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 1zvr_1_A DATA FIRST_RESID 73 DATA SEQUENCE MEEPPLLPGE NIKDMAKDVT YICPFTGAVR GTLTVTNYRL YFKSMERDPP DATA SEQUENCE FVLDASLGVI NRVEKIGGAS SRGENSYGLE TVCKDIRNLR FAHKPEGRTR DATA SEQUENCE RSIFENLMKY AFPVSNNLPL FAFEYKEVFP ENGWKLYDPL LEYRRQGIPN DATA SEQUENCE ESWRITKINE RYELCDTYPA LLVVPANIPD EELKRVASFR SRGRIPVLSW DATA SEQUENCE IHPESQATIT RCSQPMVGVS GKRSKEDEKY LQAIMDSNAQ SHKIFIFDAR DATA SEQUENCE PSVNAVANKA KGGGYESEDA YQNAELVFLD IHNIHVMRES LRKLKEIVYP DATA SEQUENCE NIEETHWLSN LESTHWLEHI KLILAGALRI ADKVESGKTS VVVHSSDGWD DATA SEQUENCE RTAQLTSLAM LMLDGYYRTI RGFEVLVEKE WLSFGHRFQL RVGHGDKNHA DATA SEQUENCE DADRSPVFLQ FIDCVWQMTR QFPTAFEFNE YFLITILDHL YSCLFGTFLC DATA SEQUENCE NSEQQRGKEN LPKRTVSLWS YINSQLEDFT NPLYGSYSNH VLYPVASMRH DATA SEQUENCE LELWVGYYIR WNPR 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 73 M HA 0.000 nan 4.480 nan 0.000 0.227 73 M C 0.000 176.308 176.300 0.013 0.000 1.140 73 M CA 0.000 55.301 55.300 0.001 0.000 0.988 73 M CB 0.000 32.597 32.600 -0.005 0.000 1.302 74 E N 1.042 121.249 120.200 0.013 0.000 2.548 74 E HA 0.232 4.582 4.350 0.000 0.000 0.206 74 E C -0.847 175.804 176.600 0.084 0.000 1.005 74 E CA -0.209 56.218 56.400 0.045 0.000 0.951 74 E CB 0.370 30.060 29.700 -0.018 0.000 1.035 74 E HN 0.730 nan 8.360 nan 0.000 0.470 75 E N 3.782 123.983 120.200 0.002 0.000 2.414 75 E HA 0.101 4.451 4.350 0.000 0.000 0.263 75 E C -2.007 174.436 176.600 -0.262 0.000 1.000 75 E CA -1.354 55.000 56.400 -0.077 0.000 0.914 75 E CB 0.779 30.433 29.700 -0.077 0.000 0.948 75 E HN 0.247 nan 8.360 nan 0.000 0.444 76 P HA 0.236 nan 4.420 nan 0.000 0.277 76 P C -2.642 174.362 177.300 -0.494 0.000 1.240 76 P CA -1.538 60.986 63.100 -0.959 0.000 0.798 76 P CB 0.228 31.316 31.700 -1.019 0.000 0.979 77 P HA 0.287 nan 4.420 nan 0.000 0.272 77 P C -0.655 176.549 177.300 -0.159 0.000 1.230 77 P CA 0.065 63.035 63.100 -0.217 0.000 0.788 77 P CB 0.441 32.063 31.700 -0.129 0.000 0.949 78 L N 1.975 123.148 121.223 -0.083 0.000 2.356 78 L HA 0.414 4.754 4.340 0.000 0.000 0.277 78 L C -0.053 176.827 176.870 0.016 0.000 0.996 78 L CA -0.811 54.006 54.840 -0.038 0.000 0.822 78 L CB 1.213 43.250 42.059 -0.037 0.000 1.256 78 L HN 0.208 nan 8.230 nan 0.000 0.413 79 L N 4.685 125.946 121.223 0.064 0.000 2.418 79 L HA 0.341 4.682 4.340 0.000 0.000 0.265 79 L C -1.840 175.113 176.870 0.138 0.000 1.143 79 L CA -1.776 53.141 54.840 0.128 0.000 0.809 79 L CB 0.800 42.969 42.059 0.183 0.000 1.124 79 L HN 0.342 nan 8.230 nan 0.000 0.456 80 P HA 0.011 nan 4.420 nan 0.000 0.260 80 P C 0.600 177.910 177.300 0.016 0.000 1.207 80 P CA 0.747 63.849 63.100 0.003 0.000 0.780 80 P CB 0.725 32.368 31.700 -0.095 0.000 0.789 81 G N 2.296 111.119 108.800 0.039 0.000 2.253 81 G HA2 -0.186 3.774 3.960 0.000 0.000 0.209 81 G HA3 -0.186 3.774 3.960 0.000 0.000 0.209 81 G C 0.020 175.042 174.900 0.203 0.000 0.997 81 G CA -0.171 44.947 45.100 0.030 0.000 0.640 81 G HN 0.637 nan 8.290 nan 0.000 0.496 82 E N 1.398 121.784 120.200 0.310 0.000 2.266 82 E HA 0.552 4.902 4.350 0.000 0.000 0.277 82 E C -0.076 176.589 176.600 0.107 0.000 1.018 82 E CA -0.458 56.140 56.400 0.330 0.000 0.840 82 E CB 0.465 30.295 29.700 0.217 0.000 1.082 82 E HN 0.575 nan 8.360 nan 0.000 0.395 83 N N 3.696 122.418 118.700 0.037 0.000 2.710 83 N HA 0.223 4.964 4.740 0.000 0.000 0.257 83 N C -0.630 174.816 175.510 -0.105 0.000 1.327 83 N CA -0.725 52.306 53.050 -0.031 0.000 0.861 83 N CB 0.634 39.114 38.487 -0.012 0.000 1.532 83 N HN 0.356 nan 8.380 nan 0.000 0.499 84 I N 1.231 121.739 120.570 -0.103 0.000 2.618 84 I HA -0.026 4.145 4.170 0.000 0.000 0.284 84 I C 1.136 177.156 176.117 -0.161 0.000 1.146 84 I CA 0.037 61.259 61.300 -0.130 0.000 1.425 84 I CB 0.414 38.361 38.000 -0.088 0.000 1.383 84 I HN 0.431 nan 8.210 nan 0.000 0.562 85 K N 3.017 123.278 120.400 -0.232 0.000 2.391 85 K HA 0.256 4.576 4.320 0.000 0.000 0.197 85 K C -0.364 176.170 176.600 -0.109 0.000 1.087 85 K CA 0.256 56.389 56.287 -0.256 0.000 1.012 85 K CB 0.353 32.456 32.500 -0.662 0.000 0.925 85 K HN 0.628 nan 8.250 nan 0.000 0.547 86 D N -0.718 119.627 120.400 -0.091 0.000 2.720 86 D HA 0.265 4.905 4.640 0.000 0.000 0.239 86 D C -1.647 174.636 176.300 -0.028 0.000 1.218 86 D CA -0.400 53.580 54.000 -0.033 0.000 0.748 86 D CB 1.263 42.060 40.800 -0.004 0.000 1.387 86 D HN -0.212 nan 8.370 nan 0.000 0.438 87 M N 1.982 121.580 119.600 -0.002 0.000 2.531 87 M HA 0.808 5.288 4.480 0.000 0.000 0.286 87 M C -2.084 174.236 176.300 0.033 0.000 1.232 87 M CA -0.517 54.787 55.300 0.007 0.000 0.877 87 M CB 1.877 34.477 32.600 0.001 0.000 1.726 87 M HN 0.596 nan 8.290 nan 0.000 0.463 88 A N 4.535 127.382 122.820 0.045 0.000 2.402 88 A HA 0.690 5.010 4.320 0.000 0.000 0.291 88 A C -0.990 176.636 177.584 0.069 0.000 1.051 88 A CA -0.776 51.307 52.037 0.076 0.000 0.716 88 A CB 1.210 20.287 19.000 0.128 0.000 1.223 88 A HN 0.719 nan 8.150 nan 0.000 0.425 89 K N 1.465 121.904 120.400 0.064 0.000 2.154 89 K HA 0.258 4.578 4.320 0.000 0.000 0.264 89 K C -0.484 176.157 176.600 0.069 0.000 1.008 89 K CA -0.225 56.094 56.287 0.054 0.000 0.937 89 K CB 0.432 32.957 32.500 0.042 0.000 1.002 89 K HN 0.725 nan 8.250 nan 0.000 0.469 90 D N 0.112 120.552 120.400 0.066 0.000 2.686 90 D HA -0.154 4.486 4.640 0.000 0.000 0.235 90 D C -0.548 175.797 176.300 0.076 0.000 1.160 90 D CA 0.647 54.691 54.000 0.074 0.000 0.645 90 D CB -1.108 39.727 40.800 0.059 0.000 1.039 90 D HN 0.094 nan 8.370 nan 0.000 0.423 91 V N 0.239 120.215 119.914 0.104 0.000 2.617 91 V HA 0.424 4.544 4.120 0.000 0.000 0.298 91 V C 0.919 177.113 176.094 0.166 0.000 1.048 91 V CA -0.284 62.018 62.300 0.004 0.000 0.964 91 V CB 2.238 33.998 31.823 -0.105 0.000 1.004 91 V HN 0.096 nan 8.190 nan 0.000 0.466 92 T N 3.711 118.288 114.554 0.039 0.000 2.772 92 T HA 0.376 4.726 4.350 0.000 0.000 0.288 92 T C -0.888 173.756 174.700 -0.094 0.000 0.994 92 T CA -0.131 61.992 62.100 0.037 0.000 0.951 92 T CB 0.431 69.292 68.868 -0.011 0.000 0.933 92 T HN 0.516 nan 8.240 nan 0.000 0.447 93 Y N 4.211 124.252 120.300 -0.432 0.000 2.313 93 Y HA 0.516 5.067 4.550 0.000 0.000 0.332 93 Y C -0.367 175.245 175.900 -0.479 0.000 1.071 93 Y CA -1.499 56.164 58.100 -0.728 0.000 1.169 93 Y CB 0.399 38.175 38.460 -1.140 0.000 1.192 93 Y HN 0.580 nan 8.280 nan 0.000 0.487 94 I N 7.620 127.505 120.570 -1.142 0.000 2.313 94 I HA 0.116 4.286 4.170 0.000 0.000 0.286 94 I C -0.293 175.138 176.117 -1.143 0.000 1.091 94 I CA -0.420 60.355 61.300 -0.875 0.000 1.216 94 I CB 0.107 37.774 38.000 -0.555 0.000 1.434 94 I HN 0.606 nan 8.210 nan 0.000 0.487 95 C N 8.709 127.453 119.300 -0.927 0.000 2.624 95 C HA 0.175 4.635 4.460 0.000 0.000 0.397 95 C C -0.665 174.057 174.990 -0.446 0.000 1.331 95 C CA -1.136 57.559 59.018 -0.537 0.000 1.716 95 C CB 0.117 27.806 27.740 -0.086 0.000 2.452 95 C HN 0.582 nan 8.230 nan 0.000 0.586 96 P HA -0.045 nan 4.420 nan 0.000 0.222 96 P C 0.626 177.514 177.300 -0.686 0.000 1.147 96 P CA 1.621 64.281 63.100 -0.733 0.000 0.790 96 P CB 0.008 31.065 31.700 -1.072 0.000 0.780 97 F N -1.494 118.377 119.950 -0.131 0.000 2.500 97 F