 0.268 431 N C 0.100 175.264 175.510 -0.576 0.000 1.180 431 N CA -0.259 52.444 53.050 -0.578 0.000 0.948 431 N CB 0.054 38.096 38.487 -0.742 0.000 1.083 431 N HN 0.372 nan 8.380 nan 0.000 0.455 432 Y N -1.955 118.218 120.300 -0.212 0.000 4.177 432 Y HA -0.318 4.208 4.550 -0.039 0.000 0.227 432 Y C -0.109 175.739 175.900 -0.087 0.000 1.154 432 Y CA 0.208 58.169 58.100 -0.232 0.000 1.887 432 Y CB -2.079 36.187 38.460 -0.323 0.000 1.594 432 Y HN 0.529 nan 8.280 nan 0.000 0.668 433 Q N 0.850 120.642 119.800 -0.013 0.000 2.333 433 Q HA 0.283 4.600 4.340 -0.039 0.000 0.267 433 Q C -0.355 175.640 176.000 -0.008 0.000 1.012 433 Q CA -1.164 54.624 55.803 -0.026 0.000 0.824 433 Q CB 1.469 30.127 28.738 -0.134 0.000 1.290 433 Q HN 0.079 nan 8.270 nan 0.000 0.449 434 D N 2.717 123.125 120.400 0.014 0.000 2.419 434 D HA 0.078 4.694 4.640 -0.039 0.000 0.236 434 D C -0.287 175.986 176.300 -0.047 0.000 1.165 434 D CA 0.709 54.709 54.000 -0.000 0.000 0.882 434 D CB 0.686 41.496 40.800 0.016 0.000 1.201 434 D HN 0.143 nan 8.370 nan 0.000 0.443 435 K N 0.673 121.064 120.400 -0.014 0.000 2.523 435 K HA 0.422 4.719 4.320 -0.039 0.000 0.257 435 K C -0.147 176.503 176.600 0.084 0.000 0.932 435 K CA -0.660 55.617 56.287 -0.016 0.000 0.812 435 K CB 2.052 34.543 32.500 -0.014 0.000 1.326 435 K HN 0.569 nan 8.250 nan 0.000 0.433 436 T N -2.720 111.818 114.554 -0.027 0.000 2.773 436 T HA 0.665 4.992 4.350 -0.039 0.000 0.278 436 T C -0.001 174.484 174.700 -0.357 0.000 1.011 436 T CA -0.834 61.159 62.100 -0.178 0.000 1.014 436 T CB 1.051 69.880 68.868 -0.065 0.000 1.293 436 T HN 0.542 nan 8.240 nan 0.000 0.554 437 A N 1.960 124.597 122.820 -0.304 0.000 2.494 437 A HA 0.073 4.370 4.320 -0.039 0.000 0.291 437 A C 0.788 178.336 177.584 -0.059 0.000 0.951 437 A CA 0.948 52.860 52.037 -0.209 0.000 1.099 437 A CB -1.877 17.078 19.000 -0.074 0.000 0.783 437 A HN 1.381 nan 8.150 nan 0.000 0.433 438 H N 0.341 119.304 119.070 -0.177 0.000 2.861 438 H HA -0.237 4.296 4.556 -0.039 0.000 0.319 438 H C -1.047 174.301 175.328 0.034 0.000 0.994 438 H CA 1.698 57.718 56.048 -0.046 0.000 1.032 438 H CB -1.142 28.602 29.762 -0.030 0.000 1.615 438 H HN 0.881 nan 8.280 nan 0.000 0.357 439 Y N 2.793 123.110 120.300 0.030 0.000 2.341 439 Y HA 0.537 5.064 4.550 -0.039 0.000 0.338 439 Y C -0.724 175.251 175.900 0.124 0.000 0.965 439 Y CA -0.219 57.962 58.100 0.137 0.000 1.108 439 Y CB 1.314 39.881 38.460 0.177 0.000 1.180 