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 1ntz_1_B DATA FIRST_RESID 17 DATA SEQUENCE VPPHPQDLEF TRLPNGLVIA SLENYAPASR IGLFIKAGSR YENSNNLGTS DATA SEQUENCE HLLRLASSLT TKGASSFKIT RGIEAVGGKL SVTSTRENMA YTVECLRDDV DATA SEQUENCE DILMEFLLNV TTAPEFRRWE VAALQPQLRI DKAVALQNPQ AHVIENLHAA DATA SEQUENCE AYRNALANSL YCPDYRIGKV TPVELHDYVQ NHFTSARMAL IGLGVSHPVL DATA SEQUENCE KQVAEQFLNI RGGLGLSGAK AKYHGGEIRE QNGDSLVHAA LVAESAAIGS DATA SEQUENCE AEANAFSVLQ HVLGAGPHVK RGSNATSSLY QAVAKGVHQP FDVSAFNASY DATA SEQUENCE SDSGLFGFYT ISQAASAGDV IKAAYNQVKT IAQGNLSNPD VQAAKNKLKA DATA SEQUENCE GYLMSVESSE GFLDEVGSQA LAAGSYTPPS TVLQQIDAVA DADVINAAKK DATA SEQUENCE FVSGRKSMAA SGNLGHTPFI DEL 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 17 V HA 0.000 nan 4.120 nan 0.000 0.244 17 V C 0.000 176.093 176.094 -0.002 0.000 1.182 17 V CA 0.000 62.303 62.300 0.005 0.000 1.235 17 V CB 0.000 31.827 31.823 0.006 0.000 1.184 18 P HA 0.767 nan 4.420 nan 0.000 0.281 18 P C -2.654 174.634 177.300 -0.020 0.000 1.249 18 P CA -1.050 62.045 63.100 -0.008 0.000 0.810 18 P CB 0.194 31.896 31.700 0.003 0.000 1.008 19 P HA 0.138 nan 4.420 nan 0.000 0.271 19 P C -0.620 176.616 177.300 -0.107 0.000 1.216 19 P CA -0.295 62.698 63.100 -0.179 0.000 0.776 19 P CB 0.029 31.610 31.700 -0.199 0.000 0.881 20 H N 1.495 120.573 119.070 0.013 0.000 3.001 20 H HA 0.155 4.711 4.556 -0.000 0.000 0.334 20 H C -1.762 173.601 175.328 0.058 0.000 1.034 20 H CA -1.442 54.622 56.048 0.026 0.000 1.420 20 H CB -0.940 28.834 29.762 0.020 0.000 1.405 20 H HN 0.345 nan 8.280 nan 0.000 0.593 21 P HA 0.052 nan 4.420 nan 0.000 0.335 21 P C -0.324 177.047 177.300 0.118 0.000 1.416 21 P CA -0.087 63.068 63.100 0.093 0.000 0.828 21 P CB 0.489 32.219 31.700 0.051 0.000 1.966 22 Q N -1.392 118.446 119.800 0.063 0.000 2.522 22 Q HA 0.320 4.660 4.340 -0.000 0.000 0.285 22 Q C -1.571 174.446 176.000 0.030 0.000 0.982 22 Q CA -0.515 55.320 55.803 0.053 0.000 0.805 22 Q CB 1.637 30.375 28.738 0.001 0.000 1.457 22 Q HN 0.287 nan 8.270 nan 0.000 0.394 23 D N 0.926 121.348 120.400 0.037 0.000 2.277 23 D HA 0.392 5.032 4.640 -0.000 0.000 0.250 23 D C -0.203 176.114 176.300 0.028 0.000 1.032 23 D CA -0.542 53.486 54.000 0.047 0.000 0.947 23 D CB 1.144 41.980 40.800 0.059 0.000 1.159 23 D HN 0.350 nan 8.370 nan 0.000 0.460 24 L N 0.859 122.107 121.223 0.040 0.000 2.416 24 L HA 0.168 4.508 4.340 -0.000 0.000 0.272 24 L C -0.036 176.849 176.870 0.026 0.000 1.161 24 L CA -0.080 54.764 54.840 0.007 0.000 0.845 24 L CB 0.323 42.304 42.059 -0.130 0.000 1.119 24 L HN 0.203 nan 8.230 nan 0.000 0.464 25 E N 5.246 125.450 120.200 0.006 0.000 2.175 25 E HA 0.279 4.629 4.350 -0.000 0.000 0.278 25 E C -1.446 175.174 176.600 0.033 0.000 0.969 25 E CA -0.409 55.922 56.400 -0.116 0.000 0.796 25 E CB 2.256 31.684 29.700 -0.454 0.000 1.104 25 E HN 0.464 nan 8.360 nan 0.000 0.395 26 F N 1.104 120.998 119.950 -0.093 0.000 2.551 26 F HA 0.402 4.929 4.527 -0.000 0.000 0.316 26 F C -0.882 174.960 175.800 0.071 0.000 1.089 26 F CA -0.230 57.802 58.000 0.055 0.000 0.915 26 F CB 2.210 41.248 39.000 0.063 0.000 1.186 26 F HN 0.195 nan 8.300 nan 0.000 0.456 27 T N 5.236 119.664 114.554 -0.210 0.000 3.237 27 T HA 0.367 4.717 4.350 -0.000 0.000 0.319 27 T C -1.025 173.577 174.700 -0.162 0.000 1.037 27 T CA -0.810 61.277 62.100 -0.022 0.000 1.048 27 T CB 1.329 70.278 68.868 0.136 0.000 1.081 27 T HN 0.476 nan 8.240 nan 0.000 0.455 28 R N 2.717 123.216 120.500 -0.000 0.000 2.254 28 R HA 0.539 4.879 4.340 -0.000 0.000 0.318 28 R C -0.172 176.130 176.300 0.004 0.000 1.031 28 R CA -0.679 55.421 56.100 0.000 0.000 0.905 28 R CB 1.209 31.563 30.300 0.089 0.000 1.050 28 R HN 0.482 nan 8.270 nan 0.000 0.456 29 L N 4.443 125.655 121.223 -0.019 0.000 2.439 29 L HA 0.226 4.566 4.340 -0.000 0.000 0.261 29 L C -0.921 175.949 176.870 0.001 0.000 1.153 29 L CA -1.893 52.941 54.840 -0.011 0.000 0.808 29 L CB 0.761 42.804 42.059 -0.026 0.000 1.126 29 L HN 0.377 nan 8.230 nan 0.000 0.460 30 P HA -0.133 nan 4.420 nan 0.000 0.222 30 P C 0.469 177.770 177.300 0.002 0.000 1.147 30 P CA 1.096 64.199 63.100 0.006 0.000 0.790 30 P CB -0.134 31.568 31.700 0.003 0.000 0.780 31 N N -0.690 118.008 118.700 -0.004 0.000 2.461 31 N HA 0.061 4.801 4.740 -0.000 0.000 0.188 31 N C 1.347 176.855 175.510 -0.003 0.000 1.134 31 N CA 0.836 53.883 53.050 -0.005 0.000 0.878 31 N CB -0.860 37.621 38.487 -0.011 0.000 0.972 31 N HN 0.225 nan 8.380 nan 0.000 0.456 32 G N -0.611 108.190 108.800 0.001 0.000 2.213 32 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.236 32 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.236 32 G C -0.217 174.682 174.900 -0.002 0.000 0.991 32 G CA 0.136 45.240 45.100 0.007 0.000 0.629 32 G HN 0.485 nan 8.290 nan 0.000 0.517 33 L N 1.519 122.732 121.223 -0.017 0.000 2.461 33 L HA 0.637 4.977 4.340 -0.000 0.000 0.272 33 L C 0.431 177.261 176.870 -0.066 0.000 1.197 33 L CA -0.088 54.732 54.840 -0.033 0.000 0.836 33 L CB 1.320 43.358 42.059 -0.035 0.000 1.105 33 L HN 0.105 nan 8.230 nan 0.000 0.477 34 V N 6.065 125.919 119.914 -0.100 0.000 2.555 34 V HA 0.490 4.610 4.120 -0.000 0.000 0.302 34 V C -0.211 175.724 176.094 -0.265 0.000 1.038 34 V CA -0.459 61.704 62.300 -0.229 0.000 0.887 34 V CB 1.830 33.526 31.823 -0.211 0.000 0.991 34 V HN 0.600 nan 8.190 nan 0.000 0.434 35 I N 3.999 124.344 120.570 -0.375 0.000 2.447 35 I HA 0.784 4.954 4.170 -0.000 0.000 0.287 35 I C -0.067 175.873 176.117 -0.295 0.000 1.023 35 I CA -0.438 60.689 61.300 -0.289 0.000 1.083 35 I CB 1.930 39.767 38.000 -0.272 0.000 1.245 35 I HN 0.656 nan 8.210 nan 0.000 0.434 36 A N 4.511 127.227 122.820 -0.173 0.000 2.393 36 A HA 0.911 5.230 4.320 -0.000 0.000 0.306 36 A C -0.545 177.069 177.584 0.050 0.000 1.050 36 A CA -0.484 51.544 52.037 -0.015 0.000 0.724 36 A CB 1.614 20.617 19.000 0.005 0.000 1.248 36 A HN 0.691 nan 8.150 nan 0.000 0.424 37 S N 1.769 117.562 115.700 0.155 0.000 2.546 37 S HA 0.800 5.270 4.470 -0.000 0.000 0.274 37 S C -1.213 173.446 174.600 0.098 0.000 1.121 37 S CA -0.661 57.614 58.200 0.123 0.000 0.887 37 S CB 1.479 64.764 63.200 0.142 0.000 1.094 37 S HN 1.089 nan 8.310 nan 0.000 0.474 38 L N 1.492 122.752 121.223 0.061 0.000 2.410 38 L HA 0.642 4.982 4.340 -0.000 0.000 0.270 38 L C -1.231 175.591 176.870 -0.079 0.000 0.983 38 L CA -0.444 54.395 54.840 -0.001 0.000 0.822 38 L CB 2.035 44.099 42.059 0.009 0.000 1.285 38 L HN 0.947 nan 8.230 nan 0.000 0.409 39 E N 4.591 124.697 120.200 -0.156 0.000 2.042 39 E HA 0.194 4.544 4.350 -0.000 0.000 0.260 39 E C -0.839 175.475 176.600 -0.477 0.000 0.975 39 E CA -0.379 55.827 56.400 -0.323 0.000 0.799 39 E CB 0.243 29.720 29.700 -0.370 0.000 1.131 39 E HN 0.592 nan 8.360 nan 0.000 0.423 40 N N 2.606 121.100 118.700 -0.343 0.000 2.455 40 N HA 0.086 4.826 4.740 -0.000 0.000 0.280 40 N C -0.542 174.793 175.510 -0.292 0.000 1.055 40 N CA -0.666 52.225 53.050 -0.264 0.000 0.961 40 N CB 0.644 39.032 38.487 -0.164 0.000 1.121 40 N HN 0.239 nan 8.380 nan 0.000 0.476 41 Y N 1.144 121.418 120.300 -0.043 0.000 3.028 41 Y HA 0.172 4.722 4.550 -0.000 0.000 0.381 41 Y C 0.900 176.782 175.900 -0.029 0.000 1.139 41 Y CA -0.554 57.526 58.100 -0.035 0.000 2.013 41 Y CB -0.676 37.759 38.460 -0.042 0.000 2.146 41 Y HN 0.624 nan 8.280 nan 0.000 0.412 42 A N 0.919 123.755 122.820 0.026 0.000 2.316 42 A HA 0.366 4.686 4.320 -0.000 0.000 0.284 42 A C -1.423 176.175 177.584 0.024 0.000 1.115 42 A CA -1.478 50.569 52.037 0.017 0.000 0.812 42 A CB 0.634 19.627 19.000 -0.013 0.000 1.064 42 A HN 0.264 nan 8.150 nan 0.000 0.489 43 P HA -0.001 nan 4.420 nan 0.000 0.220 43 P C 0.411 177.720 177.300 0.016 0.000 1.148 43 P CA 1.782 64.895 63.100 0.021 0.000 0.803 43 P CB 0.205 31.915 31.700 0.016 0.000 0.782 44 A N -1.432 121.395 122.820 0.012 0.000 2.288 44 A HA 0.686 5.006 4.320 -0.000 0.000 0.328 44 A C -0.076 177.514 177.584 0.011 0.000 1.123 44 A CA -0.277 51.767 52.037 0.012 0.000 0.861 44 A CB 1.018 20.026 19.000 0.013 0.000 1.272 44 A HN -0.085 nan 8.150 nan 0.000 0.490 45 S N -0.633 115.076 115.700 0.015 0.000 2.568 45 S HA 0.716 5.186 4.470 -0.000 0.000 0.293 45 S C -0.581 174.037 174.600 0.030 0.000 1.089 45 S CA -0.601 57.609 58.200 0.017 0.000 0.945 45 S CB 1.532 64.740 63.200 0.014 0.000 1.077 45 S HN 0.592 nan 8.310 nan 0.000 0.485 46 R N 1.811 122.335 120.500 0.040 0.000 2.514 46 R HA 0.511 4.851 4.340 -0.000 0.000 0.296 46 R C -1.567 174.773 176.300 0.068 0.000 1.012 46 R CA -0.452 55.682 56.100 0.057 0.000 0.897 46 R CB 0.970 31.316 30.300 0.077 0.000 1.184 46 R HN 0.453 nan 8.270 nan 0.000 0.440 47 I N 2.243 122.851 120.570 0.063 0.000 2.436 47 I HA 0.479 4.649 4.170 -0.000 0.000 0.289 47 I C 0.351 176.512 176.117 0.074 0.000 1.010 47 I CA -0.674 60.667 61.300 0.068 0.000 1.098 47 I CB 1.711 39.738 38.000 0.044 0.000 1.266 47 I HN 0.690 nan 8.210 nan 0.000 0.434 48 G N 5.607 114.480 108.800 0.123 0.000 2.566 48 G HA2 0.594 4.554 3.960 -0.000 0.000 0.311 48 G HA3 0.594 4.554 3.960 -0.000 0.000 0.311 48 G C -1.706 173.249 174.900 0.092 0.000 1.322 48 G CA -0.454 44.679 45.100 0.054 0.000 0.969 48 G HN 0.391 nan 8.290 nan 0.000 0.490 49 L N 2.456 123.656 121.223 -0.039 0.000 2.277 49 L HA 0.669 5.009 4.340 -0.000 0.000 0.284 49 L C -1.271 175.548 176.870 -0.085 0.000 1.028 49 L CA -1.082 53.771 54.840 0.021 0.000 0.835 49 L CB 0.132 42.181 42.059 -0.016 0.000 1.215 49 L HN 0.321 nan 8.230 nan 0.000 0.425 50 F N 5.975 125.925 119.950 -0.001 0.000 2.404 50 F HA 0.568 5.095 4.527 -0.000 0.000 0.345 50 F C 0.232 175.995 175.800 -0.061 0.000 1.110 50 F CA -0.241 57.753 58.000 -0.010 0.000 1.130 50 F CB 0.927 39.925 39.000 -0.003 0.000 1.129 50 F HN 0.255 nan 8.300 nan 0.000 0.500 51 I N 2.914 123.499 120.570 0.025 0.000 2.647 51 I HA 0.292 4.462 4.170 -0.000 0.000 0.295 51 I C -0.480 175.602 176.117 -0.058 0.000 1.078 51 I CA -1.100 60.130 61.300 -0.116 0.000 1.048 51 I CB 2.174 39.900 38.000 -0.457 0.000 1.239 51 I HN 0.384 nan 8.210 nan 0.000 0.421 52 K N 4.753 125.118 120.400 -0.058 0.000 2.083 52 K HA 0.423 4.743 4.320 -0.000 0.000 0.246 52 K C 0.321 176.832 176.600 -0.149 0.000 1.160 52 K CA -0.007 56.270 56.287 -0.016 0.000 1.060 52 K CB 0.414 32.879 32.500 -0.059 0.000 1.417 52 K HN 0.776 nan 8.250 nan 0.000 0.329 53 A N 1.824 124.656 122.820 0.020 0.000 2.674 53 A HA 0.215 4.535 4.320 -0.000 0.000 0.274 53 A C 0.819 178.588 177.584 0.309 0.000 1.065 53 A CA -0.306 51.761 52.037 0.051 0.000 0.978 53 A CB 0.479 19.538 19.000 0.098 0.000 1.242 53 A HN 0.613 nan 8.150 nan 0.000 0.583 54 G N 0.287 109.255 108.800 0.281 0.000 2.785 54 G HA2 0.260 4.220 3.960 -0.000 0.000 0.256 54 G HA3 0.260 4.220 3.960 -0.000 0.000 0.256 54 G C 1.239 176.195 174.900 0.093 0.000 1.248 54 G CA 0.470 45.647 45.100 0.128 0.000 0.914 54 G HN 0.874 nan 8.290 nan 0.000 0.580 55 S N -0.542 115.124 115.700 -0.055 0.000 2.440 55 S HA -0.229 4.241 4.470 -0.000 0.000 0.238 55 S C 2.061 176.570 174.600 -0.150 0.000 1.010 55 S CA 1.381 59.526 58.200 -0.092 0.000 0.972 55 S CB -0.321 62.781 63.200 -0.164 0.000 0.774 55 S HN 0.843 nan 8.310 nan 0.000 0.501 56 R N 0.418 120.727 120.500 -0.319 0.000 2.241 56 R HA -0.056 4.284 4.340 -0.000 0.000 0.224 56 R C 1.106 177.106 176.300 -0.501 0.000 1.101 56 R CA 1.277 57.093 56.100 -0.472 0.000 0.995 56 R CB -0.753 29.151 30.300 -0.661 0.000 0.870 56 R HN 0.542 nan 8.270 nan 0.000 0.463 57 Y N 1.231 121.492 120.300 -0.065 0.000 2.490 57 Y HA 0.208 4.758 4.550 -0.000 0.000 0.281 57 Y C 0.349 176.285 175.900 0.059 0.000 1.174 57 Y CA -0.403 57.649 58.100 -0.080 0.000 1.295 57 Y CB 0.247 38.467 38.460 -0.399 0.000 1.062 57 Y HN 0.142 nan 8.280 nan 0.000 0.522 58 E N 1.237 121.545 120.200 0.179 0.000 2.345 58 E HA 0.170 4.520 4.350 -0.000 0.000 0.259 58 E C -0.409 176.262 176.600 0.118 0.000 1.117 58 E CA -0.411 56.111 56.400 0.204 0.000 0.913 58 E CB 0.630 30.390 29.700 0.100 0.000 1.057 58 E HN 0.342 nan 8.360 nan 0.000 0.432 59 N N -1.973 116.797 118.700 0.117 0.000 3.038 59 N HA 0.145 4.885 4.740 -0.000 0.000 0.307 59 N C 0.014 175.568 175.510 0.074 0.000 1.441 59 N CA -0.680 52.418 53.050 0.081 0.000 0.772 59 N CB 0.546 39.085 38.487 0.086 0.000 1.651 59 N HN 0.162 nan 8.380 nan 0.000 0.593 60 S N -0.554 115.186 115.700 0.066 0.000 2.402 60 S HA -0.152 4.318 4.470 -0.000 0.000 0.233 60 S C 0.927 175.585 174.600 0.095 0.000 1.030 60 S CA 1.238 59.484 58.200 0.076 0.000 1.003 60 S CB -0.662 62.571 63.200 0.055 0.000 0.813 60 S HN 0.603 nan 8.310 nan 0.000 0.477 61 N N 2.170 120.919 118.700 0.081 0.000 2.422 61 N HA 0.010 4.750 4.740 -0.000 0.000 0.181 61 N C 0.462 176.014 175.510 0.070 0.000 1.080 61 N CA 0.526 53.623 53.050 0.079 0.000 0.893 61 N CB -0.128 38.398 38.487 0.064 0.000 0.973 61 N HN 0.663 nan 8.380 nan 0.000 0.456 62 N N 0.192 118.932 118.700 0.067 0.000 2.466 62 N HA 0.058 4.798 4.740 -0.000 0.000 0.272 62 N C -0.593 174.915 175.510 -0.003 0.000 1.455 62 N CA -0.199 52.872 53.050 0.035 0.000 0.875 62 N CB -0.515 38.012 38.487 0.066 0.000 1.372 62 N HN -0.024 nan 8.380 nan 0.000 0.492 63 L N 0.324 121.546 121.223 -0.001 0.000 2.514 63 L HA 0.307 4.647 4.340 -0.000 0.000 0.280 63 L C 1.575 178.384 176.870 -0.101 0.000 1.223 63 L CA 1.243 56.064 54.840 -0.033 0.000 0.864 63 L CB 0.191 42.254 42.059 0.006 0.000 1.118 63 L HN 0.505 nan 8.230 nan 0.000 0.494 64 G N 1.273 110.014 108.800 -0.099 0.000 2.199 64 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.254 64 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.254 64 G C 0.853 175.662 174.900 -0.152 0.000 0.982 64 G CA 0.486 45.529 45.100 -0.093 0.000 0.632 64 G HN 0.636 nan 8.290 nan 0.000 0.529 65 T N 1.533 115.952 114.554 -0.225 0.000 2.720 65 T HA -0.097 4.253 4.350 -0.000 0.000 0.268 65 T C 2.696 177.102 174.700 -0.489 0.000 1.037 65 T CA 2.587 64.478 62.100 -0.348 0.000 1.144 65 T CB -0.413 68.238 68.868 -0.362 0.000 0.864 65 T HN 1.232 nan 8.240 nan 0.000 0.444 66 S N 0.319 115.683 115.700 -0.561 0.000 2.515 66 S HA -0.071 4.399 4.470 -0.000 0.000 0.231 66 S C 1.696 176.205 174.600 -0.152 0.000 0.987 66 S CA 0.632 58.566 58.200 -0.443 0.000 0.936 66 S CB -0.611 62.399 63.200 -0.318 0.000 0.766 66 S HN 0.737 nan 8.310 nan 0.000 0.528 67 H N 0.351 119.275 119.070 -0.243 0.000 2.306 67 H HA 0.118 4.674 4.556 -0.000 0.000 0.307 67 H C 2.128 177.368 175.328 -0.147 0.000 1.061 67 H CA 0.972 56.911 56.048 -0.182 0.000 1.359 67 H CB -0.168 29.503 29.762 -0.151 0.000 1.407 67 H HN 0.335 nan 8.280 nan 0.000 0.517 68 L N 1.433 122.547 121.223 -0.181 0.000 2.081 68 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 68 L C 2.368 179.146 176.870 -0.154 0.000 1.080 68 L CA 1.229 55.929 54.840 -0.235 0.000 0.754 68 L CB -0.857 41.059 42.059 -0.238 0.000 0.893 68 L HN 0.411 nan 8.230 nan 0.000 0.433 69 L N -0.682 120.453 121.223 -0.147 0.000 2.017 69 L HA -0.251 4.089 4.340 -0.000 0.000 0.208 69 L C 2.792 179.694 176.870 0.053 0.000 1.073 69 L CA 1.803 56.612 54.840 -0.052 0.000 0.745 69 L CB -0.340 41.680 42.059 -0.066 0.000 0.894 69 L HN 0.376 nan 8.230 nan 0.000 