HA 0.083 4.610 4.527 0.000 0.000 0.285 97 F C 1.733 177.494 175.800 -0.064 0.000 1.088 97 F CA 0.967 58.918 58.000 -0.082 0.000 1.432 97 F CB -0.850 38.130 39.000 -0.033 0.000 1.131 97 F HN -0.163 nan 8.300 nan 0.000 0.582 98 T N -1.679 112.932 114.554 0.095 0.000 3.248 98 T HA 0.596 4.946 4.350 0.000 0.000 0.271 98 T C 0.858 175.509 174.700 -0.082 0.000 1.005 98 T CA 0.025 62.139 62.100 0.024 0.000 0.902 98 T CB -0.323 68.582 68.868 0.062 0.000 1.102 98 T HN 0.464 nan 8.240 nan 0.000 0.548 99 G N 1.590 110.310 108.800 -0.132 0.000 2.641 99 G HA2 0.152 4.112 3.960 0.000 0.000 0.254 99 G HA3 0.152 4.112 3.960 0.000 0.000 0.254 99 G C 0.129 174.888 174.900 -0.234 0.000 1.315 99 G CA -0.382 44.616 45.100 -0.171 0.000 0.907 99 G HN 1.304 nan 8.290 nan 0.000 0.572 100 A N -1.569 121.125 122.820 -0.209 0.000 2.264 100 A HA 0.891 5.212 4.320 0.000 0.000 0.304 100 A C 0.173 177.648 177.584 -0.183 0.000 1.100 100 A CA 0.397 52.297 52.037 -0.228 0.000 0.839 100 A CB 1.762 20.654 19.000 -0.178 0.000 1.121 100 A HN 2.363 nan 8.150 nan 0.000 0.496 101 V N 1.261 121.086 119.914 -0.148 0.000 2.789 101 V HA 0.503 4.624 4.120 0.000 0.000 0.300 101 V C -0.662 175.521 176.094 0.148 0.000 1.184 101 V CA -0.662 61.601 62.300 -0.061 0.000 0.930 101 V CB 1.684 33.368 31.823 -0.231 0.000 1.041 101 V HN 1.042 nan 8.190 nan 0.000 0.430 102 R N 4.093 124.674 120.500 0.136 0.000 2.254 102 R HA 0.758 5.098 4.340 0.000 0.000 0.318 102 R C 0.191 176.609 176.300 0.196 0.000 1.031 102 R CA 0.640 56.861 56.100 0.201 0.000 0.905 102 R CB 1.439 31.796 30.300 0.095 0.000 1.050 102 R HN 1.068 nan 8.270 nan 0.000 0.456 103 G N 0.997 109.952 108.800 0.258 0.000 2.753 103 G HA2 0.227 4.187 3.960 0.000 0.000 0.303 103 G HA3 0.227 4.187 3.960 0.000 0.000 0.303 103 G C -1.411 173.433 174.900 -0.093 0.000 1.242 103 G CA -0.413 44.611 45.100 -0.126 0.000 0.810 103 G HN 0.437 nan 8.290 nan 0.000 0.515 104 T N 0.969 115.339 114.554 -0.307 0.000 2.771 104 T HA 0.513 4.864 4.350 0.000 0.000 0.281 104 T C -0.842 173.820 174.700 -0.063 0.000 0.982 104 T CA -0.184 61.853 62.100 -0.105 0.000 0.978 104 T CB 1.505 70.332 68.868 -0.068 0.000 0.930 104 T HN 0.469 nan 8.240 nan 0.000 0.447 105 L N 4.064 125.352 121.223 0.109 0.000 2.275 105 L HA 0.627 4.967 4.340 0.000 0.000 0.288 105 L C -0.238 176.647 176.870 0.025 0.000 1.046 105 L CA 0.311 55.215 54.840 0.105 0.000 0.805 105 L CB 0.994 43.036 42.059 -0.028 0.000 1.193 105 L HN 0.612 nan 8.230 nan 0.000 0.426 106 T N 4.146 118.719 114.554 0.031 0.000 2.876 106 T HA 0.690 5.040 4.350 0.000 0.000 0.289 106 T C -1.025 173.654 174.700 -0.035 0.000 1.014 106 T CA -0.473 61.633 62.100 0.009 0.000 0.986 106 T CB 1.848 70.741 68.868 0.040 0.000 1.021 106 T HN 0.325 nan 8.240 nan 0.000 0.458 107 V N 3.207 123.074 119.914 -0.079 0.000 2.487 107 V HA 0.674 4.794 4.120 0.000 0.000 0.298 107 V C 0.544 176.522 176.094 -0.192 0.000 1.028 107 V CA -0.764 61.460 62.300 -0.127 0.000 0.860 107 V CB 1.686 33.441 31.823 -0.113 0.000 0.991 107 V HN 1.155 nan 8.190 nan 0.000 0.427 108 T N 0.229 114.649 114.554 -0.222 0.000 2.768 108 T HA 0.313 4.663 4.350 0.000 0.000 0.268 108 T C 0.995 175.479 174.700 -0.359 0.000 0.969 108 T CA -0.251 61.686 62.100 -0.272 0.000 1.008 108 T CB 1.101 69.853 68.868 -0.193 0.000 1.371 108 T HN 0.548 nan 8.240 nan 0.000 0.587 109 N N -0.714 117.814 118.700 -0.286 0.000 2.457 109 N HA -0.071 4.669 4.740 0.000 0.000 0.180 109 N C 1.155 176.602 175.510 -0.105 0.000 1.050 109 N CA 0.743 53.717 53.050 -0.126 0.000 0.906 109 N CB -0.486 38.070 38.487 0.116 0.000 0.968 109 N HN 0.681 nan 8.380 nan 0.000 0.445 110 Y N 1.772 121.741 120.300 -0.552 0.000 2.422 110 Y HA 0.268 4.818 4.550 0.000 0.000 0.291 110 Y C 0.844 176.493 175.900 -0.419 0.000 1.144 110 Y CA 0.026 57.660 58.100 -0.776 0.000 1.208 110 Y CB 0.363 37.947 38.460 -1.461 0.000 1.195 110 Y HN 0.058 nan 8.280 nan 0.000 0.535 111 R N 0.091 120.315 120.500 -0.460 0.000 2.888 111 R HA 0.583 4.923 4.340 0.000 0.000 0.264 111 R C -2.108 174.050 176.300 -0.236 0.000 1.045 111 R CA -1.092 54.752 56.100 -0.426 0.000 0.962 111 R CB 1.356 31.431 30.300 -0.374 0.000 1.210 111 R HN 0.134 nan 8.270 nan 0.000 0.479 112 L N 1.853 122.965 121.223 -0.184 0.000 2.301 112 L HA 0.395 4.735 4.340 0.000 0.000 0.278 112 L C -1.734 175.123 176.870 -0.020 0.000 1.022 112 L CA -0.641 54.132 54.840 -0.111 0.000 0.854 112 L CB 0.844 42.823 42.059 -0.134 0.000 1.226 112 L HN 0.657 nan 8.230 nan 0.000 0.429 113 Y N 5.298 125.529 120.300 -0.115 0.000 2.331 113 Y HA 0.531 5.081 4.550 0.000 0.000 0.338 113 Y C -1.343 174.562 175.900 0.008 0.000 0.976 113 Y CA -0.565 57.493 58.100 -0.071 0.000 1.137 113 Y CB 1.145 39.551 38.460 -0.090 0.000 1.172 113 Y HN 0.595 nan 8.280 nan 0.000 0.478 114 F N 6.732 126.401 119.950 -0.468 0.000 2.495 114 F HA 0.647 5.175 4.527 0.000 0.000 0.327 114 F C -1.379 174.166 175.800 -0.425 0.000 1.103 114 F CA -0.846 56.991 58.000 -0.272 0.000 0.949 114 F CB 1.270 40.257 39.000 -0.022 0.000 1.142 114 F HN 0.464 nan 8.300 nan 0.000 0.457 115 K N 3.825 123.632 120.400 -0.989 0.000 2.535 115 K HA 0.527 4.848 4.320 0.000 0.000 0.251 115 K C -1.907 174.340 176.600 -0.587 0.000 0.942 115 K CA -0.542 55.361 56.287 -0.640 0.000 0.798 115 K CB 1.879 34.209 32.500 -0.284 0.000 1.267 115 K HN 0.615 nan 8.250 nan 0.000 0.434 116 S N 4.460 120.005 115.700 -0.257 0.000 2.502 116 S HA 0.426 4.896 4.470 0.000 0.000 0.304 116 S C 0.194 174.797 174.600 0.005 0.000 1.097 116 S CA -0.751 57.382 58.200 -0.112 0.000 1.045 116 S CB 0.989 64.207 63.200 0.031 0.000 1.019 116 S HN 0.737 nan 8.310 nan 0.000 0.481 117 M N 3.195 122.789 119.600 -0.010 0.000 2.431 117 M HA 0.241 4.721 4.480 0.000 0.000 0.237 117 M C 1.147 177.460 176.300 0.022 0.000 1.130 117 M CA 0.325 55.633 55.300 0.012 0.000 1.002 117 M CB -0.653 31.947 32.600 0.001 0.000 1.524 117 M HN 0.731 nan 8.290 nan 0.000 0.482 118 E N 0.511 120.725 120.200 0.024 0.000 2.516 118 E HA -0.052 4.298 4.350 0.000 0.000 0.199 118 E C 0.432 177.050 176.600 0.031 0.000 1.069 118 E CA 0.391 56.805 56.400 0.024 0.000 0.876 118 E CB 0.450 30.163 29.700 0.022 0.000 0.843 118 E HN 0.258 nan 8.360 nan 0.000 0.530 119 R N -0.605 119.926 120.500 0.051 0.000 2.987 119 R HA 0.272 4.613 4.340 0.000 0.000 0.248 119 R C -1.471 174.867 176.300 0.063 0.000 1.264 119 R CA -0.614 55.523 56.100 0.062 0.000 1.026 119 R CB 1.442 31.802 30.300 0.101 0.000 1.286 119 R HN -0.154 nan 8.270 nan 0.000 0.483 120 D N 1.303 121.741 120.400 0.063 0.000 2.620 120 D HA 0.300 4.941 4.640 0.000 0.000 0.252 120 D C -2.027 174.308 176.300 0.059 0.000 1.207 120 D CA -1.206 52.826 54.000 0.053 0.000 0.884 120 D CB 1.440 42.262 40.800 0.037 0.000 1.262 120 D HN 0.390 nan 8.370 nan 0.000 0.552 121 P HA 0.154 nan 4.420 nan 0.000 0.263 121 P C -2.631 174.712 177.300 0.071 0.000 1.175 121 P CA -0.694 62.436 63.100 0.051 0.000 0.761 121 P CB -0.267 31.457 31.700 0.041 0.000 0.794 122 P HA -0.028 nan 4.420 nan 0.000 0.264 122 P C -0.317 177.035 177.300 0.087 0.000 1.179 122 P CA 0.210 63.350 63.100 0.068 0.000 0.763 122 P CB 0.148 31.869 31.700 0.036 0.000 0.806 123 