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 3lnp_1_A DATA FIRST_RESID 17 DATA SEQUENCE AHADLRINSH WIIPIENTXX XXXVSNILID HCLLIKDGII LAIEPQSSCQ DATA SEQUENCE IPATETLDLG QQVLXPGWVN AHGHAAXSLF RXGLADDLPL XTWLQEHVWP DATA SEQUENCE AEAQHVDEHF VKQGTELAIA EXIQSGTTTF ADXYFYPQQS GEAALAAGIR DATA SEQUENCE AVCFAPVLDF PTNYAQNADE YIRKAIECND RFNNHPXNEQ GLVQIGFGPH DATA SEQUENCE APYTVSDEPL KEITXLSDQL DXPVQIHLHE TDFEVSESLE TFNKRPTQRL DATA SEQUENCE ADIGFLNERV SCVHXTQVDD GDIKILQKTG ASIIHCPESN LKLASGFCPI DATA SEQUENCE AKLSAANIPL AIGTDGAASN NDLDXFSETK TAALLAKGVS QDASAIPAIE DATA SEQUENCE ALTXATLGGA RALGIDDITG SLKPGKAADI QAIDLNTLSS QPVFDPVSHX DATA SEQUENCE VYCTKSTQVS HVWVNGRCLL KNGELTTLNE ETLINHAKAW ASAIRTP 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 A HA 0.000 nan 4.320 nan 0.000 0.244 17 A C 0.000 177.630 177.584 0.077 0.000 1.274 17 A CA 0.000 52.064 52.037 0.045 0.000 0.836 17 A CB 0.000 19.015 19.000 0.025 0.000 0.831 18 H N 1.152 120.214 119.070 -0.013 0.000 2.290 18 H HA 0.155 4.661 4.556 -0.083 0.000 0.298 18 H C 1.130 176.447 175.328 -0.018 0.000 1.087 18 H CA 2.769 58.808 56.048 -0.015 0.000 1.291 18 H CB 0.021 29.774 29.762 -0.016 0.000 1.369 18 H HN 1.061 nan 8.280 nan 0.000 0.492 19 A N 0.185 122.941 122.820 -0.105 0.000 2.331 19 A HA 0.163 4.433 4.320 -0.083 0.000 0.283 19 A C 0.875 178.400 177.584 -0.098 0.000 1.142 19 A CA -0.073 51.863 52.037 -0.168 0.000 0.812 19 A CB 0.454 19.383 19.000 -0.118 0.000 1.074 19 A HN 0.509 nan 8.150 nan 0.000 0.497 20 D N 0.155 120.492 120.400 -0.105 0.000 2.123 20 D HA 0.028 4.619 4.640 -0.083 0.000 0.200 20 D C 0.132 176.397 176.300 -0.059 0.000 0.976 20 D CA 1.516 55.478 54.000 -0.064 0.000 0.831 20 D CB 0.018 40.784 40.800 -0.056 0.000 0.974 20 D HN 0.367 nan 8.370 nan 0.000 0.469 21 L N -0.448 120.719 121.223 -0.094 0.000 2.455 21 L HA 0.376 4.666 4.340 -0.083 0.000 0.264 21 L C -1.062 175.727 176.870 -0.136 0.000 0.968 21 L CA -0.750 54.026 54.840 -0.107 0.000 0.827 21 L CB 2.271 44.245 42.059 -0.142 0.000 1.317 21 L HN -0.273 nan 8.230 nan 0.000 0.407 22 R N 5.350 125.781 120.500 -0.114 0.000 2.437 22 R HA 0.730 5.020 4.340 -0.083 0.000 0.310 22 R C -1.607 174.611 176.300 -0.136 0.000 0.955 22 R CA -0.534 55.496 56.100 -0.117 0.000 0.851 22 R CB 0.995 31.250 30.300 -0.076 0.000 1.161 22 R HN 0.765 nan 8.270 nan 0.000 0.446 23 I N 4.215 124.678 120.570 -0.178 0.000 2.362 23 I HA 0.285 4.405 4.170 -0.083 0.000 0.289 23 I C -0.475 175.577 176.117 -0.108 0.000 0.994 23 I CA -1.023 60.169 61.300 -0.179 0.000 1.158 23 I CB 1.678 39.485 38.000 -0.321 0.000 1.315 23 I HN 0.508 nan 8.210 nan 0.000 0.451 24 N N 5.181 123.839 118.700 -0.070 0.000 2.438 24 N HA 0.479 5.170 4.740 -0.083 0.000 0.282 24 N C -0.695 174.802 175.510 -0.021 0.000 1.037 24 N CA -0.260 52.764 53.050 -0.042 0.000 0.942 24 N CB 2.070 40.535 38.487 -0.038 0.000 1.136 24 N HN 0.727 nan 8.380 nan 0.000 0.481 25 S N -0.023 115.675 115.700 -0.003 0.000 2.556 25 S HA 0.207 4.628 4.470 -0.083 0.000 0.271 25 S C 0.511 175.116 174.600 0.009 0.000 1.135 25 S CA -0.647 57.568 58.200 0.025 0.000 0.858 25 S CB 1.896 65.133 63.200 0.063 0.000 1.114 25 S HN 0.656 nan 8.310 nan 0.000 0.468 26 H N 1.444 120.410 119.070 -0.173 0.000 2.387 26 H HA 0.208 4.714 4.556 -0.083 0.000 0.299 26 H C -0.327 174.739 175.328 -0.436 0.000 1.090 26 H CA 1.741 57.532 56.048 -0.429 0.000 1.332 26 H CB 0.213 29.492 29.762 -0.805 0.000 1.386 26 H HN 0.579 nan 8.280 nan 0.000 0.516 27 W N 0.310 121.573 121.300 -0.062 0.000 2.736 27 W HA 0.502 5.113 4.660 -0.081 0.000 0.335 27 W C -0.951 175.531 176.519 -0.062 0.000 1.059 27 W CA -0.952 56.319 57.345 -0.123 0.000 1.226 27 W CB 1.059 30.467 29.460 -0.088 0.000 1.416 27 W HN -0.159 nan 8.180 nan 0.000 0.505 28 I N 4.127 124.779 120.570 0.137 0.000 2.499 28 I HA 0.337 4.457 4.170 -0.083 0.000 0.288 28 I C -0.404 175.720 176.117 0.011 0.000 1.048 28 I CA -0.891 60.440 61.300 0.051 0.000 1.062 28 I CB 2.081 40.077 38.000 -0.006 0.000 1.238 28 I HN 0.139 nan 8.210 nan 0.000 0.426 29 I N 8.265 128.833 120.570 -0.004 0.000 2.347 29 I HA 0.245 4.366 4.170 -0.083 0.000 0.283 29 I C -1.571 174.517 176.117 -0.048 0.000 1.058 29 I CA -1.453 59.827 61.300 -0.034 0.000 1.202 29 I CB 1.059 39.032 38.000 -0.044 0.000 1.386 29 I HN 0.371 nan 8.210 nan 0.000 0.475 30 P HA 0.001 nan 4.420 nan 0.000 0.231 30 P C 1.234 178.508 177.300 -0.043 0.000 1.168 30 P CA 0.553 63.623 63.100 -0.050 0.000 0.779 30 P CB 0.691 32.359 31.700 -0.053 0.000 0.844 31 I N -2.875 117.671 120.570 -0.039 0.000 4.300 31 I HA -0.291 3.830 4.170 -0.083 0.000 0.079 31 I C 0.289 176.393 176.117 -0.021 0.000 0.562 31 I CA 1.369 62.652 61.300 -0.028 0.000 1.126 31 I CB -1.826 36.158 38.000 -0.028 0.000 1.002 31 I HN 0.180 nan 8.210 nan 0.000 0.174 32 E N 2.108 122.295 120.200 -0.023 0.000 2.145 32 E HA 0.245 4.545 4.350 -0.083 0.000 0.270 32 E C 0.170 176.756 176.600 -0.024 0.000 0.906 32 E CA -0.557 55.831 56.400 -0.019 0.000 0.761 32 E CB 1.366 31.057 29.700 -0.015 0.000 1.116 32 E HN 0.244 nan 8.360 nan 0.000 0.408 33 N N 2.724 121.411 118.700 -0.022 0.000 2.518 33 N HA 0.089 4.779 4.740 -0.083 0.000 0.266 33 N C -0.719 174.780 175.510 -0.018 0.000 1.196 33 N CA 0.365 53.401 53.050 -0.024 0.000 0.947 33 N CB 0.967 39.442 38.487 -0.021 0.000 1.098 33 N HN 0.509 nan 8.380 nan 0.000 0.450 41 S N 1.493 117.189 115.700 -0.008 0.000 2.610 41 S HA 0.382 4.802 4.470 -0.083 0.000 0.273 41 S C 0.973 175.562 174.600 -0.018 0.000 1.274 41 S CA -0.467 57.729 58.200 -0.007 0.000 1.023 41 S CB 1.054 64.253 63.200 -0.002 0.000 0.962 41 S HN 0.456 nan 8.310 nan 0.000 0.523 42 N N 0.968 119.660 118.700 -0.014 0.000 2.449 42 N HA 0.212 4.902 4.740 -0.083 0.000 0.191 42 N C -0.244 175.247 175.510 -0.031 0.000 1.161 42 N CA 0.354 53.392 53.050 -0.021 0.000 0.863 42 N CB -0.007 38.472 38.487 -0.014 0.000 0.980 42 N HN 0.532 nan 8.380 nan 0.000 0.458 43 I N 0.127 120.679 120.570 -0.031 0.000 2.913 43 I HA 0.319 4.439 4.170 -0.083 0.000 0.302 43 I C -1.657 174.429 176.117 -0.052 0.000 1.246 43 I CA -0.804 60.482 61.300 -0.024 0.000 1.010 43 I CB 2.081 40.083 38.000 0.004 0.000 1.259 43 I HN -0.278 nan 8.210 nan 0.000 0.434 44 L N 6.752 127.924 121.223 -0.085 0.000 2.346 44 L HA 0.565 4.856 4.340 -0.083 0.000 0.276 44 L C -0.971 175.840 176.870 -0.097 0.000 1.006 44 L CA -0.914 53.781 54.840 -0.242 0.000 0.817 44 L CB 1.864 43.565 42.059 -0.597 0.000 1.272 44 L HN 0.345 nan 8.230 nan 0.000 0.421 45 I N 2.180 122.728 120.570 -0.036 0.000 2.359 45 I HA 0.213 4.333 4.170 -0.083 0.000 0.294 45 I C -0.020 176.134 176.117 0.062 0.000 0.987 45 I CA -0.289 60.949 61.300 -0.103 0.000 1.225 45 I CB 1.205 39.148 38.000 -0.093 0.000 1.366 45 I HN 0.657 nan 8.210 nan 0.000 0.466 46 D N 3.846 124.198 120.400 -0.080 0.000 2.686 46 D HA -0.224 4.366 4.640 -0.083 0.000 0.235 46 D C 0.099 176.423 176.300 0.041 0.000 1.160 46 D CA 1.124 55.129 54.000 0.009 0.000 0.645 46 D CB -0.884 39.921 40.800 0.007 0.000 1.039 46 D HN 0.578 nan 8.370 nan 0.000 0.423 47 H N -1.049 117.980 119.070 -0.069 0.000 2.585 47 H HA 0.731 5.237 4.556 -0.082 0.000 0.338 47 H C 0.763 176.059 175.328 -0.053 0.000 1.295 47 H CA -0.164 55.853 56.048 -0.051 0.000 1.356 47 H CB 1.202 30.938 29.762 -0.043 0.000 1.736 47 H HN 0.390 nan 8.280 nan 0.000 0.629 48 C N 0.259 119.593 119.300 0.056 0.000 3.080 48 C HA 0.750 5.160 4.460 -0.083 0.000 0.307 48 C C -1.138 173.840 174.990 -0.021 0.000 1.311 48 C CA -1.078 57.934 59.018 -0.010 0.000 1.533 48 C CB 0.575 28.287 27.740 -0.047 0.000 1.970 48 C HN 0.654 nan 8.230 nan 0.000 0.467 49 L N 1.571 122.749 121.223 -0.075 0.000 2.333 49 L HA 0.781 5.072 4.340 -0.083 0.000 0.280 49 L C -0.917 175.873 176.870 -0.133 0.000 1.004 49 L CA -0.733 54.045 54.840 -0.104 0.000 0.820 49 L CB 1.156 43.124 42.059 -0.152 0.000 1.247 49 L HN 0.820 nan 8.230 nan 0.000 0.416 50 L N 6.426 127.584 121.223 -0.109 0.000 2.296 50 L HA 0.577 4.867 4.340 -0.083 0.000 0.286 50 L C -0.591 176.197 176.870 -0.136 0.000 1.023 50 L CA -0.206 54.564 54.840 -0.116 0.000 0.812 50 L CB 1.515 43.526 42.059 -0.080 0.000 1.223 50 L HN 0.529 nan 8.230 nan 0.000 0.421 51 I N 3.611 124.085 120.570 -0.161 0.000 2.509 51 I HA 0.485 4.605 4.170 -0.083 0.000 0.293 51 I C -0.436 175.590 176.117 -0.151 0.000 1.020 51 I CA -0.647 60.557 61.300 -0.160 0.000 1.088 51 I CB 2.141 40.021 38.000 -0.200 0.000 1.267 51 I HN 0.519 nan 8.210 nan 0.000 0.430 52 K N 4.977 125.292 120.400 -0.142 0.000 2.513 52 K HA 0.260 4.530 4.320 -0.083 0.000 0.251 52 K C -1.103 175.442 176.600 -0.092 0.000 0.939 52 K CA -0.446 55.754 56.287 -0.145 0.000 0.793 52 K CB 1.309 33.660 32.500 -0.248 0.000 1.241 52 K HN 0.599 nan 8.250 nan 0.000 0.431 53 D N 3.194 123.556 120.400 -0.062 0.000 2.701 53 D HA -0.192 4.398 4.640 -0.083 0.000 0.235 53 D C 0.637 176.923 176.300 -0.023 0.000 1.155 53 D CA 1.983 55.964 54.000 -0.031 0.000 0.649 53 D CB -1.209 39.576 40.800 -0.026 0.000 1.050 53 D HN 1.094 nan 8.370 nan 0.000 0.425 54 G N -1.234 107.552 108.800 -0.024 0.000 2.168 54 G HA2 -0.303 3.608 3.960 -0.083 0.000 0.263 54 G HA3 -0.303 3.608 3.960 -0.083 0.000 0.263 54 G C 0.265 175.150 174.900 -0.026 0.000 0.977 54 G CA 0.425 45.518 45.100 -0.011 0.000 0.659 54 G HN 0.504 nan 8.290 nan 0.000 0.533 55 I N 0.811 121.354 120.570 -0.046 0.000 2.530 55 I HA 0.418 4.539 4.170 -0.083 0.000 0.297 55 I C 0.857 176.932 176.117 -0.069 0.000 1.011 55 I CA -1.472 59.800 61.300 -0.047 0.000 1.107 55 I CB 1.673 39.650 38.000 -0.039 0.000 1.285 55 I HN -0.039 nan 8.210 nan 0.000 0.436 56 I N 6.056 126.589 120.570 -0.062 0.000 2.494 56 I HA 0.009 4.130 4.170 -0.083 0.000 0.289 56 I C 1.429 177.510 176.117 -0.059 0.000 1.106 56 I CA 0.126 61.383 61.300 -0.072 0.000 1.369 56 I CB 0.573 38.537 38.000 -0.061 0.000 1.410 56 I HN 0.508 nan 8.210 nan 0.000 0.523 57 L N 6.301 127.480 121.223 -0.073 0.000 2.068 57 L HA 0.124 4.415 4.340 -0.083 0.000 0.204 57 L C 0.978 177.832 176.870 -0.028 0.000 1.076 57 L CA 0.779 55.586 54.840 -0.055 0.000 0.753 57 L CB -0.028 41.978 42.059 -0.088 0.000 0.910 57 L HN 0.797 nan 8.230 nan 0.000 0.439 58 A N -0.836 121.963 122.820 -0.035 0.000 2.597 58 A HA 0.636 4.907 4.320 -0.083 0.000 0.292 58 A C -1.480 176.094 177.584 -0.017 0.000 1.057 58 A CA -0.504 51.523 52.037 -0.016 0.000 0.674 58 A CB 1.087 20.085 19.000 -0.003 0.000 1.278 58 A HN 0.020 nan 8.150 nan 0.000 0.416 59 I N 1.629 122.204 120.570 0.008 0.000 2.439 59 I HA 0.460 4.581 4.170 -0.083 0.000 0.285 59 I C -0.646 175.533 176.117 0.103 0.000 1.021 59 I CA -0.211 61.113 61.300 0.039 0.000 1.091 59 I CB 1.751 39.768 38.000 0.028 0.000 1.242 59 I HN 0.668 nan 8.210 nan 0.000 0.439 60 E N 6.330 126.582 120.200 0.087 0.000 2.408 60 E HA 0.444 4.744 4.350 -0.083 0.000 0.275 60 E C -2.776 173.671 176.600 -0.255 0.000 0.935 60 E CA -2.231 54.170 56.400 0.002 0.000 0.775 60 E CB 2.128 31.804 29.700 -0.040 0.000 1.277 60 E HN 0.136 nan 8.360 nan 0.000 0.455 61 P HA -0.016 nan 4.420 nan 0.000 0.265 61 P C 0.309 177.424 177.300 -0.308 0.000 1.193 61 P CA 0.471 63.140 63.100 -0.718 0.000 0.765 61 P CB 0.540 31.959 31.700 -0.468 0.000 0.823 62 Q N 1.654 121.317 119.800 -0.228 0.000 2.124 62 Q HA -0.159 4.132 4.340 -0.083 0.000 0.202 62 Q C 1.990 177.929 176.000 -0.100 0.000 0.977 62 Q CA 2.092 57.822 55.803 -0.123 0.000 0.850 62 Q CB -0.380 28.308 28.738 -0.085 0.000 0.901 62 Q HN 0.607 nan 8.270 nan 0.000 0.429 63 S N 0.237 115.873 115.700 -0.106 0.000 2.383 63 S HA -0.117 4.303 4.470 -0.083 0.000 0.227 63 S C 2.016 176.573 174.600 -0.071 0.000 1.026 63 S CA 1.231 59.385 58.200 -0.076 0.000 0.981 63 S CB -0.240 62.919 63.200 -0.068 0.000 0.818 63 S HN 0.359 nan 8.310 nan 0.000 0.472 64 S N -0.382 115.264 115.700 -0.090 0.000 2.575 64 S HA 0.199 4.620 4.470 -0.083 0.000 0.215 64 S C 0.685 175.248 174.600 -0.062 0.000 0.966 64 S CA -0.123 58.034 58.200 -0.070 0.000 0.911 64 S CB -1.069 62.087 63.200 -0.074 0.000 0.780 64 S HN 0.617 nan 8.310 nan 0.000 0.514 65 C N 2.516 121.775 119.300 -0.069 0.000 2.648 65 C HA 0.354 4.764 4.460 -0.083 0.000 0.415 65 C C 1.009 175.978 174.990 -0.036 0.000 1.366 65 C CA -0.070 58.916 59.018 -0.053 0.000 1.756 65 C CB -0.481 27.224 27.740 -0.058 0.000 2.549 65 C HN 0.677 nan 8.230 nan 0.000 0.597 66 Q N 4.260 124.046 119.800 -0.024 0.000 2.135 66 Q HA 0.329 4.619 4.340 -0.083 0.000 0.231 66 Q C -0.675 175.322 176.000 -0.005 0.000 0.817 66 Q CA 0.061 55.854 55.803 -0.016 0.000 1.073 66 Q CB 0.477 29.206 28.738 -0.016 0.000 1.176 66 Q HN 0.773 nan 8.270 nan 0.000 0.478 67 I N 2.463 123.032 120.570 -0.000 0.000 2.306 67 I HA 0.274 4.394 4.170 -0.083 0.000 0.288 67 I C -2.178 173.946 176.117 0.012 0.000 1.036 67 I CA -2.070 59.243 61.300 0.022 0.000 1.221 67 I CB 0.875 38.896 38.000 0.035 0.000 1.385 67 I HN -0.116 nan 8.210 nan 0.000 0.472 68 P HA 0.301 nan 4.420 nan 0.000 0.270 68 P C -0.831 176.473 177.300 0.008 0.000 1.223 68 P CA -0.322 62.784 63.100 0.010 0.000 0.785 68 P CB 0.790 32.500 31.700 0.017 0.000 0.923 69 A N 0.825 123.641 122.820 -0.007 0.000 2.449 69 A HA 0.490 4.760 4.320 -0.083 0.000 0.302 69 A C 1.095 178.671 177.584 -0.013 0.000 1.048 69 A CA -0.346 51.679 52.037 -0.019 0.000 0.708 69 A CB 0.688 19.665 19.000 -0.039 0.000 1.274 69 A HN 0.442 nan 8.150 nan 0.000 0.410 70 T N 0.454 115.001 114.554 -0.013 0.000 2.684 70 T HA -0.078 4.223 4.350 -0.083 0.000 0.267 70 T C 0.745 175.444 174.700 -0.002 0.000 1.036 70 T CA 2.062 64.160 62.100 -0.003 0.000 1.148 70 T CB -0.058 68.809 68.868 -0.002 0.000 0.863 70 T HN 0.715 nan 8.240 nan 0.000 0.436 71 E N 0.321 120.517 120.200 -0.007 0.000 2.266 71 E HA 0.402 4.703 4.350 -0.083 0.000 0.268 71 E C -1.545 175.047 176.600 -0.013 0.000 0.879 71 E CA -0.490 55.911 56.400 0.001 0.000 0.762 71 E CB 1.787 31.498 29.700 0.019 0.000 1.199 71 E HN 0.014 nan 8.360 nan 0.000 0.422 72 T N 3.374 117.923 114.554 -0.008 0.000 2.861 72 T HA 0.437 4.737 4.350 -0.083 0.000 0.287 72 T C -1.248 173.446 174.700 -0.009 0.000 1.003 72 T CA -0.584 61.503 62.100 -0.021 0.000 0.977 72 T CB 0.988 69.843 68.868 -0.022 0.000 0.996 72 T HN 0.354 nan 8.240 