439 Y HN 0.341 nan 8.280 nan 0.000 0.458 440 S N 3.542 118.874 115.700 -0.613 0.000 2.568 440 S HA 0.786 5.232 4.470 -0.039 0.000 0.293 440 S C -1.050 173.118 174.600 -0.720 0.000 1.089 440 S CA -0.699 57.211 58.200 -0.484 0.000 0.945 440 S CB 2.009 65.130 63.200 -0.132 0.000 1.077 440 S HN 0.756 nan 8.310 nan 0.000 0.485 441 T N 0.843 115.137 114.554 -0.434 0.000 2.907 441 T HA 0.470 4.796 4.350 -0.039 0.000 0.344 441 T C -2.087 172.485 174.700 -0.213 0.000 1.675 441 T CA -0.337 61.607 62.100 -0.259 0.000 1.076 441 T CB 0.950 69.779 68.868 -0.065 0.000 1.483 441 T HN 0.345 nan 8.240 nan 0.000 0.487 442 V N 4.507 124.337 119.914 -0.141 0.000 2.540 442 V HA 0.619 4.716 4.120 -0.039 0.000 0.302 442 V C -0.368 175.621 176.094 -0.175 0.000 1.035 442 V CA -0.738 61.457 62.300 -0.176 0.000 0.873 442 V CB 1.679 33.429 31.823 -0.122 0.000 0.992 442 V HN 0.748 nan 8.190 nan 0.000 0.428 443 I N 6.548 126.940 120.570 -0.297 0.000 2.428 443 I HA 0.372 4.519 4.170 -0.039 0.000 0.279 443 I C -2.541 173.399 176.117 -0.295 0.000 1.040 443 I CA -1.941 59.169 61.300 -0.316 0.000 1.171 443 I CB 1.583 39.224 38.000 -0.600 0.000 1.312 443 I HN 0.397 nan 8.210 nan 0.000 0.470 444 P HA 0.305 nan 4.420 nan 0.000 0.272 444 P C -0.783 176.364 177.300 -0.254 0.000 1.223 444 P CA -0.072 62.923 63.100 -0.174 0.000 0.784 444 P CB 0.850 32.500 31.700 -0.083 0.000 0.923 445 L N 1.621 122.685 121.223 -0.265 0.000 2.401 445 L HA 0.366 4.683 4.340 -0.039 0.000 0.266 445 L C 0.494 177.259 176.870 -0.176 0.000 0.991 445 L CA -1.048 53.588 54.840 -0.341 0.000 0.818 445 L CB 1.936 43.696 42.059 -0.499 0.000 1.321 445 L HN 0.237 nan 8.230 nan 0.000 0.413 446 E N 0.747 120.874 120.200 -0.122 0.000 2.392 446 E HA 0.139 4.465 4.350 -0.039 0.000 0.256 446 E C 0.586 177.134 176.600 -0.086 0.000 1.145 446 E CA 0.151 56.511 56.400 -0.068 0.000 0.929 446 E CB 1.350 31.020 29.700 -0.051 0.000 0.998 446 E HN 0.692 nan 8.360 nan 0.000 0.442 447 A N 2.482 125.287 122.820 -0.024 0.000 2.125 447 A HA -0.168 4.129 4.320 -0.039 0.000 0.219 447 A C 0.995 178.547 177.584 -0.053 0.000 1.156 447 A CA 1.158 53.227 52.037 0.053 0.000 0.671 447 A CB -0.481 18.661 19.000 0.235 0.000 0.794 447 A HN 0.538 nan 8.150 nan 0.000 0.459 448 N N 0.222 118.732 118.700 -0.317 0.000 2.558 448 N HA 0.376 5.092 4.740 -0.039 0.000 0.281 448 N C -0.248 175.102 175.510 -0.267 0.000 1.219 448 N CA 0.479 53.210 53.050 -0.531 0.000 0.942 448 N CB -0.043 37.696 38.487 -1.246 0.000 1.241 448 N HN 0.228 nan 8.380 nan 0.000 0.511 449 A N 1.050 123.767 122.820 -0.172 0.000 2.260 449 A HA 0.705 5.001 4.320 -0.039 0.000 0.308 449 A C -0.053 177.495 177.584 -0.061 0.000 1.254 449 A CA -0.547 51.451 52.037 -0.065 0.000 0.874 449 A CB 0.616 19.497 19.000 -0.197 0.000 1.153 449 A HN 0.345 nan 8.150 nan 0.000 0.527 450 R N 0.977 121.497 120.500 0.032 0.000 2.912 450 R HA 0.531 4.848 4.340 -0.039 0.000 0.262 450 R C -0.129 176.238 176.300 0.111 0.000 1.057 450 R CA -0.581 55.534 56.100 0.024 0.000 0.981 450 R CB 0.605 30.902 30.300 -0.005 0.000 1.201 450 R HN 0.848 nan 8.270 nan 0.000 0.484 451 N N -0.045 118.712 118.700 0.096 0.000 2.725 451 N HA -0.208 4.508 4.740 -0.039 0.000 0.251 451 N C -0.991 174.631 175.510 0.187 0.000 1.031 451 N CA 0.233 53.364 53.050 0.136 0.000 0.720 451 N CB -1.348 37.220 38.487 0.136 0.000 0.930 451 N HN 0.397 nan 8.380 nan 0.000 0.543 452 I N 1.163 121.827 120.570 0.157 0.000 2.517 452 I HA 0.042 4.188 4.170 -0.039 0.000 0.285 452 I C 0.876 177.072 176.117 0.132 0.000 1.106 452 I CA 0.189 61.589 61.300 0.166 0.000 1.402 452 I CB 0.258 38.281 38.000 0.038 0.000 1.399 452 I HN 0.159 nan 8.210 nan 0.000 0.535 453 R N 6.930 127.517 120.500 0.145 0.000 2.480 453 R HA 0.773 5.089 4.340 -0.039 0.000 0.306 453 R C -1.274 175.040 176.300 0.023 0.000 0.958 453 R CA -0.750 55.373 56.100 0.037 0.000 0.861 453 R CB 1.620 31.921 30.300 0.001 0.000 1.171 453 R HN 0.490 nan 8.270 nan 0.000 0.445 454 I N 2.610 123.159 120.570 -0.035 0.000 2.410 454 I HA 0.368 4.514 4.170 -0.039 0.000 0.286 454 I C -0.453 175.675 176.117 0.019 0.000 1.009 454 I CA -0.632 60.670 61.300 0.003 0.000 1.111 454 I CB 1.863 39.846 38.000 -0.029 0.000 1.262 454 I HN 0.566 nan 8.210 nan 0.000 0.443 455 K N 5.009 125.481 120.400 0.120 0.000 2.371 455 K HA 0.888 5.185 4.320 -0.039 0.000 0.251 455 K C -1.512 175.265 176.600 0.296 0.000 0.934 455 K CA -0.624 55.763 56.287 0.166 0.000 0.798 455 K CB 2.419 35.037 32.500 0.197 0.000 1.204 455 K HN 0.675 nan 8.250 nan 0.000 0.427 456 A N 3.587 126.511 122.820 0.173 0.000 2.381 456 A HA 0.626 4.922 4.320 -0.039 0.000 0.299 456 A C -1.310 176.251 177.584 -0.037 0.000 1.049 456 A CA -0.734 51.307 52.037 0.008 0.000 0.715 456 A CB 1.333 20.236 19.000 -0.162 0.000 1.222 456 A HN 0.753 nan 8.150 nan 0.000 0.428 457 R N 0.882 121.393 120.500 0.020 0.000 2.740 457 R HA 0.499 4.815 4.340 -0.039 0.000 0.282 