0.432 70 R N 0.124 120.635 120.500 0.018 0.000 2.105 70 R HA -0.179 4.161 4.340 -0.000 0.000 0.239 70 R C 2.024 178.317 176.300 -0.011 0.000 1.135 70 R CA 1.458 57.554 56.100 -0.007 0.000 0.967 70 R CB -0.240 30.056 30.300 -0.008 0.000 0.861 70 R HN 0.418 nan 8.270 nan 0.000 0.442 71 L N 0.071 121.283 121.223 -0.018 0.000 2.554 71 L HA 0.142 4.482 4.340 -0.000 0.000 0.226 71 L C 1.594 178.458 176.870 -0.009 0.000 1.137 71 L CA 0.403 55.222 54.840 -0.035 0.000 0.863 71 L CB 0.032 42.028 42.059 -0.106 0.000 0.985 71 L HN 0.257 nan 8.230 nan 0.000 0.451 72 A N -0.432 122.408 122.820 0.034 0.000 2.460 72 A HA 0.080 4.400 4.320 -0.000 0.000 0.258 72 A C 2.048 179.699 177.584 0.111 0.000 1.300 72 A CA 0.476 52.561 52.037 0.081 0.000 0.913 72 A CB -0.220 18.869 19.000 0.148 0.000 1.031 72 A HN 0.367 nan 8.150 nan 0.000 0.512 73 S N 0.082 115.845 115.700 0.106 0.000 2.474 73 S HA -0.112 4.358 4.470 -0.000 0.000 0.235 73 S C 1.530 176.164 174.600 0.057 0.000 0.997 73 S CA 1.429 59.716 58.200 0.144 0.000 0.949 73 S CB -0.456 62.841 63.200 0.161 0.000 0.766 73 S HN 0.973 nan 8.310 nan 0.000 0.517 74 S N 0.591 116.298 115.700 0.012 0.000 2.602 74 S HA 0.438 4.908 4.470 -0.000 0.000 0.240 74 S C 0.333 174.916 174.600 -0.029 0.000 0.992 74 S CA -0.870 57.312 58.200 -0.031 0.000 0.971 74 S CB -0.481 62.681 63.200 -0.063 0.000 0.855 74 S HN 0.450 nan 8.310 nan 0.000 0.481 75 L N 2.428 123.639 121.223 -0.021 0.000 2.476 75 L HA 0.321 4.661 4.340 -0.000 0.000 0.255 75 L C 1.211 178.042 176.870 -0.065 0.000 1.218 75 L CA -0.474 54.346 54.840 -0.034 0.000 0.819 75 L CB 0.097 42.136 42.059 -0.034 0.000 1.119 75 L HN 0.359 nan 8.230 nan 0.000 0.485 76 T N -1.395 113.126 114.554 -0.056 0.000 2.930 76 T HA 0.270 4.620 4.350 -0.000 0.000 0.306 76 T C 0.080 174.714 174.700 -0.109 0.000 1.045 76 T CA -0.560 61.512 62.100 -0.047 0.000 1.134 76 T CB 0.731 69.604 68.868 0.008 0.000 0.961 76 T HN 0.797 nan 8.240 nan 0.000 0.545 77 T N 0.243 114.753 114.554 -0.073 0.000 2.926 77 T HA 0.556 4.906 4.350 -0.000 0.000 0.289 77 T C -0.462 174.207 174.700 -0.051 0.000 1.054 77 T CA -1.346 60.695 62.100 -0.100 0.000 1.015 77 T CB 1.016 69.837 68.868 -0.079 0.000 1.167 77 T HN 0.714 nan 8.240 nan 0.000 0.526 78 K N 0.537 120.903 120.400 -0.057 0.000 2.350 78 K HA 0.455 4.775 4.320 -0.000 0.000 0.279 78 K C 1.343 177.931 176.600 -0.021 0.000 1.027 78 K CA 0.547 56.817 56.287 -0.028 0.000 0.969 78 K CB 0.294 32.777 32.500 -0.028 0.000 0.954 78 K HN 1.075 nan 8.250 nan 0.000 0.474 79 G N 1.039 109.836 108.800 -0.005 0.000 2.225 79 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.254 79 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.254 79 G C -0.041 174.873 174.900 0.023 0.000 0.988 79 G CA -0.006 45.089 45.100 -0.008 0.000 0.625 79 G HN 0.935 nan 8.290 nan 0.000 0.527 80 A N -0.198 122.653 122.820 0.051 0.000 2.513 80 A HA 0.802 5.122 4.320 -0.000 0.000 0.285 80 A C 0.080 177.718 177.584 0.091 0.000 1.047 80 A CA 0.924 53.034 52.037 0.122 0.000 0.864 80 A CB 0.520 19.667 19.000 0.244 0.000 1.373 80 A HN 1.962 nan 8.150 nan 0.000 0.403 81 S N 1.583 117.347 115.700 0.107 0.000 2.600 81 S HA 0.406 4.875 4.470 -0.000 0.000 0.265 81 S C 1.450 176.101 174.600 0.084 0.000 1.325 81 S CA 0.481 58.741 58.200 0.099 0.000 1.002 81 S CB 1.400 64.683 63.200 0.138 0.000 0.921 81 S HN 1.525 nan 8.310 nan 0.000 0.554 82 S N 1.035 116.780 115.700 0.075 0.000 2.359 82 S HA -0.196 4.274 4.470 -0.000 0.000 0.223 82 S C 1.495 176.127 174.600 0.053 0.000 1.039 82 S CA 1.785 60.011 58.200 0.043 0.000 1.042 82 S CB -1.044 62.194 63.200 0.063 0.000 0.915 82 S HN 0.748 nan 8.310 nan 0.000 0.439 83 F N 2.226 122.168 119.950 -0.014 0.000 2.087 83 F HA -0.168 4.359 4.527 -0.000 0.000 0.299 83 F C 2.326 178.104 175.800 -0.037 0.000 1.100 83 F CA 2.439 60.428 58.000 -0.018 0.000 1.226 83 F CB -0.524 38.479 39.000 0.005 0.000 0.983 83 F HN 0.210 nan 8.300 nan 0.000 0.479 84 K N 0.396 120.822 120.400 0.043 0.000 2.057 84 K HA -0.174 4.146 4.320 -0.000 0.000 0.207 84 K C 2.161 178.601 176.600 -0.267 0.000 1.049 84 K CA 1.969 58.231 56.287 -0.041 0.000 0.931 84 K CB -0.351 32.252 32.500 0.173 0.000 0.714 84 K HN 0.407 nan 8.250 nan 0.000 0.440 85 I N 0.543 120.909 120.570 -0.341 0.000 2.179 85 I HA -0.290 3.880 4.170 -0.000 0.000 0.242 85 I C 2.176 177.910 176.117 -0.638 0.000 1.088 85 I CA 1.489 62.342 61.300 -0.745 0.000 1.357 85 I CB -0.383 37.372 38.000 -0.408 0.000 1.051 85 I HN 0.246 nan 8.210 nan 0.000 0.409 86 T N 0.319 114.638 114.554 -0.392 0.000 2.668 86 T HA -0.106 4.244 4.350 -0.000 0.000 0.262 86 T C 2.071 176.566 174.700 -0.343 0.000 1.045 86 T CA 0.993 62.902 62.100 -0.318 0.000 1.152 86 T CB -0.137 68.590 68.868 -0.235 0.000 0.864 86 T HN 0.151 nan 8.240 nan 0.000 0.419 87 R N 0.892 121.122 120.500 -0.449 0.000 2.096 87 R HA 0.049 4.389 4.340 -0.000 0.000 0.235 87 R C 2.764 178.919 176.300 -0.241 0.000 1.127 87 R CA 1.393 57.252 56.100 -0.403 0.000 0.968 87 R CB -1.409 28.500 30.300 -0.652 0.000 0.861 87 R HN 0.513 nan 8.270 nan 0.000 0.440 88 G N 0.926 109.590 108.800 -0.227 0.000 2.404 88 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.215 88 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.215 88 G C 1.649 176.548 174.900 -0.002 0.000 1.174 88 G CA 0.458 45.552 45.100 -0.009 0.000 0.780 88 G HN 0.229 nan 8.290 nan 0.000 0.537 89 I N 0.538 120.979 120.570 -0.215 0.000 2.202 89 I HA -0.120 4.050 4.170 -0.000 0.000 0.242 89 I C 2.731 178.804 176.117 -0.073 0.000 1.091 89 I CA 1.153 62.383 61.300 -0.116 0.000 1.368 89 I CB -0.230 37.634 38.000 -0.226 0.000 1.058 89 I HN 0.239 nan 8.210 nan 0.000 0.410 90 E N 0.915 121.047 120.200 -0.113 0.000 2.204 90 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 90 E C 2.286 178.856 176.600 -0.050 0.000 0.989 90 E CA 1.045 57.398 56.400 -0.079 0.000 0.824 90 E CB -0.148 29.494 29.700 -0.096 0.000 0.756 90 E HN 0.511 nan 8.360 nan 0.000 0.477 91 A N 1.200 123.994 122.820 -0.044 0.000 1.972 91 A HA -0.127 4.192 4.320 -0.000 0.000 0.219 91 A C 2.344 179.928 177.584 0.000 0.000 1.169 91 A CA 1.481 53.507 52.037 -0.018 0.000 0.635 91 A CB -0.349 18.646 19.000 -0.008 0.000 0.810 91 A HN 0.228 nan 8.150 nan 0.000 0.446 92 V N -4.289 115.631 119.914 0.011 0.000 3.621 92 V HA 0.542 4.662 4.120 -0.000 0.000 0.285 92 V C 1.265 177.365 176.094 0.009 0.000 1.346 92 V CA 0.412 62.723 62.300 0.017 0.000 1.104 92 V CB -0.848 30.996 31.823 0.035 0.000 0.913 92 V HN 1.402 nan 8.190 nan 0.000 0.432 93 G N -0.034 108.765 108.800 -0.002 0.000 2.176 93 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.252 93 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.252 93 G C 0.465 175.363 174.900 -0.003 0.000 1.024 93 G CA 0.263 45.359 45.100 -0.006 0.000 0.755 93 G HN 1.272 nan 8.290 nan 0.000 0.507 94 G N -1.058 107.741 108.800 -0.002 0.000 2.568 94 G HA2 0.703 4.663 3.960 -0.000 0.000 0.293 94 G HA3 0.703 4.663 3.960 -0.000 0.000 0.293 94 G C -0.122 174.772 174.900 -0.010 0.000 1.347 94 G CA -0.633 44.469 45.100 0.004 0.000 1.039 94 G HN 0.419 nan 8.290 nan 0.000 0.523 95 K N -1.234 119.164 120.400 -0.003 0.000 2.395 95 K HA 0.615 4.935 4.320 -0.000 0.000 0.247 95 K C -1.817 174.778 176.600 -0.009 0.000 0.973 95 K CA -0.777 55.503 56.287 -0.013 0.000 0.828 95 K CB 2.501 34.996 32.500 -0.007 0.000 1.272 95 K HN 0.241 nan 8.250 nan 0.000 0.439 96 L N 1.023 122.234 121.223 -0.020 0.000 2.491 96 L HA 0.403 4.743 4.340 -0.000 0.000 0.267 96 L C -1.643 175.213 176.870 -0.023 0.000 0.971 96 L CA -0.001 54.834 54.840 -0.008 0.000 0.857 96 L CB 1.646 43.693 42.059 -0.019 0.000 1.226 96 L HN 0.684 nan 8.230 nan 0.000 0.408 97 S N 3.440 119.120 115.700 -0.034 0.000 2.541 97 S HA 0.815 5.285 4.470 -0.000 0.000 0.280 97 S C -0.916 173.592 174.600 -0.154 0.000 1.112 97 S CA -0.759 57.396 58.200 -0.075 0.000 0.925 97 S CB 1.952 65.117 63.200 -0.059 0.000 1.067 97 S HN 0.873 nan 8.310 nan 0.000 0.479 98 V N 1.608 121.387 119.914 -0.224 0.000 2.409 98 V HA 0.847 4.967 4.120 -0.000 0.000 0.291 98 V C -0.380 175.552 176.094 -0.270 0.000 1.020 98 V CA 0.070 62.127 62.300 -0.405 0.000 0.848 98 V CB 1.177 32.549 31.823 -0.751 0.000 0.990 98 V HN 1.164 nan 8.190 nan 0.000 0.430 99 T N 4.300 118.697 114.554 -0.260 0.000 2.824 99 T HA 0.726 5.076 4.350 -0.000 0.000 0.282 99 T C -0.344 174.267 174.700 -0.149 0.000 0.993 99 T CA -0.282 61.720 62.100 -0.164 0.000 0.967 99 T CB 1.419 70.225 68.868 -0.103 0.000 0.960 99 T HN 0.875 nan 8.240 nan 0.000 0.441 100 S N 2.690 118.316 115.700 -0.124 0.000 2.568 100 S HA 0.866 5.336 4.470 -0.000 0.000 0.302 100 S C 0.005 174.553 174.600 -0.088 0.000 1.082 100 S CA -0.831 57.306 58.200 -0.104 0.000 1.009 100 S CB 1.886 65.006 63.200 -0.133 0.000 1.069 100 S HN 1.124 nan 8.310 nan 0.000 0.500 101 T N -1.204 113.318 114.554 -0.054 0.000 2.831 101 T HA 0.494 4.844 4.350 -0.000 0.000 0.287 101 T C 0.583 175.234 174.700 -0.082 0.000 1.070 101 T CA -1.031 61.043 62.100 -0.042 0.000 1.010 101 T CB 1.079 69.968 68.868 0.036 0.000 1.264 101 T HN 0.400 nan 8.240 nan 0.000 0.532 102 R N 0.170 120.596 120.500 -0.123 0.000 2.237 102 R HA 0.017 4.357 4.340 -0.000 0.000 0.219 102 R C 1.804 177.977 176.300 -0.212 0.000 1.080 102 R CA 1.375 57.327 56.100 -0.246 0.000 0.995 102 R CB -0.026 30.000 30.300 -0.456 0.000 0.875 102 R HN 0.697 nan 8.270 nan 0.000 0.462 103 E N -0.430 119.725 120.200 -0.074 0.000 2.290 103 E HA 0.074 4.424 4.350 -0.000 0.000 0.199 103 E C 0.085 176.767 176.600 0.137 0.000 0.912 103 E CA 0.298 56.705 56.400 0.011 0.000 0.924 103 E CB 0.392 30.133 29.700 0.068 0.000 0.901 103 E HN 0.361 nan 8.360 nan 0.000 0.487 104 N N 0.216 118.977 118.700 0.102 0.000 2.381 104 N HA 0.481 5.221 4.740 -0.000 0.000 0.294 104 N C -0.862 174.682 175.510 0.057 0.000 1.216 104 N CA -0.487 52.629 53.050 0.110 0.000 0.803 104 N CB 1.982 40.559 38.487 0.150 0.000 1.372 104 N HN -0.174 nan 8.380 nan 0.000 0.500 105 M N 1.218 120.833 119.600 0.025 0.000 2.395 105 M HA 0.587 5.067 4.480 -0.000 0.000 0.307 105 M C -1.406 174.833 176.300 -0.101 0.000 1.091 105 M CA -0.720 54.560 55.300 -0.034 0.000 0.919 105 M CB 2.217 34.845 32.600 0.046 0.000 1.662 105 M HN 0.616 nan 8.290 nan 0.000 0.440 106 A N 2.935 125.610 122.820 -0.243 0.000 2.357 106 A HA 0.710 5.030 4.320 -0.000 0.000 0.295 106 A C -1.906 175.441 177.584 -0.395 0.000 1.121 106 A CA -0.467 51.299 52.037 -0.452 0.000 0.742 106 A CB 0.638 19.211 19.000 -0.711 0.000 1.181 106 A HN 0.736 nan 8.150 nan 0.000 0.454 107 Y N 2.019 122.120 120.300 -0.333 0.000 2.404 107 Y HA 0.453 5.003 4.550 -0.000 0.000 0.344 107 Y C 1.077 176.854 175.900 -0.205 0.000 0.970 107 Y CA -0.061 57.929 58.100 -0.183 0.000 1.180 107 Y CB 1.482 39.893 38.460 -0.080 0.000 1.138 107 Y HN 0.668 nan 8.280 nan 0.000 0.510 108 T N 0.205 114.719 114.554 -0.065 0.000 2.855 108 T HA 0.764 5.114 4.350 -0.000 0.000 0.281 108 T C -0.870 173.837 174.700 0.011 0.000 1.007 108 T CA -0.906 61.169 62.100 -0.041 0.000 1.009 108 T CB 1.896 70.730 68.868 -0.058 0.000 0.983 108 T HN 0.350 nan 8.240 nan 0.000 0.455 109 V N 2.219 122.151 119.914 0.030 0.000 2.638 109 V HA 0.659 4.779 4.120 -0.000 0.000 0.306 109 V C -0.863 175.253 176.094 0.037 0.000 1.052 109 V CA -0.715 61.609 62.300 0.040 0.000 0.885 109 V CB 1.725 33.585 31.823 0.061 0.000 0.999 109 V HN 1.143 nan 8.190 nan 0.000 0.424 110 E N 6.034 126.253 120.200 0.030 0.000 2.293 110 E HA 0.825 5.174 4.350 -0.000 0.000 0.270 110 E C -1.039 175.577 176.600 0.027 0.000 0.879 110 E CA -0.530 55.887 56.400 0.028 0.000 0.756 110 E CB 2.278 31.993 29.700 0.024 0.000 1.208 110 E HN 0.982 nan 8.360 nan 0.000 0.428 111 C N 0.730 120.046 119.300 0.026 0.000 3.165 111 C HA 0.479 4.939 4.460 -0.000 0.000 0.345 111 C C -0.809 174.194 174.990 0.020 0.000 1.367 111 C CA -1.162 57.870 59.018 0.024 0.000 1.205 111 C CB -0.469 27.290 27.740 0.032 0.000 1.447 111 C HN 0.875 nan 8.230 nan 0.000 0.451 112 L N 1.826 123.060 121.223 0.018 0.000 2.464 112 L HA 0.374 4.714 4.340 -0.000 0.000 0.264 112 L C 2.020 178.900 176.870 0.016 0.000 1.199 112 L CA -0.333 54.516 54.840 0.016 0.000 0.818 112 L CB 0.205 42.272 42.059 0.014 0.000 1.102 112 L HN 0.819 nan 8.230 nan 0.000 0.473 113 R N 0.641 121.151 120.500 0.015 0.000 2.113 113 R HA -0.201 4.139 4.340 -0.000 0.000 0.244 113 R C 1.373 177.680 176.300 0.013 0.000 1.142 113 R CA 2.030 58.138 56.100 0.014 0.000 0.953 113 R CB -0.365 29.947 30.300 0.019 0.000 0.860 113 R HN 0.702 nan 8.270 nan 0.000 0.438 114 D N 0.314 120.722 120.400 0.013 0.000 2.265 114 D HA -0.121 4.519 4.640 -0.000 0.000 0.208 114 D C 0.761 177.065 176.300 0.007 0.000 0.977 114 D CA 1.136 55.143 54.000 0.010 0.000 0.871 114 D CB -0.185 40.621 40.800 0.011 0.000 0.925 114 D HN 0.333 nan 8.370 nan 0.000 0.485 115 D N -0.005 120.400 120.400 0.010 0.000 2.395 115 D HA -0.006 4.634 4.640 -0.000 0.000 0.213 115 D C 2.219 178.523 176.300 0.006 0.000 1.110 115 D CA 0.064 54.069 54.000 0.009 0.000 0.835 115 D CB 0.901 41.714 40.800 0.021 0.000 0.965 115 D HN 0.138 nan 8.370 nan 0.000 0.505 116 V N -0.133 119.784 119.914 0.004 0.000 2.278 116 V HA -0.320 3.800 4.120 -0.000 0.000 0.251 116 V C 1.785 177.867 176.094 -0.019 0.000 1.062 116 V CA 1.836 64.136 62.300 0.001 0.000 1.038 116 V CB -0.610 31.213 31.823 0.001 0.000 0.646 116 V HN -0.058 nan 8.190 nan 0.000 0.447 117 D N 0.334 120.715 120.400 -0.032 0.000 2.126 117 D HA -0.195 4.445 4.640 -0.000 0.000 0.190 117 D C 2.099 178.328 176.300 -0.119 0.000 1.001 117 D CA 2.301 56.264 54.000 -0.062 0.000 0.841 117 D CB -0.300 40.469 40.800 -0.052 0.000 0.949 117 D HN 0.582 nan 8.370 nan 0.000 0.446 118 I N 0.482 120.978 120.570 -0.124 0.000 2.315 118 I HA -0.196 3.974 4.170 -0.000 0.000 0.248 118 I C 2.278 178.249 176.117 -0.244 0.000 1.117 118 I CA 0.561 61.710 61.300 -0.252 0.000 1.404 118 I CB 0.137 38.010 38.000 -0.212 0.000 1.071 118 I HN -0.018 nan 8.210 nan 0.000 0.419 119 L N -0.507 120.711 121.223 -0.009 0.000 2.046 119 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 119 L C 2.577 179.476 176.870 0.048 0.000 1.077 119 L CA 1.370 56.285 54.840 0.124 0.000 0.747 119 L CB -0.606 41.516 42.059 0.105 0.000 0.896 119 L HN 0.380 nan 8.230 nan 0.000 0.432 120 M N 0.552 120.134 119.600 -0.031 0.000 2.080 120 M HA -0.266 4.214 4.480 -0.000 0.000 0.260 120 M C 2.112 178.337 176.300 -0.124 0.000 1.068 120 M CA 1.969 57.235 55.300 -0.057 0.000 1.109 120 M CB -0.399 32.161 32.600 -0.066 0.000 1.342 120 M HN 0.207 nan 8.290 nan 0.000 0.405 121 E N -0.877 119.189 120.200 -0.222 0.000 2.077 121 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 121 E C 1.891 178.353 176.600 -0.231 0.000 0.989 121 E CA 1.698 57.901 56.400 -0.328 0.000 0.800 121 E CB -0.427 29.011 29.700 -0.437 0.000 0.746 121 E HN 0.660 nan 8.360 nan 0.000 0.452 122 F N 0.748 120.635 119.950 -0.106 0.000 2.146 122 F HA -0.147 4.380 4.527 -0.000 0.000 0.298 122 F C 2.435 178.184 175.800 -0.085 0.000 1.096 122 F CA 0.425 58.373 58.000 -0.086 0.000 1.275 122 F CB -0.091 38.874 39.000 -0.058 