F N 4.473 124.414 119.950 -0.015 0.000 2.472 123 F HA 0.326 4.854 4.527 0.000 0.000 0.364 123 F C -0.539 175.216 175.800 -0.074 0.000 1.090 123 F CA 0.113 58.114 58.000 0.001 0.000 1.188 123 F CB 0.431 39.472 39.000 0.068 0.000 1.105 123 F HN -0.029 nan 8.300 nan 0.000 0.536 124 V N 7.704 127.179 119.914 -0.731 0.000 2.638 124 V HA 0.426 4.546 4.120 0.000 0.000 0.306 124 V C -1.219 174.393 176.094 -0.803 0.000 1.052 124 V CA -0.865 61.034 62.300 -0.669 0.000 0.885 124 V CB 1.698 33.303 31.823 -0.363 0.000 0.999 124 V HN 0.647 nan 8.190 nan 0.000 0.424 125 L N 4.182 125.000 121.223 -0.675 0.000 2.372 125 L HA 0.705 5.045 4.340 0.000 0.000 0.273 125 L C -1.075 175.555 176.870 -0.400 0.000 0.989 125 L CA 0.137 54.678 54.840 -0.499 0.000 0.841 125 L CB 1.501 43.286 42.059 -0.456 0.000 1.225 125 L HN 0.696 nan 8.230 nan 0.000 0.414 126 D N 4.686 124.934 120.400 -0.255 0.000 2.471 126 D HA 0.709 5.349 4.640 0.000 0.000 0.245 126 D C -1.417 174.811 176.300 -0.120 0.000 1.116 126 D CA -0.063 53.883 54.000 -0.090 0.000 0.853 126 D CB 1.984 42.827 40.800 0.072 0.000 1.123 126 D HN 0.708 nan 8.370 nan 0.000 0.540 127 A N 2.603 125.331 122.820 -0.154 0.000 2.374 127 A HA 0.556 4.876 4.320 0.000 0.000 0.305 127 A C 0.026 177.445 177.584 -0.275 0.000 1.053 127 A CA -0.699 51.213 52.037 -0.209 0.000 0.726 127 A CB 1.146 20.003 19.000 -0.238 0.000 1.229 127 A HN 0.503 nan 8.150 nan 0.000 0.431 128 S N 2.274 117.768 115.700 -0.342 0.000 2.562 128 S HA 0.280 4.750 4.470 0.000 0.000 0.281 128 S C 0.991 175.348 174.600 -0.405 0.000 1.333 128 S CA -0.427 57.436 58.200 -0.562 0.000 1.052 128 S CB 0.162 63.002 63.200 -0.600 0.000 0.884 128 S HN 0.612 nan 8.310 nan 0.000 0.506 129 L N 2.854 123.812 121.223 -0.441 0.000 2.191 129 L HA 0.009 4.350 4.340 0.000 0.000 0.212 129 L C 2.761 179.471 176.870 -0.267 0.000 1.103 129 L CA 1.164 55.811 54.840 -0.321 0.000 0.769 129 L CB -1.209 40.675 42.059 -0.292 0.000 0.908 129 L HN 0.985 nan 8.230 nan 0.000 0.438 130 G N 0.170 108.844 108.800 -0.209 0.000 2.479 130 G HA2 -0.198 3.762 3.960 0.000 0.000 0.220 130 G HA3 -0.198 3.762 3.960 0.000 0.000 0.220 130 G C 1.536 176.407 174.900 -0.049 0.000 1.115 130 G CA 1.030 46.089 45.100 -0.068 0.000 0.757 130 G HN 0.403 nan 8.290 nan 0.000 0.560 131 V N -1.348 118.496 119.914 -0.117 0.000 3.306 131 V HA 0.350 4.470 4.120 0.000 0.000 0.264 131 V C 1.163 177.152 176.094 -0.176 0.000 1.149 131 V CA -0.217 61.985 62.300 -0.164 0.000 1.143 131 V CB -0.452 31.285 31.823 -0.144 0.000 0.767 131 V HN 0.227 nan 8.190 nan 0.000 0.476 132 I N 2.176 122.648 120.570 -0.163 0.000 2.471 132 I HA 0.179 4.349 4.170 0.000 0.000 0.286 132 I C 1.133 177.280 176.117 0.050 0.000 1.079 132 I CA 0.413 61.642 61.300 -0.118 0.000 1.398 132 I CB 0.457 38.334 38.000 -0.205 0.000 1.403 132 I HN 0.215 nan 8.210 nan 0.000 0.530 133 N N 5.046 123.804 118.700 0.096 0.000 2.428 133 N HA 0.160 4.900 4.740 0.000 0.000 0.181 133 N C -0.039 175.634 175.510 0.272 0.000 1.028 133 N CA 0.224 53.387 53.050 0.188 0.000 0.877 133 N CB 0.443 38.955 38.487 0.040 0.000 1.064 133 N HN 0.510 nan 8.380 nan 0.000 0.434 134 R N 0.174 120.761 120.500 0.145 0.000 2.771 134 R HA 0.555 4.895 4.340 0.000 0.000 0.274 134 R C -1.606 174.762 176.300 0.113 0.000 0.987 134 R CA -0.697 55.459 56.100 0.095 0.000 0.908 134 R CB 2.765 32.971 30.300 -0.156 0.000 1.213 134 R HN -0.199 nan 8.270 nan 0.000 0.468 135 V N 2.361 122.358 119.914 0.138 0.000 2.376 135 V HA 0.334 4.454 4.120 0.000 0.000 0.287 135 V C -0.571 175.671 176.094 0.247 0.000 1.015 135 V CA -0.763 61.619 62.300 0.137 0.000 0.834 135 V CB 1.537 33.368 31.823 0.013 0.000 1.001 135 V HN 0.614 nan 8.190 nan 0.000 0.428 136 E N 3.184 123.498 120.200 0.189 0.000 2.207 136 E HA 0.497 4.847 4.350 0.000 0.000 0.270 136 E C -0.703 175.960 176.600 0.106 0.000 0.927 136 E CA -0.852 55.638 56.400 0.149 0.000 0.799 136 E CB 2.470 32.197 29.700 0.046 0.000 1.172 136 E HN 0.484 nan 8.360 nan 0.000 0.404 137 K N 2.066 122.453 120.400 -0.021 0.000 2.258 137 K HA 0.372 4.692 4.320 0.000 0.000 0.284 137 K C -0.077 176.453 176.600 -0.117 0.000 1.051 137 K CA -0.383 55.805 56.287 -0.164 0.000 0.923 137 K CB 0.845 33.145 32.500 -0.333 0.000 1.046 137 K HN 0.291 nan 8.250 nan 0.000 0.474 138 I N 2.883 123.376 120.570 -0.128 0.000 2.321 138 I HA 0.264 4.434 4.170 0.000 0.000 0.291 138 I C 0.888 176.950 176.117 -0.091 0.000 0.998 138 I CA 0.086 61.336 61.300 -0.085 0.000 1.227 138 I CB 0.388 38.356 38.000 -0.054 0.000 1.368 138 I HN 0.888 nan 8.210 nan 0.000 0.466 139 G N 4.467 113.249 108.800 -0.029 0.000 2.860 139 G HA2 0.084 4.044 3.960 0.000 0.000 0.553 139 G HA3 0.084 4.044 3.960 0.000 0.000 0.553 139 G C -0.161 174.794 174.900 0.092 0.000 1.439 139 G CA -0.294 44.831 45.100 0.042 0.000 0.879 139 G HN 1.112 nan 8.290 nan 0.000 0.545 140 G N -2.139 106.767 108.800 0.177 0.000 3.039 140 G HA2 0.815 4.775 3.960 0.000 0.000 0.202 140 G HA3 0.815 4.775 3.960 0.000 0.000 0.202 140 G C 1.144 176.141 174.900 0.162 0.000 1.151 140 G CA 1.228 46.457 45.100 0.214 0.000 0.836 140 G HN 2.005 nan 8.290 nan 0.000 0.598 141 A N -0.303 122.552 122.820 0.058 0.000 1.897 141 A HA 0.201 4.521 4.320 0.000 0.000 0.215 141 A C 2.199 179.769 177.584 -0.022 0.000 1.181 141 A CA 2.362 54.384 52.037 -0.025 0.000 0.620 141 A CB -0.652 18.334 19.000 -0.024 0.000 0.821 141 A HN 0.609 nan 8.150 nan 0.000 0.443 142 S N 0.689 116.389 115.700 0.001 0.000 2.720 142 S HA 0.107 4.577 4.470 0.000 0.000 0.222 142 S C 0.448 175.052 174.600 0.006 0.000 0.958 142 S CA 0.003 58.201 58.200 -0.002 0.000 0.943 142 S CB -0.329 62.870 63.200 -0.000 0.000 0.779 142 S HN 0.372 nan 8.310 nan 0.000 0.526 143 S N 1.859 117.571 115.700 0.020 0.000 2.409 143 S HA 0.293 4.763 4.470 0.000 0.000 0.308 143 S C 0.950 175.557 174.600 0.010 0.000 1.080 143 S CA -0.537 57.685 58.200 0.037 0.000 1.081 143 S CB 0.417 63.680 63.200 0.105 0.000 1.009 143 S HN 0.368 nan 8.310 nan 0.000 0.502 144 R N 1.993 122.494 120.500 0.001 0.000 2.397 144 R HA 0.164 4.504 4.340 0.000 0.000 0.241 144 R C 1.339 177.636 176.300 -0.005 0.000 0.914 144 R CA -0.183 55.911 56.100 -0.009 0.000 1.071 144 R CB 0.446 30.737 30.300 -0.014 0.000 1.116 144 R HN 0.632 nan 8.270 nan 0.000 0.524 145 G N 0.880 109.682 108.800 0.003 0.000 2.486 145 G HA2 -0.005 3.955 3.960 0.000 0.000 0.272 145 G HA3 -0.005 3.955 3.960 0.000 0.000 0.272 145 G C -0.367 174.534 174.900 0.002 0.000 1.426 145 G CA -0.345 44.754 45.100 -0.001 0.000 1.058 145 G HN 0.021 nan 8.290 nan 0.000 0.531 146 E N 0.208 120.405 120.200 -0.005 0.000 2.158 146 E HA 0.184 4.535 4.350 0.000 0.000 0.271 146 E C -0.273 176.324 176.600 -0.005 0.000 0.911 146 E CA -0.332 56.065 56.400 -0.005 0.000 0.767 146 E CB 0.673 30.363 29.700 -0.017 0.000 1.120 146 E HN 0.616 nan 8.360 nan 0.000 0.405 147 N N 1.370 120.078 118.700 0.012 0.000 2.747 147 N HA -0.213 4.527 4.740 0.000 0.000 0.249 147 N C 0.522 176.042 175.510 0.017 0.000 1.107 147 N CA 0.635 53.690 53.050 0.008 0.000 0.707 147 N CB -0.899 37.563 38.487 -0.043 0.000 1.054 147 N HN 0.410 nan 8.380 nan 0.000 0.555 148 S N -1.597 114.134 115.700 