nan 0.000 0.448 73 L N 3.201 124.410 121.223 -0.024 0.000 2.356 73 L HA 0.552 4.842 4.340 -0.083 0.000 0.277 73 L C -1.258 175.595 176.870 -0.028 0.000 0.996 73 L CA -0.410 54.423 54.840 -0.012 0.000 0.822 73 L CB 1.455 43.514 42.059 0.000 0.000 1.256 73 L HN 0.486 nan 8.230 nan 0.000 0.413 74 D N 6.367 126.759 120.400 -0.013 0.000 2.412 74 D HA 0.274 4.864 4.640 -0.083 0.000 0.224 74 D C 0.881 177.179 176.300 -0.004 0.000 1.093 74 D CA -0.062 53.930 54.000 -0.014 0.000 0.850 74 D CB 1.820 42.614 40.800 -0.011 0.000 1.046 74 D HN 0.569 nan 8.370 nan 0.000 0.507 75 L N 1.287 122.508 121.223 -0.003 0.000 2.416 75 L HA 0.159 4.449 4.340 -0.083 0.000 0.216 75 L C 1.671 178.562 176.870 0.035 0.000 1.098 75 L CA 0.358 55.212 54.840 0.024 0.000 0.840 75 L CB -0.201 41.880 42.059 0.037 0.000 0.981 75 L HN 0.601 nan 8.230 nan 0.000 0.462 76 G N 0.357 109.160 108.800 0.006 0.000 2.531 76 G HA2 -0.310 3.600 3.960 -0.083 0.000 0.274 76 G HA3 -0.310 3.600 3.960 -0.083 0.000 0.274 76 G C 0.155 175.045 174.900 -0.016 0.000 1.159 76 G CA -0.290 44.795 45.100 -0.025 0.000 0.969 76 G HN 0.248 nan 8.290 nan 0.000 0.554 77 Q N 2.403 122.194 119.800 -0.016 0.000 3.223 77 Q HA 0.222 4.512 4.340 -0.083 0.000 0.299 77 Q C 0.647 176.798 176.000 0.253 0.000 1.385 77 Q CA 0.800 56.625 55.803 0.036 0.000 0.942 77 Q CB -0.162 28.597 28.738 0.036 0.000 1.748 77 Q HN 0.616 nan 8.270 nan 0.000 0.523 78 Q N -0.452 119.508 119.800 0.267 0.000 2.433 78 Q HA 0.574 4.864 4.340 -0.083 0.000 0.279 78 Q C -0.772 175.467 176.000 0.398 0.000 1.105 78 Q CA -0.933 55.055 55.803 0.309 0.000 0.815 78 Q CB 2.498 31.360 28.738 0.206 0.000 1.403 78 Q HN 0.058 nan 8.270 nan 0.000 0.435 79 V N 2.534 122.647 119.914 0.330 0.000 2.394 79 V HA 0.383 4.453 4.120 -0.083 0.000 0.282 79 V C -0.000 176.197 176.094 0.171 0.000 1.031 79 V CA -0.389 62.074 62.300 0.270 0.000 0.881 79 V CB 1.025 32.942 31.823 0.158 0.000 0.982 79 V HN 0.571 nan 8.190 nan 0.000 0.451 83 G N 0.198 108.912 108.800 -0.144 0.000 2.554 83 G HA2 0.319 4.229 3.960 -0.083 0.000 0.238 83 G HA3 0.319 4.229 3.960 -0.083 0.000 0.238 83 G C -0.409 174.401 174.900 -0.151 0.000 1.259 83 G CA -0.481 44.506 45.100 -0.188 0.000 0.843 83 G HN 0.425 nan 8.290 nan 0.000 0.582 84 W N -0.184 121.094 121.300 -0.037 0.000 2.137 84 W HA 0.386 4.998 4.660 -0.080 0.000 0.344 84 W C 0.038 176.548 176.519 -0.015 0.000 1.286 84 W CA -0.790 56.518 57.345 -0.061 0.000 1.240 84 W CB 0.701 30.101 29.460 -0.100 0.000 1.141 84 W HN 0.174 nan 8.180 nan 0.000 0.579 85 V N 3.543 123.613 119.914 0.260 0.000 2.293 85 V HA 0.055 4.125 4.120 -0.083 0.000 0.275 85 V C -0.035 176.138 176.094 0.132 0.000 1.021 85 V CA -1.014 61.381 62.300 0.158 0.000 0.815 85 V CB 0.620 32.504 31.823 0.102 0.000 1.025 85 V HN 0.455 nan 8.190 nan 0.000 0.448 86 N N 4.167 122.946 118.700 0.131 0.000 2.415 86 N HA 0.244 4.935 4.740 -0.083 0.000 0.250 86 N C 0.752 176.316 175.510 0.091 0.000 1.127 86 N CA 0.134 53.232 53.050 0.080 0.000 0.945 86 N CB 1.732 40.268 38.487 0.081 0.000 1.196 86 N HN 0.718 nan 8.380 nan 0.000 0.499 87 A N 3.026 125.890 122.820 0.074 0.000 2.251 87 A HA 0.035 4.305 4.320 -0.083 0.000 0.209 87 A C 0.155 177.822 177.584 0.137 0.000 1.187 87 A CA 0.373 52.470 52.037 0.099 0.000 0.823 87 A CB -0.348 18.695 19.000 0.071 0.000 0.846 87 A HN 0.830 nan 8.150 nan 0.000 0.486 88 H N -2.247 116.809 119.070 -0.023 0.000 3.099 88 H HA 0.516 5.023 4.556 -0.082 0.000 0.342 88 H C -0.327 174.939 175.328 -0.105 0.000 1.054 88 H CA 0.258 56.261 56.048 -0.076 0.000 1.328 88 H CB 0.864 30.534 29.762 -0.154 0.000 1.876 88 H HN 0.339 nan 8.280 nan 0.000 0.495 89 G N 2.232 110.551 108.800 -0.800 0.000 2.548 89 G HA2 0.345 4.256 3.960 -0.083 0.000 0.301 89 G HA3 0.345 4.256 3.960 -0.083 0.000 0.301 89 G C -1.925 172.430 174.900 -0.909 0.000 1.349 89 G CA -0.843 43.862 45.100 -0.657 0.000 0.792 89 G HN 0.624 nan 8.290 nan 0.000 0.481 90 H N 0.319 119.298 119.070 -0.153 0.000 2.808 90 H HA 0.468 4.974 4.556 -0.084 0.000 0.268 90 H C 0.954 176.128 175.328 -0.256 0.000 1.306 90 H CA 0.052 55.970 56.048 -0.217 0.000 1.565 90 H CB 1.129 30.687 29.762 -0.340 0.000 1.632 90 H HN 0.689 nan 8.280 nan 0.000 0.525 91 A N 2.541 125.318 122.820 -0.072 0.000 1.883 91 A HA 0.050 4.321 4.320 -0.083 0.000 0.217 91 A C 1.664 179.133 177.584 -0.192 0.000 1.186 91 A CA 1.359 53.302 52.037 -0.156 0.000 0.624 91 A CB -0.208 18.667 19.000 -0.208 0.000 0.822 91 A HN 0.650 nan 8.150 nan 0.000 0.444 95 L N 0.779 121.758 121.223 -0.407 0.000 2.552 95 L HA 0.363 4.653 4.340 -0.083 0.000 0.227 95 L C 0.603 177.384 176.870 -0.147 0.000 1.146 95 L CA 0.804 55.377 54.840 -0.444 0.000 0.858 95 L CB -0.444 40.990 42.059 -1.041 0.000 0.969 95 L HN 0.269 nan 8.230 nan 0.000 0.451 96 F N -0.374 119.616 119.950 0.067 0.000 2.668 96 F HA 0.257 4.734 4.527 -0.083 0.000 0.297 96 F C 1.513 177.359 175.800 0.076 0.000 1.124 96 F CA -0.987 57.072 58.000 0.100 0.000 1.353 96 F CB -0.782 38.293 39.000 0.125 0.000 0.992 96 F HN -0.051 nan 8.300 nan 0.000 0.524 100 L N 0.879 122.193 121.223 0.152 0.000 2.042 100 L HA 0.483 4.774 4.340 -0.083 0.000 0.210 100 L C 1.377 178.254 176.870 0.011 0.000 1.076 100 L CA 2.720 57.621 54.840 0.102 0.000 0.749 100 L CB 0.142 42.246 42.059 0.075 0.000 0.893 100 L HN 0.678 nan 8.230 nan 0.000 0.432 101 A N -0.522 122.315 122.820 0.029 0.000 2.969 101 A HA 0.353 4.623 4.320 -0.083 0.000 0.303 101 A C -1.027 176.568 177.584 0.018 0.000 1.198 101 A CA -0.794 51.167 52.037 -0.128 0.000 0.819 101 A CB -0.255 18.395 19.000 -0.582 0.000 1.385 101 A HN 0.184 nan 8.150 nan 0.000 0.479 102 D N 1.114 121.505 120.400 -0.016 0.000 2.329 102 D HA 0.336 4.926 4.640 -0.083 0.000 0.246 102 D C -0.271 175.989 176.300 -0.067 0.000 1.111 102 D CA 0.700 54.675 54.000 -0.042 0.000 0.941 102 D CB 0.731 41.511 40.800 -0.033 0.000 1.169 102 D HN 0.491 nan 8.370 nan 0.000 0.441 103 D N 0.097 120.437 120.400 -0.100 0.000 2.835 103 D HA -0.169 4.421 4.640 -0.083 0.000 0.230 103 D C -0.524 175.736 176.300 -0.068 0.000 1.130 103 D CA 0.649 54.598 54.000 -0.084 0.000 0.738 103 D CB -1.291 39.476 40.800 -0.055 0.000 1.090 103 D HN 0.275 nan 8.370 nan 0.000 0.433 104 L N -0.650 120.525 121.223 -0.080 0.000 2.354 104 L HA 0.571 4.861 4.340 -0.083 0.000 0.264 104 L C -1.992 174.844 176.870 -0.057 0.000 1.008 104 L CA -2.012 52.812 54.840 -0.027 0.000 0.819 104 L CB 1.588 43.681 42.059 0.056 0.000 1.339 104 L HN -0.314 nan 8.230 nan 0.000 0.420 105 P HA 0.085 nan 4.420 nan 0.000 0.269 105 P C -0.211 177.085 177.300 -0.007 0.000 1.209 105 P CA -0.496 62.577 63.100 -0.045 0.000 0.776 105 P CB 0.436 32.117 31.700 -0.032 0.000 0.876 109 W N 3.197 124.474 121.300 -0.038 0.000 2.317 109 W HA 0.004 4.618 4.660 -0.077 0.000 0.318 109 W C 1.626 178.050 176.519 -0.158 0.000 1.227 109 W CA 1.592 58.913 57.345 -0.040 0.000 1.269 109 W CB -0.722 28.674 29.460 -0.105 0.000 1.155 109 W HN 0.280 nan 8.180 nan 0.000 0.484 110 L N -0.192 120.831 121.223 -0.332 0.000 2.005 110 L HA -0.249 4.042 4.340 -0.083 0.000 0.207 110 L C 2.696 179.074 176.870 -0.821 0.000 1.072 110 L CA 1.822 56.071 54.840 -0.985 0.000 0.744 110 L CB -1.123 40.130 42.059 -1.342 0.000 0.895 110 L HN 0.067 nan 8.230 nan 0.000 0.433 111 Q N -0.736 118.804 119.800 -0.435 0.000 2.123 111 Q HA -0.129 4.161 4.340 -0.083 0.000 0.199 111 Q C 1.848 177.782 176.000 -0.111 0.000 0.966 111 Q CA 0.898 56.636 55.803 -0.108 0.000 0.845 111 Q CB 0.222 28.953 28.738 -0.011 0.000 0.907 111 Q HN 0.370 nan 8.270 nan 0.000 0.439 112 E N -1.100 118.970 120.200 -0.216 0.000 2.452 112 E HA 0.018 4.318 4.350 -0.083 0.000 0.197 112 E C 1.123 177.312 176.600 -0.685 0.000 1.022 112 E CA 0.579 56.743 56.400 -0.394 0.000 0.890 112 E CB 0.514 29.956 29.700 -0.430 0.000 0.918 112 E HN 0.458 nan 8.360 nan 0.000 0.496 113 H N -1.240 117.707 119.070 -0.205 0.000 2.027 113 H HA 0.186 4.692 4.556 -0.083 0.000 0.209 113 H C 2.115 177.203 175.328 -0.399 0.000 0.903 113 H CA 0.362 56.252 56.048 -0.263 0.000 1.078 113 H CB 0.211 29.821 29.762 -0.254 0.000 1.248 113 H HN -0.122 nan 8.280 nan 0.000 0.432 114 V N 0.999 120.613 119.914 -0.499 0.000 2.307 114 V HA -0.212 3.858 4.120 -0.083 0.000 0.245 114 V C 2.273 178.205 176.094 -0.269 0.000 1.045 114 V CA 1.587 63.514 62.300 -0.622 0.000 1.024 114 V CB -0.445 30.778 31.823 -1.000 0.000 0.651 114 V HN 0.379 nan 8.190 nan 0.000 0.449 115 W N 0.001 121.152 121.300 -0.250 0.000 2.381 115 W HA 0.011 4.622 4.660 -0.082 0.000 0.301 115 W C 0.102 176.542 176.519 -0.131 0.000 1.205 115 W CA 0.867 58.127 57.345 -0.142 0.000 1.285 115 W CB -2.602 26.796 29.460 -0.104 0.000 1.133 115 W HN 0.373 nan 8.180 nan 0.000 0.521 116 P HA -0.117 nan 4.420 nan 0.000 0.216 116 P C 1.722 179.013 177.300 -0.016 0.000 1.153 116 P CA 3.039 66.142 63.100 0.005 0.000 0.848 116 P CB -0.280 31.399 31.700 -0.035 0.000 0.787 117 A N 0.088 122.867 122.820 -0.069 0.000 1.902 117 A HA -0.237 4.034 4.320 -0.083 0.000 0.217 117 A C 2.163 179.788 177.584 0.069 0.000 1.181 117 A CA 1.697 53.719 52.037 -0.026 0.000 0.623 117 A CB -1.230 17.483 19.000 -0.479 0.000 0.818 117 A HN 0.177 nan 8.150 nan 0.000 0.443 118 E N -0.301 119.903 120.200 0.006 0.000 2.051 118 E HA -0.121 4.179 4.350 -0.083 0.000 0.192 118 E C 2.326 178.915 176.600 -0.018 0.000 0.991 118 E CA 0.989 57.452 56.400 0.106 0.000 0.799 118 E CB -0.304 29.518 29.700 0.204 0.000 0.748 118 E HN 0.611 nan 8.360 nan 0.000 0.449 119 A N 1.114 123.916 122.820 -0.031 0.000 1.972 119 A HA -0.272 3.998 4.320 -0.083 0.000 0.219 119 A C 2.097 179.627 177.584 -0.089 0.000 1.169 119 A CA 1.849 53.840 52.037 -0.076 0.000 0.635 119 A CB -0.409 18.557 19.000 -0.057 0.000 0.810 119 A HN 0.244 nan 8.150 nan 0.000 0.446 120 Q N -2.009 117.721 119.800 -0.117 0.000 2.204 120 Q HA -0.083 4.207 4.340 -0.083 0.000 0.198 120 Q C 1.674 177.496 176.000 -0.298 0.000 0.946 120 Q CA 1.256 56.905 55.803 -0.257 0.000 0.859 120 Q CB -0.026 28.463 28.738 -0.414 0.000 0.946 120 Q HN 0.757 nan 8.270 nan 0.000 0.474 121 H N -1.265 117.855 119.070 0.085 0.000 2.681 121 H HA 0.259 4.766 4.556 -0.083 0.000 0.268 121 H C -0.126 175.139 175.328 -0.105 0.000 0.967 121 H CA 0.202 56.336 56.048 0.145 0.000 1.233 121 H CB 0.809 30.752 29.762 0.302 0.000 1.445 121 H HN 0.019 nan 8.280 nan 0.000 0.494 122 V N 5.186 124.975 119.914 -0.207 0.000 2.415 122 V HA 0.067 4.137 4.120 -0.083 0.000 0.267 122 V C 0.095 176.191 176.094 0.003 0.000 1.042 122 V CA 0.078 62.163 62.300 -0.359 0.000 1.000 122 V CB 0.378 32.023 31.823 -0.297 0.000 1.015 122 V HN 0.444 nan 8.190 nan 0.000 0.478 123 D N 2.720 123.145 120.400 0.043 0.000 2.867 123 D HA 0.298 4.889 4.640 -0.083 0.000 0.308 123 D C 0.631 176.732 176.300 -0.330 0.000 1.202 123 D CA -0.772 53.103 54.000 -0.207 0.000 1.035 123 D CB 0.818 41.594 40.800 -0.040 0.000 1.427 123 D HN 0.107 nan 8.370 nan 0.000 0.570 124 E N -1.196 118.708 120.200 -0.493 0.000 2.110 124 E HA -0.160 4.140 4.350 -0.083 0.000 0.193 124 E C 1.555 178.210 176.600 0.091 0.000 0.988 124 E CA 1.464 57.731 56.400 -0.223 0.000 0.804 124 E CB -0.357 29.264 29.700 -0.131 0.000 0.745 124 E HN 0.538 nan 8.360 nan 0.000 0.458 125 H N -0.724 118.391 119.070 0.076 0.000 2.363 125 H HA -0.047 4.459 4.556 -0.082 0.000 0.301 125 H C 1.668 177.142 175.328 0.243 0.000 1.074 125 H CA 1.426 57.587 56.048 0.188 0.000 1.354 125 H CB -0.386 29.522 29.762 0.244 0.000 1.397 125 H HN 0.215 nan 8.280 nan 0.000 0.516 126 F N 0.212 120.176 119.950 0.024 0.000 2.065 126 F HA -0.249 4.228 4.527 -0.083 0.000 0.298 126 F C 2.289 177.889 175.800 -0.333 0.000 1.112 126 F CA 1.866 59.576 58.000 -0.483 0.000 1.212 126 F CB -0.555 38.154 39.000 -0.485 0.000 0.975 126 F HN 0.042 nan 8.300 nan 0.000 0.476 127 V N 0.734 120.771 119.914 0.205 0.000 2.427 127 V HA -0.302 3.768 4.120 -0.083 0.000 0.248 127 V C 2.393 178.509 176.094 0.037 0.000 1.051 127 V CA 2.214 64.637 62.300 0.205 0.000 1.048 127 V CB -0.811 31.236 31.823 0.372 0.000 0.666 127 V HN 0.354 nan 8.190 nan 0.000 0.456 128 K N -0.027 120.391 120.400 0.029 0.000 2.002 128 K HA -0.226 4.044 4.320 -0.083 0.000 0.209 128 K C 2.238 178.796 176.600 -0.071 0.000 1.048 128 K CA 1.817 58.118 56.287 0.023 0.000 0.930 128 K CB -0.155 32.393 32.500 0.079 0.000 0.714 128 K HN 0.495 nan 8.250 nan 0.000 0.438 129 Q N -0.657 119.031 119.800 -0.187 0.000 2.172 129 Q HA -0.059 4.231 4.340 -0.083 0.000 0.200 129 Q C 2.140 177.967 176.000 -0.288 0.000 0.964 129 Q CA 1.225 56.916 55.803 -0.186 0.000 0.855 129 Q CB -0.023 28.616 28.738 -0.165 0.000 0.918 129 Q HN 0.548 nan 8.270 nan 0.000 0.444 130 G N 0.441 108.937 108.800 -0.506 0.000 2.402 130 G HA2 -0.220 3.691 3.960 -0.083 0.000 0.216 130 G HA3 -0.220 3.691 3.960 -0.083 0.000 0.216 130 G C 1.387 176.108 174.900 -0.298 0.000 1.162 130 G CA 1.245 46.025 45.100 -0.533 0.000 0.777 130 G HN 0.254 nan 8.290 nan 0.000 0.539 131 T N 0.899 115.338 114.554 -0.190 0.000 2.821 131 T HA -0.036 4.264 4.350 -0.083 0.000 0.267 131 T C 2.145 176.752 174.700 -0.154 0.000 1.046 131 T CA 1.426 63.442 62.100 -0.140 0.000 1.139 131 T CB -0.143 68.721 68.868 -0.007 0.000 0.871 131 T HN 0.452 nan 8.240 nan 0.000 0.454 132 E N 0.683 120.821 120.200 -0.103 0.000 2.058 132 E HA -0.124 4.176 4.350 -0.083 0.000 0.194 132 E C 2.138 178.672 176.600 -0.110 0.000 0.997 132 E CA 0.937 57.291 56.400 -0.076 0.000 0.801 132 E CB -0.285 29.401 29.700 -0.024 0.000 0.746 132 E HN 0.237 nan 8.360 nan 0.000 0.450 133 L N 0.995 122.139 121.223 -0.132 0.000 2.017 133 L HA -0.155 4.135 4.340 -0.083 0.000 0.208 133 L C 2.216 178.991 176.870 -0.159 0.000 1.073 133 L CA 2.174 56.933 54.840 -0.135 0.000 0.745 133 L CB -0.661 41.308 42.059 -0.151 0.000 0.894 133 L HN 0.052 nan 8.230 nan 0.000 0.432 134 A N -0.225 122.468 122.820 -0.210 0.000 1.902 134 A HA -0.197 4.073 4.320 -0.083 0.000 0.217 134 A C 2.294 179.713 177.584 -0.275 0.000 1.181 134 A CA 2.196 54.083 52.037 -0.249 0.000 0.623 134 A CB -0.963 17.844 19.000 -0.322 0.000 0.818 134 A HN 0.540 nan 8.150 nan 0.000 0.443 135 I N -0.316 120.074 120.570 -0.300 0.000 2.226 135 I HA -0.294 3.826 4.170 -0.083 0.000 