0.000 1.008 122 F HN 0.124 nan 8.300 nan 0.000 0.480 123 L N 0.331 121.622 121.223 0.113 0.000 1.989 123 L HA -0.268 4.072 4.340 -0.000 0.000 0.211 123 L C 2.307 179.151 176.870 -0.043 0.000 1.071 123 L CA 1.758 56.619 54.840 0.036 0.000 0.749 123 L CB -0.555 41.517 42.059 0.021 0.000 0.890 123 L HN 0.226 nan 8.230 nan 0.000 0.431 124 L N -0.391 120.778 121.223 -0.089 0.000 2.083 124 L HA -0.265 4.075 4.340 -0.000 0.000 0.209 124 L C 2.396 179.194 176.870 -0.119 0.000 1.083 124 L CA 1.157 55.919 54.840 -0.130 0.000 0.752 124 L CB -0.733 41.171 42.059 -0.257 0.000 0.899 124 L HN 0.401 nan 8.230 nan 0.000 0.433 125 N N -0.189 118.447 118.700 -0.107 0.000 2.120 125 N HA -0.138 4.601 4.740 -0.000 0.000 0.188 125 N C 1.868 177.326 175.510 -0.087 0.000 1.024 125 N CA 1.305 54.306 53.050 -0.081 0.000 0.852 125 N CB -0.158 38.312 38.487 -0.029 0.000 1.003 125 N HN 0.132 nan 8.380 nan 0.000 0.424 126 V N 1.122 120.996 119.914 -0.066 0.000 2.427 126 V HA -0.168 3.952 4.120 -0.000 0.000 0.248 126 V C 2.404 178.393 176.094 -0.175 0.000 1.051 126 V CA 2.145 64.389 62.300 -0.092 0.000 1.048 126 V CB -0.843 30.974 31.823 -0.011 0.000 0.666 126 V HN 0.531 nan 8.190 nan 0.000 0.456 127 T N -3.088 111.348 114.554 -0.195 0.000 3.051 127 T HA -0.045 4.305 4.350 -0.000 0.000 0.255 127 T C 1.509 176.195 174.700 -0.024 0.000 1.085 127 T CA 1.207 63.214 62.100 -0.156 0.000 1.109 127 T CB 0.038 68.779 68.868 -0.212 0.000 0.921 127 T HN 0.583 nan 8.240 nan 0.000 0.488 128 T N -2.107 112.413 114.554 -0.056 0.000 2.986 128 T HA 0.620 4.970 4.350 -0.000 0.000 0.264 128 T C 1.007 175.679 174.700 -0.047 0.000 0.964 128 T CA 0.173 62.263 62.100 -0.017 0.000 0.895 128 T CB 0.237 69.120 68.868 0.024 0.000 1.163 128 T HN 0.407 nan 8.240 nan 0.000 0.517 129 A N 2.117 124.882 122.820 -0.092 0.000 2.959 129 A HA 0.678 4.998 4.320 -0.000 0.000 0.280 129 A C -3.071 174.404 177.584 -0.183 0.000 0.953 129 A CA -1.202 50.776 52.037 -0.098 0.000 1.047 129 A CB 0.281 19.241 19.000 -0.067 0.000 1.147 129 A HN 0.322 nan 8.150 nan 0.000 0.489 130 P HA 0.257 nan 4.420 nan 0.000 0.275 130 P C 0.342 177.303 177.300 -0.565 0.000 1.227 130 P CA 0.202 62.931 63.100 -0.618 0.000 0.781 130 P CB 1.040 32.038 31.700 -1.171 0.000 0.906 131 E N 1.312 121.221 120.200 -0.484 0.000 2.364 131 E HA 0.130 4.479 4.350 -0.000 0.000 0.196 131 E C -0.180 176.325 176.600 -0.159 0.000 0.990 131 E CA -0.078 56.203 56.400 -0.199 0.000 0.886 131 E CB -0.241 29.386 29.700 -0.121 0.000 0.866 131 E HN 0.409 nan 8.360 nan 0.000 0.493 132 F N 1.805 121.627 119.950 -0.213 0.000 2.829 132 F HA -0.271 4.256 4.527 -0.000 0.000 0.237 132 F C 0.051 175.689 175.800 -0.270 0.000 1.017 132 F CA -0.122 57.699 58.000 -0.298 0.000 0.882 132 F CB -1.412 37.269 39.000 -0.530 0.000 0.795 132 F HN -0.055 nan 8.300 nan 0.000 0.848 133 R N 1.026 121.380 120.500 -0.242 0.000 2.484 133 R HA 0.100 4.440 4.340 -0.000 0.000 0.293 133 R C 1.548 177.473 176.300 -0.625 0.000 1.023 133 R CA -0.309 55.438 56.100 -0.588 0.000 1.037 133 R CB 0.381 30.062 30.300 -1.032 0.000 0.951 133 R HN 0.424 nan 8.270 nan 0.000 0.418 134 R N 2.363 122.567 120.500 -0.492 0.000 2.191 134 R HA -0.274 4.066 4.340 -0.000 0.000 0.248 134 R C 1.811 178.034 176.300 -0.129 0.000 1.127 134 R CA 2.923 58.895 56.100 -0.214 0.000 0.943 134 R CB -0.267 30.011 30.300 -0.037 0.000 0.891 134 R HN 0.834 nan 8.270 nan 0.000 0.439 135 W N 0.068 121.385 121.300 0.028 0.000 2.388 135 W HA -0.010 4.650 4.660 -0.000 0.000 0.294 135 W C 1.406 177.934 176.519 0.016 0.000 1.212 135 W CA 0.791 58.146 57.345 0.017 0.000 1.271 135 W CB -0.508 28.960 29.460 0.013 0.000 1.126 135 W HN 0.093 nan 8.180 nan 0.000 0.535 136 E N 0.877 120.941 120.200 -0.226 0.000 2.150 136 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 136 E C 2.233 178.811 176.600 -0.038 0.000 0.985 136 E CA 1.544 57.916 56.400 -0.045 0.000 0.814 136 E CB -0.214 29.410 29.700 -0.126 0.000 0.752 136 E HN 0.218 nan 8.360 nan 0.000 0.466 137 V N 1.199 121.060 119.914 -0.088 0.000 2.453 137 V HA -0.186 3.933 4.120 -0.000 0.000 0.247 137 V C 2.279 178.348 176.094 -0.041 0.000 1.048 137 V CA 1.608 63.869 62.300 -0.064 0.000 1.049 137 V CB -0.455 31.312 31.823 -0.093 0.000 0.672 137 V HN 0.280 nan 8.190 nan 0.000 0.457 138 A N 0.195 123.010 122.820 -0.007 0.000 1.902 138 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 138 A C 2.379 179.975 177.584 0.020 0.000 1.181 138 A CA 1.977 54.023 52.037 0.015 0.000 0.623 138 A CB -0.679 18.354 19.000 0.054 0.000 0.818 138 A HN 0.558 nan 8.150 nan 0.000 0.443 139 A N -1.024 121.821 122.820 0.043 0.000 2.015 139 A HA 0.081 4.401 4.320 -0.000 0.000 0.219 139 A C 2.034 179.624 177.584 0.010 0.000 1.163 139 A CA 1.535 53.596 52.037 0.040 0.000 0.646 139 A CB -0.389 18.655 19.000 0.072 0.000 0.806 139 A HN 0.606 nan 8.150 nan 0.000 0.448 140 L N -0.594 120.624 121.223 -0.009 0.000 2.270 140 L HA -0.055 4.285 4.340 -0.000 0.000 0.210 140 L C 2.319 179.153 176.870 -0.060 0.000 1.104 140 L CA 1.300 56.121 54.840 -0.033 0.000 0.804 140 L CB -0.483 41.552 42.059 -0.040 0.000 0.937 140 L HN 0.373 nan 8.230 nan 0.000 0.450 141 Q N 0.477 120.239 119.800 -0.062 0.000 2.082 141 Q HA -0.231 4.109 4.340 -0.000 0.000 0.211 141 Q C -0.229 175.727 176.000 -0.074 0.000 1.002 141 Q CA 2.444 58.199 55.803 -0.080 0.000 0.868 141 Q CB -2.176 26.523 28.738 -0.065 0.000 0.931 141 Q HN 0.439 nan 8.270 nan 0.000 0.414 142 P HA -0.156 nan 4.420 nan 0.000 0.222 142 P C 1.233 178.505 177.300 -0.046 0.000 1.142 142 P CA 1.289 64.366 63.100 -0.038 0.000 0.788 142 P CB -0.089 31.598 31.700 -0.021 0.000 0.767 143 Q N -0.391 119.372 119.800 -0.060 0.000 2.224 143 Q HA -0.087 4.253 4.340 -0.000 0.000 0.203 143 Q C 1.877 177.824 176.000 -0.089 0.000 0.970 143 Q CA 1.218 56.983 55.803 -0.062 0.000 0.865 143 Q CB -1.140 27.560 28.738 -0.063 0.000 0.922 143 Q HN 0.190 nan 8.270 nan 0.000 0.445 144 L N -0.325 120.809 121.223 -0.148 0.000 2.042 144 L HA -0.216 4.123 4.340 -0.000 0.000 0.210 144 L C 2.637 179.485 176.870 -0.037 0.000 1.076 144 L CA 1.836 56.556 54.840 -0.200 0.000 0.749 144 L CB -0.418 41.507 42.059 -0.224 0.000 0.893 144 L HN 0.194 nan 8.230 nan 0.000 0.432 145 R N -0.014 120.465 120.500 -0.035 0.000 2.075 145 R HA -0.140 4.200 4.340 -0.000 0.000 0.232 145 R C 2.302 178.595 176.300 -0.011 0.000 1.126 145 R CA 1.147 57.238 56.100 -0.014 0.000 0.963 145 R CB 0.024 30.312 30.300 -0.019 0.000 0.858 145 R HN 0.184 nan 8.270 nan 0.000 0.435 146 I N 1.299 121.861 120.570 -0.013 0.000 2.142 146 I HA -0.254 3.916 4.170 -0.000 0.000 0.240 146 I C 1.991 178.109 176.117 0.001 0.000 1.078 146 I CA 1.578 62.872 61.300 -0.009 0.000 1.343 146 I CB -1.437 36.558 38.000 -0.009 0.000 1.046 146 I HN 0.218 nan 8.210 nan 0.000 0.405 147 D N 0.846 121.263 120.400 0.027 0.000 2.106 147 D HA -0.256 4.384 4.640 -0.000 0.000 0.191 147 D C 2.312 178.650 176.300 0.065 0.000 0.997 147 D CA 1.657 55.711 54.000 0.091 0.000 0.834 147 D CB 0.011 40.922 40.800 0.185 0.000 0.956 147 D HN 0.185 nan 8.370 nan 0.000 0.448 148 K N -0.396 120.049 120.400 0.075 0.000 2.057 148 K HA -0.126 4.194 4.320 -0.000 0.000 0.207 148 K C 2.029 178.502 176.600 -0.213 0.000 1.049 148 K CA 1.171 57.384 56.287 -0.123 0.000 0.931 148 K CB -0.190 32.303 32.500 -0.011 0.000 0.714 148 K HN 0.158 nan 8.250 nan 0.000 0.440 149 A N 0.587 123.346 122.820 -0.102 0.000 1.902 149 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 149 A C 2.216 179.745 177.584 -0.091 0.000 1.181 149 A CA 1.621 53.607 52.037 -0.086 0.000 0.623 149 A CB -0.598 18.379 19.000 -0.039 0.000 0.818 149 A HN 0.177 nan 8.150 nan 0.000 0.443 150 V N -0.282 119.587 119.914 -0.076 0.000 2.358 150 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 150 V C 3.040 179.077 176.094 -0.096 0.000 1.047 150 V CA 1.886 64.151 62.300 -0.058 0.000 1.035 150 V CB -1.148 30.661 31.823 -0.024 0.000 0.658 150 V HN 0.621 nan 8.190 nan 0.000 0.452 151 A N -0.273 122.436 122.820 -0.185 0.000 1.873 151 A HA -0.127 4.193 4.320 -0.000 0.000 0.215 151 A C 1.917 179.348 177.584 -0.255 0.000 1.186 151 A CA 1.498 53.381 52.037 -0.257 0.000 0.616 151 A CB -0.556 18.087 19.000 -0.595 0.000 0.823 151 A HN 0.425 nan 8.150 nan 0.000 0.442 152 L N 0.874 121.901 121.223 -0.327 0.000 2.633 152 L HA -0.121 4.219 4.340 -0.000 0.000 0.235 152 L C 2.425 179.284 176.870 -0.018 0.000 1.163 152 L CA 1.434 56.109 54.840 -0.275 0.000 0.859 152 L CB -0.691 41.090 42.059 -0.464 0.000 0.973 152 L HN 0.678 nan 8.230 nan 0.000 0.451 153 Q N -1.554 118.231 119.800 -0.026 0.000 2.451 153 Q HA 0.027 4.367 4.340 -0.000 0.000 0.206 153 Q C -0.099 175.914 176.000 0.022 0.000 0.947 153 Q CA 0.263 56.077 55.803 0.018 0.000 0.937 153 Q CB -0.194 28.546 28.738 0.003 0.000 1.025 153 Q HN 0.470 nan 8.270 nan 0.000 0.511 154 N N 2.692 121.401 118.700 0.016 0.000 2.414 154 N HA 0.134 4.874 4.740 -0.000 0.000 0.256 154 N C -2.156 173.369 175.510 0.025 0.000 1.029 154 N CA -1.428 51.632 53.050 0.017 0.000 0.948 154 N CB 1.555 40.053 38.487 0.020 0.000 1.102 154 N HN -0.052 nan 8.380 nan 0.000 0.496 155 P HA -0.169 nan 4.420 nan 0.000 0.217 155 P C 1.045 178.276 177.300 -0.114 0.000 1.148 155 P CA 1.425 64.379 63.100 -0.245 0.000 0.828 155 P CB 0.445 31.660 31.700 -0.809 0.000 0.783 156 Q N -0.418 119.376 119.800 -0.012 0.000 2.096 156 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 156 Q C 2.304 178.399 176.000 0.157 0.000 0.982 156 Q CA 2.088 57.985 55.803 0.156 0.000 0.850 156 Q CB -1.255 27.529 28.738 0.076 0.000 0.901 156 Q HN 0.217 nan 8.270 nan 0.000 0.422 157 A N 0.425 123.308 122.820 0.106 0.000 1.902 157 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 157 A C 1.787 179.424 177.584 0.087 0.000 1.181 157 A CA 1.539 53.626 52.037 0.083 0.000 0.623 157 A CB -0.757 18.231 19.000 -0.019 0.000 0.818 157 A HN 0.451 nan 8.150 nan 0.000 0.443 158 H N -0.763 118.308 119.070 0.002 0.000 2.293 158 H HA -0.109 4.447 4.556 -0.000 0.000 0.300 158 H C 2.333 177.682 175.328 0.036 0.000 1.082 158 H CA 1.718 57.769 56.048 0.004 0.000 1.308 158 H CB -0.394 29.349 29.762 -0.032 0.000 1.375 158 H HN 0.301 nan 8.280 nan 0.000 0.495 159 V N 1.551 121.583 119.914 0.196 0.000 2.252 159 V HA -0.274 3.846 4.120 -0.000 0.000 0.249 159 V C 2.674 178.843 176.094 0.124 0.000 1.056 159 V CA 1.920 64.296 62.300 0.126 0.000 1.022 159 V CB -0.564 31.352 31.823 0.156 0.000 0.641 159 V HN 0.311 nan 8.190 nan 0.000 0.445 160 I N -0.524 120.159 120.570 0.189 0.000 2.394 160 I HA -0.151 4.019 4.170 -0.000 0.000 0.251 160 I C 2.589 178.887 176.117 0.302 0.000 1.136 160 I CA 1.058 62.490 61.300 0.220 0.000 1.425 160 I CB -0.359 37.819 38.000 0.298 0.000 1.079 160 I HN 0.345 nan 8.210 nan 0.000 0.425 161 E N 0.774 121.106 120.200 0.221 0.000 2.106 161 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 161 E C 1.683 178.381 176.600 0.163 0.000 0.984 161 E CA 1.198 57.712 56.400 0.191 0.000 0.806 161 E CB -0.438 29.338 29.700 0.126 0.000 0.750 161 E HN 0.629 nan 8.360 nan 0.000 0.458 162 N N 0.632 119.403 118.700 0.118 0.000 2.354 162 N HA -0.025 4.715 4.740 -0.000 0.000 0.179 162 N C 1.929 177.465 175.510 0.043 0.000 1.021 162 N CA 0.013 53.108 53.050 0.075 0.000 0.887 162 N CB 0.146 38.662 38.487 0.048 0.000 0.974 162 N HN 0.038 nan 8.380 nan 0.000 0.437 163 L N 0.511 121.748 121.223 0.023 0.000 2.056 163 L HA -0.186 4.154 4.340 -0.000 0.000 0.207 163 L C 1.638 178.464 176.870 -0.073 0.000 1.078 163 L CA 1.826 56.611 54.840 -0.091 0.000 0.749 163 L CB -0.305 41.637 42.059 -0.195 0.000 0.901 163 L HN 0.297 nan 8.230 nan 0.000 0.433 164 H N -0.724 118.407 119.070 0.102 0.000 2.333 164 H HA -0.036 4.520 4.556 -0.000 0.000 0.302 164 H C 2.278 177.701 175.328 0.158 0.000 1.075 164 H CA 1.463 57.625 56.048 0.190 0.000 1.348 164 H CB -0.072 29.789 29.762 0.166 0.000 1.393 164 H HN 0.449 nan 8.280 nan 0.000 0.509 165 A N 0.927 123.871 122.820 0.207 0.000 1.917 165 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 165 A C 2.480 180.114 177.584 0.084 0.000 1.182 165 A CA 1.914 54.027 52.037 0.128 0.000 0.633 165 A CB -1.125 17.930 19.000 0.092 0.000 0.819 165 A HN 0.498 nan 8.150 nan 0.000 0.448 166 A N -0.634 122.203 122.820 0.027 0.000 1.929 166 A HA 0.281 4.601 4.320 -0.000 0.000 0.216 166 A C 2.458 179.952 177.584 -0.150 0.000 1.176 166 A CA 1.811 53.821 52.037 -0.045 0.000 0.628 166 A CB -0.832 18.115 19.000 -0.088 0.000 0.816 166 A HN 1.030 nan 8.150 nan 0.000 0.444 167 A N -1.824 120.865 122.820 -0.218 0.000 1.929 167 A HA 0.276 4.596 4.320 -0.000 0.000 0.216 167 A C 0.712 177.851 177.584 -0.742 0.000 1.176 167 A CA 0.611 52.289 52.037 -0.599 0.000 0.628 167 A CB -0.272 18.376 19.000 -0.587 0.000 0.816 167 A HN 0.487 nan 8.150 nan 0.000 0.444 168 Y N -1.185 119.060 120.300 -0.091 0.000 2.509 168 Y HA 0.479 5.029 4.550 -0.000 0.000 0.341 168 Y C 1.193 177.091 175.900 -0.003 0.000 1.038 168 Y CA -1.038 57.046 58.100 -0.027 0.000 1.089 168 Y CB 1.373 39.846 38.460 0.021 0.000 1.241 168 Y HN 0.192 nan 8.280 nan 0.000 0.468 169 R N 0.071 120.657 120.500 0.145 0.000 2.427 169 R HA 0.270 4.610 4.340 -0.000 0.000 0.262 169 R C -0.431 175.887 176.300 0.030 0.000 0.943 169 R CA 0.189 56.292 56.100 0.006 0.000 1.081 169 R CB 0.160 30.368 30.300 -0.153 0.000 1.166 169 R HN 0.598 nan 8.270 nan 0.000 0.534 170 N N 0.498 119.244 118.700 0.077 0.000 2.683 170 N HA 0.239 4.979 4.740 -0.000 0.000 0.135 170 N C 0.630 176.124 175.510 -0.027 0.000 1.546 170 N CA 0.555 53.619 53.050 0.024 0.000 1.140 170 N CB 0.579 39.087 38.487 0.034 0.000 1.077 170 N HN 0.092 nan 8.380 nan 0.000 0.390 171 A N 0.869 123.629 122.820 -0.101 0.000 1.944 171 A HA 0.323 4.642 4.320 -0.000 0.000 0.207 171 A C 2.056 179.470 177.584 -0.285 0.000 1.265 171 A CA 0.249 52.174 52.037 -0.186 0.000 0.712 171 A CB -0.600 18.260 19.000 -0.234 0.000 0.915 171 A HN 0.325 nan 8.150 nan 0.000 0.470 172 L N 0.046 121.010 121.223 -0.431 0.000 2.456 172 L HA -0.078 4.262 4.340 -0.000 0.000 0.224 172 L C 2.699 179.414 176.870 -0.258 0.000 1.148 172 L CA 0.618 55.102 54.840 -0.593 0.000 0.825 172 L CB -0.229 41.122 42.059 -1.179 0.000 0.937 172 L HN 0.456 nan 8.230 nan 0.000 0.450 173 A N -0.352 122.427 122.820 -0.069 0.000 2.066 173 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 173 A C 0.942 178.539 177.584 0.021 0.000 1.157 173 A CA 0.298 52.388 52.037 0.089 0.000 0.670 173 A CB -0.614 18.455 19.000 0.115 0.000 0.804 173 A HN 0.462 nan 8.150 nan 0.000 0.453 174 N N 0.120 118.784 118.700 -0.061 0.000 2.416 174 N HA 0.214 4.954 4.740 -0.000 0.000 0.246 174 N C 0.004 175.465 175.510 -0.081 0.000 1.260 174 N CA 0.088 53.101 53.050 -0.062 0.000 0.897 174 N CB 0.364 38.794 38.487 -0.094 0.000 1.110 174 N HN 0.239 nan 8.380 nan 0.000 0.439 175 S N 0.800 116.466 115.700 -0.056 0.000 2.646 175 S HA 0.224 4.694 4.470 -0.000 0.000 0.276 175 S C 0.852 175.352 174.600 -0.167 0.000 1.222 175 S CA -0.719 57.442 58.200 -0.066 0.000 1.014 175 S CB 0.779 63.981 63.200 0.004 0.000 0.991 175 S HN 0.389 nan 8.310 nan 0.000 0.533 176 L N 3.104 