0.053 0.000 2.517 148 S HA 0.002 4.472 4.470 0.000 0.000 0.214 148 S C 0.119 174.791 174.600 0.120 0.000 0.991 148 S CA -0.144 58.091 58.200 0.058 0.000 0.906 148 S CB 0.205 63.431 63.200 0.044 0.000 0.789 148 S HN 0.430 nan 8.310 nan 0.000 0.513 149 Y N 1.900 122.211 120.300 0.019 0.000 2.335 149 Y HA 0.649 5.200 4.550 0.000 0.000 0.339 149 Y C 0.445 176.401 175.900 0.093 0.000 0.987 149 Y CA 0.131 58.252 58.100 0.035 0.000 1.140 149 Y CB 0.842 39.323 38.460 0.034 0.000 1.173 149 Y HN 0.344 nan 8.280 nan 0.000 0.486 150 G N 4.430 113.083 108.800 -0.245 0.000 2.364 150 G HA2 0.343 4.303 3.960 0.000 0.000 0.286 150 G HA3 0.343 4.303 3.960 0.000 0.000 0.286 150 G C -2.228 172.635 174.900 -0.060 0.000 1.241 150 G CA -0.931 44.152 45.100 -0.028 0.000 0.887 150 G HN 0.624 nan 8.290 nan 0.000 0.484 151 L N -0.135 121.174 121.223 0.143 0.000 2.333 151 L HA 0.819 5.160 4.340 0.000 0.000 0.263 151 L C -0.667 176.309 176.870 0.177 0.000 1.014 151 L CA -0.791 54.141 54.840 0.152 0.000 0.820 151 L CB 2.622 44.821 42.059 0.232 0.000 1.352 151 L HN 0.727 nan 8.230 nan 0.000 0.421 152 E N 0.805 121.086 120.200 0.136 0.000 2.274 152 E HA 0.329 4.679 4.350 0.000 0.000 0.269 152 E C -1.420 175.232 176.600 0.087 0.000 0.891 152 E CA -0.517 55.933 56.400 0.082 0.000 0.784 152 E CB 1.886 31.592 29.700 0.011 0.000 1.225 152 E HN 0.624 nan 8.360 nan 0.000 0.412 153 T N 0.483 115.089 114.554 0.086 0.000 2.749 153 T HA 0.428 4.778 4.350 0.000 0.000 0.287 153 T C 0.002 174.686 174.700 -0.028 0.000 0.970 153 T CA -0.711 61.415 62.100 0.043 0.000 0.980 153 T CB 1.089 69.988 68.868 0.052 0.000 0.924 153 T HN 0.123 nan 8.240 nan 0.000 0.456 154 V N 3.919 123.810 119.914 -0.039 0.000 2.408 154 V HA 0.271 4.391 4.120 0.000 0.000 0.267 154 V C 0.611 176.644 176.094 -0.102 0.000 1.047 154 V CA -0.733 61.518 62.300 -0.081 0.000 0.937 154 V CB -0.150 31.622 31.823 -0.085 0.000 0.999 154 V HN 1.111 nan 8.190 nan 0.000 0.472 155 C N 4.466 123.670 119.300 -0.159 0.000 2.345 155 C HA 0.399 4.859 4.460 0.000 0.000 0.370 155 C C 1.701 176.575 174.990 -0.193 0.000 1.209 155 C CA -0.863 58.041 59.018 -0.189 0.000 2.133 155 C CB 1.473 29.062 27.740 -0.252 0.000 2.293 155 C HN 0.915 nan 8.230 nan 0.000 0.544 156 K N 0.596 120.843 120.400 -0.255 0.000 2.314 156 K HA -0.030 4.290 4.320 0.000 0.000 0.198 156 K C 0.466 176.943 176.600 -0.205 0.000 1.045 156 K CA 0.884 56.951 56.287 -0.366 0.000 0.988 156 K CB 0.017 31.980 32.500 -0.895 0.000 0.783 156 K HN 0.760 nan 8.250 nan 0.000 0.484 157 D N 1.540 121.879 120.400 -0.101 0.000 2.706 157 D HA -0.001 4.639 4.640 0.000 0.000 0.236 157 D C 0.013 176.341 176.300 0.047 0.000 1.231 157 D CA -0.338 53.703 54.000 0.070 0.000 0.828 157 D CB -0.264 40.647 40.800 0.185 0.000 1.015 157 D HN 0.053 nan 8.370 nan 0.000 0.484 158 I N -0.571 119.975 120.570 -0.041 0.000 6.173 158 I HA -0.299 3.871 4.170 0.000 0.000 0.126 158 I C -0.244 175.740 176.117 -0.220 0.000 1.821 158 I CA 0.470 61.742 61.300 -0.046 0.000 2.040 158 I CB -2.991 35.015 38.000 0.010 0.000 3.448 158 I HN 0.601 nan 8.210 nan 0.000 0.170 159 R N -0.373 119.808 120.500 -0.531 0.000 2.774 159 R HA 0.736 5.076 4.340 0.000 0.000 0.279 159 R C -1.273 174.631 176.300 -0.659 0.000 1.022 159 R CA -0.977 54.393 56.100 -1.216 0.000 0.855 159 R CB 1.529 30.979 30.300 -1.416 0.000 1.279 159 R HN 0.048 nan 8.270 nan 0.000 0.485 160 N N 0.428 118.833 118.700 -0.492 0.000 2.229 160 N HA 0.521 5.261 4.740 0.000 0.000 0.298 160 N C -1.283 174.159 175.510 -0.113 0.000 1.114 160 N CA -0.672 52.267 53.050 -0.186 0.000 0.776 160 N CB 2.365 40.816 38.487 -0.060 0.000 1.501 160 N HN 0.436 nan 8.380 nan 0.000 0.474 161 L N 1.548 122.708 121.223 -0.105 0.000 2.346 161 L HA 0.629 4.970 4.340 0.000 0.000 0.276 161 L C -0.134 176.622 176.870 -0.191 0.000 1.006 161 L CA -0.968 53.813 54.840 -0.100 0.000 0.817 161 L CB 1.708 43.723 42.059 -0.073 0.000 1.272 161 L HN 0.535 nan 8.230 nan 0.000 0.421 162 R N 2.024 122.263 120.500 -0.435 0.000 2.621 162 R HA 0.766 5.106 4.340 0.000 0.000 0.284 162 R C -1.890 173.989 176.300 -0.702 0.000 0.998 162 R CA -0.436 55.416 56.100 -0.413 0.000 0.895 162 R CB 1.217 31.367 30.300 -0.250 0.000 1.195 162 R HN 0.242 nan 8.270 nan 0.000 0.450 163 F N 1.310 121.222 119.950 -0.063 0.000 2.577 163 F HA 0.841 5.368 4.527 0.000 0.000 0.318 163 F C -0.030 175.718 175.800 -0.086 0.000 1.065 163 F CA -1.072 56.852 58.000 -0.125 0.000 0.929 163 F CB 2.659 41.578 39.000 -0.135 0.000 1.237 163 F HN 0.819 nan 8.300 nan 0.000 0.468 164 A N 1.726 124.566 122.820 0.032 0.000 2.330 164 A HA 0.712 5.032 4.320 0.000 0.000 0.327 164 A C -1.064 176.518 177.584 -0.003 0.000 1.155 164 A CA -0.452 51.619 52.037 0.057 0.000 0.803 164 A CB 0.589 19.599 19.000 0.015 0.000 1.208 164 A HN 0.862 nan 8.150 nan 0.000 0.477 165 H N 0.972 120.125 119.070 0.138 0.000 2.731 165 H HA 0.352 4.908 4.556 0.000 0.000 0.368 165 H C -0.777 174.700 175.328 0.248 0.000 1.168 165 H CA -0.734 55.421 56.048 0.178 0.000 1.181 165 H CB 1.897 31.757 29.762 0.164 0.000 1.743 165 H HN 0.610 nan 8.280 nan 0.000 0.547 166 K N 2.029 122.608 120.400 0.298 0.000 2.227 166 K HA 0.165 4.485 4.320 0.000 0.000 0.280 166 K C -1.851 174.836 176.600 0.145 0.000 1.041 166 K CA -1.672 54.720 56.287 0.175 0.000 0.905 166 K CB 1.491 34.049 32.500 0.097 0.000 1.068 166 K HN 0.283 nan 8.250 nan 0.000 0.470 167 P HA -0.269 nan 4.420 nan 0.000 0.216 167 P C 0.957 178.216 177.300 -0.068 0.000 1.153 167 P CA 1.288 64.228 63.100 -0.267 0.000 0.858 167 P CB 0.214 31.585 31.700 -0.548 0.000 0.789 168 E N -0.370 119.803 120.200 -0.045 0.000 2.418 168 E HA -0.055 4.295 4.350 0.000 0.000 0.197 168 E C 1.953 178.569 176.600 0.027 0.000 1.026 168 E CA 1.427 57.820 56.400 -0.013 0.000 0.862 168 E CB -1.349 28.341 29.700 -0.016 0.000 0.799 168 E HN 0.219 nan 8.360 nan 0.000 0.518 169 G N 1.399 110.236 108.800 0.062 0.000 2.484 169 G HA2 -0.196 3.764 3.960 0.000 0.000 0.218 169 G HA3 -0.196 3.764 3.960 0.000 0.000 0.218 169 G C 0.630 175.585 174.900 0.092 0.000 1.130 169 G CA 0.082 45.233 45.100 0.086 0.000 0.784 169 G HN 0.244 nan 8.290 nan 0.000 0.543 170 R N -0.413 120.144 120.500 0.096 0.000 3.188 170 R HA -0.185 4.155 4.340 0.000 0.000 0.247 170 R C 1.229 177.583 176.300 0.089 0.000 0.918 170 R CA 0.801 56.952 56.100 0.085 0.000 0.629 170 R CB -2.202 28.131 30.300 0.054 0.000 1.087 170 R HN 0.567 nan 8.270 nan 0.000 0.462 171 T N -5.313 109.310 114.554 0.115 0.000 2.964 171 T HA 0.087 4.438 4.350 0.000 0.000 0.250 171 T C 1.487 176.172 174.700 -0.025 0.000 0.982 171 T CA -0.042 62.122 62.100 0.106 0.000 0.959 171 T CB 0.106 69.109 68.868 0.224 0.000 1.141 171 T HN 0.349 nan 8.240 nan 0.000 0.494 172 R N 1.354 121.738 120.500 -0.193 0.000 2.103 172 R HA -0.033 4.308 4.340 0.000 0.000 0.242 172 R C 2.661 178.849 176.300 -0.187 0.000 1.142 172 R CA 1.526 57.307 56.100 -0.532 0.000 0.960 172 R CB -0.204 29.774 30.300 -0.536 0.000 0.858 172 R HN 0.355 nan 8.270 nan 0.000 0.439 173 R N -0.355 120.111 120.500 -0.056 0.000 2.070 173 R HA -0.118 4.222 4.340 0.000 0.000 0.233 173 R C 2.460 178.816 176.300 0.093 0.000 1.137 173 R