0.245 135 I C 2.976 179.007 176.117 -0.144 0.000 1.100 135 I CA 1.046 62.184 61.300 -0.270 0.000 1.374 135 I CB -0.315 37.569 38.000 -0.195 0.000 1.057 135 I HN 0.373 nan 8.210 nan 0.000 0.413 136 A N 0.083 122.835 122.820 -0.115 0.000 1.902 136 A HA -0.205 4.065 4.320 -0.083 0.000 0.217 136 A C 1.553 179.094 177.584 -0.070 0.000 1.181 136 A CA 0.960 52.950 52.037 -0.080 0.000 0.623 136 A CB -0.564 18.391 19.000 -0.074 0.000 0.818 136 A HN 0.502 nan 8.150 nan 0.000 0.443 140 Q N 1.354 121.162 119.800 0.014 0.000 2.364 140 Q HA -0.080 4.210 4.340 -0.083 0.000 0.209 140 Q C 1.360 177.403 176.000 0.073 0.000 0.977 140 Q CA 1.861 57.672 55.803 0.013 0.000 0.885 140 Q CB 0.044 28.774 28.738 -0.013 0.000 0.941 140 Q HN 0.609 nan 8.270 nan 0.000 0.464 141 S N -2.046 113.740 115.700 0.143 0.000 2.601 141 S HA 0.409 4.829 4.470 -0.083 0.000 0.244 141 S C 1.007 175.922 174.600 0.525 0.000 1.001 141 S CA 0.038 58.416 58.200 0.297 0.000 0.984 141 S CB 1.004 64.351 63.200 0.245 0.000 0.842 141 S HN 0.421 nan 8.310 nan 0.000 0.474 142 G N 0.856 109.864 108.800 0.348 0.000 2.157 142 G HA2 -0.239 3.671 3.960 -0.083 0.000 0.248 142 G HA3 -0.239 3.671 3.960 -0.083 0.000 0.248 142 G C 0.118 175.168 174.900 0.250 0.000 0.979 142 G CA 0.100 45.366 45.100 0.277 0.000 0.650 142 G HN 0.576 nan 8.290 nan 0.000 0.529 143 T N 1.069 115.831 114.554 0.347 0.000 2.832 143 T HA 0.491 4.791 4.350 -0.083 0.000 0.296 143 T C 1.600 176.403 174.700 0.173 0.000 0.968 143 T CA 0.817 63.101 62.100 0.306 0.000 1.107 143 T CB 1.321 70.337 68.868 0.245 0.000 0.916 143 T HN 0.670 nan 8.240 nan 0.000 0.517 144 T N -0.813 113.831 114.554 0.152 0.000 2.959 144 T HA 0.214 4.515 4.350 -0.083 0.000 0.254 144 T C 0.593 175.367 174.700 0.124 0.000 1.003 144 T CA -0.163 62.007 62.100 0.115 0.000 0.950 144 T CB 0.415 69.330 68.868 0.079 0.000 1.090 144 T HN 0.489 nan 8.240 nan 0.000 0.503 145 T N 2.846 117.484 114.554 0.140 0.000 2.881 145 T HA 0.649 4.949 4.350 -0.083 0.000 0.290 145 T C -1.363 173.448 174.700 0.185 0.000 1.000 145 T CA -0.811 61.354 62.100 0.107 0.000 0.978 145 T CB 1.426 70.317 68.868 0.038 0.000 0.997 145 T HN 0.412 nan 8.240 nan 0.000 0.443 146 F N 0.930 120.875 119.950 -0.008 0.000 2.532 146 F HA 0.919 5.396 4.527 -0.084 0.000 0.321 146 F C -0.278 175.505 175.800 -0.028 0.000 1.089 146 F CA -1.546 56.445 58.000 -0.016 0.000 0.926 146 F CB 1.000 39.981 39.000 -0.031 0.000 1.168 146 F HN 0.626 nan 8.300 nan 0.000 0.459 147 A N 2.659 125.491 122.820 0.019 0.000 2.310 147 A HA 0.590 4.860 4.320 -0.083 0.000 0.299 147 A C -1.080 176.546 177.584 0.070 0.000 1.147 147 A CA -0.257 51.780 52.037 -0.001 0.000 0.818 147 A CB 0.860 20.012 19.000 0.253 0.000 1.096 147 A HN 0.890 nan 8.150 nan 0.000 0.495 151 F N 2.400 121.916 119.950 -0.724 0.000 2.545 151 F HA 0.213 4.691 4.527 -0.082 0.000 0.348 151 F C -0.023 175.486 175.800 -0.486 0.000 1.163 151 F CA 0.470 57.894 58.000 -0.960 0.000 1.331 151 F CB -0.249 38.209 39.000 -0.902 0.000 1.138 151 F HN 0.418 nan 8.300 nan 0.000 0.602 152 Y N -0.092 120.041 120.300 -0.279 0.000 3.027 152 Y HA -0.180 4.320 4.550 -0.083 0.000 0.195 152 Y C -1.575 174.406 175.900 0.135 0.000 1.381 152 Y CA -0.359 57.819 58.100 0.131 0.000 1.015 152 Y CB -2.112 36.473 38.460 0.208 0.000 1.329 152 Y HN 0.421 nan 8.280 nan 0.000 0.462 153 P HA -0.242 nan 4.420 nan 0.000 0.222 153 P C 1.516 178.926 177.300 0.184 0.000 1.147 153 P CA 1.814 64.987 63.100 0.123 0.000 0.790 153 P CB 0.229 31.958 31.700 0.048 0.000 0.780 154 Q N -0.263 119.726 119.800 0.315 0.000 2.124 154 Q HA -0.217 4.074 4.340 -0.083 0.000 0.202 154 Q C 2.233 178.463 176.000 0.383 0.000 0.977 154 Q CA 1.449 57.519 55.803 0.445 0.000 0.850 154 Q CB -0.197 28.777 28.738 0.393 0.000 0.901 154 Q HN 0.050 nan 8.270 nan 0.000 0.429 155 Q N -0.055 119.932 119.800 0.312 0.000 2.050 155 Q HA -0.124 4.167 4.340 -0.083 0.000 0.202 155 Q C 2.086 178.216 176.000 0.217 0.000 0.980 155 Q CA 1.744 57.699 55.803 0.253 0.000 0.840 155 Q CB -0.686 28.198 28.738 0.244 0.000 0.898 155 Q HN 0.331 nan 8.270 nan 0.000 0.424 156 S N -0.563 115.262 115.700 0.208 0.000 2.356 156 S HA -0.109 4.311 4.470 -0.083 0.000 0.223 156 S C 1.987 176.665 174.600 0.130 0.000 1.032 156 S CA 1.471 59.780 58.200 0.181 0.000 1.005 156 S CB -0.626 62.688 63.200 0.190 0.000 0.867 156 S HN 0.507 nan 8.310 nan 0.000 0.449 157 G N 1.051 109.865 108.800 0.023 0.000 2.422 157 G HA2 -0.150 3.761 3.960 -0.083 0.000 0.218 157 G HA3 -0.150 3.761 3.960 -0.083 0.000 0.218 157 G C 1.443 176.422 174.900 0.132 0.000 1.146 157 G CA 0.774 45.752 45.100 -0.202 0.000 0.769 157 G HN 0.618 nan 8.290 nan 0.000 0.547 158 E N 0.727 121.130 120.200 0.338 0.000 2.072 158 E HA -0.079 4.221 4.350 -0.083 0.000 0.191 158 E C 2.968 179.658 176.600 0.151 0.000 0.985 158 E CA 0.858 57.413 56.400 0.258 0.000 0.801 158 E CB -0.235 29.611 29.700 0.244 0.000 0.750 158 E HN 0.404 nan 8.360 nan 0.000 0.452 159 A N 1.786 124.691 122.820 0.142 0.000 1.902 159 A HA -0.109 4.161 4.320 -0.083 0.000 0.217 159 A C 2.448 180.095 177.584 0.105 0.000 1.181 159 A CA 1.773 53.874 52.037 0.107 0.000 0.623 159 A CB -0.557 18.496 19.000 0.089 0.000 0.818 159 A HN 0.280 nan 8.150 nan 0.000 0.443 160 A N -0.150 122.752 122.820 0.136 0.000 1.883 160 A HA -0.086 4.185 4.320 -0.083 0.000 0.217 160 A C 2.187 179.818 177.584 0.078 0.000 1.186 160 A CA 1.546 53.670 52.037 0.145 0.000 0.624 160 A CB -0.644 18.427 19.000 0.120 0.000 0.822 160 A HN 0.480 nan 8.150 nan 0.000 0.444 161 L N -0.891 120.367 121.223 0.057 0.000 2.012 161 L HA -0.241 4.049 4.340 -0.083 0.000 0.210 161 L C 3.121 180.015 176.870 0.040 0.000 1.073 161 L CA 1.301 56.160 54.840 0.030 0.000 0.748 161 L CB -0.594 41.452 42.059 -0.021 0.000 0.891 161 L HN 0.464 nan 8.230 nan 0.000 0.431 162 A N -0.331 122.521 122.820 0.053 0.000 1.969 162 A HA -0.100 4.170 4.320 -0.083 0.000 0.218 162 A C 2.433 180.044 177.584 0.045 0.000 1.169 162 A CA 1.597 53.666 52.037 0.053 0.000 0.635 162 A CB -0.543 18.494 19.000 0.063 0.000 0.810 162 A HN 0.427 nan 8.150 nan 0.000 0.445 163 A N -1.998 120.850 122.820 0.047 0.000 2.016 163 A HA 0.371 4.642 4.320 -0.083 0.000 0.217 163 A C 1.999 179.605 177.584 0.037 0.000 1.162 163 A CA 1.494 53.553 52.037 0.036 0.000 0.662 163 A CB -0.774 18.247 19.000 0.034 0.000 0.812 163 A HN 1.876 nan 8.150 nan 0.000 0.450 164 G N -1.368 107.460 108.800 0.047 0.000 2.157 164 G HA2 -0.213 3.698 3.960 -0.083 0.000 0.239 164 G HA3 -0.213 3.698 3.960 -0.083 0.000 0.239 164 G C 0.212 175.146 174.900 0.056 0.000 0.982 164 G CA 0.224 45.351 45.100 0.046 0.000 0.650 164 G HN 0.710 nan 8.290 nan 0.000 0.527 165 I N 0.583 121.199 120.570 0.076 0.000 2.532 165 I HA 0.545 4.665 4.170 -0.083 0.000 0.292 165 I C 0.996 177.161 176.117 0.081 0.000 1.014 165 I CA -1.208 60.155 61.300 0.104 0.000 1.340 165 I CB 0.688 38.789 38.000 0.169 0.000 1.422 165 I HN 0.182 nan 8.210 nan 0.000 0.528 166 R N 5.448 125.981 120.500 0.054 0.000 2.438 166 R HA 0.590 4.881 4.340 -0.083 0.000 0.287 166 R C -1.145 175.076 176.300 -0.132 0.000 1.077 166 R CA -0.157 55.925 56.100 -0.029 0.000 1.034 166 R CB 0.810 31.098 30.300 -0.021 0.000 0.993 166 R HN 0.735 nan 8.270 nan 0.000 0.459 167 A N 3.463 126.105 122.820 -0.298 0.000 2.486 167 A HA 0.511 4.781 4.320 -0.083 0.000 0.300 167 A C -1.445 175.805 177.584 -0.556 0.000 1.048 167 A CA -0.683 50.965 52.037 -0.649 0.000 0.696 167 A CB 2.091 20.584 19.000 -0.844 0.000 1.278 167 A HN 0.474 nan 8.150 nan 0.000 0.405 168 V N 1.209 120.746 119.914 -0.628 0.000 2.326 168 V HA 0.255 4.325 4.120 -0.083 0.000 0.281 168 V C -0.542 175.125 176.094 -0.712 0.000 1.015 168 V CA -0.572 61.348 62.300 -0.634 0.000 0.823 168 V CB 0.767 32.227 31.823 -0.606 0.000 1.009 168 V HN 0.927 nan 8.190 nan 0.000 0.436 169 C N 5.842 124.768 119.300 -0.623 0.000 2.200 169 C HA 0.480 4.891 4.460 -0.083 0.000 0.328 169 C C 0.285 175.049 174.990 -0.376 0.000 1.148 169 C CA -0.824 57.943 59.018 -0.419 0.000 1.624 169 C CB -1.244 26.294 27.740 -0.337 0.000 2.167 169 C HN 0.673 nan 8.230 nan 0.000 0.484 170 F N 2.722 122.611 119.950 -0.101 0.000 2.464 170 F HA 0.361 4.839 4.527 -0.081 0.000 0.353 170 F C 1.221 177.008 175.800 -0.022 0.000 1.191 170 F CA -0.077 57.895 58.000 -0.046 0.000 1.147 170 F CB 0.081 39.090 39.000 0.014 0.000 1.294 170 F HN 0.726 nan 8.300 nan 0.000 0.583 171 A N 5.935 128.807 122.820 0.086 0.000 2.520 171 A HA 0.340 4.610 4.320 -0.083 0.000 0.245 171 A C -2.299 175.385 177.584 0.166 0.000 1.072 171 A CA -1.225 50.868 52.037 0.093 0.000 0.761 171 A CB -0.418 18.633 19.000 0.084 0.000 1.004 171 A HN 0.369 nan 8.150 nan 0.000 0.499 172 P HA 0.325 nan 4.420 nan 0.000 0.271 172 P C -0.820 176.562 177.300 0.137 0.000 1.218 172 P CA -0.042 63.083 63.100 0.042 0.000 0.780 172 P CB 0.896 32.489 31.700 -0.179 0.000 0.901 173 V N 4.253 124.124 119.914 -0.072 0.000 2.638 173 V HA 0.518 4.588 4.120 -0.083 0.000 0.306 173 V C -0.059 175.682 176.094 -0.588 0.000 1.052 173 V CA -0.473 61.670 62.300 -0.261 0.000 0.885 173 V CB 1.664 33.490 31.823 0.005 0.000 0.999 173 V HN 0.387 nan 8.190 nan 0.000 0.424 174 L N 2.071 122.632 121.223 -1.104 0.000 2.469 174 L HA 0.555 4.846 4.340 -0.083 0.000 0.256 174 L C 0.254 176.792 176.870 -0.553 0.000 1.006 174 L CA -0.628 53.680 54.840 -0.887 0.000 0.832 174 L CB 2.683 43.962 42.059 -1.301 0.000 1.421 174 L HN 0.455 nan 8.230 nan 0.000 0.410 175 D N 0.426 120.665 120.400 -0.269 0.000 2.234 175 D HA 0.025 4.616 4.640 -0.083 0.000 0.205 175 D C -0.010 176.324 176.300 0.057 0.000 0.962 175 D CA 1.157 55.133 54.000 -0.039 0.000 0.855 175 D CB 0.188 41.024 40.800 0.060 0.000 0.951 175 D HN 0.255 nan 8.370 nan 0.000 0.500 176 F N -0.687 119.268 119.950 0.009 0.000 2.483 176 F HA 0.690 5.167 4.527 -0.084 0.000 0.329 176 F C -2.689 173.185 175.800 0.123 0.000 1.064 176 F CA -3.133 54.886 58.000 0.031 0.000 0.986 176 F CB 0.238 39.210 39.000 -0.046 0.000 1.218 176 F HN -0.352 nan 8.300 nan 0.000 0.484 177 P HA 0.287 nan 4.420 nan 0.000 0.276 177 P C -0.618 176.775 177.300 0.155 0.000 1.230 177 P CA -0.096 63.094 63.100 0.151 0.000 0.776 177 P CB 1.235 32.989 31.700 0.090 0.000 0.888 178 T N -1.385 113.194 114.554 0.042 0.000 2.742 178 T HA 0.340 4.640 4.350 -0.083 0.000 0.282 178 T C 1.049 175.679 174.700 -0.117 0.000 1.025 178 T CA -0.719 61.353 62.100 -0.046 0.000 1.020 178 T CB 0.706 69.502 68.868 -0.121 0.000 1.317 178 T HN 0.051 nan 8.240 nan 0.000 0.538 179 N N -0.391 118.213 118.700 -0.159 0.000 2.166 179 N HA -0.095 4.596 4.740 -0.083 0.000 0.186 179 N C 1.398 176.863 175.510 -0.075 0.000 1.019 179 N CA 1.288 54.283 53.050 -0.091 0.000 0.856 179 N CB -0.649 37.809 38.487 -0.048 0.000 0.993 179 N HN 0.675 nan 8.380 nan 0.000 0.426 180 Y N 0.619 120.716 120.300 -0.339 0.000 2.242 180 Y HA 0.111 4.612 4.550 -0.082 0.000 0.291 180 Y C 0.487 176.144 175.900 -0.404 0.000 1.137 180 Y CA 1.074 58.915 58.100 -0.433 0.000 1.181 180 Y CB 0.070 38.200 38.460 -0.549 0.000 0.989 180 Y HN 0.032 nan 8.280 nan 0.000 0.527 181 A N -0.698 121.768 122.820 -0.591 0.000 2.594 181 A HA 0.396 4.666 4.320 -0.083 0.000 0.296 181 A C -0.118 177.115 177.584 -0.586 0.000 1.061 181 A CA -0.650 50.876 52.037 -0.852 0.000 0.689 181 A CB 0.949 19.017 19.000 -1.554 0.000 1.280 181 A HN 0.089 nan 8.150 nan 0.000 0.406 182 Q N 0.269 119.851 119.800 -0.363 0.000 2.302 182 Q HA 0.069 4.360 4.340 -0.083 0.000 0.202 182 Q C -0.031 175.954 176.000 -0.026 0.000 0.936 182 Q CA 1.666 57.383 55.803 -0.143 0.000 0.886 182 Q CB -0.013 28.664 28.738 -0.102 0.000 0.986 182 Q HN 0.907 nan 8.270 nan 0.000 0.487 183 N N -3.474 115.216 118.700 -0.017 0.000 3.185 183 N HA 0.360 5.050 4.740 -0.083 0.000 0.238 183 N C 0.007 175.674 175.510 0.262 0.000 1.451 183 N CA 0.125 53.255 53.050 0.134 0.000 0.888 183 N CB 0.109 38.631 38.487 0.059 0.000 1.413 183 N HN -0.165 nan 8.380 nan 0.000 0.511 184 A N 0.048 122.999 122.820 0.218 0.000 1.892 184 A HA -0.229 4.042 4.320 -0.083 0.000 0.218 184 A C 1.319 179.012 177.584 0.181 0.000 1.188 184 A CA 2.212 54.370 52.037 0.201 0.000 0.631 184 A CB -1.086 17.953 19.000 0.066 0.000 0.822 184 A HN 0.767 nan 8.150 nan 0.000 0.447 185 D N -0.921 119.539 120.400 0.100 0.000 2.149 185 D HA -0.159 4.431 4.640 -0.083 0.000 0.198 185 D C 1.890 178.223 176.300 0.055 0.000 0.990 185 D CA 1.514 55.555 54.000 0.068 0.000 0.839 185 D CB -0.291 40.531 40.800 0.037 0.000 0.948 185 D HN 0.766 nan 8.370 nan 0.000 0.460 186 E N -0.733 119.473 120.200 0.009 0.000 2.072 186 E HA -0.163 4.138 4.350 -0.083 0.000 0.190 186 E C 1.872 178.407 176.600 -0.108 0.000 0.982 186 E CA 0.494 56.838 56.400 -0.094 0.000 0.803 186 E CB -0.025 29.548 29.700 -0.212 0.000 0.755 186 E HN 0.303 nan 8.360 nan 0.000 0.453 187 Y N 0.725 121.005 120.300 -0.033 0.000 2.165 187 Y HA -0.223 4.278 4.550 -0.082 0.000 0.286 187 Y C 2.218 178.189 175.900 0.119 0.000 1.155 187 Y CA 1.442 59.566 58.100 0.040 0.000 1.164 187 Y CB -0.165 38.345 38.460 0.083 0.000 0.978 187 Y HN 0.108 nan 8.280 nan 0.000 0.513 188 I N -0.694 120.048 120.570 0.286 0.000 2.252 188 I HA -0.289 3.831 4.170 -0.083 0.000 0.245 188 I C 2.730 178.995 176.117 0.247 0.000 1.102 188 I CA 1.083 62.570 61.300 0.312 0.000 1.385 188 I CB -0.360 37.761 38.000 0.202 0.000 1.064 188 I HN 0.138 nan 8.210 nan 0.000 0.414 189 R N 1.524 122.104 120.500 0.133 0.000 2.096 189 R HA -0.213 4.077 4.340 -0.083 0.000 0.240 189 R C 2.177 178.520 176.300 0.072 0.000 1.139 189 R CA 1.738 57.886 56.100 0.081 0.000 0.952 189 R CB -0.112 30.199 30.300 0.019 0.000 0.854 189 R HN 0.340 nan 8.270 nan 0.000 0.436 190 K N -0.492 119.934 120.400 0.042 0.000 2.155 190 K HA -0.038 4.233 4.320 -0.083 0.000 0.203 190 K C 2.049 178.719 176.600 0.118 0.000 1.052 190 K CA 0.994 57.304 56.287 0.040 0.000 0.948 190 K CB -0.024 32.424 32.500 -0.088 0.000 0.728 190 K HN 0.191 nan 8.250 nan 0.000 0.448 191 A N 1.708 124.617 122.820 0.149 0.000 1.877 191 A HA -0.138 4.132 4.320 -0.083 0.000 0.216 191 A C 2.107 179.675 177.584 -0.026 0.000 1.186 191 A CA 1.200 53.266 52.037 0.048 0.000 0.620 191 A CB -0.538 18.474 19.000 0.019 0.000 