124.174 121.223 -0.254 0.000 2.478 176 L HA 0.331 4.671 4.340 -0.000 0.000 0.223 176 L C -0.702 175.642 176.870 -0.877 0.000 1.140 176 L CA 1.014 55.536 54.840 -0.530 0.000 0.842 176 L CB -0.922 40.738 42.059 -0.665 0.000 0.953 176 L HN 0.616 nan 8.230 nan 0.000 0.452 177 Y N -2.644 117.480 120.300 -0.292 0.000 2.446 177 Y HA 0.309 4.859 4.550 -0.000 0.000 0.345 177 Y C 0.428 176.268 175.900 -0.099 0.000 0.984 177 Y CA -1.149 56.726 58.100 -0.374 0.000 1.058 177 Y CB 1.120 39.417 38.460 -0.271 0.000 1.220 177 Y HN -0.285 nan 8.280 nan 0.000 0.455 178 C N 6.071 125.543 119.300 0.287 0.000 2.590 178 C HA 0.160 4.620 4.460 -0.000 0.000 0.411 178 C C -2.080 172.940 174.990 0.050 0.000 1.420 178 C CA -1.382 57.720 59.018 0.140 0.000 1.643 178 C CB -0.772 27.050 27.740 0.136 0.000 2.528 178 C HN 0.495 nan 8.230 nan 0.000 0.606 179 P HA 0.078 nan 4.420 nan 0.000 0.266 179 P C 0.442 177.695 177.300 -0.078 0.000 1.195 179 P CA 0.413 63.505 63.100 -0.013 0.000 0.768 179 P CB 0.521 32.224 31.700 0.005 0.000 0.838 180 D N 1.704 122.120 120.400 0.027 0.000 2.116 180 D HA -0.227 4.413 4.640 -0.000 0.000 0.193 180 D C 1.690 177.994 176.300 0.006 0.000 0.998 180 D CA 1.825 55.840 54.000 0.024 0.000 0.836 180 D CB -0.996 39.842 40.800 0.064 0.000 0.951 180 D HN 0.623 nan 8.370 nan 0.000 0.449 181 Y N 0.213 120.519 120.300 0.009 0.000 2.384 181 Y HA -0.027 4.523 4.550 -0.000 0.000 0.289 181 Y C 1.725 177.626 175.900 0.001 0.000 1.152 181 Y CA 0.924 59.028 58.100 0.005 0.000 1.258 181 Y CB -0.132 38.332 38.460 0.006 0.000 0.979 181 Y HN -0.190 nan 8.280 nan 0.000 0.549 182 R N 1.040 121.083 120.500 -0.761 0.000 2.276 182 R HA 0.239 4.579 4.340 -0.000 0.000 0.196 182 R C 0.312 176.463 176.300 -0.248 0.000 0.961 182 R CA 0.013 55.781 56.100 -0.553 0.000 1.024 182 R CB -0.168 29.772 30.300 -0.600 0.000 0.940 182 R HN 0.388 nan 8.270 nan 0.000 0.480 183 I N 1.238 121.704 120.570 -0.173 0.000 2.662 183 I HA -0.096 4.074 4.170 -0.000 0.000 0.285 183 I C 1.285 177.352 176.117 -0.083 0.000 1.161 183 I CA 1.134 62.368 61.300 -0.110 0.000 1.415 183 I CB 0.422 38.380 38.000 -0.070 0.000 1.385 183 I HN 0.442 nan 8.210 nan 0.000 0.552 184 G N 5.219 113.968 108.800 -0.084 0.000 2.217 184 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.246 184 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.246 184 G C 0.941 175.807 174.900 -0.057 0.000 0.990 184 G CA 0.084 45.150 45.100 -0.058 0.000 0.627 184 G HN 0.629 nan 8.290 nan 0.000 0.522 185 K N -0.018 120.335 120.400 -0.078 0.000 2.354 185 K HA 0.425 4.745 4.320 -0.000 0.000 0.194 185 K C 1.189 177.741 176.600 -0.081 0.000 1.038 185 K CA 0.550 56.798 56.287 -0.065 0.000 1.052 185 K CB 1.317 33.788 32.500 -0.049 0.000 0.861 185 K HN 0.596 nan 8.250 nan 0.000 0.535 186 V N 2.446 122.292 119.914 -0.113 0.000 2.572 186 V HA 0.098 4.218 4.120 -0.000 0.000 0.291 186 V C -0.023 175.999 176.094 -0.120 0.000 1.039 186 V CA -0.129 62.095 62.300 -0.127 0.000 1.055 186 V CB 0.765 32.488 31.823 -0.166 0.000 0.969 186 V HN 0.307 nan 8.190 nan 0.000 0.482 187 T N 4.779 119.267 114.554 -0.109 0.000 2.943 187 T HA 0.574 4.924 4.350 -0.000 0.000 0.284 187 T C -1.527 173.088 174.700 -0.141 0.000 1.015 187 T CA -1.583 60.461 62.100 -0.094 0.000 1.042 187 T CB 1.496 70.337 68.868 -0.047 0.000 1.055 187 T HN 0.557 nan 8.240 nan 0.000 0.500 188 P HA -0.161 nan 4.420 nan 0.000 0.216 188 P C 1.801 179.081 177.300 -0.032 0.000 1.150 188 P CA 0.934 63.959 63.100 -0.126 0.000 0.843 188 P CB -0.222 31.473 31.700 -0.009 0.000 0.787 189 V N 0.523 120.464 119.914 0.046 0.000 2.407 189 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 189 V C 2.192 178.307 176.094 0.035 0.000 1.055 189 V CA 2.041 64.398 62.300 0.097 0.000 1.049 189 V CB -1.194 30.662 31.823 0.055 0.000 0.662 189 V HN 0.022 nan 8.190 nan 0.000 0.455 190 E N 0.001 120.177 120.200 -0.040 0.000 2.110 190 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 190 E C 2.189 178.722 176.600 -0.111 0.000 0.988 190 E CA 1.734 58.106 56.400 -0.046 0.000 0.804 190 E CB -0.227 29.435 29.700 -0.064 0.000 0.745 190 E HN 0.644 nan 8.360 nan 0.000 0.458 191 L N 0.321 121.340 121.223 -0.340 0.000 2.027 191 L HA -0.182 4.158 4.340 -0.000 0.000 0.206 191 L C 2.537 179.150 176.870 -0.430 0.000 1.074 191 L CA 0.982 55.417 54.840 -0.674 0.000 0.745 191 L CB -0.566 40.536 42.059 -1.596 0.000 0.898 191 L HN 0.240 nan 8.230 nan 0.000 0.433 192 H N 0.243 119.204 119.070 -0.181 0.000 2.289 192 H HA -0.191 4.365 4.556 -0.000 0.000 0.296 192 H C 1.928 177.275 175.328 0.031 0.000 1.091 192 H CA 1.871 57.966 56.048 0.078 0.000 1.274 192 H CB -0.246 29.570 29.762 0.090 0.000 1.364 192 H HN 0.352 nan 8.280 nan 0.000 0.490 193 D N -0.068 120.414 120.400 0.137 0.000 2.149 193 D HA -0.164 4.476 4.640 -0.000 0.000 0.198 193 D C 2.106 178.452 176.300 0.078 0.000 0.990 193 D CA 0.815 54.863 54.000 0.081 0.000 0.839 193 D CB -0.632 40.208 40.800 0.067 0.000 0.948 193 D HN 0.388 nan 8.370 nan 0.000 0.460 194 Y N 0.857 121.161 120.300 0.006 0.000 2.293 194 Y HA -0.166 4.384 4.550 -0.000 0.000 0.291 194 Y C 2.220 178.200 175.900 0.134 0.000 1.137 194 Y CA 0.870 59.050 58.100 0.133 0.000 1.202 194 Y CB 0.127 38.645 38.460 0.097 0.000 0.990 194 Y HN -0.202 nan 8.280 nan 0.000 0.537 195 V N -0.156 119.798 119.914 0.066 0.000 2.407 195 V HA -0.277 3.843 4.120 -0.000 0.000 0.245 195 V C 1.996 178.072 176.094 -0.031 0.000 1.041 195 V CA 2.016 64.191 62.300 -0.209 0.000 1.040 195 V CB -0.557 31.098 31.823 -0.280 0.000 0.671 195 V HN 0.373 nan 8.190 nan 0.000 0.455 196 Q N 0.778 120.578 119.800 -0.001 0.000 2.167 196 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 196 Q C 1.928 177.884 176.000 -0.073 0.000 0.970 196 Q CA 1.735 57.532 55.803 -0.009 0.000 0.855 196 Q CB -0.228 28.511 28.738 0.001 0.000 0.911 196 Q HN 0.901 nan 8.270 nan 0.000 0.438 197 N N -1.561 117.021 118.700 -0.196 0.000 2.353 197 N HA -0.063 4.677 4.740 -0.000 0.000 0.185 197 N C 0.609 175.792 175.510 -0.544 0.000 1.098 197 N CA 0.310 53.139 53.050 -0.369 0.000 0.872 197 N CB 0.200 38.458 38.487 -0.382 0.000 0.970 197 N HN 0.336 nan 8.380 nan 0.000 0.467 198 H N -1.009 118.024 119.070 -0.062 0.000 2.927 198 H HA 0.252 4.808 4.556 -0.000 0.000 0.255 198 H C -0.306 175.082 175.328 0.100 0.000 0.974 198 H CA -0.243 55.758 56.048 -0.079 0.000 1.199 198 H CB 0.300 29.923 29.762 -0.231 0.000 1.447 198 H HN 0.063 nan 8.280 nan 0.000 0.467 199 F N 3.242 123.199 119.950 0.012 0.000 2.669 199 F HA 0.204 4.731 4.527 -0.000 0.000 0.353 199 F C 0.720 176.512 175.800 -0.013 0.000 1.192 199 F CA -0.589 57.421 58.000 0.017 0.000 1.317 199 F CB -0.732 38.286 39.000 0.030 0.000 1.652 199 F HN 0.003 nan 8.300 nan 0.000 0.608 200 T N -4.186 110.418 114.554 0.083 0.000 2.942 200 T HA 0.343 4.693 4.350 -0.000 0.000 0.289 200 T C 1.342 176.048 174.700 0.009 0.000 1.044 200 T CA -0.600 61.522 62.100 0.036 0.000 1.023 200 T CB 1.706 70.576 68.868 0.003 0.000 1.123 200 T HN 0.030 nan 8.240 nan 0.000 0.512 201 S N 1.097 116.801 115.700 0.007 0.000 2.378 201 S HA -0.190 4.280 4.470 -0.000 0.000 0.229 201 S C 2.342 176.937 174.600 -0.008 0.000 1.052 201 S CA 1.691 59.890 58.200 -0.002 0.000 1.084 201 S CB -1.035 62.162 63.200 -0.005 0.000 0.950 201 S HN 1.000 nan 8.310 nan 0.000 0.440 202 A N 0.831 123.645 122.820 -0.009 0.000 2.216 202 A HA 0.016 4.336 4.320 -0.000 0.000 0.214 202 A C 1.738 179.316 177.584 -0.011 0.000 1.160 202 A CA 0.671 52.704 52.037 -0.007 0.000 0.725 202 A CB -0.208 18.788 19.000 -0.007 0.000 0.784 202 A HN 0.495 nan 8.150 nan 0.000 0.472 203 R N -1.636 118.850 120.500 -0.023 0.000 2.577 203 R HA 0.464 4.804 4.340 -0.000 0.000 0.344 203 R C -0.451 175.829 176.300 -0.034 0.000 1.037 203 R CA -0.042 56.036 56.100 -0.038 0.000 1.102 203 R CB 0.348 30.602 30.300 -0.077 0.000 1.313 203 R HN 0.401 nan 8.270 nan 0.000 0.561 204 M N 0.140 119.729 119.600 -0.017 0.000 2.644 204 M HA 0.630 5.110 4.480 -0.000 0.000 0.304 204 M C -1.336 174.972 176.300 0.012 0.000 1.215 204 M CA -0.868 54.427 55.300 -0.009 0.000 0.871 204 M CB 2.721 35.307 32.600 -0.024 0.000 1.740 204 M HN 0.021 nan 8.290 nan 0.000 0.464 205 A N 2.197 125.047 122.820 0.050 0.000 2.437 205 A HA 0.743 5.063 4.320 -0.000 0.000 0.293 205 A C -2.033 175.607 177.584 0.092 0.000 1.038 205 A CA -0.544 51.516 52.037 0.038 0.000 0.708 205 A CB 1.321 20.340 19.000 0.030 0.000 1.251 205 A HN 0.694 nan 8.150 nan 0.000 0.409 206 L N 4.573 125.807 121.223 0.019 0.000 2.276 206 L HA 0.618 4.958 4.340 -0.000 0.000 0.286 206 L C -1.023 175.860 176.870 0.021 0.000 1.024 206 L CA -0.368 54.497 54.840 0.041 0.000 0.826 206 L CB 0.661 42.715 42.059 -0.008 0.000 1.211 206 L HN 0.554 nan 8.230 nan 0.000 0.422 207 I N 4.129 124.764 120.570 0.108 0.000 2.493 207 I HA 0.700 4.870 4.170 -0.000 0.000 0.298 207 I C 0.599 176.768 176.117 0.087 0.000 0.998 207 I CA -0.508 60.835 61.300 0.073 0.000 1.137 207 I CB 1.297 39.354 38.000 0.094 0.000 1.310 207 I HN 0.665 nan 8.210 nan 0.000 0.445 208 G N 5.095 113.928 108.800 0.056 0.000 2.620 208 G HA2 0.698 4.658 3.960 -0.000 0.000 0.301 208 G HA3 0.698 4.658 3.960 -0.000 0.000 0.301 208 G C -1.982 172.961 174.900 0.071 0.000 1.347 208 G CA -0.400 44.734 45.100 0.056 0.000 0.971 208 G HN 0.368 nan 8.290 nan 0.000 0.488 209 L N 1.263 122.524 121.223 0.063 0.000 2.441 209 L HA 0.648 4.988 4.340 -0.000 0.000 0.270 209 L C 0.772 177.648 176.870 0.009 0.000 0.973 209 L CA 0.861 55.733 54.840 0.054 0.000 0.842 209 L CB 1.853 43.969 42.059 0.094 0.000 1.239 209 L HN 1.441 nan 8.230 nan 0.000 0.406 210 G N 2.841 111.620 108.800 -0.035 0.000 2.132 210 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.234 210 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.234 210 G C -0.165 174.711 174.900 -0.041 0.000 0.989 210 G CA 0.202 45.268 45.100 -0.057 0.000 0.676 210 G HN 1.001 nan 8.290 nan 0.000 0.522 211 V N -2.539 117.357 119.914 -0.030 0.000 3.181 211 V HA 0.999 5.119 4.120 -0.000 0.000 0.314 211 V C 0.393 176.477 176.094 -0.017 0.000 1.173 211 V CA -0.141 62.149 62.300 -0.018 0.000 1.052 211 V CB 1.637 33.456 31.823 -0.007 0.000 1.123 211 V HN 1.491 nan 8.190 nan 0.000 0.454 212 S N -1.986 113.713 115.700 -0.001 0.000 2.537 212 S HA 0.486 4.956 4.470 -0.000 0.000 0.301 212 S C 0.595 175.220 174.600 0.041 0.000 1.092 212 S CA -0.058 58.157 58.200 0.025 0.000 1.048 212 S CB 1.246 64.463 63.200 0.029 0.000 1.053 212 S HN 0.947 nan 8.310 nan 0.000 0.501 213 H N 2.631 121.694 119.070 -0.012 0.000 2.319 213 H HA 0.029 4.585 4.556 -0.000 0.000 0.297 213 H C -1.239 174.085 175.328 -0.008 0.000 1.097 213 H CA 2.878 58.919 56.048 -0.011 0.000 1.285 213 H CB -1.102 28.656 29.762 -0.006 0.000 1.368 213 H HN 0.536 nan 8.280 nan 0.000 0.495 214 P HA -0.176 nan 4.420 nan 0.000 0.215 214 P C 1.749 179.034 177.300 -0.025 0.000 1.157 214 P CA 1.331 64.445 63.100 0.023 0.000 0.874 214 P CB 0.006 31.731 31.700 0.040 0.000 0.790 215 V N -0.501 119.401 119.914 -0.019 0.000 2.295 215 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 215 V C 2.502 178.569 176.094 -0.046 0.000 1.049 215 V CA 1.648 63.936 62.300 -0.020 0.000 1.024 215 V CB -1.176 30.643 31.823 -0.007 0.000 0.648 215 V HN 0.082 nan 8.190 nan 0.000 0.447 216 L N -0.480 120.684 121.223 -0.097 0.000 2.017 216 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 216 L C 2.611 179.391 176.870 -0.149 0.000 1.073 216 L CA 2.013 56.776 54.840 -0.127 0.000 0.745 216 L CB -0.557 41.385 42.059 -0.194 0.000 0.894 216 L HN 0.328 nan 8.230 nan 0.000 0.432 217 K N -0.298 119.969 120.400 -0.221 0.000 2.097 217 K HA -0.274 4.046 4.320 -0.000 0.000 0.206 217 K C 2.143 178.693 176.600 -0.084 0.000 1.049 217 K CA 1.509 57.695 56.287 -0.168 0.000 0.933 217 K CB 0.079 32.490 32.500 -0.147 0.000 0.717 217 K HN 0.104 nan 8.250 nan 0.000 0.442 218 Q N 0.304 120.068 119.800 -0.059 0.000 2.046 218 Q HA -0.112 4.228 4.340 -0.000 0.000 0.200 218 Q C 1.832 177.814 176.000 -0.028 0.000 0.975 218 Q CA 1.686 57.465 55.803 -0.041 0.000 0.836 218 Q CB -0.170 28.557 28.738 -0.018 0.000 0.896 218 Q HN 0.128 nan 8.270 nan 0.000 0.428 219 V N 0.683 120.613 119.914 0.027 0.000 2.332 219 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 219 V C 2.225 178.383 176.094 0.106 0.000 1.055 219 V CA 1.884 64.270 62.300 0.143 0.000 1.038 219 V CB -1.088 30.808 31.823 0.122 0.000 0.651 219 V HN 0.551 nan 8.190 nan 0.000 0.450 220 A N -0.791 122.037 122.820 0.012 0.000 1.930 220 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 220 A C 2.146 179.706 177.584 -0.040 0.000 1.175 220 A CA 1.627 53.659 52.037 -0.008 0.000 0.627 220 A CB -0.362 18.608 19.000 -0.049 0.000 0.815 220 A HN 0.629 nan 8.150 nan 0.000 0.443 221 E N -0.615 119.541 120.200 -0.073 0.000 2.216 221 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 221 E C 2.186 178.681 176.600 -0.174 0.000 0.988 221 E CA 0.950 57.290 56.400 -0.099 0.000 0.834 221 E CB -0.068 29.580 29.700 -0.086 0.000 0.772 221 E HN 0.719 nan 8.360 nan 0.000 0.479 222 Q N -0.758 118.872 119.800 -0.284 0.000 2.123 222 Q HA 0.002 4.342 4.340 -0.000 0.000 0.196 222 Q C 1.266 176.819 176.000 -0.745 0.000 0.958 222 Q CA 0.970 56.397 55.803 -0.627 0.000 0.841 222 Q CB 0.265 28.386 28.738 -1.028 0.000 0.915 222 Q HN 0.279 nan 8.270 nan 0.000 0.455 223 F N -1.093 118.838 119.950 -0.032 0.000 2.712 223 F HA 0.191 4.718 4.527 -0.000 0.000 0.297 223 F C 1.265 177.050 175.800 -0.025 0.000 1.114 223 F CA 0.009 57.991 58.000 -0.030 0.000 1.305 223 F CB 0.658 39.638 39.000 -0.034 0.000 1.086 223 F HN -0.123 nan 8.300 nan 0.000 0.599 224 L N 0.200 121.485 121.223 0.104 0.000 2.741 224 L HA 0.189 4.529 4.340 -0.000 0.000 0.237 224 L C 0.134 177.018 176.870 0.023 0.000 1.178 224 L CA -0.060 54.817 54.840 0.062 0.000 0.973 224 L CB -0.447 41.638 42.059 0.043 0.000 1.255 224 L HN -0.022 nan 8.230 nan 0.000 0.498 225 N N 2.021 120.723 118.700 0.003 0.000 2.968 225 N HA 0.207 4.947 4.740 -0.000 0.000 0.271 225 N C -0.874 174.637 175.510 0.001 0.000 1.174 225 N CA 0.048 53.092 53.050 -0.011 0.000 1.096 225 N CB 0.182 38.648 38.487 -0.034 0.000 1.403 225 N HN 0.040 nan 8.380 nan 0.000 0.522 226 I N 1.669 122.246 120.570 0.012 0.000 2.466 226 I HA 0.503 4.673 4.170 -0.000 0.000 0.289 226 I C -0.031 176.092 176.117 0.009 0.000 1.026 226 I CA -0.631 60.680 61.300 0.017 0.000 1.078 226 I CB 1.413 39.437 38.000 0.040 0.000 1.249 226 I HN 0.205 nan 8.210 nan 0.000 0.429 227 R N 3.437 123.938 120.500 0.000 0.000 2.536 227 R HA 0.577 4.917 4.340 -0.000 0.000 0.269 227 R C -0.299 175.993 176.300 -0.014 0.000 1.113 227 R CA -0.368 55.727 56.100 -0.007 0.000 0.948 227 R CB 2.164 32.458 30.300 -0.009 0.000 1.237 227 R HN 0.926 nan 8.270 nan 0.000 0.441 228 G N 1.197 109.983 108.800 -0.023 0.000 4.706 228 G HA2 0.112 4.072 3.960 -0.000 0.000 0.223 228 G HA3 0.112 4.072 3.960 -0.000 0.000 0.223 228 G C -0.021 174.849 174.900 -0.049 0.000 0.812 228 G CA 0.135 45.217 45.100 -0.030 0.000 1.222 228 G HN 0.770 nan 8.290 nan 0.000 0.732 229 G N -0.196 108.566 108.800 -0.063 0.000 