457 R C -0.538 175.664 176.300 -0.164 0.000 0.969 457 R CA -0.518 55.535 56.100 -0.078 0.000 0.918 457 R CB 1.700 31.891 30.300 -0.182 0.000 1.175 457 R HN 0.786 nan 8.270 nan 0.000 0.464 458 E N 2.425 122.453 120.200 -0.286 0.000 2.200 458 E HA 0.129 4.455 4.350 -0.039 0.000 0.283 458 E C -0.809 175.295 176.600 -0.828 0.000 1.015 458 E CA -0.494 55.632 56.400 -0.457 0.000 0.819 458 E CB 0.818 30.168 29.700 -0.584 0.000 1.081 458 E HN 0.657 nan 8.360 nan 0.000 0.397 459 C N 4.467 123.123 119.300 -1.073 0.000 2.428 459 C HA 0.266 4.703 4.460 -0.039 0.000 0.362 459 C C 0.090 174.606 174.990 -0.790 0.000 1.114 459 C CA -0.345 57.596 59.018 -1.796 0.000 1.473 459 C CB -1.583 25.462 27.740 -1.159 0.000 2.003 459 C HN 0.467 nan 8.230 nan 0.000 0.526 460 T N 1.938 116.149 114.554 -0.571 0.000 3.446 460 T HA 0.583 4.909 4.350 -0.039 0.000 0.274 460 T C 0.081 175.003 174.700 0.371 0.000 0.834 460 T CA -0.041 62.071 62.100 0.020 0.000 1.479 460 T CB 0.566 69.389 68.868 -0.074 0.000 0.880 460 T HN 1.031 nan 8.240 nan 0.000 0.567 461 G N 0.832 109.979 108.800 0.578 0.000 2.315 461 G HA2 0.421 4.358 3.960 -0.039 0.000 0.294 461 G HA3 0.421 4.358 3.960 -0.039 0.000 0.294 461 G C -0.050 175.018 174.900 0.279 0.000 1.300 461 G CA -0.648 44.674 45.100 0.371 0.000 0.843 461 G HN 0.303 nan 8.290 nan 0.000 0.527 462 L N 0.393 121.648 121.223 0.053 0.000 1.944 462 L HA 0.416 4.733 4.340 -0.039 0.000 0.218 462 L C 1.646 178.530 176.870 0.024 0.000 1.075 462 L CA 3.757 58.589 54.840 -0.014 0.000 0.767 462 L CB -1.016 40.898 42.059 -0.243 0.000 0.890 462 L HN 1.518 nan 8.230 nan 0.000 0.434 463 A N -3.319 119.468 122.820 -0.055 0.000 2.686 463 A HA 0.259 4.556 4.320 -0.039 0.000 0.263 463 A C 0.723 177.516 177.584 -1.319 0.000 1.264 463 A CA 0.048 51.893 52.037 -0.321 0.000 0.799 463 A CB -0.941 18.092 19.000 0.056 0.000 1.363 463 A HN 0.525 nan 8.150 nan 0.000 0.507 464 W N 0.382 120.920 121.300 -1.271 0.000 2.352 464 W HA -0.151 4.486 4.660 -0.039 0.000 0.322 464 W C 1.274 177.335 176.519 -0.764 0.000 1.208 464 W CA 2.358 58.968 57.345 -1.226 0.000 1.286 464 W CB -0.559 28.657 29.460 -0.406 0.000 1.167 464 W HN 0.899 nan 8.180 nan 0.000 0.469 465 E N -0.580 119.194 120.200 -0.710 0.000 2.394 465 E HA -0.253 4.073 4.350 -0.039 0.000 0.202 465 E C 1.384 177.296 176.600 -1.147 0.000 1.029 465 E CA 1.537 57.322 56.400 -1.025 0.000 0.855 465 E CB -0.568 28.393 29.700 -1.230 0.000 0.770 465 E