CA 1.954 58.070 56.100 0.027 0.000 0.945 173 R CB -0.425 29.893 30.300 0.031 0.000 0.845 173 R HN 0.148 nan 8.270 nan 0.000 0.430 174 S N 0.055 115.790 115.700 0.059 0.000 2.359 174 S HA -0.112 4.358 4.470 0.000 0.000 0.224 174 S C 1.924 176.564 174.600 0.067 0.000 1.035 174 S CA 1.263 59.503 58.200 0.067 0.000 1.018 174 S CB -0.192 63.041 63.200 0.055 0.000 0.876 174 S HN 0.276 nan 8.310 nan 0.000 0.448 175 I N 0.891 121.488 120.570 0.044 0.000 2.142 175 I HA -0.097 4.073 4.170 0.000 0.000 0.240 175 I C 2.130 178.271 176.117 0.039 0.000 1.078 175 I CA 1.296 62.614 61.300 0.030 0.000 1.343 175 I CB -1.628 36.389 38.000 0.029 0.000 1.046 175 I HN 0.392 nan 8.210 nan 0.000 0.405 176 F N 2.224 122.130 119.950 -0.073 0.000 2.120 176 F HA -0.252 4.275 4.527 0.000 0.000 0.300 176 F C 2.508 178.310 175.800 0.002 0.000 1.095 176 F CA 1.932 59.905 58.000 -0.044 0.000 1.249 176 F CB -0.222 38.735 39.000 -0.072 0.000 0.995 176 F HN 0.153 nan 8.300 nan 0.000 0.480 177 E N -0.312 119.946 120.200 0.096 0.000 2.107 177 E HA -0.183 4.167 4.350 0.000 0.000 0.191 177 E C 1.897 178.479 176.600 -0.030 0.000 0.982 177 E CA 0.958 57.370 56.400 0.020 0.000 0.809 177 E CB -0.266 29.508 29.700 0.124 0.000 0.756 177 E HN 0.480 nan 8.360 nan 0.000 0.459 178 N N 0.701 119.418 118.700 0.029 0.000 2.270 178 N HA -0.058 4.683 4.740 0.000 0.000 0.181 178 N C 1.967 177.531 175.510 0.090 0.000 1.016 178 N CA 0.572 53.699 53.050 0.128 0.000 0.870 178 N CB 0.068 38.642 38.487 0.144 0.000 0.979 178 N HN 0.156 nan 8.380 nan 0.000 0.431 179 L N 0.563 121.751 121.223 -0.058 0.000 2.027 179 L HA -0.102 4.238 4.340 0.000 0.000 0.206 179 L C 2.363 179.112 176.870 -0.202 0.000 1.074 179 L CA 0.864 55.623 54.840 -0.135 0.000 0.745 179 L CB -0.281 41.674 42.059 -0.173 0.000 0.898 179 L HN 0.111 nan 8.230 nan 0.000 0.433 180 M N -0.231 119.225 119.600 -0.241 0.000 2.108 180 M HA -0.261 4.220 4.480 0.000 0.000 0.261 180 M C 2.247 178.540 176.300 -0.011 0.000 1.066 180 M CA 1.726 56.970 55.300 -0.094 0.000 1.107 180 M CB -1.009 31.432 32.600 -0.264 0.000 1.356 180 M HN 0.198 nan 8.290 nan 0.000 0.406 181 K N -0.579 119.749 120.400 -0.120 0.000 2.031 181 K HA -0.161 4.159 4.320 0.000 0.000 0.205 181 K C 1.805 178.176 176.600 -0.382 0.000 1.049 181 K CA 1.454 57.593 56.287 -0.247 0.000 0.939 181 K CB -0.077 32.205 32.500 -0.364 0.000 0.717 181 K HN 0.242 nan 8.250 nan 0.000 0.438 182 Y N -0.396 119.847 120.300 -0.096 0.000 2.517 182 Y HA 0.136 4.686 4.550 0.000 0.000 0.281 182 Y C 2.007 177.786 175.900 -0.202 0.000 1.125 182 Y CA 0.528 58.565 58.100 -0.105 0.000 1.283 182 Y CB 0.251 38.654 38.460 -0.094 0.000 1.042 182 Y HN 0.183 nan 8.280 nan 0.000 0.547 183 A N -0.823 121.818 122.820 -0.299 0.000 2.072 183 A HA 0.101 4.422 4.320 0.000 0.000 0.216 183 A C 0.499 177.620 177.584 -0.772 0.000 1.156 183 A CA 0.596 52.256 52.037 -0.629 0.000 0.701 183 A CB -0.565 17.839 19.000 -0.992 0.000 0.816 183 A HN 0.379 nan 8.150 nan 0.000 0.458 184 F N -0.161 119.773 119.950 -0.027 0.000 2.597 184 F HA 0.270 4.797 4.527 0.000 0.000 0.336 184 F C -1.551 174.229 175.800 -0.033 0.000 1.432 184 F CA -1.843 56.146 58.000 -0.018 0.000 1.120 184 F CB 1.067 40.047 39.000 -0.035 0.000 1.253 184 F HN 0.080 nan 8.300 nan 0.000 0.546 185 P HA -0.198 nan 4.420 nan 0.000 0.216 185 P C 1.748 179.084 177.300 0.060 0.000 1.153 185 P CA 1.411 64.531 63.100 0.034 0.000 0.858 185 P CB 0.357 32.102 31.700 0.074 0.000 0.789 186 V N 0.492 120.470 119.914 0.107 0.000 2.469 186 V HA -0.181 3.939 4.120 0.000 0.000 0.251 186 V C 2.587 178.718 176.094 0.061 0.000 1.064 186 V CA 2.319 64.672 62.300 0.088 0.000 1.066 186 V CB -1.497 30.399 31.823 0.122 0.000 0.667 186 V HN 0.189 nan 8.190 nan 0.000 0.461 187 S N 0.026 115.774 115.700 0.079 0.000 2.527 187 S HA 0.023 4.493 4.470 0.000 0.000 0.222 187 S C 1.297 175.907 174.600 0.016 0.000 0.985 187 S CA 0.432 58.654 58.200 0.038 0.000 0.921 187 S CB -0.187 63.029 63.200 0.026 0.000 0.772 187 S HN 0.639 nan 8.310 nan 0.000 0.529 188 N N 2.192 120.899 118.700 0.012 0.000 2.275 188 N HA 0.104 4.844 4.740 0.000 0.000 0.236 188 N C -0.162 175.327 175.510 -0.035 0.000 1.154 188 N CA -0.023 53.011 53.050 -0.027 0.000 0.866 188 N CB 0.007 38.451 38.487 -0.072 0.000 1.093 188 N HN 0.425 nan 8.380 nan 0.000 0.515 189 N N 1.028 119.718 118.700 -0.017 0.000 2.727 189 N HA -0.192 4.548 4.740 0.000 0.000 0.249 189 N C -1.244 174.251 175.510 -0.026 0.000 1.048 189 N CA 0.476 53.514 53.050 -0.020 0.000 0.714 189 N CB -1.037 37.436 38.487 -0.022 0.000 0.959 189 N HN 0.304 nan 8.380 nan 0.000 0.544 190 L N 0.005 121.217 121.223 -0.018 0.000 2.309 190 L HA 0.705 5.045 4.340 0.000 0.000 0.261 190 L C -2.019 174.866 176.870 0.025 0.000 1.021 190 L CA -1.786 53.050 54.840 -0.007 0.000 0.823 190 L CB 1.800 43.839 42.059 -0.034 0.000 1.366 190 L HN 0.006 nan 8.230 nan 0.000 0.423 191 P HA 0.286 nan 4.420 nan 0.000 0.279 191 P C -0.993 176.434 177.300 0.212 0.000 1.252 191 P CA -0.502 62.648 63.100 0.084 0.000 0.811 191 P CB 1.068 32.806 31.700 0.063 0.000 1.035 192 L N 2.022 123.441 121.223 0.326 0.000 2.426 192 L HA 0.124 4.464 4.340 0.000 0.000 0.271 192 L C 1.888 178.970 176.870 0.352 0.000 1.169 192 L CA -0.461 54.579 54.840 0.334 0.000 0.836 192 L CB -0.141 42.113 42.059 0.326 0.000 1.112 192 L HN 0.331 nan 8.230 nan 0.000 0.465 193 F N 2.555 122.593 119.950 0.147 0.000 2.287 193 F HA -0.272 4.255 4.527 0.000 0.000 0.301 193 F C 2.099 177.910 175.800 0.018 0.000 1.069 193 F CA 1.400 59.462 58.000 0.105 0.000 1.372 193 F CB -0.097 38.990 39.000 0.145 0.000 1.056 193 F HN 0.610 nan 8.300 nan 0.000 0.523 194 A N -0.466 122.306 122.820 -0.080 0.000 1.978 194 A HA -0.195 4.125 4.320 0.000 0.000 0.220 194 A C 1.950 179.314 177.584 -0.368 0.000 1.170 194 A CA 1.636 53.492 52.037 -0.301 0.000 0.636 194 A CB -1.445 17.323 19.000 -0.387 0.000 0.810 194 A HN 0.417 nan 8.150 nan 0.000 0.448 195 F N -0.124 119.774 119.950 -0.087 0.000 2.710 195 F HA 0.059 4.587 4.527 0.000 0.000 0.298 195 F C 1.923 177.642 175.800 -0.135 0.000 1.137 195 F CA 1.009 58.964 58.000 -0.074 0.000 1.444 195 F CB 0.170 39.150 39.000 -0.034 0.000 1.111 195 F HN 0.296 nan 8.300 nan 0.000 0.580 196 E N -1.413 118.703 120.200 -0.139 0.000 2.526 196 E HA -0.016 4.334 4.350 0.000 0.000 0.208 196 E C -0.440 175.897 176.600 -0.438 0.000 0.997 196 E CA -0.182 56.080 56.400 -0.230 0.000 0.961 196 E CB 0.225 29.828 29.700 -0.162 0.000 1.030 196 E HN 0.247 nan 8.360 nan 0.000 0.483 197 Y N 3.777 123.638 120.300 -0.733 0.000 2.539 197 Y HA 0.052 4.602 4.550 0.000 0.000 0.352 197 Y C 0.655 176.372 175.900 -0.306 0.000 1.004 197 Y CA -0.887 56.809 58.100 -0.673 0.000 1.278 197 Y CB 0.320 38.379 38.460 -0.668 0.000 1.136 197 Y HN -0.185 nan 8.280 nan 0.000 0.528 198 K N 4.604 124.754 120.400 -0.417 0.000 2.576 198 K HA 0.122 4.442 4.320 0.000 0.000 0.209 198 K C -0.094 176.240 176.600 -0.443 0.000 1.049 198 K CA -0.211 55.863 56.287 -0.354 0.000 1.140 198 K CB 0.065 32.450 32.500 -0.192 0.000 0.871 198 K HN 0.750 nan 8.250 nan 0.000 0.479 199 E N 0.874 120.582 120.200 -0.821 0.000 2.410 199 E HA 0.165 4.515 