2.945 229 G HA2 0.710 4.670 3.960 -0.000 0.000 0.156 229 G HA3 0.710 4.670 3.960 -0.000 0.000 0.156 229 G C 0.403 175.237 174.900 -0.109 0.000 1.375 229 G CA -0.763 44.270 45.100 -0.113 0.000 1.039 229 G HN 0.302 nan 8.290 nan 0.000 0.586 230 L N -0.869 120.267 121.223 -0.145 0.000 2.770 230 L HA 0.563 4.903 4.340 -0.000 0.000 0.229 230 L C 1.853 178.688 176.870 -0.060 0.000 1.173 230 L CA 0.072 54.856 54.840 -0.092 0.000 0.871 230 L CB 0.925 42.931 42.059 -0.089 0.000 1.682 230 L HN 0.625 nan 8.230 nan 0.000 0.523 231 G N -0.708 108.075 108.800 -0.028 0.000 2.710 231 G HA2 0.223 4.183 3.960 -0.000 0.000 0.215 231 G HA3 0.223 4.183 3.960 -0.000 0.000 0.215 231 G C 0.373 175.272 174.900 -0.001 0.000 1.345 231 G CA -0.089 45.003 45.100 -0.013 0.000 0.812 231 G HN 0.285 nan 8.290 nan 0.000 0.606 232 L N -0.608 120.633 121.223 0.030 0.000 2.891 232 L HA 0.592 4.932 4.340 -0.000 0.000 0.216 232 L C 0.223 177.157 176.870 0.106 0.000 1.209 232 L CA -0.339 54.535 54.840 0.056 0.000 0.957 232 L CB -0.311 41.785 42.059 0.062 0.000 1.876 232 L HN 0.018 nan 8.230 nan 0.000 0.532 233 S N 0.083 115.865 115.700 0.137 0.000 3.812 233 S HA 0.582 5.052 4.470 -0.000 0.000 0.195 233 S C 0.357 175.082 174.600 0.208 0.000 1.460 233 S CA 0.260 58.590 58.200 0.217 0.000 1.052 233 S CB -0.922 62.368 63.200 0.151 0.000 1.385 233 S HN 1.111 nan 8.310 nan 0.000 0.490 234 G N 0.568 109.545 108.800 0.294 0.000 2.353 234 G HA2 0.282 4.242 3.960 -0.000 0.000 0.424 234 G HA3 0.282 4.242 3.960 -0.000 0.000 0.424 234 G C -0.004 174.973 174.900 0.129 0.000 1.320 234 G CA -0.324 44.883 45.100 0.178 0.000 0.995 234 G HN 0.394 nan 8.290 nan 0.000 0.580 235 A N -0.645 122.215 122.820 0.067 0.000 2.288 235 A HA 0.752 5.072 4.320 -0.000 0.000 0.216 235 A C 0.839 178.448 177.584 0.042 0.000 1.199 235 A CA 1.821 53.893 52.037 0.057 0.000 0.891 235 A CB -0.175 18.850 19.000 0.042 0.000 0.923 235 A HN 2.180 nan 8.150 nan 0.000 0.500 236 K N -1.155 119.262 120.400 0.029 0.000 4.950 236 K HA -0.023 4.297 4.320 -0.000 0.000 0.899 236 K C -0.383 176.239 176.600 0.035 0.000 2.003 236 K CA 0.474 56.783 56.287 0.037 0.000 1.492 236 K CB -1.395 31.140 32.500 0.057 0.000 2.919 236 K HN 1.049 nan 8.250 nan 0.000 0.166 237 A N 5.612 128.445 122.820 0.022 0.000 2.444 237 A HA 0.215 4.534 4.320 -0.000 0.000 0.273 237 A C -0.173 177.544 177.584 0.221 0.000 1.136 237 A CA 0.171 52.237 52.037 0.048 0.000 0.799 237 A CB 0.193 19.130 19.000 -0.104 0.000 1.081 237 A HN 0.434 nan 8.150 nan 0.000 0.509 238 K N 3.205 123.748 120.400 0.237 0.000 2.268 238 K HA 0.139 4.459 4.320 -0.000 0.000 0.276 238 K C -0.948 175.851 176.600 0.333 0.000 1.080 238 K CA -0.204 56.228 56.287 0.241 0.000 0.910 238 K CB 0.900 33.482 32.500 0.137 0.000 1.163 238 K HN 0.726 nan 8.250 nan 0.000 0.465 239 Y N 2.237 122.659 120.300 0.203 0.000 2.511 239 Y HA -0.119 4.431 4.550 -0.000 0.000 0.332 239 Y C 1.232 177.158 175.900 0.044 0.000 1.177 239 Y CA 0.954 59.045 58.100 -0.016 0.000 1.422 239 Y CB 0.424 38.840 38.460 -0.074 0.000 1.271 239 Y HN 0.694 nan 8.280 nan 0.000 0.550 240 H N 3.339 122.054 119.070 -0.591 0.000 2.067 240 H HA 0.472 5.028 4.556 -0.000 0.000 0.220 240 H C 0.422 175.486 175.328 -0.441 0.000 0.883 240 H CA 0.639 56.492 56.048 -0.325 0.000 1.042 240 H CB 0.469 30.104 29.762 -0.211 0.000 1.305 240 H HN 0.949 nan 8.280 nan 0.000 0.430 241 G N -0.794 107.418 108.800 -0.979 0.000 2.612 241 G HA2 0.443 4.403 3.960 -0.000 0.000 0.686 241 G HA3 0.443 4.403 3.960 -0.000 0.000 0.686 241 G C 0.169 174.642 174.900 -0.712 0.000 1.274 241 G CA 0.047 44.697 45.100 -0.751 0.000 0.849 241 G HN 1.538 nan 8.290 nan 0.000 0.595 242 G N -0.613 107.946 108.800 -0.402 0.000 2.334 242 G HA2 0.668 4.628 3.960 -0.000 0.000 0.315 242 G HA3 0.668 4.628 3.960 -0.000 0.000 0.315 242 G C -0.736 174.064 174.900 -0.166 0.000 1.284 242 G CA 0.667 45.604 45.100 -0.270 0.000 0.985 242 G HN 2.348 nan 8.290 nan 0.000 0.504 243 E N -1.128 119.018 120.200 -0.089 0.000 2.331 243 E HA 0.696 5.046 4.350 -0.000 0.000 0.275 243 E C -1.288 175.290 176.600 -0.035 0.000 0.895 243 E CA -1.110 55.248 56.400 -0.069 0.000 0.753 243 E CB 2.442 32.116 29.700 -0.045 0.000 1.216 243 E HN 0.609 nan 8.360 nan 0.000 0.434 244 I N 2.053 122.592 120.570 -0.051 0.000 2.406 244 I HA 0.437 4.607 4.170 -0.000 0.000 0.290 244 I C -0.251 175.835 176.117 -0.052 0.000 0.999 244 I CA -0.933 60.350 61.300 -0.028 0.000 1.124 244 I CB 1.788 39.781 38.000 -0.011 0.000 1.289 244 I HN 0.373 nan 8.210 nan 0.000 0.441 245 R N 4.650 125.125 120.500 -0.043 0.000 2.439 245 R HA 0.377 4.717 4.340 -0.000 0.000 0.310 245 R C -0.794 175.476 176.300 -0.049 0.000 0.955 245 R CA -0.644 55.410 56.100 -0.077 0.000 0.853 245 R CB 2.438 32.676 30.300 -0.103 0.000 1.171 245 R HN 0.570 nan 8.270 nan 0.000 0.449 246 E N 2.915 123.080 120.200 -0.060 0.000 2.149 246 E HA 0.071 4.421 4.350 -0.000 0.000 0.255 246 E C -0.649 175.914 176.600 -0.062 0.000 0.888 246 E CA -0.591 55.780 56.400 -0.049 0.000 0.742 246 E CB 0.992 30.663 29.700 -0.049 0.000 1.164 246 E HN 0.256 nan 8.360 nan 0.000 0.422 247 Q N 2.340 122.112 119.800 -0.047 0.000 2.300 247 Q HA 0.028 4.368 4.340 -0.000 0.000 0.280 247 Q C -0.282 175.690 176.000 -0.046 0.000 1.033 247 Q CA 0.887 56.664 55.803 -0.044 0.000 0.903 247 Q CB 1.162 29.883 28.738 -0.028 0.000 1.195 247 Q HN 0.754 nan 8.270 nan 0.000 0.386 248 N N 0.178 118.850 118.700 -0.047 0.000 2.268 248 N HA 0.077 4.817 4.740 -0.000 0.000 0.256 248 N C -0.311 175.179 175.510 -0.034 0.000 1.090 248 N CA 0.479 53.497 53.050 -0.053 0.000 0.806 248 N CB 0.647 39.085 38.487 -0.082 0.000 1.644 248 N HN 0.738 nan 8.380 nan 0.000 0.544 249 G N 1.875 110.663 108.800 -0.021 0.000 2.460 249 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.259 249 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.259 249 G C -0.666 174.230 174.900 -0.007 0.000 0.959 249 G CA 0.507 45.603 45.100 -0.007 0.000 1.330 249 G HN 0.447 nan 8.290 nan 0.000 0.451 250 D N 0.073 120.475 120.400 0.002 0.000 2.520 250 D HA 0.317 4.957 4.640 -0.000 0.000 0.223 250 D C 1.460 177.778 176.300 0.030 0.000 1.186 250 D CA 1.339 55.346 54.000 0.011 0.000 0.821 250 D CB 0.476 41.282 40.800 0.010 0.000 1.072 250 D HN 0.947 nan 8.370 nan 0.000 0.518 251 S N -0.814 114.901 115.700 0.026 0.000 2.025 251 S HA -0.238 4.232 4.470 -0.000 0.000 0.231 251 S C 0.046 174.667 174.600 0.035 0.000 1.075 251 S CA 0.972 59.188 58.200 0.028 0.000 1.586 251 S CB -1.274 61.942 63.200 0.027 0.000 2.055 251 S HN 0.305 nan 8.310 nan 0.000 0.569 252 L N 2.145 123.402 121.223 0.056 0.000 2.333 252 L HA 0.696 5.036 4.340 -0.000 0.000 0.280 252 L C -0.197 176.732 176.870 0.098 0.000 1.004 252 L CA -0.948 53.933 54.840 0.069 0.000 0.820 252 L CB 1.887 44.004 42.059 0.096 0.000 1.247 252 L HN 0.102 nan 8.230 nan 0.000 0.416 253 V N 2.835 122.776 119.914 0.045 0.000 2.465 253 V HA 0.277 4.397 4.120 -0.000 0.000 0.279 253 V C -0.073 176.034 176.094 0.022 0.000 1.045 253 V CA -0.400 61.924 62.300 0.040 0.000 0.938 253 V CB 1.129 32.947 31.823 -0.009 0.000 0.986 253 V HN 0.577 nan 8.190 nan 0.000 0.467 254 H N 3.351 122.377 119.070 -0.073 0.000 2.459 254 H HA 0.738 5.293 4.556 -0.000 0.000 0.332 254 H C -0.155 175.004 175.328 -0.282 0.000 1.094 254 H CA -0.263 55.706 56.048 -0.132 0.000 1.224 254 H CB 2.057 31.801 29.762 -0.029 0.000 1.449 254 H HN 0.762 nan 8.280 nan 0.000 0.484 255 A N 2.218 124.811 122.820 -0.378 0.000 2.515 255 A HA 0.743 5.063 4.320 -0.000 0.000 0.298 255 A C -1.310 175.900 177.584 -0.623 0.000 1.059 255 A CA -0.490 51.316 52.037 -0.384 0.000 0.698 255 A CB 1.709 20.577 19.000 -0.220 0.000 1.289 255 A HN 0.710 nan 8.150 nan 0.000 0.404 256 A N 1.525 124.044 122.820 -0.503 0.000 2.359 256 A HA 0.725 5.045 4.320 -0.000 0.000 0.303 256 A C -1.279 176.036 177.584 -0.449 0.000 1.066 256 A CA -0.309 51.427 52.037 -0.503 0.000 0.730 256 A CB 1.037 19.753 19.000 -0.473 0.000 1.211 256 A HN 1.066 nan 8.150 nan 0.000 0.439 257 L N 3.525 124.388 121.223 -0.600 0.000 2.356 257 L HA 0.794 5.134 4.340 -0.000 0.000 0.277 257 L C -1.341 175.274 176.870 -0.425 0.000 0.996 257 L CA -0.613 53.887 54.840 -0.567 0.000 0.822 257 L CB 1.693 43.240 42.059 -0.854 0.000 1.256 257 L HN 0.574 nan 8.230 nan 0.000 0.413 258 V N 2.973 122.795 119.914 -0.152 0.000 3.188 258 V HA 0.897 5.017 4.120 -0.000 0.000 0.305 258 V C -0.869 175.322 176.094 0.161 0.000 1.232 258 V CA -0.441 61.894 62.300 0.058 0.000 1.043 258 V CB 2.324 34.107 31.823 -0.067 0.000 1.068 258 V HN 0.874 nan 8.190 nan 0.000 0.439 259 A N 1.228 124.214 122.820 0.275 0.000 2.566 259 A HA 0.757 5.077 4.320 -0.000 0.000 0.292 259 A C -0.779 176.794 177.584 -0.018 0.000 1.112 259 A CA -0.580 51.525 52.037 0.115 0.000 0.707 259 A CB 1.595 20.631 19.000 0.060 0.000 1.302 259 A HN 0.794 nan 8.150 nan 0.000 0.409 260 E N 0.412 120.338 120.200 -0.456 0.000 2.376 260 E HA 0.344 4.694 4.350 -0.000 0.000 0.266 260 E C 0.643 177.096 176.600 -0.246 0.000 1.009 260 E CA 0.561 56.645 56.400 -0.526 0.000 0.902 260 E CB 0.497 29.613 29.700 -0.974 0.000 0.972 260 E HN 0.736 nan 8.360 nan 0.000 0.439 261 S N 3.130 118.668 115.700 -0.271 0.000 4.150 261 S HA 0.749 5.219 4.470 -0.000 0.000 0.193 261 S C -0.236 174.210 174.600 -0.256 0.000 1.010 261 S CA -0.325 57.546 58.200 -0.549 0.000 1.650 261 S CB 0.457 62.849 63.200 -1.346 0.000 0.823 261 S HN 0.544 nan 8.310 nan 0.000 0.794 262 A N 0.201 122.859 122.820 -0.270 0.000 2.401 262 A HA 0.876 5.195 4.320 -0.000 0.000 0.310 262 A C -0.121 177.458 177.584 -0.009 0.000 1.075 262 A CA -0.540 51.482 52.037 -0.024 0.000 0.746 262 A CB 1.003 20.071 19.000 0.112 0.000 1.277 262 A HN 1.347 nan 8.150 nan 0.000 0.425 263 A N 1.247 124.089 122.820 0.037 0.000 2.445 263 A HA 0.482 4.802 4.320 -0.000 0.000 0.242 263 A C 0.413 178.013 177.584 0.027 0.000 1.075 263 A CA -0.107 51.960 52.037 0.050 0.000 0.777 263 A CB -0.141 18.899 19.000 0.067 0.000 1.013 263 A HN 0.971 nan 8.150 nan 0.000 0.493 264 I N 1.152 121.732 120.570 0.017 0.000 2.813 264 I HA 0.301 4.471 4.170 -0.000 0.000 0.287 264 I C 1.520 177.640 176.117 0.005 0.000 1.196 264 I CA 1.937 63.237 61.300 -0.001 0.000 1.421 264 I CB 0.670 38.665 38.000 -0.009 0.000 1.365 264 I HN 1.125 nan 8.210 nan 0.000 0.591 265 G N 3.812 112.605 108.800 -0.012 0.000 2.336 265 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.233 265 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.233 265 G C 0.372 175.264 174.900 -0.014 0.000 1.053 265 G CA 0.209 45.298 45.100 -0.017 0.000 0.625 265 G HN 0.971 nan 8.290 nan 0.000 0.511 266 S N 1.023 116.725 115.700 0.004 0.000 2.585 266 S HA 0.686 5.156 4.470 -0.000 0.000 0.273 266 S C 1.739 176.342 174.600 0.004 0.000 1.339 266 S CA 0.581 58.787 58.200 0.010 0.000 1.028 266 S CB 1.671 64.889 63.200 0.029 0.000 0.906 266 S HN 1.831 nan 8.310 nan 0.000 0.528 267 A N 1.173 123.992 122.820 -0.001 0.000 1.940 267 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 267 A C 2.103 179.688 177.584 0.001 0.000 1.176 267 A CA 1.731 53.761 52.037 -0.012 0.000 0.631 267 A CB -1.153 17.836 19.000 -0.018 0.000 0.814 267 A HN 1.011 nan 8.150 nan 0.000 0.446 268 E N -0.301 119.917 120.200 0.031 0.000 2.204 268 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 268 E C 2.094 178.786 176.600 0.154 0.000 0.990 268 E CA 0.810 57.252 56.400 0.070 0.000 0.821 268 E CB -0.215 29.557 29.700 0.120 0.000 0.750 268 E HN 0.603 nan 8.360 nan 0.000 0.477 269 A N 1.097 123.990 122.820 0.120 0.000 1.902 269 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 269 A C 1.755 179.394 177.584 0.091 0.000 1.181 269 A CA 1.839 53.951 52.037 0.124 0.000 0.623 269 A CB -0.695 18.330 19.000 0.042 0.000 0.818 269 A HN 0.336 nan 8.150 nan 0.000 0.443 270 N N 0.315 119.027 118.700 0.020 0.000 2.188 270 N HA -0.005 4.735 4.740 -0.000 0.000 0.184 270 N C 1.841 177.333 175.510 -0.030 0.000 1.018 270 N CA 1.111 54.149 53.050 -0.020 0.000 0.858 270 N CB -0.278 38.177 38.487 -0.054 0.000 0.989 270 N HN 0.490 nan 8.380 nan 0.000 0.426 271 A N 0.508 123.293 122.820 -0.058 0.000 1.933 271 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 271 A C 1.733 179.168 177.584 -0.247 0.000 1.175 271 A CA 1.123 53.061 52.037 -0.165 0.000 0.628 271 A CB -0.782 18.076 19.000 -0.236 0.000 0.814 271 A HN 0.216 nan 8.150 nan 0.000 0.444 272 F N 0.599 120.449 119.950 -0.166 0.000 2.186 272 F HA -0.100 4.427 4.527 -0.000 0.000 0.299 272 F C 2.787 178.498 175.800 -0.148 0.000 1.090 272 F CA 1.574 59.404 58.000 -0.284 0.000 1.307 272 F CB -0.309 38.539 39.000 -0.255 0.000 1.019 272 F HN 0.143 nan 8.300 nan 0.000 0.489 273 S N -0.428 115.346 115.700 0.123 0.000 2.383 273 S HA -0.126 4.344 4.470 -0.000 0.000 0.227 273 S C 2.271 176.967 174.600 0.161 0.000 1.026 273 S CA 1.177 59.465 58.200 0.147 0.000 0.981 273 S CB -0.445 62.798 63.200 0.071 0.000 0.818 273 S HN 0.132 nan 8.310 nan 0.000 0.472 274 V N 1.725 121.666 119.914 0.045 0.000 2.548 274 V HA -0.070 4.050 4.120 -0.000 0.000 0.249 274 V C 2.176 178.308 176.094 0.064 0.000 1.055 274 V CA 1.130 63.452 62.300 0.035 0.000 1.065 274 V CB -0.579 31.223 31.823 -0.034 0.000 0.681 274 V HN 0.359 nan 8.190 nan 0.000 0.462 275 L N 0.319 121.530 121.223 -0.020 0.000 2.083 275 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 275 L C 2.450 179.414 176.870 0.157 0.000 1.083 275 L CA 2.090 56.909 54.840 -0.035 0.000 0.752 275 L CB -0.888 40.982 42.059 -0.315 0.000 0.899 275 L HN 0.402 nan 8.230 nan 0.000 0.433 276 Q N -1.373 118.588 119.800 0.267 0.000 2.135 276 Q HA -0.266 4.074 4.340 -0.000 0.000 0.204 276 Q C 1.810 177.891 176.000 0.135 0.000 0.981 276 Q CA 2.056 58.064 55.803 0.342 0.000 0.856 276 Q CB -0.095 28.848 28.738 0.341 0.000 0.902 276 Q HN 0.679 nan 8.270 nan 0.000 0.425 277 H N -1.375 117.771 119.070 0.127 0.000 2.544 277 H HA 0.049 4.605 4.556 -0.000 0.000 0.269 277 H C 1.829 177.205 175.328 0.080 0.000 0.970 277 H CA 0.795 56.906 56.048 0.104 0.000 1.219 277 H CB 0.458 30.272 29.762 0.087 0.000 1.421 277 H HN 0.034 nan 8.280 nan 0.000 0.555 278 V N 0.339 120.351 119.914 0.164 0.000 2.323 278 V HA -0.186 3.934 4.120 -0.000 0.000 0.244 278 V C 2.163 178.314 176.094 0.096 0.000 1.041 278 V CA 1.465 63.826 62.300 0.103 0.000 1.025 278 V CB -0.373 31.493 31.823 0.071 0.000 0.656 278 V HN 0.325 nan 8.190 nan 0.000 0.451 279 L N -0.191 121.104 121.223 0.120 0.000 2.023 279 L HA 0.303 4.643 4.340 -0.000 0.000 0.205 279 L C 1.080 178.007 176.870 0.096 0.000 1.073 279 L CA 1.344 56.254 54.840 0.116 0.000 0.745 279 L CB -0.432 41.727 42.059 0.166 0.000 0.900 279 L HN 0.527 nan 8.230 nan 0.000 0.435 280 G N -1.136 107.708 108.800 0.073 0.000 2.677 280 G HA2 0.351 4.311 3.960 -0.000 0.000 0.321 280 G HA3 0.351 4.311 3.960 -0.000 0.000 0.321 280 G C -0.718 174.186 174.900 0.006 0.000 1.449 280 G CA -0.408 44.720 45.100 0.046 0.000 1.064 280 G HN 0.306 nan 8.290 nan 0.000 0.627 281 A N 1.661 124.429 122.820 -0.087 0.000 3.623 281 A HA 1.012 5.332 4.320 -0.000 0.000 0.157 281 A C 1.558 179.135 177.584 -0.012 