HN 0.294 nan 8.360 nan 0.000 0.527 466 W N -0.333 120.643 121.300 -0.540 0.000 2.846 466 W HA 0.135 4.772 4.660 -0.039 0.000 0.391 466 W C -0.108 176.255 176.519 -0.260 0.000 1.011 466 W CA -0.784 56.342 57.345 -0.365 0.000 1.832 466 W CB -0.014 29.272 29.460 -0.289 0.000 1.151 466 W HN 0.059 nan 8.180 nan 0.000 0.582 467 W N 2.198 123.408 121.300 -0.149 0.000 2.225 467 W HA 0.367 5.003 4.660 -0.039 0.000 0.377 467 W C 1.013 177.383 176.519 -0.248 0.000 1.418 467 W CA -1.203 56.039 57.345 -0.172 0.000 1.562 467 W CB -0.036 29.305 29.460 -0.197 0.000 1.297 467 W HN -0.279 nan 8.180 nan 0.000 0.686 468 R N 1.126 121.645 120.500 0.032 0.000 2.474 468 R HA 0.309 4.626 4.340 -0.039 0.000 0.295 468 R C -0.909 175.306 176.300 -0.141 0.000 0.980 468 R CA -0.756 55.292 56.100 -0.087 0.000 0.934 468 R CB 0.958 31.196 30.300 -0.103 0.000 1.101 468 R HN 0.155 nan 8.270 nan 0.000 0.469 469 D N 3.147 123.465 120.400 -0.138 0.000 2.349 469 D HA 0.010 4.627 4.640 -0.039 0.000 0.266 469 D C 1.251 177.475 176.300 -0.127 0.000 1.293 469 D CA -0.106 53.820 54.000 -0.123 0.000 0.926 469 D CB 1.343 42.101 40.800 -0.070 0.000 1.090 469 D HN 0.366 nan 8.370 nan 0.000 0.502 470 V N 3.033 122.855 119.914 -0.154 0.000 2.515 470 V HA -0.048 4.049 4.120 -0.039 0.000 0.250 470 V C 1.252 177.258 176.094 -0.147 0.000 1.058 470 V CA 0.873 63.059 62.300 -0.190 0.000 1.064 470 V CB -0.380 31.321 31.823 -0.203 0.000 0.675 470 V HN 0.548 nan 8.190 nan 0.000 0.461 471 I N -1.055 119.464 120.570 -0.084 0.000 2.731 471 I HA 0.458 4.604 4.170 -0.039 0.000 0.289 471 I C -1.352 174.763 176.117 -0.003 0.000 1.399 471 I CA -0.074 61.202 61.300 -0.039 0.000 1.048 471 I CB 2.107 40.096 38.000 -0.019 0.000 1.345 471 I HN -0.059 nan 8.210 nan 0.000 0.425 472 S N 6.127 121.836 115.700 0.015 0.000 2.779 472 S HA 0.554 5.000 4.470 -0.039 0.000 0.293 472 S C -1.369 173.253 174.600 0.038 0.000 1.150 472 S CA -0.493 57.709 58.200 0.003 0.000 1.057 472 S CB 0.919 64.169 63.200 0.084 0.000 1.021 472 S HN 0.585 nan 8.310 nan 0.000 0.485 473 E N 2.908 123.066 120.200 -0.069 0.000 2.248 473 E HA 0.455 4.782 4.350 -0.039 0.000 0.267 473 E C -1.566 174.986 176.600 -0.080 0.000 0.877 473 E CA -0.415 56.011 56.400 0.043 0.000 0.759 473 E CB 1.669 31.403 29.700 0.057 0.000 1.182 473 E HN 0.614 nan 8.360 nan 0.000 0.418 474 Y N -0.078 120.271 120.300 0.082 0.000 2.524 474 Y HA 0.190 4.717 4.550 -0.039 0.000 0.344 474 Y C 0.583 176.530 