4.350 0.000 0.000 0.255 199 E C -0.996 175.308 176.600 -0.493 0.000 1.194 199 E CA -0.510 55.479 56.400 -0.685 0.000 0.955 199 E CB 0.909 30.077 29.700 -0.887 0.000 0.988 199 E HN 0.030 nan 8.360 nan 0.000 0.461 200 V N 2.967 122.579 119.914 -0.503 0.000 2.623 200 V HA 0.415 4.535 4.120 0.000 0.000 0.304 200 V C -1.035 174.802 176.094 -0.429 0.000 1.054 200 V CA -0.680 61.449 62.300 -0.285 0.000 0.882 200 V CB 1.001 32.730 31.823 -0.158 0.000 1.002 200 V HN 0.565 nan 8.190 nan 0.000 0.424 201 F N 3.696 123.667 119.950 0.036 0.000 2.556 201 F HA 0.597 5.124 4.527 0.000 0.000 0.327 201 F C -1.326 174.506 175.800 0.053 0.000 1.059 201 F CA -2.023 56.017 58.000 0.066 0.000 0.953 201 F CB 1.388 40.448 39.000 0.100 0.000 1.227 201 F HN 0.312 nan 8.300 nan 0.000 0.478 202 P HA -0.083 nan 4.420 nan 0.000 0.215 202 P C -0.315 177.068 177.300 0.138 0.000 1.157 202 P CA 1.319 64.507 63.100 0.146 0.000 0.863 202 P CB 0.248 32.023 31.700 0.126 0.000 0.787 203 E N 0.009 120.300 120.200 0.151 0.000 2.277 203 E HA 0.186 4.536 4.350 0.000 0.000 0.274 203 E C -0.236 176.431 176.600 0.112 0.000 1.022 203 E CA -0.420 56.043 56.400 0.105 0.000 0.853 203 E CB 0.526 30.265 29.700 0.066 0.000 1.086 203 E HN -0.072 nan 8.360 nan 0.000 0.397 204 N N 0.931 119.691 118.700 0.100 0.000 2.621 204 N HA 0.143 4.883 4.740 0.000 0.000 0.237 204 N C 0.833 176.390 175.510 0.079 0.000 0.997 204 N CA -0.196 52.925 53.050 0.118 0.000 0.918 204 N CB 1.058 39.643 38.487 0.164 0.000 1.122 204 N HN 0.594 nan 8.380 nan 0.000 0.510 205 G N 1.471 110.249 108.800 -0.037 0.000 2.485 205 G HA2 -0.256 3.705 3.960 0.000 0.000 0.221 205 G HA3 -0.256 3.705 3.960 0.000 0.000 0.221 205 G C 0.977 175.867 174.900 -0.016 0.000 1.115 205 G CA 0.413 45.479 45.100 -0.057 0.000 0.751 205 G HN 0.695 nan 8.290 nan 0.000 0.567 206 W N 0.010 121.365 121.300 0.092 0.000 2.525 206 W HA 0.187 4.847 4.660 0.000 0.000 0.259 206 W C 2.244 178.819 176.519 0.094 0.000 1.253 206 W CA 0.456 57.852 57.345 0.085 0.000 1.262 206 W CB 0.301 29.789 29.460 0.046 0.000 1.122 206 W HN 0.090 nan 8.180 nan 0.000 0.607 207 K N -0.224 120.342 120.400 0.276 0.000 2.372 207 K HA 0.057 4.378 4.320 0.000 0.000 0.200 207 K C 1.541 178.225 176.600 0.140 0.000 1.022 207 K CA -0.118 56.279 56.287 0.185 0.000 1.125 207 K CB -0.001 32.584 32.500 0.140 0.000 0.855 207 K HN -0.019 nan 8.250 nan 0.000 0.524 208 L N 0.230 121.543 121.223 0.149 0.000 2.017 208 L HA -0.070 4.270 4.340 0.000 0.000 0.208 208 L C 0.243 177.209 176.870 0.160 0.000 1.073 208 L CA 1.562 56.467 54.840 0.108 0.000 0.745 208 L CB -0.202 41.879 42.059 0.036 0.000 0.894 208 L HN 0.149 nan 8.230 nan 0.000 0.432 209 Y N 0.926 121.264 120.300 0.064 0.000 2.341 209 Y HA 0.388 4.939 4.550 0.000 0.000 0.340 209 Y C -0.857 175.089 175.900 0.076 0.000 0.997 209 Y CA -1.720 56.420 58.100 0.065 0.000 1.149 209 Y CB 0.412 38.913 38.460 0.069 0.000 1.171 209 Y HN 0.135 nan 8.280 nan 0.000 0.494 210 D N 9.029 129.148 120.400 -0.469 0.000 2.454 210 D HA 0.304 4.944 4.640 0.000 0.000 0.247 210 D C -2.215 173.702 176.300 -0.639 0.000 1.129 210 D CA -2.330 51.386 54.000 -0.473 0.000 0.877 210 D CB 2.137 42.839 40.800 -0.164 0.000 1.082 210 D HN 0.312 nan 8.370 nan 0.000 0.537 211 P HA -0.222 nan 4.420 nan 0.000 0.214 211 P C 1.686 178.927 177.300 -0.098 0.000 1.172 211 P CA 0.687 63.520 63.100 -0.445 0.000 0.925 211 P CB 0.282 31.925 31.700 -0.096 0.000 0.793 212 L N -1.288 119.969 121.223 0.055 0.000 2.043 212 L HA -0.189 4.151 4.340 0.000 0.000 0.212 212 L C 2.305 179.226 176.870 0.085 0.000 1.075 212 L CA 1.847 56.779 54.840 0.153 0.000 0.752 212 L CB -1.326 40.773 42.059 0.066 0.000 0.891 212 L HN -0.082 nan 8.230 nan 0.000 0.432 213 L N -1.056 120.157 121.223 -0.017 0.000 2.109 213 L HA -0.157 4.183 4.340 0.000 0.000 0.207 213 L C 2.524 179.371 176.870 -0.037 0.000 1.086 213 L CA 1.185 56.011 54.840 -0.025 0.000 0.760 213 L CB -0.525 41.510 42.059 -0.040 0.000 0.910 213 L HN 0.332 nan 8.230 nan 0.000 0.437 214 E N 0.209 120.371 120.200 -0.065 0.000 2.051 214 E HA -0.248 4.102 4.350 0.000 0.000 0.192 214 E C 2.075 178.637 176.600 -0.064 0.000 0.991 214 E CA 1.767 58.138 56.400 -0.048 0.000 0.799 214 E CB -0.489 29.243 29.700 0.054 0.000 0.748 214 E HN 0.451 nan 8.360 nan 0.000 0.449 215 Y N -0.156 120.177 120.300 0.056 0.000 2.128 215 Y HA -0.215 4.335 4.550 0.000 0.000 0.284 215 Y C 2.628 178.509 175.900 -0.031 0.000 1.154 215 Y CA 1.438 59.549 58.100 0.019 0.000 1.149 215 Y CB -0.231 38.247 38.460 0.030 0.000 0.976 215 Y HN 0.029 nan 8.280 nan 0.000 0.505 216 R N 0.998 121.570 120.500 0.120 0.000 2.091 216 R HA -0.180 4.160 4.340 0.000 0.000 0.238 216 R C 2.307 178.588 176.300 -0.031 0.000 1.136 216 R CA 1.618 57.739 56.100 0.035 0.000 0.959 216 R CB -0.411 29.898 30.300 0.016 0.000 0.856 216 R HN 0.209 nan 8.270 nan 0.000 0.437 217 R N 0.099 120.554 120.500 -0.075 0.000 2.127 217 R HA -0.140 4.200 4.340 0.000 0.000 0.238 217 R C 1.548 177.751 176.300 -0.163 0.000 1.134 217 R CA 1.917 57.922 56.100 -0.159 0.000 0.975 217 R CB -0.029 30.105 30.300 -0.276 0.000 0.865 217 R HN 0.435 nan 8.270 nan 0.000 0.447 218 Q N -1.101 118.624 119.800 -0.125 0.000 2.403 218 Q HA 0.101 4.442 4.340 0.000 0.000 0.203 218 Q C 0.519 176.427 176.000 -0.154 0.000 0.932 218 Q CA 0.510 56.205 55.803 -0.181 0.000 0.945 218 Q CB 0.882 29.513 28.738 -0.179 0.000 1.045 218 Q HN 0.615 nan 8.270 nan 0.000 0.511 219 G N 1.329 110.078 108.800 -0.085 0.000 2.171 219 G HA2 -0.188 3.772 3.960 0.000 0.000 0.238 219 G HA3 -0.188 3.772 3.960 0.000 0.000 0.238 219 G C -0.135 174.751 174.900 -0.023 0.000 1.039 219 G CA -0.334 44.730 45.100 -0.060 0.000 0.759 219 G HN 0.193 nan 8.290 nan 0.000 0.501 220 I N 1.387 121.962 120.570 0.008 0.000 2.437 220 I HA 0.415 4.586 4.170 0.000 0.000 0.298 220 I C -1.534 174.613 176.117 0.051 0.000 0.984 220 I CA -3.009 58.316 61.300 0.041 0.000 1.214 220 I CB 1.180 39.209 38.000 0.048 0.000 1.365 220 I HN -0.016 nan 8.210 nan 0.000 0.469 221 P HA 0.150 nan 4.420 nan 0.000 0.275 221 P C -1.059 176.274 177.300 0.055 0.000 1.228 221 P CA -0.078 63.053 63.100 0.052 0.000 0.786 221 P CB 1.275 32.997 31.700 0.037 0.000 0.927 222 N N 1.191 119.942 118.700 0.086 0.000 3.427 222 N HA 0.149 4.889 4.740 0.000 0.000 0.364 222 N C 0.847 176.389 175.510 0.053 0.000 1.538 222 N CA -0.471 52.619 53.050 0.065 0.000 0.662 222 N CB -0.064 38.469 38.487 0.077 0.000 1.881 222 N HN 0.277 nan 8.380 nan 0.000 0.634 223 E N -0.416 119.806 120.200 0.037 0.000 2.107 223 E HA 0.031 4.381 4.350 0.000 0.000 0.191 223 E C 1.159 177.741 176.600 -0.029 0.000 0.982 223 E CA 1.263 57.665 56.400 0.004 0.000 0.809 223 E CB -0.077 29.621 29.700 -0.003 0.000 0.756 223 E HN 0.498 nan 8.360 nan 0.000 0.459 224 S N -0.267 115.425 115.700 -0.013 0.000 2.458 224 S HA 0.014 4.484 4.470 0.000 0.000 0.223 224 S C -0.214 174.146 174.600 -0.400 0.000 1.019 224 S CA 0.350 58.443 58.200 -0.179 0.000 0.937 224 S CB 0.112 63.244 63.200 -0.113 0.000 0.788 224 S HN 0.211 nan 8.310 nan 0.000 0.511 225 W N 2.692 123.972 121.300 -0.033 0.000 2.683 225 W HA 0.519 5.179 4.660 0.000 0.000 0.329 225 W C 