0.000 1.850 281 A CA 0.627 52.605 52.037 -0.098 0.000 1.186 281 A CB -0.394 18.444 19.000 -0.270 0.000 1.824 281 A HN 2.248 nan 8.150 nan 0.000 0.710 282 G N -0.753 108.030 108.800 -0.028 0.000 2.683 282 G HA2 0.465 4.425 3.960 -0.000 0.000 0.260 282 G HA3 0.465 4.425 3.960 -0.000 0.000 0.260 282 G C -2.518 172.389 174.900 0.012 0.000 1.238 282 G CA -0.528 44.562 45.100 -0.018 0.000 0.934 282 G HN 0.515 nan 8.290 nan 0.000 0.534 283 P HA 0.416 nan 4.420 nan 0.000 0.278 283 P C -0.593 176.727 177.300 0.032 0.000 1.258 283 P CA -0.422 62.701 63.100 0.039 0.000 0.811 283 P CB 1.203 32.883 31.700 -0.033 0.000 1.063 284 H N -1.738 117.309 119.070 -0.039 0.000 3.058 284 H HA 0.302 4.858 4.556 -0.000 0.000 0.258 284 H C -0.102 175.212 175.328 -0.024 0.000 1.015 284 H CA 0.254 56.292 56.048 -0.017 0.000 1.210 284 H CB 0.468 30.227 29.762 -0.004 0.000 1.481 284 H HN -0.011 nan 8.280 nan 0.000 0.492 285 V N 1.212 121.173 119.914 0.078 0.000 2.604 285 V HA 0.180 4.300 4.120 -0.000 0.000 0.305 285 V C 0.003 176.093 176.094 -0.006 0.000 1.043 285 V CA -1.409 60.907 62.300 0.026 0.000 0.888 285 V CB 2.483 34.313 31.823 0.011 0.000 0.995 285 V HN 0.089 nan 8.190 nan 0.000 0.429 286 K N 4.164 124.559 120.400 -0.007 0.000 2.402 286 K HA 0.226 4.546 4.320 -0.000 0.000 0.285 286 K C 0.326 176.913 176.600 -0.022 0.000 1.054 286 K CA 0.045 56.323 56.287 -0.016 0.000 1.001 286 K CB -0.023 32.471 32.500 -0.010 0.000 0.946 286 K HN 0.657 nan 8.250 nan 0.000 0.473 287 R N 1.112 121.592 120.500 -0.034 0.000 3.332 287 R HA -0.161 4.179 4.340 -0.000 0.000 0.263 287 R C 0.095 176.366 176.300 -0.048 0.000 1.053 287 R CA 0.428 56.505 56.100 -0.039 0.000 0.705 287 R CB -2.173 28.114 30.300 -0.022 0.000 1.166 287 R HN 0.799 nan 8.270 nan 0.000 0.427 288 G N -0.751 108.005 108.800 -0.073 0.000 2.461 288 G HA2 0.397 4.357 3.960 -0.000 0.000 0.329 288 G HA3 0.397 4.357 3.960 -0.000 0.000 0.329 288 G C 0.749 175.566 174.900 -0.137 0.000 1.170 288 G CA -0.505 44.546 45.100 -0.082 0.000 0.935 288 G HN 0.087 nan 8.290 nan 0.000 0.492 289 S N 0.130 115.767 115.700 -0.106 0.000 2.447 289 S HA -0.064 4.406 4.470 -0.000 0.000 0.233 289 S C 0.952 175.419 174.600 -0.222 0.000 1.006 289 S CA 0.536 58.671 58.200 -0.108 0.000 0.957 289 S CB -0.410 62.774 63.200 -0.027 0.000 0.773 289 S HN 0.789 nan 8.310 nan 0.000 0.507 290 N N 0.088 118.656 118.700 -0.218 0.000 2.771 290 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 290 N C 0.728 176.169 175.510 -0.116 0.000 1.069 290 N CA 0.173 53.080 53.050 -0.239 0.000 0.688 290 N CB -0.992 37.174 38.487 -0.536 0.000 0.928 290 N HN 0.457 nan 8.380 nan 0.000 0.551 291 A N 0.679 123.459 122.820 -0.068 0.000 1.892 291 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 291 A C 2.261 179.836 177.584 -0.016 0.000 1.188 291 A CA 2.273 54.295 52.037 -0.024 0.000 0.631 291 A CB -0.701 18.286 19.000 -0.023 0.000 0.822 291 A HN 0.692 nan 8.150 nan 0.000 0.447 292 T N -2.692 111.835 114.554 -0.045 0.000 3.215 292 T HA 0.177 4.527 4.350 -0.000 0.000 0.254 292 T C 0.675 175.371 174.700 -0.007 0.000 1.149 292 T CA 0.724 62.803 62.100 -0.035 0.000 1.042 292 T CB -0.397 68.426 68.868 -0.074 0.000 0.966 292 T HN 0.251 nan 8.240 nan 0.000 0.534 293 S N 0.638 116.346 115.700 0.013 0.000 2.415 293 S HA 0.394 4.864 4.470 -0.000 0.000 0.313 293 S C 1.384 176.046 174.600 0.105 0.000 1.067 293 S CA -0.618 57.620 58.200 0.063 0.000 1.099 293 S CB 0.426 63.672 63.200 0.077 0.000 0.991 293 S HN 0.367 nan 8.310 nan 0.000 0.491 294 S N 4.633 120.381 115.700 0.080 0.000 2.372 294 S HA -0.116 4.354 4.470 -0.000 0.000 0.227 294 S C 1.745 176.389 174.600 0.072 0.000 1.044 294 S CA 1.550 59.792 58.200 0.070 0.000 1.050 294 S CB -0.389 62.846 63.200 0.059 0.000 0.901 294 S HN 0.785 nan 8.310 nan 0.000 0.447 295 L N -0.963 120.309 121.223 0.083 0.000 2.027 295 L HA -0.111 4.229 4.340 -0.000 0.000 0.206 295 L C 2.237 179.158 176.870 0.086 0.000 1.074 295 L CA 1.589 56.451 54.840 0.036 0.000 0.745 295 L CB -0.609 41.462 42.059 0.020 0.000 0.898 295 L HN 0.362 nan 8.230 nan 0.000 0.433 296 Y N 0.723 121.067 120.300 0.073 0.000 2.097 296 Y HA -0.307 4.243 4.550 -0.000 0.000 0.282 296 Y C 2.930 178.926 175.900 0.161 0.000 1.152 296 Y CA 1.610 59.811 58.100 0.168 0.000 1.136 296 Y CB 0.053 38.581 38.460 0.113 0.000 0.975 296 Y HN 0.183 nan 8.280 nan 0.000 0.498 297 Q N -0.358 119.620 119.800 0.297 0.000 2.170 297 Q HA -0.155 4.185 4.340 -0.000 0.000 0.203 297 Q C 2.463 178.501 176.000 0.064 0.000 0.976 297 Q CA 1.262 57.176 55.803 0.184 0.000 0.858 297 Q CB -0.741 28.073 28.738 0.126 0.000 0.907 297 Q HN 0.608 nan 8.270 nan 0.000 0.433 298 A N 0.280 123.112 122.820 0.019 0.000 1.930 298 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 298 A C 2.412 179.908 177.584 -0.147 0.000 1.175 298 A CA 1.290 53.295 52.037 -0.053 0.000 0.627 298 A CB -0.405 18.561 19.000 -0.055 0.000 0.815 298 A HN 0.201 nan 8.150 nan 0.000 0.443 299 V N -0.320 119.456 119.914 -0.231 0.000 2.346 299 V HA -0.142 3.978 4.120 -0.000 0.000 0.244 299 V C 3.044 178.797 176.094 -0.568 0.000 1.037 299 V CA 1.596 63.607 62.300 -0.482 0.000 1.029 299 V CB -1.198 30.169 31.823 -0.760 0.000 0.663 299 V HN 0.584 nan 8.190 nan 0.000 0.454 300 A N 0.146 122.754 122.820 -0.353 0.000 1.892 300 A HA -0.339 3.981 4.320 -0.000 0.000 0.218 300 A C 2.303 179.797 177.584 -0.149 0.000 1.188 300 A CA 2.522 54.490 52.037 -0.115 0.000 0.631 300 A CB -0.639 18.507 19.000 0.244 0.000 0.822 300 A HN 0.533 nan 8.150 nan 0.000 0.447 301 K N -1.088 119.253 120.400 -0.098 0.000 2.077 301 K HA -0.208 4.112 4.320 -0.000 0.000 0.213 301 K C 1.554 178.064 176.600 -0.150 0.000 1.051 301 K CA 1.863 58.108 56.287 -0.071 0.000 0.929 301 K CB -0.474 31.997 32.500 -0.049 0.000 0.715 301 K HN 0.450 nan 8.250 nan 0.000 0.451 302 G N -0.346 108.302 108.800 -0.253 0.000 3.277 302 G HA2 0.243 4.203 3.960 -0.000 0.000 0.243 302 G HA3 0.243 4.203 3.960 -0.000 0.000 0.243 302 G C -0.674 173.914 174.900 -0.520 0.000 1.107 302 G CA -0.318 44.602 45.100 -0.300 0.000 0.771 302 G HN 0.100 nan 8.290 nan 0.000 0.544 303 V N 2.045 121.557 119.914 -0.670 0.000 2.483 303 V HA 0.358 4.478 4.120 -0.000 0.000 0.297 303 V C -1.059 174.683 176.094 -0.588 0.000 1.027 303 V CA -1.082 60.841 62.300 -0.628 0.000 0.855 303 V CB 1.565 33.027 31.823 -0.601 0.000 0.995 303 V HN 0.327 nan 8.190 nan 0.000 0.424 304 H N 5.120 124.166 119.070 -0.039 0.000 2.683 304 H HA 0.778 5.334 4.556 -0.000 0.000 0.270 304 H C -0.147 175.215 175.328 0.057 0.000 1.201 304 H CA -0.245 55.819 56.048 0.026 0.000 1.277 304 H CB 1.431 31.199 29.762 0.011 0.000 1.400 304 H HN 0.751 nan 8.280 nan 0.000 0.504 305 Q N 0.218 120.137 119.800 0.197 0.000 2.728 305 Q HA -0.037 4.303 4.340 -0.000 0.000 0.314 305 Q C -2.866 173.256 176.000 0.203 0.000 0.794 305 Q CA -0.799 55.103 55.803 0.166 0.000 0.995 305 Q CB -0.736 28.084 28.738 0.137 0.000 1.170 305 Q HN 0.437 nan 8.270 nan 0.000 0.505 306 P HA 0.206 nan 4.420 nan 0.000 0.255 306 P C -1.132 176.270 177.300 0.171 0.000 1.161 306 P CA 0.933 64.088 63.100 0.092 0.000 0.768 306 P CB -0.367 31.368 31.700 0.058 0.000 0.746 307 F N 0.594 120.520 119.950 -0.040 0.000 2.744 307 F HA 0.690 5.217 4.527 -0.000 0.000 0.311 307 F C -2.074 173.686 175.800 -0.067 0.000 1.144 307 F CA -1.110 56.836 58.000 -0.090 0.000 0.938 307 F CB 1.493 40.391 39.000 -0.170 0.000 1.292 307 F HN 0.083 nan 8.300 nan 0.000 0.444 308 D N 1.308 121.719 120.400 0.018 0.000 2.661 308 D HA 0.757 5.397 4.640 -0.000 0.000 0.228 308 D C -1.588 174.832 176.300 0.200 0.000 1.183 308 D CA -0.302 53.700 54.000 0.004 0.000 0.844 308 D CB 2.775 43.605 40.800 0.050 0.000 1.555 308 D HN 0.977 nan 8.370 nan 0.000 0.453 309 V N -0.409 119.642 119.914 0.228 0.000 3.012 309 V HA 0.934 5.054 4.120 -0.000 0.000 0.307 309 V C -0.700 175.542 176.094 0.247 0.000 1.166 309 V CA -0.775 61.662 62.300 0.228 0.000 0.974 309 V CB 1.416 33.324 31.823 0.140 0.000 1.040 309 V HN 0.586 nan 8.190 nan 0.000 0.428 310 S N 1.363 117.205 115.700 0.237 0.000 2.543 310 S HA 0.818 5.288 4.470 -0.000 0.000 0.274 310 S C -0.353 174.375 174.600 0.212 0.000 1.149 310 S CA 0.068 58.384 58.200 0.193 0.000 0.866 310 S CB 1.705 64.995 63.200 0.150 0.000 1.111 310 S HN 2.324 nan 8.310 nan 0.000 0.457 311 A N 2.581 125.485 122.820 0.140 0.000 2.425 311 A HA 0.677 4.997 4.320 -0.000 0.000 0.242 311 A C -0.652 176.990 177.584 0.096 0.000 1.077 311 A CA -0.127 51.959 52.037 0.082 0.000 0.781 311 A CB -0.052 19.004 19.000 0.093 0.000 1.020 311 A HN 1.139 nan 8.150 nan 0.000 0.494 312 F N 1.651 121.475 119.950 -0.210 0.000 2.540 312 F HA 0.556 5.083 4.527 -0.000 0.000 0.317 312 F C -0.317 175.388 175.800 -0.159 0.000 1.104 312 F CA -0.630 57.291 58.000 -0.132 0.000 0.913 312 F CB 1.615 40.556 39.000 -0.097 0.000 1.170 312 F HN 0.654 nan 8.300 nan 0.000 0.450 313 N N 4.692 123.035 118.700 -0.596 0.000 2.549 313 N HA 0.608 5.348 4.740 -0.000 0.000 0.290 313 N C -2.145 173.086 175.510 -0.465 0.000 1.122 313 N CA -0.277 52.630 53.050 -0.238 0.000 0.885 313 N CB 1.555 40.108 38.487 0.110 0.000 1.455 313 N HN 0.800 nan 8.380 nan 0.000 0.521 314 A N 2.252 124.861 122.820 -0.351 0.000 2.343 314 A HA 0.647 4.967 4.320 -0.000 0.000 0.316 314 A C -0.894 176.417 177.584 -0.454 0.000 1.104 314 A CA -0.566 51.230 52.037 -0.400 0.000 0.768 314 A CB 1.728 20.640 19.000 -0.146 0.000 1.213 314 A HN 0.422 nan 8.150 nan 0.000 0.456 315 S N 1.308 116.643 115.700 -0.607 0.000 2.532 315 S HA 0.772 5.242 4.470 -0.000 0.000 0.299 315 S C -1.212 173.040 174.600 -0.580 0.000 1.105 315 S CA -0.308 57.617 58.200 -0.458 0.000 1.018 315 S CB 0.371 63.450 63.200 -0.203 0.000 1.021 315 S HN 0.533 nan 8.310 nan 0.000 0.483 316 Y N 0.985 121.313 120.300 0.046 0.000 2.753 316 Y HA 0.331 4.881 4.550 -0.000 0.000 0.324 316 Y C 1.983 177.897 175.900 0.023 0.000 1.147 316 Y CA -0.635 57.480 58.100 0.025 0.000 1.173 316 Y CB 0.801 39.263 38.460 0.005 0.000 1.361 316 Y HN 0.679 nan 8.280 nan 0.000 0.545 317 S N -0.482 115.346 115.700 0.212 0.000 2.399 317 S HA -0.170 4.300 4.470 -0.000 0.000 0.231 317 S C 0.515 175.179 174.600 0.108 0.000 1.022 317 S CA 1.786 60.061 58.200 0.125 0.000 0.983 317 S CB -0.343 62.922 63.200 0.108 0.000 0.803 317 S HN 0.810 nan 8.310 nan 0.000 0.480 318 D N -0.753 119.719 120.400 0.121 0.000 2.582 318 D HA 0.466 5.106 4.640 -0.000 0.000 0.246 318 D C 0.088 176.476 176.300 0.146 0.000 1.334 318 D CA -0.213 53.852 54.000 0.108 0.000 0.805 318 D CB 0.209 41.058 40.800 0.083 0.000 1.087 318 D HN 0.291 nan 8.370 nan 0.000 0.499 319 S N -1.694 114.125 115.700 0.197 0.000 2.683 319 S HA 0.759 5.229 4.470 -0.000 0.000 0.269 319 S C -1.506 173.250 174.600 0.260 0.000 1.165 319 S CA -0.201 58.155 58.200 0.260 0.000 0.840 319 S CB 1.248 64.705 63.200 0.427 0.000 1.169 319 S HN 0.515 nan 8.310 nan 0.000 0.490 320 G N 0.584 109.536 108.800 0.254 0.000 2.667 320 G HA2 0.587 4.547 3.960 -0.000 0.000 0.294 320 G HA3 0.587 4.547 3.960 -0.000 0.000 0.294 320 G C -2.353 172.639 174.900 0.154 0.000 1.467 320 G CA -0.569 44.604 45.100 0.121 0.000 0.852 320 G HN 0.687 nan 8.290 nan 0.000 0.521 321 L N 1.297 122.619 121.223 0.166 0.000 2.372 321 L HA 0.619 4.959 4.340 -0.000 0.000 0.274 321 L C -1.200 175.791 176.870 0.200 0.000 0.988 321 L CA -0.721 54.252 54.840 0.222 0.000 0.833 321 L CB 1.920 44.200 42.059 0.368 0.000 1.236 321 L HN 0.557 nan 8.230 nan 0.000 0.410 322 F N 2.484 122.430 119.950 -0.006 0.000 2.546 322 F HA 0.912 5.439 4.527 -0.000 0.000 0.320 322 F C 0.264 176.118 175.800 0.091 0.000 1.076 322 F CA 0.113 58.124 58.000 0.018 0.000 0.928 322 F CB 2.154 41.045 39.000 -0.182 0.000 1.189 322 F HN 0.503 nan 8.300 nan 0.000 0.465 323 G N 3.083 111.079 108.800 -1.339 0.000 2.566 323 G HA2 0.320 4.280 3.960 -0.000 0.000 0.138 323 G HA3 0.320 4.280 3.960 -0.000 0.000 0.138 323 G C -1.790 172.643 174.900 -0.778 0.000 1.133 323 G CA -0.108 44.265 45.100 -1.213 0.000 1.037 323 G HN 1.061 nan 8.290 nan 0.000 0.491 324 F N -1.428 118.314 119.950 -0.346 0.000 2.650 324 F HA 0.897 5.424 4.527 -0.000 0.000 0.320 324 F C -1.277 174.516 175.800 -0.012 0.000 1.091 324 F CA -2.073 55.847 58.000 -0.134 0.000 0.962 324 F CB 1.752 40.688 39.000 -0.107 0.000 1.363 324 F HN 0.648 nan 8.300 nan 0.000 0.482 325 Y N 0.807 121.252 120.300 0.242 0.000 2.442 325 Y HA 0.625 5.175 4.550 -0.000 0.000 0.344 325 Y C -0.764 175.252 175.900 0.193 0.000 0.976 325 Y CA -0.488 57.687 58.100 0.124 0.000 1.040 325 Y CB 2.043 40.554 38.460 0.086 0.000 1.228 325 Y HN 0.989 nan 8.280 nan 0.000 0.451 326 T N 4.268 118.870 114.554 0.080 0.000 2.893 326 T HA 0.721 5.071 4.350 -0.000 0.000 0.291 326 T C -1.065 173.610 174.700 -0.041 0.000 1.028 326 T CA -0.712 61.445 62.100 0.094 0.000 0.995 326 T CB 1.577 70.478 68.868 0.055 0.000 1.051 326 T HN 0.527 nan 8.240 nan 0.000 0.470 327 I N 2.760 123.323 120.570 -0.011 0.000 2.466 327 I HA 0.628 4.798 4.170 -0.000 0.000 0.289 327 I C -0.178 175.916 176.117 -0.039 0.000 1.026 327 I CA -0.515 60.684 61.300 -0.170 0.000 1.078 327 I CB 2.015 39.871 38.000 -0.239 0.000 1.249 327 I HN 1.063 nan 8.210 nan 0.000 0.429 328 S N 4.428 120.099 115.700 -0.049 0.000 2.587 328 S HA 0.423 4.893 4.470 -0.000 0.000 0.269 328 S C -1.236 173.363 174.600 -0.001 0.000 1.154 328 S CA -1.176 57.029 58.200 0.009 0.000 0.824 328 S CB 1.701 64.895 63.200 -0.009 0.000 1.118 328 S HN 0.433 nan 8.310 nan 0.000 0.462 329 Q N 0.791 120.596 119.800 0.009 0.000 2.333 329 Q HA 0.214 4.554 4.340 -0.000 0.000 0.299 329 Q C 1.789 177.780 176.000 -0.015 0.000 1.067 329 Q CA 0.702 56.505 55.803 0.000 0.000 0.943 329 Q CB 0.298 29.033 28.738 -0.005 0.000 1.233 329 Q HN 1.026 nan 8.270 nan 0.000 0.401 330 A N 2.947 125.766 122.820 -0.002 0.000 1.940 330 A HA -0.289 4.031 4.320 -0.000 0.000 0.221 330 A C 1.922 179.504 177.584 -0.004 0.000 1.190 330 A CA 2.555 54.600 52.037 0.013 0.000 0.647 330 A CB -0.603 18.420 19.000 0.038 0.000 0.821 330 A HN 0.818 nan 8.150 nan 0.000 0.457 331 A N -1.783 120.977 122.820 -0.100 0.000 2.072 331 A HA 0.176 4.496 4.320 -0.000 0.000 0.216 331 A C 2.169 179.623 177.584 -0.217 0.000 1.156 331 A CA 1.474 53.319 52.037 -0.319 0.000 0.701 331 A CB -0.322 18.444 19.000 -0.390 0.000 0.816 331 A HN 0.417 nan 8.150 nan 0.000 0.458 332 S N -0.365 115.261 115.700 -0.123 0.000 2.558 332 S HA 0.281 4.751 4.470 -0.000 0.000 0.217 332 S C 2.017 176.562 174.600 -0.092 0.000 0.975 332 S CA 0.469 58.602 58.200 -0.112 0.000 0.912 332 S CB -0.026 63.109 63.200 -0.109 0.000 0.776 332 S HN 0.717 nan 8.310 nan 0.000 0.526 333 A N 1.938 124.725 122.820 -0.056 0.000 1.892 333 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 333 A C 2.283 179.845 177.584 -0.037 0.000 1.188 333 A CA 1.950 53.961 52.037 -0.043 0.000 0.631 333 A CB -1.474 17.511 19.000 -0.025 0.000 0.822 333 A HN 0.516 nan 8.150 nan 0.000 0.447 334 G N -0.297 108.497 108.800 -0.011 0.000 2.446 334 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 334 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 334 G C 