175.900 0.079 0.000 1.012 474 Y CA -0.951 57.199 58.100 0.083 0.000 1.068 474 Y CB 1.155 39.655 38.460 0.068 0.000 1.249 474 Y HN 0.443 nan 8.280 nan 0.000 0.468 475 D N 0.750 121.293 120.400 0.238 0.000 2.697 475 D HA -0.157 4.460 4.640 -0.039 0.000 0.235 475 D C -0.919 175.458 176.300 0.129 0.000 1.167 475 D CA 0.369 54.464 54.000 0.158 0.000 0.656 475 D CB -0.411 40.470 40.800 0.135 0.000 1.025 475 D HN 0.257 nan 8.370 nan 0.000 0.419 476 V N 2.268 122.259 119.914 0.129 0.000 2.529 476 V HA 0.111 4.208 4.120 -0.039 0.000 0.292 476 V C -1.357 174.812 176.094 0.125 0.000 1.028 476 V CA -0.714 61.679 62.300 0.154 0.000 1.074 476 V CB 0.867 32.771 31.823 0.135 0.000 0.958 476 V HN 0.209 nan 8.190 nan 0.000 0.481 477 P HA 0.043 nan 4.420 nan 0.000 0.264 477 P C -0.351 177.008 177.300 0.099 0.000 1.229 477 P CA -0.418 62.716 63.100 0.057 0.000 0.780 477 P CB 0.618 32.283 31.700 -0.058 0.000 0.808 478 L N 5.423 126.663 121.223 0.029 0.000 2.654 478 L HA 0.124 4.441 4.340 -0.039 0.000 0.271 478 L C 0.292 177.192 176.870 0.050 0.000 1.169 478 L CA 1.153 55.994 54.840 0.001 0.000 0.947 478 L CB -0.854 41.165 42.059 -0.067 0.000 1.232 478 L HN 0.535 nan 8.230 nan 0.000 0.486 479 T N 0.618 115.216 114.554 0.073 0.000 2.773 479 T HA 0.436 4.763 4.350 -0.039 0.000 0.278 479 T C 0.885 175.606 174.700 0.034 0.000 1.011 479 T CA -0.572 61.583 62.100 0.092 0.000 1.014 479 T CB 0.796 69.784 68.868 0.199 0.000 1.293 479 T HN 0.509 nan 8.240 nan 0.000 0.554 480 N N 1.055 119.774 118.700 0.032 0.000 2.270 480 N HA 0.006 4.722 4.740 -0.039 0.000 0.181 480 N C -0.274 175.215 175.510 -0.035 0.000 1.016 480 N CA 0.772 53.820 53.050 -0.002 0.000 0.870 480 N CB -0.183 38.308 38.487 0.006 0.000 0.979 480 N HN 0.510 nan 8.380 nan 0.000 0.431 481 N N 0.469 119.151 118.700 -0.029 0.000 2.549 481 N HA 0.296 5.013 4.740 -0.039 0.000 0.290 481 N C -1.205 174.220 175.510 -0.142 0.000 1.122 481 N CA -0.236 52.765 53.050 -0.083 0.000 0.885 481 N CB 1.944 40.392 38.487 -0.066 0.000 1.455 481 N HN -0.034 nan 8.380 nan 0.000 0.521 482 I N 2.242 122.679 120.570 -0.221 0.000 2.310 482 I HA 0.197 4.344 4.170 -0.039 0.000 0.287 482 I C -0.240 175.682 176.117 -0.326 0.000 1.073 482 I CA -0.536 60.538 61.300 -0.376 0.000 1.216 482 I CB 0.018 37.816 38.000 -0.337 0.000 1.415 482 I HN 0.196 nan 8.210 nan 0.000 0.480 483 N N 5.823 124.338 118.700 -0.309 0.000 2.482 483 N HA 0.263 4.979 4.740 -0.039 0.000 0.242 