0.073 176.564 176.519 -0.046 0.000 1.037 225 W CA -1.033 56.289 57.345 -0.039 0.000 1.232 225 W CB 0.971 30.411 29.460 -0.034 0.000 1.390 225 W HN -0.044 nan 8.180 nan 0.000 0.465 226 R N 2.067 122.656 120.500 0.148 0.000 2.875 226 R HA 0.883 5.224 4.340 0.000 0.000 0.251 226 R C -0.979 175.355 176.300 0.056 0.000 1.123 226 R CA -0.897 55.245 56.100 0.071 0.000 1.064 226 R CB 1.505 31.820 30.300 0.025 0.000 1.205 226 R HN 0.535 nan 8.270 nan 0.000 0.503 227 I N 0.943 121.517 120.570 0.006 0.000 2.378 227 I HA 0.226 4.396 4.170 0.000 0.000 0.291 227 I C -0.025 176.090 176.117 -0.002 0.000 0.992 227 I CA -0.733 60.546 61.300 -0.036 0.000 1.154 227 I CB 2.129 40.084 38.000 -0.074 0.000 1.315 227 I HN 0.698 nan 8.210 nan 0.000 0.448 228 T N 4.505 119.067 114.554 0.014 0.000 2.952 228 T HA 0.411 4.761 4.350 0.000 0.000 0.286 228 T C 0.434 175.141 174.700 0.012 0.000 1.024 228 T CA -0.459 61.656 62.100 0.025 0.000 1.029 228 T CB 1.172 70.073 68.868 0.055 0.000 1.094 228 T HN 0.639 nan 8.240 nan 0.000 0.515 229 K N 2.512 122.916 120.400 0.006 0.000 2.469 229 K HA 0.328 4.648 4.320 0.000 0.000 0.204 229 K C 1.516 178.105 176.600 -0.018 0.000 1.047 229 K CA -0.128 56.151 56.287 -0.013 0.000 1.072 229 K CB 0.252 32.741 32.500 -0.017 0.000 0.863 229 K HN 0.558 nan 8.250 nan 0.000 0.530 230 I N 1.396 121.969 120.570 0.005 0.000 2.800 230 I HA -0.223 3.947 4.170 0.000 0.000 0.266 230 I C 1.215 177.331 176.117 -0.002 0.000 1.249 230 I CA 1.209 62.515 61.300 0.010 0.000 1.458 230 I CB 0.147 38.167 38.000 0.034 0.000 1.093 230 I HN 0.266 nan 8.210 nan 0.000 0.466 231 N N 0.818 119.506 118.700 -0.021 0.000 2.187 231 N HA -0.066 4.674 4.740 0.000 0.000 0.212 231 N C 1.468 176.833 175.510 -0.243 0.000 1.152 231 N CA 0.217 53.236 53.050 -0.052 0.000 0.872 231 N CB 0.310 38.826 38.487 0.049 0.000 1.025 231 N HN 0.568 nan 8.380 nan 0.000 0.514 232 E N 0.589 120.658 120.200 -0.218 0.000 2.130 232 E HA -0.186 4.164 4.350 0.000 0.000 0.196 232 E C 1.075 177.410 176.600 -0.442 0.000 0.998 232 E CA 1.053 57.263 56.400 -0.316 0.000 0.806 232 E CB -0.177 29.432 29.700 -0.152 0.000 0.738 232 E HN 0.156 nan 8.360 nan 0.000 0.459 233 R N -0.642 119.706 120.500 -0.253 0.000 2.391 233 R HA 0.108 4.448 4.340 0.000 0.000 0.249 233 R C -0.467 175.835 176.300 0.003 0.000 0.957 233 R CA 0.066 56.098 56.100 -0.114 0.000 1.093 233 R CB -0.198 30.093 30.300 -0.014 0.000 1.156 233 R HN 0.258 nan 8.270 nan 0.000 0.526 234 Y N -1.237 119.095 120.300 0.053 0.000 4.079 234 Y HA -0.359 4.191 4.550 0.000 0.000 0.223 234 Y C 0.924 176.855 175.900 0.052 0.000 1.155 234 Y CA 0.661 58.798 58.100 0.063 0.000 1.805 234 Y CB -1.911 36.587 38.460 0.065 0.000 1.571 234 Y HN 0.340 nan 8.280 nan 0.000 0.654 235 E N -0.304 119.961 120.200 0.108 0.000 2.158 235 E HA -0.116 4.234 4.350 0.000 0.000 0.191 235 E C 1.998 178.637 176.600 0.066 0.000 0.982 235 E CA 0.960 57.409 56.400 0.081 0.000 0.823 235 E CB -0.057 29.672 29.700 0.049 0.000 0.766 235 E HN 0.459 nan 8.360 nan 0.000 0.468 236 L N 0.087 121.346 121.223 0.060 0.000 2.005 236 L HA -0.014 4.326 4.340 0.000 0.000 0.207 236 L C 0.626 177.513 176.870 0.029 0.000 1.072 236 L CA 1.349 56.215 54.840 0.044 0.000 0.744 236 L CB 0.351 42.443 42.059 0.055 0.000 0.895 236 L HN 0.158 nan 8.230 nan 0.000 0.433 237 C N 0.612 119.951 119.300 0.065 0.000 2.789 237 C HA 0.335 4.795 4.460 0.000 0.000 0.367 237 C C 0.698 175.789 174.990 0.168 0.000 1.062 237 C CA -0.527 58.506 59.018 0.025 0.000 1.297 237 C CB -0.146 27.478 27.740 -0.192 0.000 1.794 237 C HN 0.669 nan 8.230 nan 0.000 0.474 238 D N 2.648 123.142 120.400 0.157 0.000 2.378 238 D HA -0.066 4.574 4.640 0.000 0.000 0.227 238 D C 1.276 177.675 176.300 0.164 0.000 1.012 238 D CA 1.289 55.402 54.000 0.188 0.000 0.905 238 D CB -0.169 40.701 40.800 0.116 0.000 0.895 238 D HN 0.681 nan 8.370 nan 0.000 0.532 239 T N -4.396 110.293 114.554 0.225 0.000 3.129 239 T HA 0.168 4.518 4.350 0.000 0.000 0.267 239 T C -0.091 174.893 174.700 0.474 0.000 1.018 239 T CA -0.631 61.652 62.100 0.304 0.000 0.903 239 T CB -0.276 68.851 68.868 0.431 0.000 1.067 239 T HN -0.104 nan 8.240 nan 0.000 0.549 240 Y N 2.293 122.709 120.300 0.194 0.000 2.602 240 Y HA 0.622 5.172 4.550 0.000 0.000 0.330 240 Y C -2.407 173.565 175.900 0.119 0.000 1.114 240 Y CA -3.098 55.072 58.100 0.116 0.000 1.182 240 Y CB 1.629 40.162 38.460 0.120 0.000 1.305 240 Y HN -0.038 nan 8.280 nan 0.000 0.502 241 P HA 0.156 nan 4.420 nan 0.000 0.276 241 P C -0.331 177.047 177.300 0.129 0.000 1.252 241 P CA 0.102 63.242 63.100 0.067 0.000 0.802 241 P CB 1.175 32.763 31.700 -0.186 0.000 1.035 242 A N 2.000 124.881 122.820 0.101 0.000 1.933 242 A HA -0.050 4.270 4.320 0.000 0.000 0.218 242 A C 1.332 178.879 177.584 -0.061 0.000 1.175 242 A CA 1.240 53.187 52.037 -0.150 0.000 0.628 242 A CB -0.895 17.999 19.000 -0.177 0.000 0.814 242 A HN 0.504 nan 8.150 nan 0.000 0.444 243 L N 0.441 121.673 121.223 0.016 0.000 2.295 243 L HA 0.527 4.867 4.340 0.000 0.000 0.285 243 L C -0.923 175.974 176.870 0.045 0.000 1.035 243 L CA -0.362 54.499 54.840 0.035 0.000 0.806 243 L CB 1.501 43.612 42.059 0.086 0.000 1.214 243 L HN 0.225 nan 8.230 nan 0.000 0.426 244 L N 3.642 124.877 121.223 0.019 0.000 2.381 244 L HA 0.589 4.930 4.340 0.000 0.000 0.268 244 L C -0.729 176.134 176.870 -0.012 0.000 0.997 244 L CA -0.903 53.965 54.840 0.047 0.000 0.818 244 L CB 2.608 44.753 42.059 0.143 0.000 1.310 244 L HN 0.206 nan 8.230 nan 0.000 0.416 245 V N 3.363 123.264 119.914 -0.021 0.000 2.370 245 V HA 0.554 4.675 4.120 0.000 0.000 0.283 245 V C 0.023 176.299 176.094 0.304 0.000 1.023 245 V CA -0.503 61.798 62.300 0.001 0.000 0.857 245 V CB 1.740 33.427 31.823 -0.227 0.000 0.985 245 V HN 0.548 nan 8.190 nan 0.000 0.443 246 V N 3.447 123.589 119.914 0.380 0.000 3.158 246 V HA 0.759 4.880 4.120 0.000 0.000 0.311 246 V C -2.927 173.279 176.094 0.186 0.000 1.181 246 V CA -3.235 59.338 62.300 0.455 0.000 1.054 246 V CB 2.111 34.148 31.823 0.357 0.000 1.085 246 V HN 0.581 nan 8.190 nan 0.000 0.446 247 P HA 0.175 nan 4.420 nan 0.000 0.261 247 P C 0.795 177.867 177.300 -0.379 0.000 1.183 247 P CA 0.862 63.496 63.100 -0.776 0.000 0.761 247 P CB 0.836 32.058 31.700 -0.798 0.000 0.785 248 A N 4.492 127.090 122.820 -0.370 0.000 2.093 248 A HA -0.231 4.089 4.320 0.000 0.000 0.222 248 A C 1.515 179.012 177.584 -0.145 0.000 1.162 248 A CA 2.035 53.963 52.037 -0.181 0.000 0.655 248 A CB -0.964 17.941 19.000 -0.160 0.000 0.805 248 A HN 0.700 nan 8.150 nan 0.000 0.461 249 N N -0.803 117.785 118.700 -0.187 0.000 2.214 249 N HA 0.110 4.850 4.740 0.000 0.000 0.214 249 N C -0.396 175.054 175.510 -0.101 0.000 1.132 249 N CA -0.168 52.806 53.050 -0.128 0.000 0.856 249 N CB 0.085 38.495 38.487 -0.128 0.000 1.020 249 N HN 0.249 nan 8.380 nan 0.000 0.509 250 I N 3.107 123.617 120.570 -0.100 0.000 2.312 250 I HA 0.367 4.537 4.170 0.000 0.000 0.290 250 I C -2.154 173.975 176.117 0.022 0.000 1.008 250 I CA -2.507 58.775 61.300 -0.029 0.000 1.226 250 I CB 1.048 39.046 38.000 -0.004 0.000 1.371 250 I HN -0.072 nan 8.210 nan 0.000 0.468 251 P HA 0.136 nan 4.420 nan 0.000 0.274 251 