0.822 191 A HN 0.145 nan 8.150 nan 0.000 0.443 192 I N -0.430 120.179 120.570 0.065 0.000 2.179 192 I HA -0.284 3.837 4.170 -0.083 0.000 0.242 192 I C 2.500 178.649 176.117 0.054 0.000 1.088 192 I CA 1.758 63.097 61.300 0.066 0.000 1.357 192 I CB -0.538 37.537 38.000 0.126 0.000 1.051 192 I HN 0.422 nan 8.210 nan 0.000 0.409 193 E N -0.072 120.166 120.200 0.065 0.000 2.085 193 E HA -0.280 4.020 4.350 -0.083 0.000 0.194 193 E C 2.310 178.964 176.600 0.089 0.000 0.994 193 E CA 1.665 58.103 56.400 0.064 0.000 0.801 193 E CB -0.277 29.458 29.700 0.057 0.000 0.743 193 E HN 0.570 nan 8.360 nan 0.000 0.453 194 C N 1.025 120.396 119.300 0.118 0.000 2.453 194 C HA -0.111 4.299 4.460 -0.083 0.000 0.277 194 C C 2.582 177.713 174.990 0.235 0.000 1.262 194 C CA 1.207 60.350 59.018 0.209 0.000 1.718 194 C CB -1.117 26.741 27.740 0.198 0.000 2.031 194 C HN 0.471 nan 8.230 nan 0.000 0.480 195 N N 0.896 119.648 118.700 0.088 0.000 2.061 195 N HA -0.220 4.471 4.740 -0.083 0.000 0.193 195 N C 1.356 176.925 175.510 0.098 0.000 1.030 195 N CA 2.593 55.676 53.050 0.056 0.000 0.856 195 N CB -0.543 37.914 38.487 -0.050 0.000 1.023 195 N HN 0.684 nan 8.380 nan 0.000 0.424 196 D N -0.670 119.773 120.400 0.071 0.000 2.117 196 D HA -0.166 4.424 4.640 -0.083 0.000 0.197 196 D C 2.092 178.419 176.300 0.045 0.000 0.987 196 D CA 0.984 55.016 54.000 0.053 0.000 0.829 196 D CB -0.129 40.694 40.800 0.037 0.000 0.961 196 D HN 0.259 nan 8.370 nan 0.000 0.460 197 R N -0.837 119.688 120.500 0.041 0.000 2.091 197 R HA -0.106 4.185 4.340 -0.083 0.000 0.238 197 R C 1.898 178.118 176.300 -0.133 0.000 1.136 197 R CA 1.451 57.513 56.100 -0.064 0.000 0.959 197 R CB -0.700 29.538 30.300 -0.104 0.000 0.856 197 R HN 0.236 nan 8.270 nan 0.000 0.437 198 F N 0.467 120.454 119.950 0.062 0.000 2.367 198 F HA 0.046 4.524 4.527 -0.082 0.000 0.298 198 F C 1.772 177.598 175.800 0.043 0.000 1.094 198 F CA 0.636 58.670 58.000 0.057 0.000 1.409 198 F CB -0.189 38.804 39.000 -0.011 0.000 1.064 198 F HN 0.091 nan 8.300 nan 0.000 0.528 199 N N 0.078 118.867 118.700 0.149 0.000 2.364 199 N HA -0.125 4.565 4.740 -0.083 0.000 0.183 199 N C 0.872 176.419 175.510 0.061 0.000 1.022 199 N CA 0.951 54.053 53.050 0.086 0.000 0.883 199 N CB -0.313 38.208 38.487 0.056 0.000 0.965 199 N HN 0.283 nan 8.380 nan 0.000 0.438 200 N N -0.598 118.127 118.700 0.041 0.000 2.171 200 N HA -0.051 4.639 4.740 -0.083 0.000 0.212 200 N C -0.294 175.210 175.510 -0.010 0.000 1.184 200 N CA -0.102 52.953 53.050 0.008 0.000 0.888 200 N CB 0.309 38.785 38.487 -0.019 0.000 1.038 200 N HN 0.267 nan 8.380 nan 0.000 0.517 201 H N 2.760 121.776 119.070 -0.089 0.000 2.848 201 H HA 0.176 4.682 4.556 -0.083 0.000 0.317 201 H C -1.916 173.383 175.328 -0.048 0.000 1.046 201 H CA -0.968 55.006 56.048 -0.122 0.000 1.470 201 H CB 0.894 30.523 29.762 -0.222 0.000 1.483 201 H HN -0.016 nan 8.280 nan 0.000 0.548 205 E N -0.135 120.108 120.200 0.073 0.000 2.160 205 E HA -0.147 4.153 4.350 -0.083 0.000 0.195 205 E C 0.776 177.399 176.600 0.038 0.000 0.991 205 E CA 0.973 57.404 56.400 0.052 0.000 0.810 205 E CB 0.154 29.881 29.700 0.045 0.000 0.742 205 E HN 0.377 nan 8.360 nan 0.000 0.466 206 Q N -0.725 119.097 119.800 0.036 0.000 2.472 206 Q HA 0.016 4.307 4.340 -0.083 0.000 0.208 206 Q C 1.178 177.188 176.000 0.016 0.000 0.958 206 Q CA 0.846 56.664 55.803 0.024 0.000 0.932 206 Q CB 0.686 29.439 28.738 0.024 0.000 1.007 206 Q HN 0.413 nan 8.270 nan 0.000 0.508 207 G N 1.318 110.130 108.800 0.021 0.000 2.198 207 G HA2 -0.291 3.619 3.960 -0.083 0.000 0.260 207 G HA3 -0.291 3.619 3.960 -0.083 0.000 0.260 207 G C 0.706 175.594 174.900 -0.020 0.000 1.025 207 G CA 0.522 45.625 45.100 0.005 0.000 0.769 207 G HN 0.400 nan 8.290 nan 0.000 0.507 208 L N -1.231 119.983 121.223 -0.015 0.000 2.083 208 L HA 0.026 4.316 4.340 -0.083 0.000 0.209 208 L C 1.358 178.169 176.870 -0.098 0.000 1.083 208 L CA 1.116 55.933 54.840 -0.038 0.000 0.752 208 L CB -0.069 41.981 42.059 -0.015 0.000 0.899 208 L HN 0.244 nan 8.230 nan 0.000 0.433 209 V N 0.081 119.930 119.914 -0.108 0.000 2.370 209 V HA 0.259 4.329 4.120 -0.083 0.000 0.283 209 V C -0.311 175.638 176.094 -0.241 0.000 1.023 209 V CA -0.442 61.715 62.300 -0.238 0.000 0.857 209 V CB 1.453 33.075 31.823 -0.335 0.000 0.985 209 V HN 0.173 nan 8.190 nan 0.000 0.443 210 Q N 3.851 123.464 119.800 -0.313 0.000 2.340 210 Q HA 0.564 4.854 4.340 -0.083 0.000 0.268 210 Q C -1.198 174.571 176.000 -0.385 0.000 1.031 210 Q CA -0.712 54.925 55.803 -0.278 0.000 0.804 210 Q CB 2.190 30.788 28.738 -0.232 0.000 1.286 210 Q HN 0.537 nan 8.270 nan 0.000 0.448 211 I N 1.868 122.247 120.570 -0.318 0.000 2.428 211 I HA 0.599 4.719 4.170 -0.083 0.000 0.296 211 I C 0.737 176.636 176.117 -0.363 0.000 0.985 211 I CA -0.098 60.992 61.300 -0.349 0.000 1.260 211 I CB 0.946 38.806 38.000 -0.233 0.000 1.389 211 I HN 0.711 nan 8.210 nan 0.000 0.484 212 G N 4.336 112.888 108.800 -0.413 0.000 3.105 212 G HA2 0.688 4.598 3.960 -0.083 0.000 0.277 212 G HA3 0.688 4.598 3.960 -0.083 0.000 0.277 212 G C -1.683 173.106 174.900 -0.186 0.000 1.375 212 G CA -0.444 44.487 45.100 -0.282 0.000 0.962 212 G HN 0.198 nan 8.290 nan 0.000 0.541 213 F N 0.069 120.166 119.950 0.246 0.000 2.420 213 F HA 0.569 5.046 4.527 -0.083 0.000 0.342 213 F C 0.893 176.871 175.800 0.296 0.000 1.113 213 F CA -0.449 57.689 58.000 0.229 0.000 1.059 213 F CB 2.458 41.558 39.000 0.167 0.000 1.128 213 F HN 0.489 nan 8.300 nan 0.000 0.475 214 G N 4.213 113.249 108.800 0.393 0.000 4.662 214 G HA2 0.312 4.222 3.960 -0.083 0.000 0.328 214 G HA3 0.312 4.222 3.960 -0.083 0.000 0.328 214 G C -2.909 172.067 174.900 0.126 0.000 1.451 214 G CA -1.411 43.826 45.100 0.229 0.000 1.154 214 G HN 0.240 nan 8.290 nan 0.000 0.547 215 P HA -0.089 nan 4.420 nan 0.000 0.263 215 P C 0.736 177.998 177.300 -0.064 0.000 1.195 215 P CA 0.172 63.270 63.100 -0.002 0.000 0.762 215 P CB 1.081 32.776 31.700 -0.010 0.000 0.799 216 H N 3.894 122.838 119.070 -0.211 0.000 2.267 216 H HA -0.054 4.453 4.556 -0.083 0.000 0.297 216 H C 0.089 175.198 175.328 -0.365 0.000 1.080 216 H CA 1.698 57.569 56.048 -0.295 0.000 1.278 216 H CB 0.322 29.902 29.762 -0.303 0.000 1.365 216 H HN 0.575 nan 8.280 nan 0.000 0.489 217 A N -0.930 121.580 122.820 -0.518 0.000 2.608 217 A HA 0.363 4.633 4.320 -0.083 0.000 0.292 217 A C -2.184 175.195 177.584 -0.341 0.000 1.066 217 A CA -0.858 50.865 52.037 -0.523 0.000 0.676 217 A CB 0.924 19.390 19.000 -0.889 0.000 1.277 217 A HN 0.086 nan 8.150 nan 0.000 0.413 218 P HA -0.155 nan 4.420 nan 0.000 0.218 218 P C 0.812 178.119 177.300 0.011 0.000 1.148 218 P CA 2.020 65.050 63.100 -0.115 0.000 0.822 218 P CB -0.199 31.477 31.700 -0.040 0.000 0.784 219 Y N -2.122 118.222 120.300 0.073 0.000 2.490 219 Y HA 0.224 4.725 4.550 -0.082 0.000 0.281 219 Y C 1.253 177.253 175.900 0.166 0.000 1.174 219 Y CA 0.811 58.992 58.100 0.135 0.000 1.295 219 Y CB -1.393 37.146 38.460 0.131 0.000 1.062 219 Y HN -0.086 nan 8.280 nan 0.000 0.522 220 T N -2.967 111.488 114.554 -0.165 0.000 3.043 220 T HA 0.407 4.707 4.350 -0.083 0.000 0.272 220 T C -0.125 174.553 174.700 -0.035 0.000 0.990 220 T CA -0.109 61.985 62.100 -0.010 0.000 0.897 220 T CB -0.201 68.680 68.868 0.023 0.000 1.111 220 T HN -0.011 nan 8.240 nan 0.000 0.529 221 V N 1.651 121.516 119.914 -0.082 0.000 2.638 221 V HA 0.572 4.642 4.120 -0.083 0.000 0.306 221 V C -0.100 175.951 176.094 -0.072 0.000 1.052 221 V CA -0.899 61.341 62.300 -0.101 0.000 0.885 221 V CB 1.942 33.664 31.823 -0.169 0.000 0.999 221 V HN 0.314 nan 8.190 nan 0.000 0.424 222 S N 2.012 117.692 115.700 -0.033 0.000 2.645 222 S HA 0.187 4.607 4.470 -0.083 0.000 0.266 222 S C 0.821 175.390 174.600 -0.053 0.000 1.258 222 S CA -0.513 57.688 58.200 0.001 0.000 0.990 222 S CB 0.948 64.169 63.200 0.035 0.000 0.967 222 S HN 0.863 nan 8.310 nan 0.000 0.556 223 D N 1.249 121.632 120.400 -0.028 0.000 2.123 223 D HA -0.100 4.490 4.640 -0.083 0.000 0.196 223 D C 1.845 178.121 176.300 -0.040 0.000 0.992 223 D CA 1.136 55.100 54.000 -0.060 0.000 0.833 223 D CB -0.098 40.688 40.800 -0.024 0.000 0.954 223 D HN 0.411 nan 8.370 nan 0.000 0.455 224 E N 0.053 120.245 120.200 -0.013 0.000 2.038 224 E HA -0.134 4.166 4.350 -0.083 0.000 0.195 224 E C -0.498 176.091 176.600 -0.018 0.000 1.000 224 E CA 1.199 57.595 56.400 -0.007 0.000 0.803 224 E CB -1.710 27.993 29.700 0.005 0.000 0.750 224 E HN 0.330 nan 8.360 nan 0.000 0.448 225 P HA -0.095 nan 4.420 nan 0.000 0.216 225 P C 1.691 178.957 177.300 -0.056 0.000 1.150 225 P CA 0.967 64.044 63.100 -0.038 0.000 0.837 225 P CB -0.116 31.562 31.700 -0.037 0.000 0.786 226 L N -0.656 120.524 121.223 -0.072 0.000 2.046 226 L HA -0.163 4.127 4.340 -0.083 0.000 0.208 226 L C 2.307 179.242 176.870 0.108 0.000 1.077 226 L CA 1.636 56.445 54.840 -0.052 0.000 0.747 226 L CB -0.737 41.143 42.059 -0.299 0.000 0.896 226 L HN -0.019 nan 8.230 nan 0.000 0.432 227 K N -0.518 119.905 120.400 0.039 0.000 2.097 227 K HA -0.125 4.145 4.320 -0.083 0.000 0.205 227 K C 2.044 178.642 176.600 -0.004 0.000 1.050 227 K CA 0.762 57.075 56.287 0.042 0.000 0.938 227 K CB -0.032 32.479 32.500 0.018 0.000 0.718 227 K HN 0.206 nan 8.250 nan 0.000 0.442 228 E N 1.183 121.361 120.200 -0.036 0.000 2.051 228 E HA -0.162 4.138 4.350 -0.083 0.000 0.192 228 E C 2.078 178.575 176.600 -0.173 0.000 0.991 228 E CA 1.051 57.406 56.400 -0.075 0.000 0.799 228 E CB -0.198 29.462 29.700 -0.068 0.000 0.748 228 E HN 0.320 nan 8.360 nan 0.000 0.449 229 I N 1.057 121.482 120.570 -0.242 0.000 2.163 229 I HA -0.213 3.907 4.170 -0.083 0.000 0.243 229 I C 1.415 177.348 176.117 -0.307 0.000 1.085 229 I CA 0.782 61.774 61.300 -0.513 0.000 1.347 229 I CB -0.445 37.359 38.000 -0.326 0.000 1.044 229 I HN 0.023 nan 8.210 nan 0.000 0.408 233 S N 0.688 116.486 115.700 0.163 0.000 2.370 233 S HA -0.263 4.158 4.470 -0.083 0.000 0.226 233 S C 1.430 176.100 174.600 0.117 0.000 1.033 233 S CA 2.593 60.937 58.200 0.239 0.000 1.011 233 S CB -0.072 63.204 63.200 0.125 0.000 0.852 233 S HN 0.515 nan 8.310 nan 0.000 0.457 234 D N 0.155 120.587 120.400 0.053 0.000 2.097 234 D HA -0.163 4.427 4.640 -0.083 0.000 0.197 234 D C 2.237 178.562 176.300 0.043 0.000 0.984 234 D CA 1.612 55.630 54.000 0.031 0.000 0.826 234 D CB -0.446 40.358 40.800 0.007 0.000 0.973 234 D HN 0.616 nan 8.370 nan 0.000 0.460 235 Q N -0.548 119.284 119.800 0.053 0.000 2.124 235 Q HA -0.092 4.199 4.340 -0.083 0.000 0.202 235 Q C 1.631 177.666 176.000 0.058 0.000 0.977 235 Q CA 1.062 56.895 55.803 0.051 0.000 0.850 235 Q CB 0.038 28.808 28.738 0.054 0.000 0.901 235 Q HN 0.396 nan 8.270 nan 0.000 0.429 236 L N 0.439 121.711 121.223 0.083 0.000 2.640 236 L HA 0.198 4.489 4.340 -0.083 0.000 0.230 236 L C -0.024 176.874 176.870 0.048 0.000 1.123 236 L CA -0.366 54.516 54.840 0.070 0.000 0.900 236 L CB 0.119 42.234 42.059 0.093 0.000 1.146 236 L HN 0.251 nan 8.230 nan 0.000 0.484 240 V N 0.581 120.695 119.914 0.332 0.000 2.656 240 V HA 0.653 4.723 4.120 -0.083 0.000 0.307 240 V C -0.361 175.737 176.094 0.006 0.000 1.051 240 V CA -0.372 62.087 62.300 0.265 0.000 0.893 240 V CB 1.990 33.844 31.823 0.053 0.000 0.999 240 V HN 0.763 nan 8.190 nan 0.000 0.426 241 Q N 3.411 123.055 119.800 -0.260 0.000 2.347 241 Q HA 0.819 5.109 4.340 -0.083 0.000 0.271 241 Q C -1.797 174.105 176.000 -0.163 0.000 1.064 241 Q CA -0.532 54.969 55.803 -0.504 0.000 0.800 241 Q CB 2.808 30.721 28.738 -1.374 0.000 1.304 241 Q HN 0.822 nan 8.270 nan 0.000 0.438 242 I N 1.877 122.406 120.570 -0.068 0.000 2.827 242 I HA 0.357 4.478 4.170 -0.083 0.000 0.298 242 I C -0.994 175.150 176.117 0.045 0.000 1.235 242 I CA -0.783 60.519 61.300 0.004 0.000 1.021 242 I CB 2.100 40.144 38.000 0.073 0.000 1.259 242 I HN 0.833 nan 8.210 nan 0.000 0.427 243 H N 5.289 124.269 119.070 -0.149 0.000 2.790 243 H HA 0.362 4.869 4.556 -0.081 0.000 0.358 243 H C -1.089 174.226 175.328 -0.021 0.000 1.103 243 H CA -0.411 55.589 56.048 -0.080 0.000 1.426 243 H CB 1.369 31.087 29.762 -0.075 0.000 1.424 243 H HN 0.237 nan 8.280 nan 0.000 0.599 244 L N 2.890 124.194 121.223 0.135 0.000 2.516 244 L HA 0.124 4.414 4.340 -0.083 0.000 0.267 244 L C -0.351 176.643 176.870 0.206 0.000 0.957 244 L CA -0.126 54.783 54.840 0.115 0.000 0.860 244 L CB 0.597 42.638 42.059 -0.030 0.000 1.265 244 L HN 0.870 nan 8.230 nan 0.000 0.403 245 H N 2.478 121.600 119.070 0.087 0.000 2.756 245 H HA -0.211 4.295 4.556 -0.084 0.000 0.315 245 H C 1.001 176.370 175.328 0.068 0.000 1.210 245 H CA 1.080 57.168 56.048 0.067 0.000 1.150 245 H CB -0.187 29.602 29.762 0.045 0.000 1.463 245 H HN 0.843 nan 8.280 nan 0.000 0.427 246 E N 1.022 121.333 120.200 0.184 0.000 2.152 246 E HA -0.066 4.235 4.350 -0.083 0.000 0.192 246 E C 0.929 177.537 176.600 0.013 0.000 0.983 246 E CA 1.396 57.831 56.400 0.059 0.000 0.818 246 E CB 0.453 30.126 29.700 -0.044 0.000 0.758 246 E HN 0.509 nan 8.360 nan 0.000 0.467 247 T N -2.478 112.102 114.554 0.043 0.000 2.903 247 T HA 0.136 4.436 4.350 -0.083 0.000 0.299 247 T C 0.228 174.939 174.700 0.018 0.000 1.093 247 T CA -0.475 61.642 62.100 0.029 0.000 1.002 247 T CB 1.592 70.497 68.868 0.062 0.000 1.127 247 T HN -0.110 nan 8.240 nan 0.000 0.488 248 D N 0.217 120.633 120.400 0.026 0.000 2.123 248 D HA -0.151 4.440 4.640 -0.083 0.000 0.196 248 D C 1.437 177.752 176.300 0.026 0.000 0.992 248 D CA 1.353 55.360 54.000 0.012 0.000 0.833 248 D CB -0.295 40.525 40.800 0.032 0.000 0.954 248 D HN 0.496 nan 8.370 nan 0.000 0.455 249 F N 1.441 121.345 119.950 -0.076 0.000 2.091 249 F HA -0.144 4.331 4.527 -0.087 0.000 0.299 249 F C 2.082 177.812 175.800 -0.117 0.000 1.103 249 F CA 1.851 59.798 58.000 -0.089 0.000 1.228 249 F CB -0.419 38.523 39.000 -0.096 0.000 0.984 249 F HN 0.026 nan 8.300 nan 0.000 0.477 250 E N -0.453 119.604 120.200 -0.237 0.000 2.110 250 E HA -0.159 4.141 4.350 -0.083 0.000 0.193 250 E C 2.289 178.742 176.600 -0.245 0.000 0.988 250 E CA 1.434 57.626 56.400 -0.347 0.000 0.804 250 E CB -0.290 29.322 29.700 -0.147 0.000 0.745 250 E HN 0.324 nan 8.360 nan 0.000 0.458 251 V N 1.264 121.050 119.914 -0.214 0.000 2.379 251 V HA -0.248 3.822 4.120 -0.083 0.000 0.245 251 V C 2.546 178.536 176.094 -0.174 0.000 1.044 251 V CA 1.887 64.045 62.300 -0.237 0.000 1.036 251 V CB -0.533 31.092 31.823 -0.330 0.000 0.664 251 V HN 0.373 nan 8.190 nan 0.000 0.453 252 S N -0.454 115.140 115.700 -0.177 0.000 2.368 252 S HA -0.223 4.197 4.470 -0.083 0.000 0.224 252 S C 1.908 176.394 174.600 -0.189 0.000 1.029 252 S CA 1.359 59.473 58.200 -0.143 0.000 0.988 252 S CB -0.435 62.706 63.200 -0.098 0.000 0.838 252 S HN 0.566 nan 8.310 nan 0.000 0.462 253 E N 1.259 121.244 120.200 -0.358 0.000 2.058 253 E HA -0.132 4.169 4.350 -0.083 0.000 0.194 253 E C 2.368 178.885 176.600 -0.138 0.000 0.997 253 E CA 1.354 57.541 56.400 -0.355 0.000 0.801 253 E CB -0.686 28.636 29.700 -0.630 0.000 0.746 253 E HN 0.637 nan 8.360 nan 0.000 0.450 254 S N 0.258 115.928 115.700 -0.051 0.000 2.368 254 S HA -0.107 4.313 4.470 -0.083 0.000 0.225 254 S C 2.181 176.866 174.600 0.141 0.000 1.030 254 S CA 0.763 59.061 58.200 0.163 0.000 0.999 254 S CB -0.164 63.122 63.200 0.143 0.000 0.844 254 S HN 0.166 nan 8.310 nan 0.000 0.459 255 L N 1.028 122.268 121.223 0.028 0.000 2.083 255 L HA -0.084 4.207 4.340 -0.083 0.000 0.209 255 L C 2.814 179.684 176.870 0.001 0.000 1.083 255 L CA 1.554 56.408 54.840 0.022 0.000 0.752 255 L CB -0.490 41.562 42.059 -0.012 0.000 0.899 255 L HN 0.396 nan 8.230 nan 0.000 0.433 256 E N -0.615 119.562 120.200 -0.039 0.000 2.047 256 E HA -0.175 4.125 4.350 -0.083 0.000 0.191 256 E C 2.104 178.646 176.600 -0.097 0.000 0.987 256 E CA 1.837 58.200 56.400 -0.061 0.000 0.799 256 E CB -0.066 29.588 29.700 -0.077 0.000 0.752 256 E HN 0.451 nan 8.360 nan 0.000 0.449 257 T N -0.147 114.314 114.554 -0.155 0.000 2.942 257 T HA -0.022 4.278 4.350 -0.083 0.000 0.265 257 T C 1.072 175.464 174.700 -0.514 0.000 1.062 257 T CA 0.861 62.737 62.100 -0.374 0.000 1.139 257 T CB -0.013 68.528 68.868 -0.545 0.000 0.883 257 T HN 0.067 nan 8.240 nan 0.000 0.468 258 F N 0.114 120.052 119.950 -0.019 0.000 2.728 258 F HA 0.394 4.870 4.527 -0.084 0.000 0.314 258 F C 0.989 176.784 175.800 -0.009 0.000 1.094 258 F CA -0.753 57.241 58.000 -0.011 0.000 1.217 258 F CB -0.239 38.756 39.000 -0.008 0.000 1.056 258 F HN -0.027 nan 8.300 nan 0.000 0.577 259 N N 0.879 119.655 118.700 0.127 0.000 2.741 259 N HA -0.232 4.458 4.740 -0.083 0.000 0.250 259 N C -0.880 174.683 175.510 0.087 0.000 1.115 259 N CA 0.834 53.931 53.050 0.078 0.000 0.724 259 N CB -0.634 37.885 38.487 0.053 0.000 1.090 259 N HN 0.312 nan 8.380 nan 0.000 0.558 260 K N -0.070 120.402 120.400 0.120 0.000 2.508 260 K HA 0.432 4.703 4.320 -0.083 0.000 0.260 260 K C -0.448 176.196 176.600 0.073 0.000 0.949 260 K CA -0.990 55.346 56.287 0.082 0.000 0.834 260 K CB 1.509 34.048 32.500 0.065 0.000 1.365 260 K HN 0.011 nan 8.250 nan 0.000 0.437 261 R N 1.036 121.573 120.500 0.061 0.000 2.694 261 R HA 0.067 4.357 4.340 -0.083 0.000 0.268 261 R C -2.077 174.297 176.300 0.124 0.000 1.061 261 R CA -1.472 54.675 56.100 0.078 0.000 1.133 261 R CB -0.187 30.194 30.300 0.134 0.000 1.020 261 R HN 0.317 nan 8.270 nan 0.000 0.475 262 P HA -0.202 nan 4.420 nan 0.000 0.216 262 P C 1.347 178.706 177.300 0.098 0.000 1.153 262 P CA 1.978 65.164 63.100 0.144 0.000 0.858 262 P CB -0.062 31.793 31.700 0.259 0.000 0.789 263 T N -2.784 111.869 114.554 0.166 0.000 2.699 263 T HA -0.251 4.049 4.350 -0.083 0.000 0.268 263 T C 1.892 176.592 174.700 0.000 0.000 1.036 263 T CA 1.209 63.289 62.100 -0.032 0.000 1.147 263 T CB -0.966 67.838 68.868 -0.106 0.000 0.862 263 T HN 0.062 nan 8.240 nan 0.000 0.446 264 Q N 0.900 120.719 119.800 0.031 0.000 2.083 264 Q HA 0.016 4.307 4.340 -0.083 0.000 0.198 264 Q C 2.572 178.555 176.000 -0.027 0.000 0.969 264 Q CA 1.362 57.171 55.803 0.010 0.000 0.838 264 Q CB -0.364 28.390 28.738 0.027 0.000 0.900 264 Q HN 0.675 nan 8.270 nan 0.000 0.436 265 R N 0.281 120.738 120.500 -0.071 0.000 2.094 265 R HA -0.132 4.159 4.340 -0.083 0.000 0.239 265 R C 2.393 178.608 176.300 -0.142 0.000 1.137 265 R CA 1.362 57.358 56.100 -0.173 0.000 0.943 265 R CB -0.316 29.757 30.300 -0.379 0.000 0.850 265 R HN 0.208 nan 8.270 nan 0.000 0.433 266 L N 0.136 121.293 121.223 -0.110 0.000 2.093 266 L HA -0.095 4.196 4.340 -0.083 0.000 0.208 266 L C 2.771 179.664 176.870 0.039 0.000 1.085 266 L CA 1.195 56.009 54.840 -0.043 0.000 0.755 266 L CB -0.626 41.437 42.059 0.006 0.000 0.904 266 L HN 0.376 nan 8.230 nan 0.000 0.435 267 A N -0.040 122.789 122.820 0.015 0.000 1.902 267 A HA -0.216 4.055 4.320 -0.083 0.000 0.217 267 A C 1.865 179.457 177.584 0.013 0.000 1.181 267 A CA 1.879 53.927 52.037 0.019 0.000 0.623 267 A CB -0.463 18.541 19.000 0.006 0.000 0.818 267 A HN 0.334 nan 8.150 nan 0.000 0.443 268 D N 0.004 120.402 120.400 -0.003 0.000 2.264 268 D HA -0.095 4.495 4.640 -0.083 0.000 0.208 268 D C 1.591 177.892 176.300 0.001 0.000 0.966 268 D CA 1.409 55.407 54.000 -0.003 0.000 0.864 268 D CB -0.264 40.529 40.800 -0.011 0.000 0.933 268 D HN 0.759 nan 8.370 nan 0.000 0.499 269 I N -4.155 116.417 120.570 0.003 0.000 3.904 269 I HA 0.371 4.491 4.170 -0.083 0.000 0.333 269 I C 1.130 177.278 176.117 0.051 0.000 1.361 269 I CA 0.118 61.428 61.300 0.017 0.000 1.116 269 I CB 0.058 38.056 38.000 -0.004 0.000 1.028 269 I HN -0.067 nan 8.210 nan 0.000 0.398 270 G N 1.671 110.501 108.800 0.050 0.000 2.179 270 G HA2 -0.375 3.535 3.960 -0.083 0.000 0.257 270 G HA3 -0.375 3.535 3.960 -0.083 0.000 0.257 270 G C 0.462 175.400 174.900 0.064 0.000 1.010 270 G CA 0.644 45.769 45.100 0.042 0.000 0.736 270 G HN 0.595 nan 8.290 nan 0.000 0.513 271 F N 0.152 120.072 119.950 -0.049 0.000 2.259 271 F HA 0.383 4.860 4.527 -0.084 0.000 0.298 271 F C 1.471 177.244 175.800 -0.045 0.000 1.088 271 F CA 0.513 58.481 58.000 -0.053 0.000 1.358 271 F CB 0.152 39.111 39.000 -0.068 0.000 1.040 271 F HN 0.146 nan 8.300 nan 0.000 0.505 272 L N 2.145 123.395 121.223 0.045 0.000 2.319 272 L HA 0.218 4.509 4.340 -0.083 0.000 0.280 272 L C -0.624 176.194 176.870 -0.087 0.000 1.099 272 L CA -0.229 54.591 54.840 -0.034 0.000 0.828 272 L CB 0.535 42.613 42.059 0.032 0.000 1.150 272 L HN 0.368 nan 8.230 nan 0.000 0.442 273 N N -0.168 118.458 118.700 -0.122 0.000 3.308 273 N HA 0.116 4.807 4.740 -0.083 0.000 0.276 273 N C -0.050 175.414 175.510 -0.076 0.000 1.533 273 N CA -0.862 52.135 53.050 -0.089 0.000 0.878 273 N CB 0.643 39.071 38.487 -0.098 0.000 1.566 273 N HN 0.326 nan 8.380 nan 0.000 0.546 274 E N -0.644 119.524 120.200 -0.053 0.000 2.204 274 E HA -0.174 4.126 4.350 -0.083 0.000 0.195 274 E C 1.100 177.681 176.600 -0.032 0.000 0.990 274 E CA 1.132 57.511 56.400 -0.036 0.000 0.821 274 E CB -0.121 29.564 29.700 -0.024 0.000 0.750 274 E HN 0.515 nan 8.360 nan 0.000 0.477 275 R N 0.536 121.011 120.500 -0.042 0.000 2.297 275 R HA 0.092 4.382 4.340 -0.083 0.000 0.197 275 R C 0.444 176.734 176.300 -0.017 0.000 0.943 275 R CA 0.091 56.181 56.100 -0.017 0.000 1.038 275 R CB -0.011 30.284 30.300 -0.009 0.000 0.957 275 R HN -0.125 nan 8.270 nan 0.000 0.484 276 V N 2.783 122.653 119.914 -0.073 0.000 2.498 276 V HA 0.156 4.226 4.120 -0.083 0.000 0.279 276 V C 0.306 176.368 176.094 -0.054 0.000 1.048 276 V CA -0.551 61.696 62.300 -0.089 0.000 0.967 276 V CB 1.437 33.158 31.823 -0.170 0.000 0.988 276 V HN 0.400 nan 8.190 nan 0.000 0.473 277 S N 3.644 119.303 115.700 -0.068 0.000 2.475 277 S HA 0.557 4.977 4.470 -0.083 0.000 0.298 277 S C -0.627 173.909 174.600 -0.105 0.000 1.119 277 S CA -0.727 57.424 58.200 -0.083 0.000 1.085 277 S CB 1.210 64.359 63.200 -0.084 0.000 1.028 277 S HN 0.665 nan 8.310 nan 0.000 0.489 278 C N 3.605 122.850 119.300 -0.091 0.000 2.281 278 C HA 0.615 5.026 4.460 -0.083 0.000 0.323 278 C C 0.269 175.168 174.990 -0.151 0.000 1.270 278 C CA -0.800 58.164 59.018 -0.089 0.000 1.559 278 C CB -0.088 27.613 27.740 -0.065 0.000 2.239 278 C HN 0.788 nan 8.230 nan 0.000 0.488 279 V N 5.857 125.630 119.914 -0.235 0.000 2.509 279 V HA 0.545 4.615 4.120 -0.083 0.000 0.284 279 V C 0.198 176.043 176.094 -0.416 0.000 1.047 279 V CA 0.402 62.397 62.300 -0.509 0.000 0.952 279 V CB 0.312 31.568 31.823 -0.944 0.000 0.988 279 V HN 1.016 nan 8.190 nan 0.000 0.469 283 Q N 1.975 121.852 119.800 0.129 0.000 2.430 283 Q HA 0.696 4.987 4.340 -0.083 0.000 0.245 283 Q C -1.012 175.103 176.000 0.192 0.000 1.021 283 Q CA -0.280 55.589 55.803 0.109 0.000 0.867 283 Q CB 2.114 30.861 28.738 0.015 0.000 1.210 283 Q HN 0.457 nan 8.270 nan 0.000 0.487 284 V N 3.134 123.127 119.914 0.130 0.000 2.577 284 V HA 0.353 4.424 4.120 -0.083 0.000 0.303 284 V C -0.362 175.781 176.094 0.082 0.000 1.042 284 V CA -0.873 61.501 62.300 0.122 0.000 0.872 284 V CB 2.009 33.876 31.823 0.072 0.000 0.998 284 V HN 0.728 nan 8.190 nan 0.000 0.423 285 D N 1.649 122.099 120.400 0.084 0.000 2.553 285 D HA 0.359 4.949 4.640 -0.083 0.000 0.249 285 D C 0.374 176.697 176.300 0.039 0.000 1.062 285 D CA -0.677 53.355 54.000 0.053 0.000 1.085 285 D CB 1.065 41.894 40.800 0.049 0.000 1.350 285 D HN 0.220 nan 8.370 nan 0.000 0.575 286 D N -0.471 119.946 120.400 0.027 0.000 2.178 286 D HA 0.014 4.604 4.640 -0.083 0.000 0.202 286 D C 2.043 178.354 176.300 0.018 0.000 0.974 286 D CA 1.605 55.616 54.000 0.018 0.000 0.841 286 D CB -0.534 40.273 40.800 0.013 0.000 0.953 286 D HN 0.640 nan 8.370 nan 0.000 0.478 287 G N 0.971 109.787 108.800 0.026 0.000 2.418 287 G HA2 -0.235 3.675 3.960 -0.083 0.000 0.217 287 G HA3 -0.235 3.675 3.960 -0.083 0.000 0.217 287 G C 1.298 176.212 174.900 0.024 0.000 1.158 287 G CA 0.695 45.810 45.100 0.025 0.000 0.771 287 G HN 0.132 nan 8.290 nan 0.000 0.545 288 D N 0.853 121.275 120.400 0.037 0.000 2.104 288 D HA -0.110 4.481 4.640 -0.083 0.000 0.194 288 D C 2.519 178.812 176.300 -0.011 0.000 0.994 288 D CA 0.660 54.669 54.000 0.013 0.000 0.830 288 D CB -0.277 40.544 40.800 0.035 0.000 0.959 288 D HN 0.371 nan 8.370 nan 0.000 0.452 289 I N 0.816 121.386 120.570 -0.001 0.000 2.226 289 I HA -0.238 3.882 4.170 -0.083 0.000 0.245 289 I C 2.447 178.559 176.117 -0.010 0.000 1.100 289 I CA 1.018 62.313 61.300 -0.008 0.000 1.374 289 I CB -0.105 37.893 38.000 -0.003 0.000 1.057 289 I HN -0.069 nan 8.210 nan 0.000 0.413 290 K N 0.743 121.141 120.400 -0.003 0.000 2.026 290 K HA -0.139 4.131 4.320 -0.083 0.000 0.208 290 K C 2.123 178.718 176.600 -0.007 0.000 1.048 290 K CA 1.515 57.800 56.287 -0.004 0.000 0.929 290 K CB -0.314 32.187 32.500 0.001 0.000 0.713 290 K HN 0.338 nan 8.250 nan 0.000 0.439 291 I N 1.213 121.778 120.570 -0.008 0.000 2.208 291 I HA -0.308 3.812 4.170 -0.083 0.000 0.245 291 I C 2.317 178.421 176.117 -0.021 0.000 1.097 291 I CA 1.106 62.399 61.300 -0.013 0.000 1.363 291 I CB -0.192 37.799 38.000 -0.015 0.000 1.051 291 I HN 0.115 nan 8.210 nan 0.000 0.413 292 L N -0.202 121.004 121.223 -0.028 0.000 2.056 292 L HA -0.233 4.057 4.340 -0.083 0.000 0.207 292 L C 2.626 179.482 176.870 -0.024 0.000 1.078 292 L CA 1.394 56.215 54.840 -0.033 0.000 0.749 292 L CB -0.542 41.493 42.059 -0.040 0.000 0.901 292 L HN 0.291 nan 8.230 nan 0.000 0.433 293 Q N -0.161 119.628 119.800 -0.019 0.000 2.124 293 Q HA -0.259 4.031 4.340 -0.083 0.000 0.202 293 Q C 2.203 178.195 176.000 -0.013 0.000 0.977 293 Q CA 1.571 57.365 55.803 -0.015 0.000 0.850 293 Q CB -0.021 28.710 28.738 -0.011 0.000 0.901 293 Q HN 0.289 nan 8.270 nan 0.000 0.429 294 K N -0.198 120.195 120.400 -0.012 0.000 2.025 294 K HA -0.110 4.161 4.320 -0.083 0.000 0.207 294 K C 2.161 178.753 176.600 -0.014 0.000 1.049 294 K CA 1.779 58.059 56.287 -0.011 0.000 0.933 294 K CB -0.048 32.448 32.500 -0.008 0.000 0.714 294 K HN 0.347 nan 8.250 nan 0.000 0.438 295 T N -3.921 110.623 114.554 -0.017 0.000 3.067 295 T HA 0.167 4.467 4.350 -0.083 0.000 0.257 295 T C 1.398 176.082 174.700 -0.027 0.000 1.105 295 T CA 0.467 62.554 62.100 -0.022 0.000 1.104 295 T CB 0.304 69.159 68.868 -0.022 0.000 0.925 295 T HN 0.305 nan 8.240 nan 0.000 0.498 296 G N 1.440 110.226 108.800 -0.024 0.000 2.148 296 G HA2 -0.064 3.847 3.960 -0.083 0.000 0.254 296 G HA3 -0.064 3.847 3.960 -0.083 0.000 0.254 296 G C 0.317 175.201 174.900 -0.028 0.000 0.981 296 G CA 0.028 45.114 45.100 -0.024 0.000 0.670 296 G HN 1.165 nan 8.290 nan 0.000 0.528 297 A N -0.302 122.498 122.820 -0.033 0.000 2.366 297 A HA 0.769 5.039 4.320 -0.083 0.000 0.249 297 A C 0.827 178.392 177.584 -0.033 0.000 1.084 297 A CA 0.927 52.942 52.037 -0.037 0.000 0.794 297 A CB 0.637 19.612 19.000 -0.041 0.000 1.034 297 A HN 0.955 nan 8.150 nan 0.000 0.491 298 S N -0.119 115.562 115.700 -0.033 0.000 2.651 298 S HA 0.611 5.032 4.470 -0.083 0.000 0.291 298 S C -0.363 174.211 174.600 -0.042 0.000 1.141 298 S CA -0.403 57.779 58.200 -0.029 0.000 1.027 298 S CB 0.656 63.846 63.200 -0.018 0.000 1.043 298 S HN 0.463 nan 8.310 nan 0.000 0.530 299 I N 2.632 123.179 120.570 -0.039 0.000 2.378 299 I HA 0.415 4.536 4.170 -0.083 0.000 0.291 299 I C -0.503 175.589 176.117 -0.041 0.000 0.992 299 I CA -0.507 60.764 61.300 -0.049 0.000 1.154 299 I CB 1.232 39.207 38.000 -0.042 0.000 1.315 299 I HN 0.526 nan 8.210 nan 0.000 0.448 300 I N 5.770 126.292 120.570 -0.079 0.000 2.312 300 I HA 0.156 4.276 4.170 -0.083 0.000 0.290 300 I C -0.086 175.996 176.117 -0.059 0.000 1.008 300 I CA -0.609 60.646 61.300 -0.075 0.000 1.226 300 I CB 0.754 38.675 38.000 -0.133 0.000 1.371 300 I HN 0.454 nan 8.210 nan 0.000 0.468 301 H N 6.254 125.265 119.070 -0.098 0.000 2.668 301 H HA 0.343 4.848 4.556 -0.085 0.000 0.303 301 H C -1.009 174.281 175.328 -0.064 0.000 1.074 301 H CA -0.830 55.176 56.048 -0.069 0.000 1.406 301 H CB 0.914 30.656 29.762 -0.033 0.000 1.442 301 H HN 0.588 nan 8.280 nan 0.000 0.482 302 C N 10.059 129.216 119.300 -0.239 0.000 2.955 302 C HA 0.198 4.608 4.460 -0.083 0.000 0.262 302 C C -1.258 173.561 174.990 -0.286 0.000 1.279 302 C CA -0.992 57.892 59.018 -0.224 0.000 1.615 302 C CB 0.530 28.256 27.740 -0.023 0.000 1.755 302 C HN 0.775 nan 8.230 nan 0.000 0.452 303 P HA -0.150 nan 4.420 nan 0.000 0.215 303 P C 1.242 178.438 177.300 -0.173 0.000 1.157 303 P CA 1.710 64.593 63.100 -0.362 0.000 0.863 303 P CB 0.465 31.957 31.700 -0.348 0.000 0.787 304 E N -0.104 120.005 120.200 -0.152 0.000 2.072 304 E HA -0.116 4.185 