1.167 176.053 174.900 -0.023 0.000 1.168 334 G CA 1.255 46.357 45.100 0.002 0.000 0.771 334 G HN 0.500 nan 8.290 nan 0.000 0.551 335 D N 0.305 120.670 120.400 -0.059 0.000 2.097 335 D HA -0.091 4.549 4.640 -0.000 0.000 0.195 335 D C 2.822 179.034 176.300 -0.148 0.000 0.989 335 D CA 0.916 54.858 54.000 -0.098 0.000 0.827 335 D CB -0.660 40.065 40.800 -0.124 0.000 0.966 335 D HN 0.196 nan 8.370 nan 0.000 0.456 336 V N 1.461 121.265 119.914 -0.183 0.000 2.255 336 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 336 V C 2.603 178.592 176.094 -0.175 0.000 1.051 336 V CA 1.282 63.432 62.300 -0.249 0.000 1.018 336 V CB -0.457 31.221 31.823 -0.243 0.000 0.641 336 V HN 0.148 nan 8.190 nan 0.000 0.445 337 I N -0.412 120.119 120.570 -0.065 0.000 2.127 337 I HA -0.297 3.873 4.170 -0.000 0.000 0.241 337 I C 2.579 178.735 176.117 0.066 0.000 1.075 337 I CA 1.855 63.185 61.300 0.051 0.000 1.334 337 I CB -0.444 37.616 38.000 0.101 0.000 1.040 337 I HN 0.259 nan 8.210 nan 0.000 0.405 338 K N 0.725 121.156 120.400 0.052 0.000 2.063 338 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 338 K C 2.230 178.844 176.600 0.024 0.000 1.048 338 K CA 1.572 57.913 56.287 0.089 0.000 0.928 338 K CB -0.338 32.197 32.500 0.058 0.000 0.713 338 K HN 0.354 nan 8.250 nan 0.000 0.442 339 A N 1.567 124.340 122.820 -0.079 0.000 1.902 339 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 339 A C 2.398 179.890 177.584 -0.153 0.000 1.181 339 A CA 1.799 53.760 52.037 -0.127 0.000 0.623 339 A CB -0.704 18.175 19.000 -0.201 0.000 0.818 339 A HN 0.331 nan 8.150 nan 0.000 0.443 340 A N -1.348 121.310 122.820 -0.269 0.000 1.858 340 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 340 A C 2.182 179.586 177.584 -0.299 0.000 1.190 340 A CA 1.744 53.479 52.037 -0.503 0.000 0.617 340 A CB -0.920 17.382 19.000 -1.164 0.000 0.827 340 A HN 0.648 nan 8.150 nan 0.000 0.443 341 Y N 1.496 121.685 120.300 -0.185 0.000 2.165 341 Y HA -0.227 4.323 4.550 -0.000 0.000 0.286 341 Y C 2.042 178.031 175.900 0.149 0.000 1.155 341 Y CA 1.742 59.984 58.100 0.237 0.000 1.164 341 Y CB -1.036 37.617 38.460 0.321 0.000 0.978 341 Y HN 0.500 nan 8.280 nan 0.000 0.513 342 N N -0.547 118.189 118.700 0.060 0.000 2.289 342 N HA -0.222 4.518 4.740 -0.000 0.000 0.184 342 N C 1.749 177.248 175.510 -0.019 0.000 1.016 342 N CA 0.853 53.871 53.050 -0.054 0.000 0.872 342 N CB -0.188 38.269 38.487 -0.051 0.000 0.973 342 N HN 0.309 nan 8.380 nan 0.000 0.433 343 Q N 1.277 121.074 119.800 -0.005 0.000 2.119 343 Q HA -0.063 4.277 4.340 -0.000 0.000 0.201 343 Q C 1.796 177.831 176.000 0.059 0.000 0.972 343 Q CA 1.312 57.117 55.803 0.003 0.000 0.847 343 Q CB -0.207 28.513 28.738 -0.029 0.000 0.903 343 Q HN 0.151 nan 8.270 nan 0.000 0.433 344 V N 0.781 120.777 119.914 0.135 0.000 2.295 344 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 344 V C 2.227 178.429 176.094 0.179 0.000 1.049 344 V CA 2.157 64.591 62.300 0.224 0.000 1.024 344 V CB -0.630 31.453 31.823 0.433 0.000 0.648 344 V HN 0.342 nan 8.190 nan 0.000 0.447 345 K N -0.236 120.230 120.400 0.109 0.000 2.089 345 K HA -0.225 4.095 4.320 -0.000 0.000 0.210 345 K C 2.333 178.945 176.600 0.020 0.000 1.048 345 K CA 2.061 58.358 56.287 0.017 0.000 0.926 345 K CB -0.496 31.933 32.500 -0.119 0.000 0.714 345 K HN 0.422 nan 8.250 nan 0.000 0.448 346 T N 1.075 115.639 114.554 0.016 0.000 2.759 346 T HA -0.105 4.245 4.350 -0.000 0.000 0.269 346 T C 1.693 176.406 174.700 0.021 0.000 1.042 346 T CA 1.183 63.290 62.100 0.011 0.000 1.140 346 T CB -0.107 68.765 68.868 0.006 0.000 0.864 346 T HN 0.164 nan 8.240 nan 0.000 0.455 347 I N 0.759 121.353 120.570 0.040 0.000 2.500 347 I HA -0.023 4.147 4.170 -0.000 0.000 0.252 347 I C 2.706 178.841 176.117 0.030 0.000 1.142 347 I CA 0.690 62.011 61.300 0.034 0.000 1.451 347 I CB -0.317 37.711 38.000 0.047 0.000 1.093 347 I HN 0.153 nan 8.210 nan 0.000 0.430 348 A N 0.132 122.983 122.820 0.052 0.000 2.066 348 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 348 A C 2.105 179.702 177.584 0.021 0.000 1.157 348 A CA 1.110 53.175 52.037 0.047 0.000 0.670 348 A CB -0.356 18.695 19.000 0.086 0.000 0.804 348 A HN 0.453 nan 8.150 nan 0.000 0.453 349 Q N -1.713 118.096 119.800 0.014 0.000 2.403 349 Q HA 0.291 4.631 4.340 -0.000 0.000 0.203 349 Q C 1.078 177.078 176.000 -0.000 0.000 0.932 349 Q CA 0.418 56.223 55.803 0.003 0.000 0.945 349 Q CB 0.290 29.027 28.738 -0.002 0.000 1.045 349 Q HN 0.813 nan 8.270 nan 0.000 0.511 350 G N 0.905 109.705 108.800 0.000 0.000 2.201 350 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.212 350 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.212 350 G C -0.135 174.763 174.900 -0.003 0.000 0.994 350 G CA -0.350 44.748 45.100 -0.004 0.000 0.644 350 G HN 0.341 nan 8.290 nan 0.000 0.508 351 N N 0.675 119.376 118.700 0.001 0.000 3.178 351 N HA 0.517 5.257 4.740 -0.000 0.000 0.300 351 N C -0.479 175.033 175.510 0.004 0.000 1.242 351 N CA 0.179 53.230 53.050 0.002 0.000 1.192 351 N CB 0.743 39.231 38.487 0.002 0.000 1.463 351 N HN 0.474 nan 8.380 nan 0.000 0.539 352 L N -0.486 120.737 121.223 -0.000 0.000 2.410 352 L HA 0.547 4.887 4.340 -0.000 0.000 0.270 352 L C 0.320 177.188 176.870 -0.003 0.000 0.983 352 L CA -0.421 54.419 54.840 -0.000 0.000 0.822 352 L CB 1.804 43.859 42.059 -0.005 0.000 1.285 352 L HN 0.083 nan 8.230 nan 0.000 0.409 353 S N 2.292 117.991 115.700 -0.001 0.000 2.423 353 S HA 0.241 4.711 4.470 -0.000 0.000 0.244 353 S C 0.701 175.297 174.600 -0.007 0.000 1.267 353 S CA 0.410 58.609 58.200 -0.003 0.000 0.988 353 S CB 0.313 63.513 63.200 -0.001 0.000 0.978 353 S HN 0.903 nan 8.310 nan 0.000 0.506 354 N N 0.015 118.711 118.700 -0.007 0.000 2.594 354 N HA 0.159 4.899 4.740 -0.000 0.000 0.237 354 N C -1.624 173.881 175.510 -0.008 0.000 1.057 354 N CA -0.042 53.003 53.050 -0.009 0.000 0.883 354 N CB -0.395 38.086 38.487 -0.010 0.000 1.538 354 N HN 0.284 nan 8.380 nan 0.000 0.451 355 P HA -0.043 nan 4.420 nan 0.000 0.225 355 P C 0.353 177.651 177.300 -0.003 0.000 1.148 355 P CA 1.126 64.223 63.100 -0.005 0.000 0.779 355 P CB 0.114 31.811 31.700 -0.004 0.000 0.780 356 D N -0.171 120.229 120.400 -0.000 0.000 2.103 356 D HA -0.088 4.552 4.640 -0.000 0.000 0.199 356 D C 2.143 178.449 176.300 0.009 0.000 0.978 356 D CA 0.919 54.922 54.000 0.006 0.000 0.829 356 D CB -0.796 40.009 40.800 0.009 0.000 0.981 356 D HN -0.022 nan 8.370 nan 0.000 0.464 357 V N 0.707 120.622 119.914 0.001 0.000 2.407 357 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 357 V C 2.436 178.526 176.094 -0.005 0.000 1.055 357 V CA 1.376 63.674 62.300 -0.004 0.000 1.049 357 V CB -0.467 31.347 31.823 -0.016 0.000 0.662 357 V HN 0.081 nan 8.190 nan 0.000 0.455 358 Q N 0.402 120.198 119.800 -0.007 0.000 2.084 358 Q HA -0.107 4.233 4.340 -0.000 0.000 0.202 358 Q C 2.250 178.247 176.000 -0.005 0.000 0.978 358 Q CA 2.096 57.894 55.803 -0.009 0.000 0.844 358 Q CB -0.669 28.064 28.738 -0.009 0.000 0.898 358 Q HN 0.620 nan 8.270 nan 0.000 0.426 359 A N -0.095 122.725 122.820 -0.000 0.000 1.898 359 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 359 A C 2.223 179.817 177.584 0.018 0.000 1.181 359 A CA 1.744 53.782 52.037 0.002 0.000 0.620 359 A CB -1.017 17.981 19.000 -0.004 0.000 0.819 359 A HN 0.441 nan 8.150 nan 0.000 0.442 360 A N -0.138 122.702 122.820 0.033 0.000 1.877 360 A HA -0.157 4.162 4.320 -0.000 0.000 0.216 360 A C 2.109 179.691 177.584 -0.003 0.000 1.186 360 A CA 1.791 53.872 52.037 0.073 0.000 0.620 360 A CB -0.459 18.596 19.000 0.093 0.000 0.822 360 A HN 0.517 nan 8.150 nan 0.000 0.443 361 K N -0.240 120.147 120.400 -0.023 0.000 2.063 361 K HA -0.183 4.136 4.320 -0.000 0.000 0.208 361 K C 1.774 178.342 176.600 -0.053 0.000 1.048 361 K CA 1.836 58.092 56.287 -0.052 0.000 0.928 361 K CB -0.345 32.133 32.500 -0.037 0.000 0.713 361 K HN 0.646 nan 8.250 nan 0.000 0.442 362 N N 0.359 119.045 118.700 -0.023 0.000 2.244 362 N HA -0.112 4.628 4.740 -0.000 0.000 0.183 362 N C 1.549 177.063 175.510 0.007 0.000 1.016 362 N CA 0.709 53.755 53.050 -0.006 0.000 0.866 362 N CB 0.108 38.598 38.487 0.006 0.000 0.980 362 N HN 0.146 nan 8.380 nan 0.000 0.430 363 K N 0.631 121.041 120.400 0.015 0.000 2.062 363 K HA -0.075 4.245 4.320 -0.000 0.000 0.205 363 K C 1.934 178.482 176.600 -0.087 0.000 1.051 363 K CA 0.663 57.011 56.287 0.102 0.000 0.941 363 K CB -0.173 32.505 32.500 0.296 0.000 0.719 363 K HN 0.071 nan 8.250 nan 0.000 0.440 364 L N 2.139 123.121 121.223 -0.401 0.000 2.046 364 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 364 L C 1.819 178.606 176.870 -0.138 0.000 1.077 364 L CA 1.845 56.379 54.840 -0.511 0.000 0.747 364 L CB -0.206 41.565 42.059 -0.479 0.000 0.896 364 L HN 0.010 nan 8.230 nan 0.000 0.432 365 K N -0.610 119.749 120.400 -0.068 0.000 2.031 365 K HA -0.019 4.301 4.320 -0.000 0.000 0.205 365 K C 2.108 178.750 176.600 0.069 0.000 1.049 365 K CA 1.188 57.488 56.287 0.022 0.000 0.939 365 K CB -0.440 32.066 32.500 0.009 0.000 0.717 365 K HN 0.427 nan 8.250 nan 0.000 0.438 366 A N 1.499 124.346 122.820 0.045 0.000 1.908 366 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 366 A C 2.429 180.050 177.584 0.061 0.000 1.181 366 A CA 2.077 54.148 52.037 0.057 0.000 0.627 366 A CB -1.269 17.769 19.000 0.065 0.000 0.818 366 A HN 0.446 nan 8.150 nan 0.000 0.445 367 G N -2.035 106.806 108.800 0.069 0.000 2.408 367 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 367 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 367 G C 1.542 176.498 174.900 0.094 0.000 1.150 367 G CA 1.223 46.367 45.100 0.074 0.000 0.776 367 G HN 0.588 nan 8.290 nan 0.000 0.542 368 Y N 1.116 121.416 120.300 0.000 0.000 2.163 368 Y HA 0.046 4.595 4.550 -0.000 0.000 0.288 368 Y C 2.526 178.443 175.900 0.029 0.000 1.136 368 Y CA 1.132 59.238 58.100 0.010 0.000 1.147 368 Y CB -0.304 38.151 38.460 -0.008 0.000 0.987 368 Y HN 0.092 nan 8.280 nan 0.000 0.509 369 L N -0.619 120.593 121.223 -0.018 0.000 2.083 369 L HA -0.274 4.066 4.340 -0.000 0.000 0.209 369 L C 2.485 179.296 176.870 -0.097 0.000 1.083 369 L CA 1.696 56.482 54.840 -0.090 0.000 0.752 369 L CB -0.463 41.610 42.059 0.022 0.000 0.899 369 L HN 0.326 nan 8.230 nan 0.000 0.433 370 M N -1.369 118.203 119.600 -0.046 0.000 2.229 370 M HA -0.187 4.293 4.480 -0.000 0.000 0.264 370 M C 2.502 178.771 176.300 -0.051 0.000 1.063 370 M CA 1.277 56.557 55.300 -0.033 0.000 1.114 370 M CB -0.151 32.444 32.600 -0.008 0.000 1.387 370 M HN 0.094 nan 8.290 nan 0.000 0.420 371 S N -0.126 115.524 115.700 -0.083 0.000 2.419 371 S HA -0.061 4.409 4.470 -0.000 0.000 0.233 371 S C 1.301 175.849 174.600 -0.085 0.000 1.016 371 S CA 1.316 59.470 58.200 -0.076 0.000 0.974 371 S CB -0.163 62.994 63.200 -0.071 0.000 0.786 371 S HN 0.429 nan 8.310 nan 0.000 0.492 372 V N -0.906 118.924 119.914 -0.140 0.000 3.043 372 V HA 0.470 4.590 4.120 -0.000 0.000 0.357 372 V C 1.178 177.293 176.094 0.036 0.000 1.372 372 V CA -0.051 62.245 62.300 -0.007 0.000 1.214 372 V CB -0.098 31.734 31.823 0.015 0.000 1.224 372 V HN 0.239 nan 8.190 nan 0.000 0.507 373 E N 2.118 122.313 120.200 -0.008 0.000 2.106 373 E HA -0.042 4.308 4.350 -0.000 0.000 0.192 373 E C 1.375 177.969 176.600 -0.011 0.000 0.984 373 E CA 1.178 57.567 56.400 -0.017 0.000 0.806 373 E CB 0.178 29.868 29.700 -0.016 0.000 0.750 373 E HN 0.890 nan 8.360 nan 0.000 0.458 374 S N -1.603 114.109 115.700 0.019 0.000 2.722 374 S HA 0.296 4.766 4.470 -0.000 0.000 0.292 374 S C 0.982 175.624 174.600 0.071 0.000 1.135 374 S CA -0.500 57.716 58.200 0.026 0.000 1.003 374 S CB 1.820 65.037 63.200 0.028 0.000 1.067 374 S HN 0.003 nan 8.310 nan 0.000 0.546 375 S N 0.579 116.316 115.700 0.060 0.000 2.359 375 S HA -0.164 4.306 4.470 -0.000 0.000 0.224 375 S C 1.730 176.419 174.600 0.148 0.000 1.035 375 S CA 1.605 59.868 58.200 0.106 0.000 1.018 375 S CB -0.657 62.582 63.200 0.065 0.000 0.876 375 S HN 0.868 nan 8.310 nan 0.000 0.448 376 E N 0.562 120.822 120.200 0.100 0.000 2.077 376 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 376 E C 2.172 178.836 176.600 0.106 0.000 0.989 376 E CA 1.128 57.585 56.400 0.095 0.000 0.800 376 E CB -0.364 29.373 29.700 0.062 0.000 0.746 376 E HN 0.531 nan 8.360 nan 0.000 0.452 377 G N -0.033 108.827 108.800 0.099 0.000 2.408 377 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.215 377 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.215 377 G C 1.289 176.248 174.900 0.098 0.000 1.156 377 G CA 0.338 45.486 45.100 0.080 0.000 0.793 377 G HN 0.313 nan 8.290 nan 0.000 0.535 378 F N 0.977 120.923 119.950 -0.006 0.000 2.084 378 F HA 0.068 4.595 4.527 -0.000 0.000 0.296 378 F C 2.300 178.110 175.800 0.016 0.000 1.111 378 F CA 1.182 59.178 58.000 -0.007 0.000 1.224 378 F CB -0.351 38.640 39.000 -0.015 0.000 0.991 378 F HN 0.085 nan 8.300 nan 0.000 0.471 379 L N 0.583 121.859 121.223 0.089 0.000 2.083 379 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 379 L C 2.018 178.884 176.870 -0.007 0.000 1.083 379 L CA 2.315 57.169 54.840 0.023 0.000 0.752 379 L CB -0.833 41.340 42.059 0.189 0.000 0.899 379 L HN 0.271 nan 8.230 nan 0.000 0.433 380 D N -0.990 119.458 120.400 0.080 0.000 2.144 380 D HA -0.248 4.392 4.640 -0.000 0.000 0.200 380 D C 2.059 178.306 176.300 -0.089 0.000 0.978 380 D CA 1.175 55.252 54.000 0.128 0.000 0.833 380 D CB 0.107 41.004 40.800 0.162 0.000 0.961 380 D HN 0.439 nan 8.370 nan 0.000 0.470 381 E N -0.308 119.816 120.200 -0.127 0.000 2.107 381 E HA -0.078 4.272 4.350 -0.000 0.000 0.191 381 E C 2.009 178.485 176.600 -0.206 0.000 0.982 381 E CA 0.965 57.295 56.400 -0.116 0.000 0.809 381 E CB -0.260 29.399 29.700 -0.068 0.000 0.756 381 E HN 0.172 nan 8.360 nan 0.000 0.459 382 V N 0.385 120.064 119.914 -0.391 0.000 2.307 382 V HA -0.132 3.988 4.120 -0.000 0.000 0.245 382 V C 2.327 178.187 176.094 -0.390 0.000 1.045 382 V CA 1.862 63.946 62.300 -0.359 0.000 1.024 382 V CB -1.111 30.369 31.823 -0.570 0.000 0.651 382 V HN 0.505 nan 8.190 nan 0.000 0.449 383 G N -0.259 108.074 108.800 -0.779 0.000 2.446 383 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 383 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 383 G C 1.819 176.234 174.900 -0.809 0.000 1.168 383 G CA 1.256 45.449 45.100 -1.511 0.000 0.771 383 G HN 0.528 nan 8.290 nan 0.000 0.551 384 S N 0.151 115.561 115.700 -0.484 0.000 2.402 384 S HA -0.094 4.376 4.470 -0.000 0.000 0.229 384 S C 2.278 176.835 174.600 -0.072 0.000 1.021 384 S CA 1.110 59.226 58.200 -0.139 0.000 0.974 384 S CB -0.187 62.994 63.200 -0.032 0.000 0.800 384 S HN 0.484 nan 8.310 nan 0.000 0.484 385 Q N 0.615 120.369 119.800 -0.078 0.000 2.119 385 Q HA -0.005 4.335 4.340 -0.000 0.000 0.201 385 Q C 2.532 178.551 176.000 0.032 0.000 0.972 385 Q CA 1.219 57.016 55.803 -0.011 0.000 0.847 385 Q CB -0.325 28.424 28.738 0.019 0.000 0.903 385 Q HN 0.607 nan 8.270 nan 0.000 0.433 386 A N 0.521 123.364 122.820 0.039 0.000 1.902 386 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 386 A C 1.921 179.560 177.584 0.092 0.000 1.181 386 A CA 1.093 53.217 52.037 0.145 0.000 