483 N C -0.694 174.718 175.510 -0.163 0.000 1.100 483 N CA -0.371 52.559 53.050 -0.201 0.000 0.946 483 N CB 1.003 39.410 38.487 -0.134 0.000 1.227 483 N HN 0.216 nan 8.380 nan 0.000 0.508 484 V N 1.591 121.414 119.914 -0.152 0.000 2.539 484 V HA 0.619 4.716 4.120 -0.039 0.000 0.292 484 V C 0.043 176.147 176.094 0.017 0.000 1.045 484 V CA -0.424 61.833 62.300 -0.072 0.000 0.945 484 V CB 1.262 33.023 31.823 -0.104 0.000 0.993 484 V HN 0.795 nan 8.190 nan 0.000 0.464 485 S N 4.699 120.478 115.700 0.132 0.000 2.563 485 S HA 0.661 5.108 4.470 -0.039 0.000 0.279 485 S C -0.961 173.831 174.600 0.321 0.000 1.155 485 S CA -0.846 57.498 58.200 0.240 0.000 0.928 485 S CB 1.215 64.561 63.200 0.244 0.000 1.107 485 S HN 0.836 nan 8.310 nan 0.000 0.462 486 I N -0.335 120.407 120.570 0.287 0.000 2.863 486 I HA 1.065 5.212 4.170 -0.039 0.000 0.311 486 I C -0.645 175.679 176.117 0.347 0.000 1.026 486 I CA -0.938 60.419 61.300 0.095 0.000 1.077 486 I CB 1.619 39.612 38.000 -0.013 0.000 1.262 486 I HN 1.013 nan 8.210 nan 0.000 0.461 487 W N 1.828 123.232 121.300 0.174 0.000 2.669 487 W HA 0.751 5.387 4.660 -0.039 0.000 0.450 487 W C -0.214 176.484 176.519 0.299 0.000 0.979 487 W CA -0.142 57.307 57.345 0.173 0.000 1.254 487 W CB -0.725 28.800 29.460 0.108 0.000 1.432 487 W HN 1.176 nan 8.180 nan 0.000 0.625 488 G N 0.417 109.603 108.800 0.643 0.000 2.632 488 G HA2 0.347 4.284 3.960 -0.039 0.000 0.224 488 G HA3 0.347 4.284 3.960 -0.039 0.000 0.224 488 G C -0.068 175.110 174.900 0.464 0.000 1.341 488 G CA 1.010 46.403 45.100 0.488 0.000 0.880 488 G HN 1.965 nan 8.290 nan 0.000 0.566 489 T N -4.131 110.630 114.554 0.346 0.000 2.937 489 T HA 0.667 4.994 4.350 -0.039 0.000 0.283 489 T C 1.568 176.314 174.700 0.077 0.000 1.012 489 T CA 0.900 63.179 62.100 0.298 0.000 0.997 489 T CB 1.448 70.472 68.868 0.260 0.000 1.136 489 T HN 1.077 nan 8.240 nan 0.000 0.551 490 T N 0.947 115.512 114.554 0.018 0.000 2.759 490 T HA -0.019 4.307 4.350 -0.039 0.000 0.269 490 T C 1.815 176.362 174.700 -0.254 0.000 1.042 490 T CA 1.358 63.330 62.100 -0.213 0.000 1.140 490 T CB -0.445 68.368 68.868 -0.093 0.000 0.864 490 T HN 0.468 nan 8.240 nan 0.000 0.455 491 L N -1.110 119.990 121.223 -0.205 0.000 2.162 491 L HA 0.089 4.406 4.340 -0.039 0.000 0.205 491 L C 0.388 176.869 176.870 -0.648 0.000 1.086 491 L CA 0.951 55.522 54.840 -0.448 0.000 0.778 491 L CB -0.029 41.698 42.059 -0.554 0.000 0.928 491 L HN 0.302 nan 8.230 