4.350 -0.083 0.000 0.191 304 E C 2.358 178.890 176.600 -0.112 0.000 0.985 304 E CA 1.157 57.492 56.400 -0.109 0.000 0.801 304 E CB -0.483 29.164 29.700 -0.089 0.000 0.750 304 E HN 0.179 nan 8.360 nan 0.000 0.452 305 S N 0.822 116.467 115.700 -0.091 0.000 2.368 305 S HA -0.143 4.278 4.470 -0.083 0.000 0.225 305 S C 1.744 176.257 174.600 -0.144 0.000 1.030 305 S CA 1.210 59.358 58.200 -0.088 0.000 0.999 305 S CB -0.158 63.055 63.200 0.021 0.000 0.844 305 S HN 0.177 nan 8.310 nan 0.000 0.459 306 N N 1.696 120.316 118.700 -0.132 0.000 2.104 306 N HA -0.037 4.653 4.740 -0.083 0.000 0.190 306 N C 1.759 177.117 175.510 -0.254 0.000 1.024 306 N CA 1.286 54.223 53.050 -0.189 0.000 0.853 306 N CB -0.715 37.688 38.487 -0.139 0.000 1.008 306 N HN 0.410 nan 8.380 nan 0.000 0.424 307 L N 0.910 121.991 121.223 -0.236 0.000 1.994 307 L HA -0.127 4.163 4.340 -0.083 0.000 0.208 307 L C 2.462 179.211 176.870 -0.202 0.000 1.071 307 L CA 1.213 55.908 54.840 -0.241 0.000 0.745 307 L CB -0.428 41.538 42.059 -0.154 0.000 0.892 307 L HN 0.152 nan 8.230 nan 0.000 0.431 308 K N 0.525 120.813 120.400 -0.186 0.000 2.074 308 K HA -0.166 4.104 4.320 -0.083 0.000 0.209 308 K C 1.792 178.239 176.600 -0.256 0.000 1.048 308 K CA 1.391 57.557 56.287 -0.202 0.000 0.926 308 K CB -0.047 32.329 32.500 -0.207 0.000 0.713 308 K HN 0.249 nan 8.250 nan 0.000 0.444 309 L N 0.054 121.107 121.223 -0.283 0.000 2.628 309 L HA 0.223 4.513 4.340 -0.083 0.000 0.229 309 L C 0.414 177.151 176.870 -0.221 0.000 1.137 309 L CA 0.141 54.800 54.840 -0.301 0.000 0.909 309 L CB 0.243 42.095 42.059 -0.345 0.000 1.137 309 L HN 0.236 nan 8.230 nan 0.000 0.470 310 A N -0.394 122.298 122.820 -0.212 0.000 2.791 310 A HA -0.232 4.038 4.320 -0.083 0.000 0.292 310 A C 1.590 179.064 177.584 -0.183 0.000 1.487 310 A CA 0.876 52.799 52.037 -0.190 0.000 0.760 310 A CB -1.953 16.966 19.000 -0.134 0.000 1.031 310 A HN 0.422 nan 8.150 nan 0.000 0.503 311 S N -1.269 114.302 115.700 -0.215 0.000 2.425 311 S HA 0.442 4.862 4.470 -0.083 0.000 0.225 311 S C 1.464 175.969 174.600 -0.160 0.000 1.024 311 S CA 1.450 59.546 58.200 -0.173 0.000 0.951 311 S CB 0.198 63.276 63.200 -0.204 0.000 0.796 311 S HN 2.496 nan 8.310 nan 0.000 0.498 312 G N 0.389 109.020 108.800 -0.283 0.000 2.278 312 G HA2 0.222 4.132 3.960 -0.083 0.000 0.265 312 G HA3 0.222 4.132 3.960 -0.083 0.000 0.265 312 G C -1.907 172.706 174.900 -0.478 0.000 1.329 312 G CA -1.080 43.855 45.100 -0.275 0.000 1.017 312 G HN 0.156 nan 8.290 nan 0.000 0.472 313 F N 0.655 120.625 119.950 0.034 0.000 2.610 313 F HA 0.493 5.018 4.527 -0.002 0.000 0.355 313 F C 0.851 176.678 175.800 0.045 0.000 1.140 313 F CA -0.693 57.337 58.000 0.050 0.000 1.037 313 F CB 1.582 40.599 39.000 0.029 0.000 1.287 313 F HN 0.610 nan 8.300 nan 0.000 0.457 314 C N 6.728 126.144 119.300 0.192 0.000 2.638 314 C HA 0.188 4.598 4.460 -0.083 0.000 0.410 314 C C -1.421 173.564 174.990 -0.008 0.000 1.404 314 C CA -1.191 57.873 59.018 0.077 0.000 1.651 314 C CB -0.346 27.427 27.740 0.054 0.000 2.495 314 C HN 0.550 nan 8.230 nan 0.000 0.606 315 P HA 0.114 nan 4.420 nan 0.000 0.225 315 P C 0.923 178.178 177.300 -0.074 0.000 1.813 315 P CA 0.123 63.211 63.100 -0.020 0.000 1.013 315 P CB -0.514 31.189 31.700 0.005 0.000 1.961 316 I N -1.146 119.330 120.570 -0.156 0.000 2.454 316 I HA -0.174 3.946 4.170 -0.083 0.000 0.254 316 I C 1.845 177.913 176.117 -0.082 0.000 1.156 316 I CA 1.173 62.372 61.300 -0.169 0.000 1.433 316 I CB -0.816 37.008 38.000 -0.293 0.000 1.082 316 I HN 0.001 nan 8.210 nan 0.000 0.432 317 A N 1.938 124.725 122.820 -0.054 0.000 1.877 317 A HA -0.235 4.035 4.320 -0.083 0.000 0.216 317 A C 2.534 180.103 177.584 -0.024 0.000 1.186 317 A CA 2.141 54.162 52.037 -0.028 0.000 0.620 317 A CB -0.662 18.328 19.000 -0.016 0.000 0.822 317 A HN 0.531 nan 8.150 nan 0.000 0.443 318 K N -0.381 120.004 120.400 -0.025 0.000 2.057 318 K HA -0.074 4.196 4.320 -0.083 0.000 0.207 318 K C 1.921 178.509 176.600 -0.020 0.000 1.049 318 K CA 1.407 57.683 56.287 -0.018 0.000 0.931 318 K CB -0.318 32.174 32.500 -0.013 0.000 0.714 318 K HN 0.473 nan 8.250 nan 0.000 0.440 319 L N 0.351 121.556 121.223 -0.030 0.000 2.046 319 L HA -0.176 4.114 4.340 -0.083 0.000 0.208 319 L C 2.698 179.552 176.870 -0.027 0.000 1.077 319 L CA 1.323 56.144 54.840 -0.031 0.000 0.747 319 L CB -0.577 41.454 42.059 -0.046 0.000 0.896 319 L HN 0.274 nan 8.230 nan 0.000 0.432 320 S N -0.079 115.604 115.700 -0.029 0.000 2.359 320 S HA -0.222 4.199 4.470 -0.083 0.000 0.224 320 S C 2.133 176.725 174.600 -0.013 0.000 1.035 320 S CA 1.358 59.547 58.200 -0.019 0.000 1.018 320 S CB -0.181 63.009 63.200 -0.016 0.000 0.876 320 S HN 0.434 nan 8.310 nan 0.000 0.448 321 A N 0.661 123.474 122.820 -0.012 0.000 2.070 321 A HA 0.263 4.534 4.320 -0.083 0.000 0.220 321 A C 2.079 179.658 177.584 -0.008 0.000 1.159 321 A CA 1.603 53.635 52.037 -0.008 0.000 0.656 321 A CB -0.858 18.138 19.000 -0.008 0.000 0.800 321 A HN 0.784 nan 8.150 nan 0.000 0.453 322 A N -0.968 121.846 122.820 -0.010 0.000 2.337 322 A HA 0.307 4.578 4.320 -0.083 0.000 0.227 322 A C 0.641 178.219 177.584 -0.010 0.000 1.259 322 A CA 0.402 52.434 52.037 -0.010 0.000 0.870 322 A CB -0.851 18.143 19.000 -0.010 0.000 0.927 322 A HN 0.663 nan 8.150 nan 0.000 0.497 323 N N -0.565 118.129 118.700 -0.010 0.000 2.725 323 N HA -0.131 4.560 4.740 -0.083 0.000 0.249 323 N C -0.546 174.957 175.510 -0.012 0.000 1.103 323 N CA 0.512 53.556 53.050 -0.009 0.000 0.707 323 N CB -1.069 37.414 38.487 -0.007 0.000 1.043 323 N HN 0.396 nan 8.380 nan 0.000 0.553 324 I N 0.657 121.217 120.570 -0.016 0.000 2.416 324 I HA 0.220 4.340 4.170 -0.083 0.000 0.288 324 I C -1.695 174.412 176.117 -0.017 0.000 1.051 324 I CA -2.155 59.133 61.300 -0.019 0.000 1.375 324 I CB -0.066 37.919 38.000 -0.025 0.000 1.407 324 I HN -0.159 nan 8.210 nan 0.000 0.516 325 P HA 0.267 nan 4.420 nan 0.000 0.267 325 P C -0.663 176.630 177.300 -0.012 0.000 1.205 325 P CA 0.081 63.174 63.100 -0.010 0.000 0.765 325 P CB 0.569 32.264 31.700 -0.009 0.000 0.828 326 L N 2.418 123.638 121.223 -0.005 0.000 2.362 326 L HA 0.823 5.113 4.340 -0.083 0.000 0.271 326 L C 0.144 177.024 176.870 0.015 0.000 1.002 326 L CA -0.588 54.251 54.840 -0.002 0.000 0.818 326 L CB 2.110 44.163 42.059 -0.010 0.000 1.298 326 L HN 0.381 nan 8.230 nan 0.000 0.420 327 A N 3.216 126.050 122.820 0.024 0.000 2.524 327 A HA 0.909 5.179 4.320 -0.083 0.000 0.286 327 A C -1.272 176.339 177.584 0.044 0.000 1.203 327 A CA -0.550 51.507 52.037 0.033 0.000 0.736 327 A CB 1.602 20.618 19.000 0.027 0.000 1.322 327 A HN 0.563 nan 8.150 nan 0.000 0.424 328 I N -0.243 120.342 120.570 0.024 0.000 2.647 328 I HA 0.623 4.743 4.170 -0.083 0.000 0.295 328 I C 0.293 176.391 176.117 -0.032 0.000 1.078 328 I CA -0.534 60.759 61.300 -0.011 0.000 1.048 328 I CB 2.549 40.520 38.000 -0.050 0.000 1.239 328 I HN 0.827 nan 8.210 nan 0.000 0.421 329 G N 1.162 109.930 108.800 -0.054 0.000 2.619 329 G HA2 0.461 4.371 3.960 -0.083 0.000 0.296 329 G HA3 0.461 4.371 3.960 -0.083 0.000 0.296 329 G C 0.316 175.185 174.900 -0.053 0.000 1.334 329 G CA -0.192 44.894 45.100 -0.023 0.000 0.934 329 G HN 0.622 nan 8.290 nan 0.000 0.476 330 T N -1.926 112.601 114.554 -0.044 0.000 3.054 330 T HA 0.177 4.478 4.350 -0.083 0.000 0.259 330 T C 0.768 175.481 174.700 0.022 0.000 1.092 330 T CA 1.053 63.125 62.100 -0.046 0.000 1.121 330 T CB -0.097 68.734 68.868 -0.062 0.000 0.912 330 T HN 0.701 nan 8.240 nan 0.000 0.489 331 D N 0.420 120.865 120.400 0.075 0.000 4.160 331 D HA -0.081 4.509 4.640 -0.083 0.000 0.291 331 D C 0.325 176.690 176.300 0.108 0.000 2.226 331 D CA 1.444 55.544 54.000 0.168 0.000 1.157 331 D CB -1.158 39.812 40.800 0.282 0.000 1.020 331 D HN 0.632 nan 8.370 nan 0.000 1.219 332 G N -1.450 107.516 108.800 0.277 0.000 2.477 332 G HA2 0.585 4.495 3.960 -0.083 0.000 0.304 332 G HA3 0.585 4.495 3.960 -0.083 0.000 0.304 332 G C 0.755 175.751 174.900 0.159 0.000 1.175 332 G CA 0.416 45.654 45.100 0.230 0.000 0.907 332 G HN 0.719 nan 8.290 nan 0.000 0.509 333 A N 0.094 122.978 122.820 0.107 0.000 2.209 333 A HA 0.341 4.611 4.320 -0.083 0.000 0.212 333 A C 2.250 179.928 177.584 0.157 0.000 1.158 333 A CA 1.684 53.773 52.037 0.087 0.000 0.742 333 A CB -0.209 18.809 19.000 0.030 0.000 0.790 333 A HN 1.135 nan 8.150 nan 0.000 0.472 334 A N -0.185 122.793 122.820 0.265 0.000 2.218 334 A HA 0.301 4.571 4.320 -0.083 0.000 0.209 334 A C 1.295 179.122 177.584 0.405 0.000 1.168 334 A CA 1.020 53.293 52.037 0.394 0.000 0.804 334 A CB -0.258 19.041 19.000 0.499 0.000 0.834 334 A HN 1.014 nan 8.150 nan 0.000 0.482 335 S N -1.148 114.684 115.700 0.219 0.000 2.569 335 S HA 0.328 4.748 4.470 -0.083 0.000 0.215 335 S C -0.042 174.544 174.600 -0.023 0.000 1.096 335 S CA -0.299 57.879 58.200 -0.037 0.000 1.183 335 S CB -0.259 62.805 63.200 -0.226 0.000 1.324 335 S HN 0.385 nan 8.310 nan 0.000 0.421 336 N N 1.903 120.602 118.700 -0.003 0.000 3.137 336 N HA 0.153 4.843 4.740 -0.083 0.000 0.265 336 N C -0.467 175.025 175.510 -0.029 0.000 0.926 336 N CA 0.159 53.197 53.050 -0.020 0.000 1.169 336 N CB 0.175 38.661 38.487 -0.002 0.000 1.394 336 N HN 0.342 nan 8.380 nan 0.000 1.009 337 N N 1.607 120.300 118.700 -0.012 0.000 2.282 337 N HA 0.160 4.850 4.740 -0.083 0.000 0.240 337 N C -1.314 174.199 175.510 0.005 0.000 1.182 337 N CA -0.056 53.003 53.050 0.014 0.000 0.874 337 N CB 0.786 39.290 38.487 0.028 0.000 1.126 337 N HN 0.520 nan 8.380 nan 0.000 0.516 338 D N -1.325 119.068 120.400 -0.012 0.000 2.525 338 D HA 0.349 4.939 4.640 -0.083 0.000 0.249 338 D C 0.286 176.565 176.300 -0.035 0.000 1.072 338 D CA -0.659 53.328 54.000 -0.022 0.000 1.067 338 D CB 1.069 41.856 40.800 -0.022 0.000 1.282 338 D HN -0.146 nan 8.370 nan 0.000 0.587 339 L N -0.300 120.897 121.223 -0.044 0.000 3.141 339 L HA 0.328 4.619 4.340 -0.083 0.000 0.267 339 L C 0.033 176.867 176.870 -0.060 0.000 1.281 339 L CA -0.493 54.311 54.840 -0.060 0.000 1.037 339 L CB -0.077 41.935 42.059 -0.077 0.000 1.407 339 L HN 0.418 nan 8.230 nan 0.000 0.566 343 S N 0.366 116.083 115.700 0.029 0.000 2.368 343 S HA -0.197 4.223 4.470 -0.083 0.000 0.225 343 S C 1.839 176.387 174.600 -0.088 0.000 1.030 343 S CA 2.310 60.501 58.200 -0.016 0.000 0.999 343 S CB -0.133 63.060 63.200 -0.012 0.000 0.844 343 S HN 0.368 nan 8.310 nan 0.000 0.459 344 E N 0.385 120.483 120.200 -0.169 0.000 2.077 344 E HA -0.066 4.234 4.350 -0.083 0.000 0.193 344 E C 2.043 178.528 176.600 -0.191 0.000 0.989 344 E CA 1.842 58.130 56.400 -0.187 0.000 0.800 344 E CB -0.552 29.011 29.700 -0.228 0.000 0.746 344 E HN 0.550 nan 8.360 nan 0.000 0.452 345 T N 0.788 115.175 114.554 -0.277 0.000 2.777 345 T HA -0.117 4.183 4.350 -0.083 0.000 0.266 345 T C 1.690 176.325 174.700 -0.109 0.000 1.040 345 T CA 1.215 63.179 62.100 -0.226 0.000 1.141 345 T CB -0.174 68.467 68.868 -0.379 0.000 0.868 345 T HN 0.065 nan 8.240 nan 0.000 0.444 346 K N 1.114 121.463 120.400 -0.084 0.000 2.026 346 K HA -0.121 4.149 4.320 -0.083 0.000 0.208 346 K C 2.207 178.837 176.600 0.049 0.000 1.048 346 K CA 1.579 57.864 56.287 -0.004 0.000 0.929 346 K CB -0.727 31.796 32.500 0.038 0.000 0.713 346 K HN 0.282 nan 8.250 nan 0.000 0.439 347 T N 1.227 115.789 114.554 0.013 0.000 2.720 347 T HA -0.129 4.171 4.350 -0.083 0.000 0.268 347 T C 1.928 176.668 174.700 0.066 0.000 1.037 347 T CA 1.576 63.694 62.100 0.030 0.000 1.144 347 T CB -0.308 68.551 68.868 -0.015 0.000 0.864 347 T HN 0.422 nan 8.240 nan 0.000 0.444 348 A N 1.477 124.326 122.820 0.049 0.000 1.877 348 A HA 0.148 4.418 4.320 -0.083 0.000 0.216 348 A C 2.666 180.341 177.584 0.151 0.000 1.186 348 A CA 1.874 54.002 52.037 0.151 0.000 0.620 348 A CB -1.162 17.930 19.000 0.154 0.000 0.822 348 A HN 0.512 nan 8.150 nan 0.000 0.443 349 A N -0.429 122.459 122.820 0.113 0.000 1.902 349 A HA -0.005 4.265 4.320 -0.083 0.000 0.217 349 A C 2.195 179.895 177.584 0.192 0.000 1.181 349 A CA 1.488 53.615 52.037 0.150 0.000 0.623 349 A CB -0.537 18.547 19.000 0.139 0.000 0.818 349 A HN 0.470 nan 8.150 nan 0.000 0.443 350 L N -1.318 120.020 121.223 0.192 0.000 2.044 350 L HA -0.104 4.187 4.340 -0.083 0.000 0.205 350 L C 2.527 179.460 176.870 0.104 0.000 1.075 350 L CA 0.998 55.924 54.840 0.144 0.000 0.747 350 L CB -0.537 41.598 42.059 0.127 0.000 0.903 350 L HN 0.431 nan 8.230 nan 0.000 0.435 351 L N 0.449 121.745 121.223 0.122 0.000 2.079 351 L HA -0.151 4.140 4.340 -0.083 0.000 0.210 351 L C 2.579 179.515 176.870 0.111 0.000 1.081 351 L CA 1.941 56.862 54.840 0.136 0.000 0.752 351 L CB -0.677 41.501 42.059 0.198 0.000 0.896 351 L HN 0.155 nan 8.230 nan 0.000 0.433 352 A N -0.799 122.085 122.820 0.105 0.000 1.930 352 A HA -0.208 4.062 4.320 -0.083 0.000 0.217 352 A C 2.292 179.895 177.584 0.032 0.000 1.175 352 A CA 1.761 53.835 52.037 0.061 0.000 0.627 352 A CB -0.422 18.607 19.000 0.049 0.000 0.815 352 A HN 0.501 nan 8.150 nan 0.000 0.443 353 K N -0.559 119.865 120.400 0.040 0.000 2.057 353 K HA -0.058 4.212 4.320 -0.083 0.000 0.207 353 K C 2.113 178.708 176.600 -0.007 0.000 1.049 353 K CA 1.133 57.430 56.287 0.015 0.000 0.931 353 K CB -0.422 32.087 32.500 0.015 0.000 0.714 353 K HN 0.441 nan 8.250 nan 0.000 0.440 354 G N 0.745 109.542 108.800 -0.006 0.000 2.404 354 G HA2 -0.198 3.712 3.960 -0.083 0.000 0.215 354 G HA3 -0.198 3.712 3.960 -0.083 0.000 0.215 354 G C 1.587 176.442 174.900 -0.075 0.000 1.174 354 G CA 0.650 45.728 45.100 -0.037 0.000 0.780 354 G HN 0.088 nan 8.290 nan 0.000 0.537 355 V N 1.770 121.642 119.914 -0.070 0.000 2.343 355 V HA -0.162 3.908 4.120 -0.083 0.000 0.247 355 V C 3.124 179.169 176.094 -0.081 0.000 1.051 355 V CA 2.331 64.561 62.300 -0.118 0.000 1.036 355 V CB -0.368 31.422 31.823 -0.055 0.000 0.654 355 V HN 0.592 nan 8.190 nan 0.000 0.451 356 S N -1.021 114.652 115.700 -0.044 0.000 2.562 356 S HA -0.054 4.366 4.470 -0.083 0.000 0.221 356 S C 0.924 175.503 174.600 -0.035 0.000 0.975 356 S CA 0.258 58.437 58.200 -0.034 0.000 0.918 356 S CB -0.297 62.891 63.200 -0.019 0.000 0.772 356 S HN 0.690 nan 8.310 nan 0.000 0.531 357 Q N 0.636 120.411 119.800 -0.042 0.000 2.453 357 Q HA -0.182 