0.623 386 A CB -0.392 18.657 19.000 0.083 0.000 0.818 386 A HN 0.233 nan 8.150 nan 0.000 0.443 387 L N -0.662 120.581 121.223 0.034 0.000 2.023 387 L HA 0.004 4.344 4.340 -0.000 0.000 0.205 387 L C 2.975 179.882 176.870 0.063 0.000 1.073 387 L CA 1.939 56.812 54.840 0.055 0.000 0.745 387 L CB -1.353 40.746 42.059 0.068 0.000 0.900 387 L HN 0.384 nan 8.230 nan 0.000 0.435 388 A N -1.151 121.701 122.820 0.053 0.000 1.873 388 A HA -0.021 4.299 4.320 -0.000 0.000 0.215 388 A C 2.265 179.875 177.584 0.043 0.000 1.186 388 A CA 1.982 54.050 52.037 0.052 0.000 0.616 388 A CB -0.686 18.338 19.000 0.040 0.000 0.823 388 A HN 0.402 nan 8.150 nan 0.000 0.442 389 A N -2.932 119.909 122.820 0.035 0.000 2.108 389 A HA 0.449 4.769 4.320 -0.000 0.000 0.206 389 A C 1.826 179.437 177.584 0.045 0.000 1.212 389 A CA 1.182 53.231 52.037 0.021 0.000 0.843 389 A CB -0.428 18.562 19.000 -0.018 0.000 0.902 389 A HN 1.936 nan 8.150 nan 0.000 0.477 390 G N -0.884 107.977 108.800 0.101 0.000 2.147 390 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.244 390 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.244 390 G C 0.203 175.221 174.900 0.196 0.000 1.005 390 G CA 0.584 45.801 45.100 0.195 0.000 0.713 390 G HN 0.863 nan 8.290 nan 0.000 0.515 391 S N -1.825 113.866 115.700 -0.016 0.000 2.685 391 S HA 0.733 5.203 4.470 -0.000 0.000 0.282 391 S C -1.340 172.982 174.600 -0.464 0.000 1.159 391 S CA -0.596 57.333 58.200 -0.452 0.000 0.833 391 S CB 2.042 65.082 63.200 -0.266 0.000 1.151 391 S HN 0.849 nan 8.310 nan 0.000 0.485 392 Y N 1.308 121.169 120.300 -0.731 0.000 2.326 392 Y HA 0.492 5.042 4.550 -0.000 0.000 0.329 392 Y C -0.836 174.931 175.900 -0.221 0.000 0.973 392 Y CA -0.306 57.572 58.100 -0.370 0.000 1.162 392 Y CB 1.124 39.422 38.460 -0.271 0.000 1.147 392 Y HN 0.498 nan 8.280 nan 0.000 0.456 393 T N 9.049 123.124 114.554 -0.798 0.000 2.743 393 T HA 0.334 4.684 4.350 -0.000 0.000 0.292 393 T C -2.666 171.526 174.700 -0.846 0.000 0.972 393 T CA -1.467 60.249 62.100 -0.640 0.000 0.967 393 T CB 0.985 69.648 68.868 -0.341 0.000 0.926 393 T HN 0.441 nan 8.240 nan 0.000 0.459 394 P HA 0.158 nan 4.420 nan 0.000 0.269 394 P C -1.867 175.375 177.300 -0.097 0.000 1.215 394 P CA -1.431 61.475 63.100 -0.323 0.000 0.780 394 P CB 0.120 31.757 31.700 -0.105 0.000 0.898 395 P HA -0.204 nan 4.420 nan 0.000 0.217 395 P C 1.191 178.540 177.300 0.081 0.000 1.148 395 P CA 1.761 64.969 63.100 0.181 0.000 0.834 395 P CB -0.335 31.476 31.700 0.185 0.000 0.783 396 S N -1.054 114.666 115.700 0.034 0.000 2.368 396 S HA -0.171 4.299 4.470 -0.000 0.000 0.225 396 S C 2.067 176.653 174.600 -0.023 0.000 1.030 396 S CA 1.981 60.187 58.200 0.009 0.000 0.999 396 S CB -1.741 61.462 63.200 0.005 0.000 0.844 396 S HN 0.337 nan 8.310 nan 0.000 0.459 397 T N 0.835 115.357 114.554 -0.053 0.000 3.043 397 T HA 0.104 4.453 4.350 -0.000 0.000 0.263 397 T C 1.694 176.333 174.700 -0.100 0.000 1.094 397 T CA 0.644 62.697 62.100 -0.078 0.000 1.127 397 T CB -0.424 68.387 68.868 -0.095 0.000 0.905 397 T HN 0.161 nan 8.240 nan 0.000 0.490 398 V N 1.552 121.396 119.914 -0.116 0.000 2.358 398 V HA 0.009 4.129 4.120 -0.000 0.000 0.246 398 V C 2.735 178.741 176.094 -0.146 0.000 1.047 398 V CA 1.412 63.600 62.300 -0.187 0.000 1.035 398 V CB -0.545 31.090 31.823 -0.312 0.000 0.658 398 V HN 0.504 nan 8.190 nan 0.000 0.452 399 L N -0.214 120.965 121.223 -0.072 0.000 2.083 399 L HA -0.240 4.100 4.340 -0.000 0.000 0.209 399 L C 2.587 179.425 176.870 -0.053 0.000 1.083 399 L CA 2.001 56.814 54.840 -0.045 0.000 0.752 399 L CB -0.627 41.432 42.059 -0.001 0.000 0.899 399 L HN 0.468 nan 8.230 nan 0.000 0.433 400 Q N 0.253 120.021 119.800 -0.054 0.000 2.079 400 Q HA -0.252 4.088 4.340 -0.000 0.000 0.200 400 Q C 2.160 178.123 176.000 -0.062 0.000 0.974 400 Q CA 1.574 57.346 55.803 -0.051 0.000 0.840 400 Q CB 0.024 28.734 28.738 -0.048 0.000 0.898 400 Q HN 0.506 nan 8.270 nan 0.000 0.430 401 Q N 0.016 119.768 119.800 -0.081 0.000 2.170 401 Q HA -0.116 4.224 4.340 -0.000 0.000 0.203 401 Q C 2.006 177.956 176.000 -0.083 0.000 0.976 401 Q CA 1.389 57.141 55.803 -0.085 0.000 0.858 401 Q CB 0.024 28.698 28.738 -0.107 0.000 0.907 401 Q HN 0.477 nan 8.270 nan 0.000 0.433 402 I N 0.591 121.105 120.570 -0.092 0.000 2.286 402 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 402 I C 1.540 177.617 176.117 -0.066 0.000 1.104 402 I CA 0.872 62.120 61.300 -0.087 0.000 1.397 402 I CB -0.094 37.847 38.000 -0.097 0.000 1.072 402 I HN 0.131 nan 8.210 nan 0.000 0.417 403 D N 1.047 121.413 120.400 -0.056 0.000 2.178 403 D HA -0.128 4.512 4.640 -0.000 0.000 0.201 403 D C 2.200 178.474 176.300 -0.043 0.000 0.980 403 D CA 1.369 55.343 54.000 -0.045 0.000 0.842 403 D CB -0.001 40.777 40.800 -0.036 0.000 0.948 403 D HN 0.343 nan 8.370 nan 0.000 0.472 404 A N 0.606 123.398 122.820 -0.047 0.000 2.067 404 A HA -0.037 4.283 4.320 -0.000 0.000 0.219 404 A C 1.278 178.834 177.584 -0.046 0.000 1.158 404 A CA 0.198 52.209 52.037 -0.043 0.000 0.661 404 A CB -0.161 18.813 19.000 -0.044 0.000 0.801 404 A HN 0.062 nan 8.150 nan 0.000 0.452 405 V N 1.145 121.027 119.914 -0.053 0.000 2.458 405 V HA 0.298 4.418 4.120 -0.000 0.000 0.287 405 V C 0.874 176.936 176.094 -0.054 0.000 1.009 405 V CA 0.053 62.318 62.300 -0.059 0.000 1.091 405 V CB -0.290 31.493 31.823 -0.067 0.000 0.960 405 V HN 0.529 nan 8.190 nan 0.000 0.476 406 A N 3.993 126.780 122.820 -0.054 0.000 2.264 406 A HA 0.458 4.778 4.320 -0.000 0.000 0.304 406 A C 1.024 178.575 177.584 -0.055 0.000 1.100 406 A CA -0.529 51.480 52.037 -0.048 0.000 0.839 406 A CB 0.342 19.316 19.000 -0.042 0.000 1.121 406 A HN 0.777 nan 8.150 nan 0.000 0.496 407 D N 0.751 121.124 120.400 -0.045 0.000 2.133 407 D HA -0.138 4.502 4.640 -0.000 0.000 0.195 407 D C 2.043 178.310 176.300 -0.055 0.000 0.997 407 D CA 2.175 56.148 54.000 -0.045 0.000 0.840 407 D CB -0.309 40.471 40.800 -0.032 0.000 0.947 407 D HN 0.611 nan 8.370 nan 0.000 0.452 408 A N 0.769 123.558 122.820 -0.051 0.000 2.015 408 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 408 A C 1.704 179.242 177.584 -0.076 0.000 1.163 408 A CA 1.415 53.419 52.037 -0.054 0.000 0.646 408 A CB -0.222 18.753 19.000 -0.041 0.000 0.806 408 A HN 0.077 nan 8.150 nan 0.000 0.448 409 D N -0.095 120.252 120.400 -0.087 0.000 2.117 409 D HA -0.088 4.552 4.640 -0.000 0.000 0.198 409 D C 2.105 178.293 176.300 -0.187 0.000 0.982 409 D CA 1.444 55.372 54.000 -0.120 0.000 0.828 409 D CB -0.334 40.402 40.800 -0.108 0.000 0.967 409 D HN 0.258 nan 8.370 nan 0.000 0.464 410 V N 1.574 121.388 119.914 -0.167 0.000 2.295 410 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 410 V C 2.607 178.588 176.094 -0.189 0.000 1.049 410 V CA 1.139 63.317 62.300 -0.203 0.000 1.024 410 V CB -0.435 31.313 31.823 -0.125 0.000 0.648 410 V HN 0.118 nan 8.190 nan 0.000 0.447 411 I N 0.643 121.144 120.570 -0.116 0.000 2.151 411 I HA -0.273 3.897 4.170 -0.000 0.000 0.243 411 I C 2.420 178.481 176.117 -0.094 0.000 1.080 411 I CA 1.686 62.938 61.300 -0.079 0.000 1.339 411 I CB -0.561 37.410 38.000 -0.049 0.000 1.039 411 I HN 0.354 nan 8.210 nan 0.000 0.409 412 N N 0.929 119.560 118.700 -0.115 0.000 2.149 412 N HA -0.159 4.581 4.740 -0.000 0.000 0.188 412 N C 1.879 177.287 175.510 -0.170 0.000 1.019 412 N CA 1.647 54.632 53.050 -0.108 0.000 0.857 412 N CB -0.450 37.981 38.487 -0.094 0.000 0.997 412 N HN 0.410 nan 8.380 nan 0.000 0.426 413 A N 1.027 123.618 122.820 -0.381 0.000 1.902 413 A HA 0.031 4.351 4.320 -0.000 0.000 0.217 413 A C 2.396 179.767 177.584 -0.355 0.000 1.181 413 A CA 1.906 53.473 52.037 -0.783 0.000 0.623 413 A CB -0.839 17.183 19.000 -1.629 0.000 0.818 413 A HN 0.314 nan 8.150 nan 0.000 0.443 414 A N -0.312 122.389 122.820 -0.199 0.000 1.908 414 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 414 A C 2.143 179.845 177.584 0.197 0.000 1.181 414 A CA 2.028 54.111 52.037 0.076 0.000 0.627 414 A CB -0.475 18.558 19.000 0.055 0.000 0.818 414 A HN 0.530 nan 8.150 nan 0.000 0.445 415 K N -0.316 120.135 120.400 0.085 0.000 2.147 415 K HA -0.169 4.151 4.320 -0.000 0.000 0.205 415 K C 2.094 178.771 176.600 0.128 0.000 1.049 415 K CA 1.706 58.049 56.287 0.093 0.000 0.936 415 K CB -0.119 32.402 32.500 0.035 0.000 0.722 415 K HN 0.473 nan 8.250 nan 0.000 0.446 416 K N -0.225 120.266 120.400 0.152 0.000 2.103 416 K HA -0.136 4.183 4.320 -0.000 0.000 0.204 416 K C 1.876 178.650 176.600 0.289 0.000 1.052 416 K CA 1.009 57.419 56.287 0.204 0.000 0.945 416 K CB -0.193 32.468 32.500 0.269 0.000 0.722 416 K HN 0.103 nan 8.250 nan 0.000 0.443 417 F N 0.747 120.866 119.950 0.281 0.000 2.113 417 F HA -0.148 4.379 4.527 -0.000 0.000 0.297 417 F C 1.640 177.602 175.800 0.271 0.000 1.103 417 F CA 1.202 59.403 58.000 0.335 0.000 1.248 417 F CB -0.445 38.867 39.000 0.519 0.000 0.999 417 F HN -0.210 nan 8.300 nan 0.000 0.475 418 V N 0.376 120.404 119.914 0.190 0.000 2.392 418 V HA -0.286 3.834 4.120 -0.000 0.000 0.249 418 V C 2.269 178.362 176.094 -0.002 0.000 1.059 418 V CA 2.195 64.544 62.300 0.081 0.000 1.051 418 V CB -1.043 30.877 31.823 0.162 0.000 0.658 418 V HN 0.614 nan 8.190 nan 0.000 0.455 419 S N -0.926 114.780 115.700 0.009 0.000 2.539 419 S HA 0.308 4.778 4.470 -0.000 0.000 0.221 419 S C 0.934 175.521 174.600 -0.022 0.000 0.987 419 S CA 0.202 58.403 58.200 0.000 0.000 0.929 419 S CB 0.368 63.580 63.200 0.020 0.000 0.832 419 S HN 0.504 nan 8.310 nan 0.000 0.492 420 G N 1.302 110.070 108.800 -0.054 0.000 2.507 420 G HA2 0.465 4.425 3.960 -0.000 0.000 0.271 420 G HA3 0.465 4.425 3.960 -0.000 0.000 0.271 420 G C -0.481 174.374 174.900 -0.075 0.000 1.189 420 G CA -1.038 44.026 45.100 -0.060 0.000 0.859 420 G HN 0.434 nan 8.290 nan 0.000 0.542 421 R N 0.543 121.030 120.500 -0.023 0.000 2.522 421 R HA 0.169 4.509 4.340 -0.000 0.000 0.284 421 R C -0.013 176.309 176.300 0.038 0.000 1.032 421 R CA 0.043 56.152 56.100 0.015 0.000 1.049 421 R CB 0.295 30.640 30.300 0.073 0.000 0.956 421 R HN 0.323 nan 8.270 nan 0.000 0.422 422 K N 1.038 121.411 120.400 -0.046 0.000 2.090 422 K HA 0.327 4.647 4.320 -0.000 0.000 0.250 422 K C -0.884 175.671 176.600 -0.075 0.000 1.004 422 K CA -0.157 56.082 56.287 -0.079 0.000 0.919 422 K CB 1.813 34.197 32.500 -0.194 0.000 1.045 422 K HN 0.457 nan 8.250 nan 0.000 0.471 423 S N 1.024 116.670 115.700 -0.090 0.000 2.547 423 S HA 0.652 5.122 4.470 -0.000 0.000 0.281 423 S C -1.350 173.144 174.600 -0.178 0.000 1.118 423 S CA -0.926 57.178 58.200 -0.159 0.000 0.947 423 S CB 1.051 64.141 63.200 -0.182 0.000 1.053 423 S HN 0.629 nan 8.310 nan 0.000 0.482 424 M N 2.390 121.882 119.600 -0.180 0.000 2.421 424 M HA 0.893 5.373 4.480 -0.000 0.000 0.287 424 M C -1.989 174.208 176.300 -0.172 0.000 1.183 424 M CA -0.674 54.508 55.300 -0.198 0.000 0.916 424 M CB 1.805 34.282 32.600 -0.205 0.000 1.701 424 M HN 0.645 nan 8.290 nan 0.000 0.470 425 A N 2.766 125.472 122.820 -0.190 0.000 2.401 425 A HA 1.052 5.372 4.320 -0.000 0.000 0.310 425 A C -1.312 176.169 177.584 -0.172 0.000 1.075 425 A CA -0.267 51.683 52.037 -0.146 0.000 0.746 425 A CB 1.806 20.741 19.000 -0.107 0.000 1.277 425 A HN 1.619 nan 8.150 nan 0.000 0.425 426 A N 0.868 123.605 122.820 -0.138 0.000 2.547 426 A HA 0.838 5.158 4.320 -0.000 0.000 0.297 426 A C -0.445 177.079 177.584 -0.100 0.000 1.056 426 A CA 0.179 52.133 52.037 -0.139 0.000 0.688 426 A CB 1.235 20.135 19.000 -0.167 0.000 1.282 426 A HN 2.274 nan 8.150 nan 0.000 0.400 427 S N 0.708 116.364 115.700 -0.073 0.000 2.549 427 S HA 0.992 5.462 4.470 -0.000 0.000 0.280 427 S C 0.069 174.642 174.600 -0.045 0.000 1.109 427 S CA 0.112 58.264 58.200 -0.080 0.000 0.905 427 S CB 1.537 64.660 63.200 -0.129 0.000 1.081 427 S HN 2.831 nan 8.310 nan 0.000 0.477 428 G N 1.650 110.417 108.800 -0.055 0.000 2.293 428 G HA2 0.041 4.001 3.960 -0.000 0.000 0.282 428 G HA3 0.041 4.001 3.960 -0.000 0.000 0.282 428 G C -1.494 173.389 174.900 -0.027 0.000 1.299 428 G CA -0.783 44.303 45.100 -0.024 0.000 1.018 428 G HN 0.927 nan 8.290 nan 0.000 0.478 429 N N 1.184 119.879 118.700 -0.008 0.000 2.415 429 N HA 0.303 5.043 4.740 -0.000 0.000 0.250 429 N C 1.295 176.802 175.510 -0.005 0.000 1.127 429 N CA -0.314 52.734 53.050 -0.003 0.000 0.945 429 N CB 0.315 38.813 38.487 0.018 0.000 1.196 429 N HN 0.479 nan 8.380 nan 0.000 0.499 430 L N 2.274 123.474 121.223 -0.038 0.000 2.627 430 L HA 0.192 4.532 4.340 -0.000 0.000 0.232 430 L C 2.081 178.903 176.870 -0.080 0.000 1.150 430 L CA -0.112 54.684 54.840 -0.073 0.000 0.917 430 L CB -0.187 41.794 42.059 -0.130 0.000 1.104 430 L HN 0.512 nan 8.230 nan 0.000 0.445 431 G N -0.566 108.202 108.800 -0.052 0.000 2.516 431 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.221 431 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.221 431 G C 0.803 175.499 174.900 -0.340 0.000 1.107 431 G CA 0.699 45.706 45.100 -0.156 0.000 0.747 431 G HN 0.533 nan 8.290 nan 0.000 0.567 432 H N -1.356 117.690 119.070 -0.040 0.000 2.649 432 H HA 0.289 4.845 4.556 -0.000 0.000 0.258 432 H C -0.202 175.092 175.328 -0.057 0.000 1.165 432 H CA -0.313 55.714 56.048 -0.034 0.000 1.006 432 H CB 0.710 30.456 29.762 -0.027 0.000 1.743 432 H HN 0.043 nan 8.280 nan 0.000 0.609 433 T N 4.641 119.178 114.554 -0.028 0.000 2.744 433 T HA 0.203 4.553 4.350 -0.000 0.000 0.291 433 T C -2.318 172.285 174.700 -0.161 0.000 0.957 433 T CA -1.425 60.620 62.100 -0.093 0.000 1.002 433 T CB 1.384 70.165 68.868 -0.145 0.000 0.919 433 T HN 0.150 nan 8.240 nan 0.000 0.468 434 P HA 0.191 nan 4.420 nan 0.000 0.272 434 P C -0.175 177.047 177.300 -0.131 0.000 1.223 434 P CA -0.398 62.675 63.100 -0.045 0.000 0.784 434 P CB 0.733 32.444 31.700 0.019 0.000 0.923 435 F N 0.966 120.896 119.950 -0.034 0.000 2.692 435 F HA 0.192 4.719 4.527 -0.000 0.000 0.303 435 F C 1.899 177.663 175.800 -0.060 0.000 1.114 435 F CA 0.304 58.275 58.000 -0.048 0.000 1.361 435 F CB -0.355 38.620 39.000 -0.042 0.000 1.063 435 F HN 0.270 nan 8.300 nan 0.000 0.550 436 I N -2.015 118.608 120.570 0.089 0.000 4.665 436 I HA -0.509 3.661 4.170 -0.000 0.000 0.045 436 I C 1.775 177.919 176.117 0.046 0.000 0.626 436 I CA 1.250 62.559 61.300 0.016 0.000 0.809 436 I CB -0.920 37.074 38.000 -0.011 0.000 0.743 436 I HN -0.052 nan 8.210 nan 0.000 0.157 437 D N 1.335 121.779 120.400 0.072 0.000 2.191 437 D HA -0.211 4.429 4.640 -0.000 0.000 0.190 437 D C 1.491 177.828 176.300 0.061 0.000 1.007 437 D CA 2.379 56.406 54.000 0.045 0.000 0.865 437 D CB -0.191 40.625 40.800 0.028 0.000 0.929 437 D HN 0.653 nan 8.370 nan 0.000 0.447 438 E N -0.482 119.774 120.200 0.094 0.000 2.437 438 E HA 0.149 4.499 4.350 -0.000 0.000 0.189 438 E C 0.535 177.195 176.600 0.100 0.000 1.054 438 E CA -0.294 56.161 56.400 0.092 0.000 0.874 438 E CB 0.560 30.328 29.700 0.113 0.000 1.011 438 E HN 0.282 nan 8.360 nan 0.000 0.474 439 L N 0.000 121.290 121.223 0.112 0.000 2.949 439 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 439 L CA 0.000 54.950 54.840 0.184 0.000 0.813 439 L CB 0.000 42.122 42.059 0.105 0.000 0.961 439 L HN 0.000 nan 8.230 nan 0.000 0.502