nan 0.000 0.446 492 Y N -0.709 119.556 120.300 -0.058 0.000 2.553 492 Y HA 0.341 4.867 4.550 -0.039 0.000 0.369 492 Y C -2.239 173.620 175.900 -0.068 0.000 0.964 492 Y CA -2.778 55.296 58.100 -0.044 0.000 1.156 492 Y CB -0.341 38.126 38.460 0.013 0.000 1.218 492 Y HN -0.015 nan 8.280 nan 0.000 0.630 493 P HA 0.244 nan 4.420 nan 0.000 0.271 493 P C 0.419 177.572 177.300 -0.245 0.000 1.233 493 P CA -0.017 62.963 63.100 -0.199 0.000 0.789 493 P CB 1.020 32.477 31.700 -0.404 0.000 0.951 494 G N -0.840 107.627 108.800 -0.556 0.000 2.719 494 G HA2 0.584 4.520 3.960 -0.039 0.000 0.298 494 G HA3 0.584 4.520 3.960 -0.039 0.000 0.298 494 G C -1.348 172.452 174.900 -1.833 0.000 1.411 494 G CA -0.401 43.984 45.100 -1.191 0.000 0.991 494 G HN 0.625 nan 8.290 nan 0.000 0.509 495 S N -0.483 114.301 115.700 -1.526 0.000 2.596 495 S HA 0.902 5.348 4.470 -0.039 0.000 0.270 495 S C -0.586 173.777 174.600 -0.394 0.000 1.155 495 S CA 0.164 57.771 58.200 -0.988 0.000 0.827 495 S CB 1.892 64.863 63.200 -0.382 0.000 1.130 495 S HN 2.310 nan 8.310 nan 0.000 0.467 496 S N 0.811 116.557 115.700 0.076 0.000 2.552 496 S HA 0.698 5.145 4.470 -0.039 0.000 0.272 496 S C -1.634 173.053 174.600 0.145 0.000 1.150 496 S CA -0.815 57.531 58.200 0.243 0.000 0.849 496 S CB 1.047 64.549 63.200 0.504 0.000 1.113 496 S HN 1.587 nan 8.310 nan 0.000 0.458 497 I N 2.153 122.775 120.570 0.087 0.000 2.512 497 I HA 0.671 4.817 4.170 -0.039 0.000 0.287 497 I C -0.910 175.183 176.117 -0.040 0.000 1.069 497 I CA 0.128 61.412 61.300 -0.027 0.000 1.056 497 I CB 1.975 39.944 38.000 -0.053 0.000 1.229 497 I HN 0.879 nan 8.210 nan 0.000 0.429 498 T N 5.281 119.749 114.554 -0.143 0.000 2.940 498 T HA 0.613 4.939 4.350 -0.039 0.000 0.288 498 T C -1.364 173.174 174.700 -0.270 0.000 1.045 498 T CA -0.376 61.690 62.100 -0.057 0.000 1.018 498 T CB 1.298 70.164 68.868 -0.003 0.000 1.151 498 T HN 0.365 nan 8.240 nan 0.000 0.529 499 Y N 0.107 120.405 120.300 -0.004 0.000 2.576 499 Y HA 0.628 5.155 4.550 -0.039 0.000 0.346 499 Y C 0.484 176.374 175.900 -0.016 0.000 1.018 499 Y CA -0.915 57.177 58.100 -0.014 0.000 1.050 499 Y CB 2.016 40.471 38.460 -0.009 0.000 1.280 499 Y HN 0.524 nan 8.280 nan 0.000 0.474 500 N N 0.000 118.787 118.700 0.146 0.000 1.763 500 N HA 0.000 4.717 4.740 -0.039 0.000 0.220 500 N CA 0.000 53.092 53.050 0.071 0.000 0.885 500 N CB 0.000 38.500 38.487 0.021 0.000 1.341 500 N HN 0.000 nan 8.380 nan 0.000 0.667