4.108 4.340 -0.083 0.000 0.294 357 Q C -0.983 175.001 176.000 -0.027 0.000 1.295 357 Q CA 0.924 56.704 55.803 -0.038 0.000 0.853 357 Q CB -1.696 27.017 28.738 -0.041 0.000 1.193 357 Q HN 0.685 nan 8.270 nan 0.000 0.461 358 D N -1.579 118.809 120.400 -0.021 0.000 2.478 358 D HA 0.451 5.041 4.640 -0.083 0.000 0.240 358 D C 0.421 176.716 176.300 -0.009 0.000 1.364 358 D CA 0.340 54.331 54.000 -0.014 0.000 0.987 358 D CB 0.880 41.674 40.800 -0.010 0.000 1.328 358 D HN 0.080 nan 8.370 nan 0.000 0.584 359 A N 2.430 125.242 122.820 -0.015 0.000 2.125 359 A HA -0.101 4.169 4.320 -0.083 0.000 0.219 359 A C 1.752 179.333 177.584 -0.005 0.000 1.156 359 A CA 1.787 53.813 52.037 -0.018 0.000 0.671 359 A CB -0.209 18.773 19.000 -0.031 0.000 0.794 359 A HN 0.526 nan 8.150 nan 0.000 0.459 360 S N -0.973 114.728 115.700 0.002 0.000 2.548 360 S HA 0.547 4.968 4.470 -0.083 0.000 0.215 360 S C 0.883 175.498 174.600 0.026 0.000 0.976 360 S CA 0.283 58.492 58.200 0.015 0.000 0.908 360 S CB -0.436 62.770 63.200 0.009 0.000 0.781 360 S HN 0.806 nan 8.310 nan 0.000 0.519 361 A N 2.462 125.295 122.820 0.022 0.000 2.462 361 A HA 0.520 4.790 4.320 -0.083 0.000 0.243 361 A C 0.845 178.457 177.584 0.046 0.000 1.076 361 A CA -0.464 51.588 52.037 0.025 0.000 0.773 361 A CB -0.531 18.477 19.000 0.013 0.000 1.010 361 A HN 0.668 nan 8.150 nan 0.000 0.493 362 I N 0.858 121.452 120.570 0.041 0.000 7.174 362 I HA -0.141 3.979 4.170 -0.083 0.000 0.126 362 I C -2.027 174.143 176.117 0.088 0.000 1.730 362 I CA 0.078 61.410 61.300 0.053 0.000 2.263 362 I CB -2.657 35.375 38.000 0.054 0.000 3.407 362 I HN 0.509 nan 8.210 nan 0.000 0.233 363 P HA 0.103 nan 4.420 nan 0.000 0.271 363 P C 1.076 178.430 177.300 0.091 0.000 1.233 363 P CA 0.486 63.654 63.100 0.113 0.000 0.789 363 P CB 0.884 32.631 31.700 0.078 0.000 0.951 364 A N 1.810 124.691 122.820 0.100 0.000 1.903 364 A HA -0.250 4.020 4.320 -0.083 0.000 0.219 364 A C 2.096 179.672 177.584 -0.013 0.000 1.191 364 A CA 2.158 54.175 52.037 -0.033 0.000 0.638 364 A CB -1.697 17.263 19.000 -0.067 0.000 0.823 364 A HN 0.556 nan 8.150 nan 0.000 0.451 365 I N 0.021 120.599 120.570 0.014 0.000 2.264 365 I HA -0.230 3.890 4.170 -0.083 0.000 0.248 365 I C 2.207 178.333 176.117 0.015 0.000 1.111 365 I CA 2.300 63.605 61.300 0.009 0.000 1.382 365 I CB -0.376 37.630 38.000 0.010 0.000 1.060 365 I HN 0.599 nan 8.210 nan 0.000 0.418 366 E N 0.226 120.439 120.200 0.022 0.000 2.106 366 E HA -0.192 4.108 4.350 -0.083 0.000 0.192 366 E C 2.203 178.819 176.600 0.027 0.000 0.984 366 E CA 1.055 57.469 56.400 0.023 0.000 0.806 366 E CB -0.206 29.509 29.700 0.024 0.000 0.750 366 E HN 0.583 nan 8.360 nan 0.000 0.458 367 A N 1.184 124.018 122.820 0.023 0.000 1.877 367 A HA -0.151 4.119 4.320 -0.083 0.000 0.216 367 A C 2.202 179.813 177.584 0.044 0.000 1.186 367 A CA 1.178 53.227 52.037 0.020 0.000 0.620 367 A CB -0.706 18.285 19.000 -0.016 0.000 0.822 367 A HN 0.313 nan 8.150 nan 0.000 0.443 368 L N -0.265 120.991 121.223 0.055 0.000 2.046 368 L HA -0.108 4.182 4.340 -0.083 0.000 0.208 368 L C 1.549 178.479 176.870 0.100 0.000 1.077 368 L CA 0.928 55.840 54.840 0.121 0.000 0.747 368 L CB -1.215 40.880 42.059 0.060 0.000 0.896 368 L HN 0.287 nan 8.230 nan 0.000 0.432 372 T N -2.690 111.965 114.554 0.168 0.000 3.409 372 T HA 0.309 4.610 4.350 -0.083 0.000 0.188 372 T C 1.545 176.283 174.700 0.063 0.000 0.929 372 T CA 0.754 62.922 62.100 0.113 0.000 1.184 372 T CB -0.852 68.039 68.868 0.038 0.000 1.570 372 T HN 0.622 nan 8.240 nan 0.000 0.367 373 L N 2.686 123.931 121.223 0.037 0.000 2.079 373 L HA 0.237 4.527 4.340 -0.083 0.000 0.210 373 L C 2.549 179.436 176.870 0.028 0.000 1.081 373 L CA 2.397 57.251 54.840 0.024 0.000 0.752 373 L CB -1.198 40.868 42.059 0.012 0.000 0.896 373 L HN 0.622 nan 8.230 nan 0.000 0.433 374 G N -1.142 107.679 108.800 0.035 0.000 2.440 374 G HA2 -0.228 3.682 3.960 -0.083 0.000 0.218 374 G HA3 -0.228 3.682 3.960 -0.083 0.000 0.218 374 G C 1.508 176.429 174.900 0.035 0.000 1.154 374 G CA 0.610 45.728 45.100 0.031 0.000 0.767 374 G HN 0.585 nan 8.290 nan 0.000 0.552 375 G N 1.067 109.896 108.800 0.048 0.000 2.404 375 G HA2 0.065 3.975 3.960 -0.083 0.000 0.215 375 G HA3 0.065 3.975 3.960 -0.083 0.000 0.215 375 G C 2.088 177.017 174.900 0.048 0.000 1.174 375 G CA 1.545 46.678 45.100 0.054 0.000 0.780 375 G HN 0.644 nan 8.290 nan 0.000 0.537 376 A N 0.999 123.843 122.820 0.040 0.000 1.892 376 A HA -0.107 4.163 4.320 -0.083 0.000 0.218 376 A C 2.444 180.041 177.584 0.022 0.000 1.188 376 A CA 1.864 53.916 52.037 0.025 0.000 0.631 376 A CB -0.481 18.529 19.000 0.017 0.000 0.822 376 A HN 0.366 nan 8.150 nan 0.000 0.447 377 R N -0.733 119.780 120.500 0.021 0.000 2.091 377 R HA -0.116 4.175 4.340 -0.083 0.000 0.238 377 R C 2.502 178.816 176.300 0.023 0.000 1.136 377 R CA 1.265 57.375 56.100 0.016 0.000 0.959 377 R CB -0.541 29.766 30.300 0.011 0.000 0.856 377 R HN 0.533 nan 8.270 nan 0.000 0.437 378 A N 1.170 124.008 122.820 0.030 0.000 1.940 378 A HA -0.108 4.162 4.320 -0.083 0.000 0.219 378 A C 1.995 179.625 177.584 0.076 0.000 1.176 378 A CA 1.202 53.261 52.037 0.038 0.000 0.631 378 A CB -0.378 18.642 19.000 0.034 0.000 0.814 378 A HN 0.204 nan 8.150 nan 0.000 0.446 379 L N -1.372 119.903 121.223 0.087 0.000 2.592 379 L HA 0.230 4.520 4.340 -0.083 0.000 0.227 379 L C 1.534 178.436 176.870 0.052 0.000 1.127 379 L CA 0.442 55.355 54.840 0.122 0.000 0.884 379 L CB -0.356 41.751 42.059 0.080 0.000 1.065 379 L HN 0.578 nan 8.230 nan 0.000 0.457 380 G N 1.843 110.664 108.800 0.034 0.000 2.143 380 G HA2 -0.291 3.620 3.960 -0.083 0.000 0.248 380 G HA3 -0.291 3.620 3.960 -0.083 0.000 0.248 380 G C 0.657 175.554 174.900 -0.006 0.000 0.991 380 G CA 0.529 45.636 45.100 0.012 0.000 0.689 380 G HN 0.592 nan 8.290 nan 0.000 0.522 381 I N -2.302 118.264 120.570 -0.007 0.000 4.009 381 I HA 0.276 4.396 4.170 -0.083 0.000 0.331 381 I C 1.478 177.590 176.117 -0.008 0.000 1.462 381 I CA 0.406 61.696 61.300 -0.016 0.000 1.117 381 I CB 0.132 38.113 38.000 -0.031 0.000 1.091 381 I HN 0.032 nan 8.210 nan 0.000 0.410 382 D N 1.959 122.358 120.400 -0.002 0.000 2.309 382 D HA -0.263 4.327 4.640 -0.083 0.000 0.212 382 D C 1.213 177.511 176.300 -0.004 0.000 0.968 382 D CA 1.267 55.267 54.000 -0.000 0.000 0.882 382 D CB -0.281 40.521 40.800 0.003 0.000 0.918 382 D HN 0.598 nan 8.370 nan 0.000 0.503 383 D N 1.851 122.248 120.400 -0.005 0.000 2.219 383 D HA -0.160 4.431 4.640 -0.083 0.000 0.205 383 D C 2.291 178.587 176.300 -0.007 0.000 0.970 383 D CA 0.740 54.737 54.000 -0.006 0.000 0.851 383 D CB -0.592 40.204 40.800 -0.006 0.000 0.943 383 D HN 0.592 nan 8.370 nan 0.000 0.488 384 I N -3.532 117.033 120.570 -0.009 0.000 3.939 384 I HA 0.253 4.374 4.170 -0.083 0.000 0.313 384 I C 0.538 176.650 176.117 -0.008 0.000 1.274 384 I CA 0.068 61.363 61.300 -0.009 0.000 1.301 384 I CB 0.943 38.937 38.000 -0.011 0.000 1.105 384 I HN -0.110 nan 8.210 nan 0.000 0.427 385 T N -0.625 113.925 114.554 -0.007 0.000 2.778 385 T HA 0.627 4.928 4.350 -0.083 0.000 0.293 385 T C 0.385 175.084 174.700 -0.002 0.000 1.144 385 T CA 0.280 62.378 62.100 -0.004 0.000 1.010 385 T CB 1.537 70.405 68.868 -0.000 0.000 1.325 385 T HN 0.565 nan 8.240 nan 0.000 0.515 386 G N 0.915 109.715 108.800 -0.001 0.000 2.232 386 G HA2 -0.090 3.820 3.960 -0.083 0.000 0.226 386 G HA3 -0.090 3.820 3.960 -0.083 0.000 0.226 386 G C 0.112 175.006 174.900 -0.010 0.000 0.996 386 G CA 0.767 45.868 45.100 0.002 0.000 0.626 386 G HN 1.801 nan 8.290 nan 0.000 0.509 387 S N -0.795 114.895 115.700 -0.016 0.000 2.596 387 S HA 0.733 5.153 4.470 -0.083 0.000 0.270 387 S C -0.655 173.927 174.600 -0.029 0.000 1.155 387 S CA -0.947 57.238 58.200 -0.024 0.000 0.827 387 S CB 1.707 64.896 63.200 -0.019 0.000 1.130 387 S HN 0.775 nan 8.310 nan 0.000 0.467 388 L N 1.586 122.788 121.223 -0.035 0.000 2.328 388 L HA 0.503 4.793 4.340 -0.083 0.000 0.280 388 L C -0.023 176.828 176.870 -0.033 0.000 1.111 388 L CA -0.128 54.689 54.840 -0.039 0.000 0.909 388 L CB -0.057 41.974 42.059 -0.046 0.000 1.277 388 L HN 0.566 nan 8.230 nan 0.000 0.433 389 K N 3.320 123.703 120.400 -0.028 0.000 2.371 389 K HA 0.483 4.753 4.320 -0.083 0.000 0.251 389 K C -2.577 174.010 176.600 -0.022 0.000 0.934 389 K CA -2.018 54.256 56.287 -0.022 0.000 0.798 389 K CB 2.530 35.020 32.500 -0.017 0.000 1.204 389 K HN 0.033 nan 8.250 nan 0.000 0.427 390 P HA -0.087 nan 4.420 nan 0.000 0.261 390 P C 0.587 177.878 177.300 -0.015 0.000 1.173 390 P CA 1.148 64.238 63.100 -0.017 0.000 0.760 390 P CB 0.485 32.180 31.700 -0.009 0.000 0.783 391 G N 2.185 110.974 108.800 -0.018 0.000 2.258 391 G HA2 -0.220 3.691 3.960 -0.083 0.000 0.233 391 G HA3 -0.220 3.691 3.960 -0.083 0.000 0.233 391 G C 0.155 175.046 174.900 -0.016 0.000 1.006 391 G CA -0.224 44.867 45.100 -0.014 0.000 0.620 391 G HN 0.534 nan 8.290 nan 0.000 0.511 392 K N 1.029 121.418 120.400 -0.018 0.000 2.098 392 K HA 0.703 4.973 4.320 -0.083 0.000 0.244 392 K C 0.826 177.414 176.600 -0.020 0.000 1.014 392 K CA -0.115 56.162 56.287 -0.017 0.000 0.917 392 K CB 1.072 33.562 32.500 -0.016 0.000 1.072 392 K HN 0.564 nan 8.250 nan 0.000 0.477 393 A N 0.729 123.541 122.820 -0.013 0.000 2.483 393 A HA 0.275 4.546 4.320 -0.083 0.000 0.238 393 A C 0.155 177.732 177.584 -0.012 0.000 1.070 393 A CA 0.030 52.062 52.037 -0.009 0.000 0.770 393 A CB 0.026 19.027 19.000 0.002 0.000 1.008 393 A HN 0.748 nan 8.150 nan 0.000 0.497 394 A N 2.580 125.393 122.820 -0.013 0.000 3.037 394 A HA 0.423 4.693 4.320 -0.083 0.000 0.272 394 A C -0.644 176.968 177.584 0.047 0.000 1.723 394 A CA -0.332 51.692 52.037 -0.022 0.000 1.413 394 A CB -0.720 18.237 19.000 -0.072 0.000 1.112 394 A HN 0.606 nan 8.150 nan 0.000 0.606 395 D N 1.402 121.829 120.400 0.044 0.000 2.443 395 D HA 0.560 5.150 4.640 -0.083 0.000 0.221 395 D C -0.413 175.932 176.300 0.074 0.000 1.097 395 D CA 0.478 54.524 54.000 0.077 0.000 0.865 395 D CB 0.709 41.535 40.800 0.044 0.000 1.034 395 D HN 0.417 nan 8.370 nan 0.000 0.511 396 I N 1.627 122.297 120.570 0.167 0.000 2.686 396 I HA 0.264 4.385 4.170 -0.083 0.000 0.295 396 I C -0.445 175.827 176.117 0.259 0.000 1.114 396 I CA -0.946 60.460 61.300 0.176 0.000 1.038 396 I CB 2.210 40.314 38.000 0.174 0.000 1.238 396 I HN 0.131 nan 8.210 nan 0.000 0.420 397 Q N 4.655 124.532 119.800 0.128 0.000 2.365 397 Q HA 0.900 5.190 4.340 -0.083 0.000 0.269 397 Q C -1.500 174.606 176.000 0.177 0.000 1.061 397 Q CA -1.080 54.797 55.803 0.124 0.000 0.816 397 Q CB 2.762 31.475 28.738 -0.040 0.000 1.325 397 Q HN 0.670 nan 8.270 nan 0.000 0.446 398 A N 3.123 126.085 122.820 0.238 0.000 2.303 398 A HA 0.658 4.929 4.320 -0.083 0.000 0.320 398 A C -1.022 176.681 177.584 0.198 0.000 1.192 398 A CA -0.742 51.442 52.037 0.246 0.000 0.821 398 A CB 0.502 19.706 19.000 0.340 0.000 1.188 398 A HN 0.680 nan 8.150 nan 0.000 0.492 399 I N 2.171 122.852 120.570 0.184 0.000 2.362 399 I HA 0.233 4.353 4.170 -0.083 0.000 0.289 399 I C -0.396 175.815 176.117 0.157 0.000 0.994 399 I CA -0.222 61.174 61.300 0.160 0.000 1.158 399 I CB 1.818 39.929 38.000 0.186 0.000 1.315 399 I HN 0.579 nan 8.210 nan 0.000 0.451 400 D N 6.325 126.797 120.400 0.121 0.000 2.325 400 D HA 0.188 4.778 4.640 -0.083 0.000 0.251 400 D C 0.569 176.939 176.300 0.116 0.000 1.196 400 D CA 0.192 54.267 54.000 0.126 0.000 0.866 400 D CB 1.105 41.961 40.800 0.093 0.000 1.101 400 D HN 0.470 nan 8.370 nan 0.000 0.476 401 L N 3.313 124.636 121.223 0.168 0.000 2.592 401 L HA 0.087 4.377 4.340 -0.083 0.000 0.227 401 L C 1.108 178.058 176.870 0.133 0.000 1.127 401 L CA -0.051 54.885 54.840 0.160 0.000 0.884 401 L CB -0.139 42.047 42.059 0.213 0.000 1.065 401 L HN 0.295 nan 8.230 nan 0.000 0.457 402 N N 1.633 120.401 118.700 0.114 0.000 3.210 402 N HA -0.014 4.676 4.740 -0.083 0.000 0.314 402 N C -0.125 175.417 175.510 0.054 0.000 1.291 402 N CA 0.172 53.269 53.050 0.078 0.000 1.202 402 N CB -0.190 38.336 38.487 0.064 0.000 1.475 402 N HN 0.216 nan 8.380 nan 0.000 0.554 403 T N -2.419 112.166 114.554 0.053 0.000 2.883 403 T HA 0.232 4.533 4.350 -0.083 0.000 0.301 403 T C 0.972 175.692 174.700 0.033 0.000 1.158 403 T CA -0.854 61.266 62.100 0.033 0.000 1.007 403 T CB 0.924 69.803 68.868 0.018 0.000 1.186 403 T HN -0.028 nan 8.240 nan 0.000 0.499 404 L N 2.764 124.001 121.223 0.022 0.000 2.013 404 L HA -0.020 4.271 4.340 -0.083 0.000 0.212 404 L C 2.608 179.493 176.870 0.024 0.000 1.073 404 L CA 2.993 57.846 54.840 0.022 0.000 0.753 404 L CB -0.822 41.245 42.059 0.014 0.000 0.890 404 L HN 0.944 nan 8.230 nan 0.000 0.432 405 S N -2.192 113.516 115.700 0.013 0.000 2.561 405 S HA -0.027 4.393 4.470 -0.083 0.000 0.225 405 S C 1.489 176.089 174.600 0.000 0.000 0.977 405 S CA 0.533 58.734 58.200 0.003 0.000 0.926 405 S CB -0.654 62.538 63.200 -0.013 0.000 0.769 405 S HN 0.627 nan 8.310 nan 0.000 0.533 406 S N -0.335 115.386 115.700 0.036 0.000 2.650 406 S HA 0.350 4.770 4.470 -0.083 0.000 0.240 406 S C 0.064 174.781 174.600 0.195 0.000 1.007 406 S CA -0.705 57.550 58.200 0.092 0.000 0.984 406 S CB 0.089 63.361 63.200 0.119 0.000 0.910 406 S HN 0.297 nan 8.310 nan 0.000 0.509 407 Q N 2.424 122.298 119.800 0.123 0.000 2.365 407 Q HA 0.546 4.836 4.340 -0.083 0.000 0.269 407 Q C -2.766 173.288 176.000 0.090 0.000 1.061 407 Q CA -2.034 53.827 55.803 0.097 0.000 0.816 407 Q CB 2.032 30.802 28.738 0.053 0.000 1.325 407 Q HN 0.241 nan 8.270 nan 0.000 0.446 408 P HA 0.203 nan 4.420 nan 0.000 0.275 408 P C -0.735 176.497 177.300 -0.113 0.000 1.266 408 P CA -0.395 62.649 63.100 -0.093 0.000 0.793 408 P CB 0.953 32.507 31.700 -0.242 0.000 1.074 409 V N 0.739 120.424 119.914 -0.382 0.000 2.540 409 V HA 0.307 4.377 4.120 -0.083 0.000 0.302 409 V C -0.042 175.637 176.094 -0.692 0.000 1.035 409 V CA -0.361 61.562 62.300 -0.628 0.000 0.873 409 V CB 0.928 32.366 31.823 -0.641 0.000 0.992 409 V HN 0.400 nan 8.190 nan 0.000 0.428 410 F N 2.883 122.689 119.950 -0.240 0.000 2.514 410 F HA 0.470 4.948 4.527 -0.083 0.000 0.281 410 F C 0.806 176.529 175.800 -0.127 0.000 1.060 410 F CA 0.042 57.986 58.000 -0.094 0.000 1.397 410 F CB 0.523 39.516 39.000 -0.012 0.000 1.129 410 F HN 0.530 nan 8.300 nan 0.000 0.620 411 D N -0.013 120.370 120.400 -0.027 0.000 2.476 411 D HA 0.279 4.870 4.640 -0.083 0.000 0.251 411 D C -2.316 173.840 176.300 -0.240 0.000 1.291 411 D CA -2.466 51.479 54.000 -0.092 0.000 0.939 411 D CB 1.827 42.646 40.800 0.032 0.000 1.221 411 D HN -0.187 nan 8.370 nan 0.000 0.567 412 P HA -0.116 nan 4.420 nan 0.000 0.218 412 P C 1.571 178.740 177.300 -0.218 0.000 1.148 412 P CA 0.434 63.209 63.100 -0.541 0.000 0.822 412 P CB 0.476 31.534 31.700 -1.069 0.000 0.784 413 V N 0.592 120.411 119.914 -0.157 0.000 2.287 413 V HA -0.258 3.812 4.120 -0.083 0.000 0.248 413 V C 2.502 178.593 176.094 -0.005 0.000 1.053 413 V CA 2.640 64.902 62.300 -0.063 0.000 1.027 413 V CB -1.645 30.154 31.823 -0.039 0.000 0.646 413 V HN 0.287 nan 8.190 nan 0.000 0.447 414 S N -1.986 113.749 115.700 0.058 0.000 2.436 414 S HA -0.078 4.342 4.470 -0.083 0.000 0.228 414 S C 1.106 175.815 174.600 0.181 0.000 1.014 414 S CA 0.191 58.469 58.200 0.131 0.000 0.950 414 S CB -0.424 62.960 63.200 0.307 0.000 0.784 414 S HN 0.639 nan 8.310 nan 0.000 0.504 418 Y N 1.047 121.388 120.300 0.068 0.000 2.458 418 Y HA 0.388 4.887 4.550 -0.084 0.000 0.254 418 Y C 1.207 177.083 175.900 -0.039 0.000 1.120 418 Y CA 0.014 58.124 58.100 0.016 0.000 1.282 418 Y CB 0.594 39.062 38.460 0.013 0.000 1.109 418 Y HN 0.562 nan 8.280 nan 0.000 0.526 419 C N -2.050 117.265 119.300 0.025 0.000 3.090 419 C HA 0.587 4.998 4.460 -0.083 0.000 0.227 419 C C -0.310 174.635 174.990 -0.075 0.000 1.753 419 C CA -0.683 58.292 59.018 -0.072 0.000 1.152 419 C CB -1.111 26.504 27.740 -0.209 0.000 2.036 419 C HN 0.101 nan 8.230 nan 0.000 0.610 420 T N 1.930 116.482 114.554 -0.003 0.000 2.848 420 T HA 0.473 4.773 4.350 -0.083 0.000 0.285 420 T C -0.504 174.110 174.700 -0.144 0.000 0.995 420 T CA -0.314 61.759 62.100 -0.046 0.000 0.970 420 T CB 1.663 70.567 68.868 0.059 0.000 0.976 420 T HN 0.473 nan 8.240 nan 0.000 0.441 421 K N 1.342 121.611 120.400 -0.218 0.000 2.143 421 K HA 0.343 4.613 4.320 -0.083 0.000 0.272 421 K C 1.375 177.679 176.600 -0.493 0.000 1.001 421 K CA -0.567 55.572 56.287 -0.248 0.000 0.915 421 K CB 1.139 33.555 32.500 -0.140 0.000 1.047 421 K HN 0.668 nan 8.250 nan 0.000 0.458 422 S N 0.113 115.558 115.700 -0.425 0.000 2.469 422 S HA -0.149 4.271 4.470 -0.083 0.000 0.238 422 S C 1.581 176.043 174.600 -0.230 0.000 0.998 422 S CA 1.606 59.545 58.200 -0.434 0.000 0.957 422 S CB -0.664 62.555 63.200 0.032 0.000 0.764 422 S HN 0.761 nan 8.310 nan 0.000 0.514 423 T N -0.622 113.829 114.554 -0.171 0.000 3.118 423 T HA 0.106 4.406 4.350 -0.083 0.000 0.260 423 T C 1.514 176.152 174.700 -0.104 0.000 1.139 423 T CA 0.428 62.467 62.100 -0.101 0.000 1.085 423 T CB -0.424 68.399 68.868 -0.075 0.000 0.934 423 T HN 0.533 nan 8.240 nan 0.000 0.518 424 Q N 0.792 120.496 119.800 -0.160 0.000 2.435 424 Q HA 0.145 4.435 4.340 -0.083 0.000 0.207 424 Q C 0.182 176.152 176.000 -0.051 0.000 0.956 424 Q CA 0.017 55.758 55.803 -0.103 0.000 0.917 424 Q CB 0.010 28.675 28.738 -0.121 0.000 0.997 424 Q HN 0.409 nan 8.270 nan 0.000 0.497 425 V N 2.183 122.065 119.914 -0.053 0.000 2.450 425 V HA -0.084 3.986 4.120 -0.083 0.000 0.281 425 V C 1.262 177.356 176.094 -0.001 0.000 1.019 425 V CA 0.802 63.126 62.300 0.040 0.000 1.062 425 V CB 1.005 32.895 31.823 0.111 0.000 0.979 425 V HN 0.342 nan 8.190 nan 0.000 0.477 426 S N 3.458 119.177 115.700 0.033 0.000 2.468 426 S HA 0.140 4.560 4.470 -0.083 0.000 0.226 426 S C 0.469 174.890 174.600 -0.297 0.000 1.051 426 S CA 0.056 58.225 58.200 -0.052 0.000 0.943 426 S CB 0.109 63.393 63.200 0.141 0.000 0.810 426 S HN 0.785 nan 8.310 nan 0.000 0.509 427 H N -0.734 118.257 119.070 -0.131 0.000 2.895 427 H HA 0.806 5.312 4.556 -0.083 0.000 0.373 427 H C -1.488 173.581 175.328 -0.431 0.000 1.174 427 H CA -0.649 55.158 56.048 -0.402 0.000 1.144 427 H CB 2.169 31.564 29.762 -0.611 0.000 1.793 427 H HN 0.090 nan 8.280 nan 0.000 0.551 428 V N 2.236 121.838 119.914 -0.520 0.000 2.733 428 V HA 0.270 4.341 4.120 -0.083 0.000 0.306 428 V C -1.153 174.682 176.094 -0.432 0.000 1.084 428 V CA -0.788 61.340 62.300 -0.285 0.000 0.905 428 V CB 1.853 33.610 31.823 -0.110 0.000 1.010 428 V HN 0.654 nan 8.190 nan 0.000 0.424 429 W N 3.062 124.387 121.300 0.042 0.000 2.736 429 W HA 0.789 5.399 4.660 -0.083 0.000 0.335 429 W C -1.135 175.395 176.519 0.017 0.000 1.059 429 W CA -0.733 56.630 57.345 0.029 0.000 1.226 429 W CB 2.252 31.723 29.460 0.019 0.000 1.416 429 W HN 0.283 nan 8.180 nan 0.000 0.505 430 V N 3.253 123.301 119.914 0.223 0.000 2.577 430 V HA 0.148 4.218 4.120 -0.083 0.000 0.303 430 V C 0.243 176.410 176.094 0.121 0.000 1.042 430 V CA -0.904 61.480 62.300 0.140 0.000 0.872 430 V CB 1.511 33.389 31.823 0.092 0.000 0.998 430 V HN 0.694 nan 8.190 nan 0.000 0.423 431 N N 3.608 122.361 118.700 0.088 0.000 2.708 431 N HA -0.217 4.473 4.740 -0.083 0.000 0.249 431 N C 1.223 176.778 175.510 0.076 0.000 1.097 431 N CA 1.842 54.929 53.050 0.061 0.000 0.710 431 N CB -0.942 37.574 38.487 0.048 0.000 1.032 431 N HN 1.593 nan 8.380 nan 0.000 0.551 432 G N -1.240 107.626 108.800 0.111 0.000 2.189 432 G HA2 -0.368 3.542 3.960 -0.083 0.000 0.267 432 G HA3 -0.368 3.542 3.960 -0.083 0.000 0.267 432 G C 0.060 175.108 174.900 0.248 0.000 0.975 432 G CA 0.658 45.822 45.100 0.107 0.000 0.644 432 G HN 0.549 nan 8.290 nan 0.000 0.537 433 R N -0.441 120.207 120.500 0.248 0.000 2.265 433 R HA 0.460 4.751 4.340 -0.083 0.000 0.319 433 R C 0.091 176.515 176.300 0.207 0.000 1.006 433 R CA -0.367 55.864 56.100 0.218 0.000 0.880 433 R CB 1.490 31.859 30.300 0.116 0.000 1.077 433 R HN 0.254 nan 8.270 nan 0.000 0.454 434 C N 5.824 125.206 119.300 0.138 0.000 2.619 434 C HA 0.172 4.582 4.460 -0.083 0.000 0.389 434 C C 1.685 176.584 174.990 -0.151 0.000 1.314 434 C CA -0.312 58.586 59.018 -0.200 0.000 1.678 434 C CB -1.226 26.411 27.740 -0.172 0.000 2.398 434 C HN 0.827 nan 8.230 nan 0.000 0.582 435 L N 4.714 125.825 121.223 -0.187 0.000 2.554 435 L HA 0.306 4.597 4.340 -0.083 0.000 0.225 435 L C 0.111 176.890 176.870 -0.151 0.000 1.104 435 L CA 0.273 55.045 54.840 -0.114 0.000 0.866 435 L CB -0.276 41.746 42.059 -0.062 0.000 1.047 435 L HN 0.520 nan 8.230 nan 0.000 0.468 436 L N 0.451 121.525 121.223 -0.249 0.000 2.516 436 L HA 0.398 4.688 4.340 -0.083 0.000 0.267 436 L C -0.875 175.773 176.870 -0.370 0.000 0.957 436 L CA -0.219 54.470 54.840 -0.251 0.000 0.860 436 L CB 1.732 43.664 42.059 -0.211 0.000 1.265 436 L HN -0.123 nan 8.230 nan 0.000 0.403 437 K N 4.025 124.229 120.400 -0.325 0.000 2.502 437 K HA 0.490 4.760 4.320 -0.083 0.000 0.254 437 K C -0.212 176.135 176.600 -0.422 0.000 0.947 437 K CA -0.405 55.653 56.287 -0.382 0.000 0.834 437 K CB 0.795 33.200 32.500 -0.159 0.000 1.112 437 K HN 0.723 nan 8.250 nan 0.000 0.427 438 N N 3.208 121.455 118.700 -0.755 0.000 2.714 438 N HA -0.257 4.433 4.740 -0.083 0.000 0.252 438 N C 0.462 175.815 175.510 -0.263 0.000 1.014 438 N CA 0.820 53.618 53.050 -0.420 0.000 0.735 438 N CB -0.814 37.568 38.487 -0.174 0.000 0.924 438 N HN 1.060 nan 8.380 nan 0.000 0.540 439 G N -1.593 107.036 108.800 -0.285 0.000 2.184 439 G HA2 -0.333 3.577 3.960 -0.083 0.000 0.264 439 G HA3 -0.333 3.577 3.960 -0.083 0.000 0.264 439 G C -0.258 174.559 174.900 -0.138 0.000 0.975 439 G CA 0.546 45.546 45.100 -0.168 0.000 0.642 439 G HN 0.439 nan 8.290 nan 0.000 0.536 440 E N 0.225 120.333 120.200 -0.155 0.000 2.166 440 E HA 0.550 4.850 4.350 -0.083 0.000 0.275 440 E C 0.716 177.247 176.600 -0.116 0.000 0.941 440 E CA -0.738 55.593 56.400 -0.114 0.000 0.784 440 E CB 1.483 31.126 29.700 -0.095 0.000 1.115 440 E HN 0.359 nan 8.360 nan 0.000 0.399 441 L N 1.814 122.984 121.223 -0.089 0.000 2.456 441 L HA 0.042 4.332 4.340 -0.083 0.000 0.272 441 L C 1.673 178.502 176.870 -0.070 0.000 1.189 441 L CA 0.312 55.105 54.840 -0.080 0.000 0.846 441 L CB 0.234 42.255 42.059 -0.063 0.000 1.111 441 L HN 0.673 nan 8.230 nan 0.000 0.475 442 T N -4.629 109.885 114.554 -0.067 0.000 3.001 442 T HA -0.002 4.299 4.350 -0.083 0.000 0.251 442 T C 1.099 175.782 174.700 -0.028 0.000 1.040 442 T CA 0.478 62.549 62.100 -0.049 0.000 0.985 442 T CB 0.107 68.943 68.868 -0.053 0.000 1.011 442 T HN 0.723 nan 8.240 nan 0.000 0.509 443 T N -0.377 114.161 114.554 -0.026 0.000 3.043 443 T HA 0.555 4.855 4.350 -0.083 0.000 0.272 443 T C 0.061 174.756 174.700 -0.009 0.000 0.990 443 T CA -0.508 61.587 62.100 -0.009 0.000 0.897 443 T CB -0.046 68.822 68.868 0.000 0.000 1.111 443 T HN 0.310 nan 8.240 nan 0.000 0.529 444 L N 1.373 122.583 121.223 -0.022 0.000 2.393 444 L HA 0.613 4.903 4.340 -0.083 0.000 0.260 444 L C -1.146 175.701 176.870 -0.037 0.000 1.002 444 L CA -1.186 53.639 54.840 -0.026 0.000 0.818 444 L CB 2.310 44.349 42.059 -0.034 0.000 1.369 444 L HN -0.024 nan 8.230 nan 0.000 0.412 445 N N 1.152 119.826 118.700 -0.043 0.000 2.469 445 N HA 0.105 4.795 4.740 -0.083 0.000 0.253 445 N C 0.489 175.954 175.510 -0.074 0.000 0.970 445 N CA -0.104 52.913 53.050 -0.054 0.000 0.940 445 N CB 1.514 39.970 38.487 -0.051 0.000 1.128 445 N HN 0.714 nan 8.380 nan 0.000 0.503 446 E N 2.521 122.681 120.200 -0.067 0.000 2.058 446 E HA -0.233 4.068 4.350 -0.083 0.000 0.194 446 E C 0.404 176.955 176.600 -0.082 0.000 0.997 446 E CA 1.488 57.846 56.400 -0.070 0.000 0.801 446 E CB 0.293 29.958 29.700 -0.058 0.000 0.746 446 E HN 0.565 nan 8.360 nan 0.000 0.450 447 E N -0.268 119.885 120.200 -0.078 0.000 2.077 447 E HA -0.129 4.171 4.350 -0.083 0.000 0.193 447 E C 2.061 178.585 176.600 -0.126 0.000 0.989 447 E CA 1.742 58.093 56.400 -0.080 0.000 0.800 447 E CB -0.340 29.323 29.700 -0.061 0.000 0.746 447 E HN 0.243 nan 8.360 nan 0.000 0.452 448 T N 0.862 115.316 114.554 -0.166 0.000 2.708 448 T HA -0.087 4.213 4.350 -0.083 0.000 0.266 448 T C 1.869 176.270 174.700 -0.499 0.000 1.037 448 T CA 0.911 62.819 62.100 -0.320 0.000 1.146 448 T CB -0.252 68.455 68.868 -0.269 0.000 0.865 448 T HN 0.081 nan 8.240 nan 0.000 0.435 449 L N 0.237 121.288 121.223 -0.287 0.000 2.046 449 L HA -0.063 4.227 4.340 -0.083 0.000 0.208 449 L C 2.495 179.293 176.870 -0.119 0.000 1.077 449 L CA 1.306 56.033 54.840 -0.189 0.000 0.747 449 L CB -0.649 41.347 42.059 -0.105 0.000 0.896 449 L HN 0.273 nan 8.230 nan 0.000 0.432 450 I N -0.067 120.440 120.570 -0.105 0.000 2.226 450 I HA -0.275 3.845 4.170 -0.083 0.000 0.245 450 I C 2.230 178.330 176.117 -0.029 0.000 1.100 450 I CA 1.046 62.314 61.300 -0.053 0.000 1.374 450 I CB -0.392 37.580 38.000 -0.048 0.000 1.057 450 I HN 0.323 nan 8.210 nan 0.000 0.413 451 N N 0.429 119.090 118.700 -0.066 0.000 2.104 451 N HA -0.211 4.479 4.740 -0.083 0.000 0.190 451 N C 1.740 177.316 175.510 0.110 0.000 1.024 451 N CA 1.559 54.605 53.050 -0.006 0.000 0.853 451 N CB -0.634 37.834 38.487 -0.032 0.000 1.008 451 N HN 0.539 nan 8.380 nan 0.000 0.424 452 H N -0.224 118.861 119.070 0.026 0.000 2.389 452 H HA 0.079 4.585 4.556 -0.083 0.000 0.299 452 H C 1.925 177.332 175.328 0.133 0.000 1.081 452 H CA 0.780 56.867 56.048 0.064 0.000 1.345 452 H CB 0.127 29.935 29.762 0.076 0.000 1.393 452 H HN 0.249 nan 8.280 nan 0.000 0.520 453 A N 1.605 124.541 122.820 0.192 0.000 1.902 453 A HA -0.194 4.077 4.320 -0.083 0.000 0.217 453 A C 2.124 179.790 177.584 0.136 0.000 1.181 453 A CA 1.584 53.699 52.037 0.129 0.000 0.623 453 A CB -0.256 18.764 19.000 0.033 0.000 0.818 453 A HN 0.306 nan 8.150 nan 0.000 0.443 454 K N -0.305 120.152 120.400 0.095 0.000 2.097 454 K HA 0.015 4.285 4.320 -0.083 0.000 0.205 454 K C 2.284 178.927 176.600 0.071 0.000 1.050 454 K CA 0.970 57.300 56.287 0.072 0.000 0.938 454 K CB -0.300 32.227 32.500 0.044 0.000 0.718 454 K HN 0.438 nan 8.250 nan 0.000 0.442 455 A N 0.638 123.495 122.820 0.061 0.000 1.877 455 A HA -0.173 4.097 4.320 -0.083 0.000 0.216 455 A C 1.831 179.383 177.584 -0.052 0.000 1.186 455 A CA 1.237 53.257 52.037 -0.028 0.000 0.620 455 A CB -0.898 18.043 19.000 -0.098 0.000 0.822 455 A HN 0.445 nan 8.150 nan 0.000 0.443 456 W N -0.390 120.907 121.300 -0.005 0.000 2.381 456 W HA -0.016 4.595 4.660 -0.082 0.000 0.301 456 W C 2.788 179.303 176.519 -0.006 0.000 1.205 456 W CA 1.312 58.645 57.345 -0.021 0.000 1.285 456 W CB -0.114 29.285 29.460 -0.102 0.000 1.133 456 W HN 0.400 nan 8.180 nan 0.000 0.521 457 A N -0.646 122.312 122.820 0.230 0.000 1.908 457 A HA -0.273 3.997 4.320 -0.083 0.000 0.218 457 A C 1.985 179.640 177.584 0.118 0.000 1.181 457 A CA 2.272 54.404 52.037 0.159 0.000 0.627 457 A CB -1.349 17.720 19.000 0.115 0.000 0.818 457 A HN 0.197 nan 8.150 nan 0.000 0.445 458 S N -0.663 115.087 115.700 0.083 0.000 2.368 458 S HA -0.048 4.373 4.470 -0.083 0.000 0.225 458 S C 2.184 176.819 174.600 0.059 0.000 1.030 458 S CA 1.586 59.819 58.200 0.055 0.000 0.999 458 S CB -0.469 62.746 63.200 0.025 0.000 0.844 458 S HN 0.825 nan 8.310 nan 0.000 0.459 459 A N 1.068 123.917 122.820 0.048 0.000 1.898 459 A HA 0.038 4.309 4.320 -0.083 0.000 0.216 459 A C 2.091 179.746 177.584 0.118 0.000 1.181 459 A CA 1.384 53.463 52.037 0.070 0.000 0.620 459 A CB -0.655 18.343 19.000 -0.003 0.000 0.819 459 A HN 0.620 nan 8.150 nan 0.000 0.442 460 I N -1.491 119.110 120.570 0.052 0.000 2.286 460 I HA -0.182 3.939 4.170 -0.083 0.000 0.245 460 I C 2.781 178.976 176.117 0.131 0.000 1.104 460 I CA 1.073 62.362 61.300 -0.019 0.000 1.397 460 I CB -0.304 37.734 38.000 0.064 0.000 1.072 460 I HN 0.278 nan 8.210 nan 0.000 0.417 461 R N 0.357 120.927 120.500 0.116 0.000 2.066 461 R HA -0.074 4.216 4.340 -0.083 0.000 0.232 461 R C 0.190 176.551 176.300 0.102 0.000 1.131 461 R CA 1.693 57.857 56.100 0.106 0.000 0.955 461 R CB 0.013 30.364 30.300 0.086 0.000 0.851 461 R HN 0.372 nan 8.270 nan 0.000 0.432 462 T N -0.390 114.223 114.554 0.098 0.000 3.135 462 T HA 0.376 4.676 4.350 -0.083 0.000 0.357 462 T C -2.598 172.157 174.700 0.093 0.000 1.112 462 T CA -1.716 60.435 62.100 0.085 0.000 1.290 462 T CB 1.875 70.778 68.868 0.060 0.000 1.018 462 T HN -0.069 nan 8.240 nan 0.000 0.527 463 P HA 0.000 nan 4.420 nan 0.000 0.216 463 P CA 0.000 63.181 63.100 0.135 0.000 0.800 463 P CB 0.000 31.797 31.700 0.161 0.000 0.726