P C 0.145 177.476 177.300 0.052 0.000 1.231 251 P CA -0.217 62.900 63.100 0.029 0.000 0.790 251 P CB 1.511 33.221 31.700 0.016 0.000 0.951 252 D N 0.950 121.376 120.400 0.044 0.000 2.158 252 D HA -0.175 4.466 4.640 0.000 0.000 0.197 252 D C 1.615 177.942 176.300 0.045 0.000 0.995 252 D CA 1.428 55.458 54.000 0.049 0.000 0.846 252 D CB -0.012 40.809 40.800 0.035 0.000 0.941 252 D HN 0.493 nan 8.370 nan 0.000 0.456 253 E N 0.487 120.707 120.200 0.035 0.000 2.208 253 E HA -0.125 4.225 4.350 0.000 0.000 0.193 253 E C 1.921 178.541 176.600 0.033 0.000 0.988 253 E CA 0.315 56.733 56.400 0.029 0.000 0.828 253 E CB 0.100 29.812 29.700 0.019 0.000 0.763 253 E HN 0.428 nan 8.360 nan 0.000 0.478 254 E N 0.494 120.721 120.200 0.044 0.000 2.047 254 E HA -0.124 4.226 4.350 0.000 0.000 0.191 254 E C 2.284 178.928 176.600 0.073 0.000 0.987 254 E CA 0.574 57.009 56.400 0.058 0.000 0.799 254 E CB 0.056 29.801 29.700 0.074 0.000 0.752 254 E HN 0.152 nan 8.360 nan 0.000 0.449 255 L N 0.747 122.025 121.223 0.093 0.000 2.012 255 L HA -0.233 4.107 4.340 0.000 0.000 0.210 255 L C 2.480 179.372 176.870 0.036 0.000 1.073 255 L CA 1.341 56.229 54.840 0.080 0.000 0.748 255 L CB -0.508 41.617 42.059 0.109 0.000 0.891 255 L HN 0.084 nan 8.230 nan 0.000 0.431 256 K N -0.195 120.228 120.400 0.039 0.000 2.293 256 K HA -0.220 4.100 4.320 0.000 0.000 0.204 256 K C 2.200 178.812 176.600 0.020 0.000 1.045 256 K CA 1.375 57.678 56.287 0.026 0.000 0.933 256 K CB -0.102 32.414 32.500 0.026 0.000 0.736 256 K HN 0.397 nan 8.250 nan 0.000 0.463 257 R N -0.269 120.245 120.500 0.023 0.000 2.087 257 R HA 0.022 4.362 4.340 0.000 0.000 0.216 257 R C 2.279 178.597 176.300 0.030 0.000 1.114 257 R CA 0.478 56.592 56.100 0.023 0.000 1.002 257 R CB -0.191 30.119 30.300 0.017 0.000 0.903 257 R HN -0.059 nan 8.270 nan 0.000 0.445 258 V N 1.760 121.682 119.914 0.013 0.000 2.453 258 V HA -0.266 3.854 4.120 0.000 0.000 0.252 258 V C 2.421 178.523 176.094 0.013 0.000 1.068 258 V CA 2.007 64.311 62.300 0.006 0.000 1.070 258 V CB -0.704 31.030 31.823 -0.147 0.000 0.664 258 V HN 0.393 nan 8.190 nan 0.000 0.461 259 A N -0.543 122.266 122.820 -0.018 0.000 2.024 259 A HA -0.192 4.129 4.320 0.000 0.000 0.220 259 A C 2.414 179.992 177.584 -0.010 0.000 1.164 259 A CA 2.113 54.128 52.037 -0.036 0.000 0.643 259 A CB -0.465 18.516 19.000 -0.031 0.000 0.806 259 A HN 0.541 nan 8.150 nan 0.000 0.451 260 S N -1.795 113.926 115.700 0.035 0.000 2.470 260 S HA 0.045 4.515 4.470 0.000 0.000 0.225 260 S C 1.421 176.087 174.600 0.110 0.000 1.006 260 S CA 0.769 59.001 58.200 0.054 0.000 0.934 260 S CB -0.285 62.950 63.200 0.058 0.000 0.778 260 S HN 0.636 nan 8.310 nan 0.000 0.517 261 F N 2.304 122.224 119.950 -0.049 0.000 2.530 261 F HA 0.304 4.831 4.527 0.000 0.000 0.292 261 F C 0.780 176.539 175.800 -0.067 0.000 1.109 261 F CA 0.157 58.131 58.000 -0.044 0.000 1.450 261 F CB 0.193 39.178 39.000 -0.025 0.000 1.114 261 F HN -0.136 nan 8.300 nan 0.000 0.560 262 R N 0.862 121.302 120.500 -0.101 0.000 2.410 262 R HA 0.157 4.497 4.340 0.000 0.000 0.288 262 R C 0.223 176.394 176.300 -0.215 0.000 1.051 262 R CA -0.301 55.666 56.100 -0.221 0.000 1.021 262 R CB 0.956 31.160 30.300 -0.160 0.000 1.032 262 R HN 0.016 nan 8.270 nan 0.000 0.481 263 S N 1.655 117.206 115.700 -0.250 0.000 2.546 263 S HA -0.009 4.461 4.470 0.000 0.000 0.290 263 S C 0.469 174.943 174.600 -0.211 0.000 1.290 263 S CA 0.142 58.213 58.200 -0.215 0.000 1.069 263 S CB 0.077 63.141 63.200 -0.227 0.000 0.846 263 S HN 0.612 nan 8.310 nan 0.000 0.495 264 R N 2.640 123.048 120.500 -0.154 0.000 3.863 264 R HA -0.208 4.132 4.340 0.000 0.000 0.313 264 R C 1.055 177.266 176.300 -0.148 0.000 1.202 264 R CA 0.689 56.716 56.100 -0.121 0.000 0.852 264 R CB -2.342 27.873 30.300 -0.142 0.000 1.292 264 R HN 1.311 nan 8.270 nan 0.000 0.519 265 G N 0.554 109.259 108.800 -0.159 0.000 2.225 265 G HA2 -0.389 3.571 3.960 0.000 0.000 0.267 265 G HA3 -0.389 3.571 3.960 0.000 0.000 0.267 265 G C 0.067 174.768 174.900 -0.332 0.000 1.024 265 G CA 0.645 45.640 45.100 -0.176 0.000 0.784 265 G HN 0.453 nan 8.290 nan 0.000 0.507 266 R N 0.539 120.801 120.500 -0.397 0.000 2.870 266 R HA 0.417 4.757 4.340 0.000 0.000 0.254 266 R C 1.548 177.684 176.300 -0.274 0.000 1.392 266 R CA -0.291 55.406 56.100 -0.672 0.000 1.322 266 R CB 0.033 30.075 30.300 -0.429 0.000 1.205 266 R HN 0.688 nan 8.270 nan 0.000 0.597 267 I N -1.051 119.408 120.570 -0.186 0.000 3.004 267 I HA 0.345 4.515 4.170 0.000 0.000 0.287 267 I C -2.177 174.039 176.117 0.166 0.000 1.144 267 I CA -2.745 58.534 61.300 -0.034 0.000 1.353 267 I CB 0.284 38.222 38.000 -0.104 0.000 1.417 267 I HN 0.126 nan 8.210 nan 0.000 0.602 268 P HA 0.158 nan 4.420 nan 0.000 0.271 268 P C -0.589 176.947 177.300 0.394 0.000 1.233 268 P CA -0.059 63.181 63.100 0.233 0.000 0.764 268 P CB 0.876 32.742 31.700 0.277 0.000 0.825 269 V N 1.837 121.980 119.914 0.383 0.000 3.141 269 V HA 0.556 4.676 4.120 0.000 0.000 0.312 269 V C -0.518 175.727 176.094 0.252 0.000 1.157 269 V CA -1.505 61.029 62.300 0.391 0.000 1.041 269 V CB 1.830 33.878 31.823 0.376 0.000 1.071 269 V HN 0.207 nan 8.190 nan 0.000 0.441 270 L N 1.749 123.071 121.223 0.164 0.000 2.380 270 L HA 0.540 4.880 4.340 0.000 0.000 0.273 270 L C 0.970 177.913 176.870 0.122 0.000 1.138 270 L CA 1.224 56.041 54.840 -0.039 0.000 0.832 270 L CB 1.417 43.258 42.059 -0.363 0.000 1.124 270 L HN 0.892 nan 8.230 nan 0.000 0.454 271 S N 2.841 118.582 115.700 0.069 0.000 2.641 271 S HA 0.227 4.697 4.470 0.000 0.000 0.239 271 S C -0.768 173.994 174.600 0.270 0.000 1.081 271 S CA -0.025 58.243 58.200 0.112 0.000 0.904 271 S CB 0.192 63.366 63.200 -0.044 0.000 0.803 271 S HN 0.685 nan 8.310 nan 0.000 0.510 272 W N 0.299 121.589 121.300 -0.017 0.000 3.213 272 W HA 0.678 5.338 4.660 0.000 0.000 0.318 272 W C -2.172 174.316 176.519 -0.052 0.000 1.248 272 W CA -0.734 56.622 57.345 0.019 0.000 1.187 272 W CB 1.046 30.553 29.460 0.079 0.000 1.403 272 W HN -0.006 nan 8.180 nan 0.000 0.556 273 I N 3.703 123.825 120.570 -0.747 0.000 2.619 273 I HA 0.294 4.464 4.170 0.000 0.000 0.292 273 I C -0.915 174.464 176.117 -1.229 0.000 1.100 273 I CA -0.998 59.903 61.300 -0.665 0.000 1.043 273 I CB 1.633 39.332 38.000 -0.501 0.000 1.239 273 I HN 0.584 nan 8.210 nan 0.000 0.420 274 H N 8.918 127.582 119.070 -0.678 0.000 2.929 274 H HA 0.218 4.774 4.556 0.000 0.000 0.317 274 H C -1.761 173.339 175.328 -0.379 0.000 1.031 274 H CA -0.804 54.945 56.048 -0.498 0.000 1.466 274 H CB 1.079 30.844 29.762 0.005 0.000 1.482 274 H HN 0.313 nan 8.280 nan 0.000 0.561 275 P HA -0.206 nan 4.420 nan 0.000 0.218 275 P C 0.978 178.174 177.300 -0.173 0.000 1.148 275 P CA 1.454 64.313 63.100 -0.403 0.000 0.822 275 P CB 0.444 31.931 31.700 -0.355 0.000 0.784 276 E N 0.134 120.313 120.200 -0.036 0.000 2.057 276 E HA -0.063 4.288 4.350 0.000 0.000 0.190 276 E C 2.061 178.809 176.600 0.247 0.000 0.969 276 E CA 1.180 57.702 56.400 0.203 0.000 0.812 276 E CB 0.049 29.913 29.700 0.274 0.000 0.777 276 E HN 0.216 nan 8.360 nan 0.000 0.455 277 S N -0.683 115.262 115.700 0.409 0.000 2.486 277 S HA 0.016 4.486 4.470 0.000 0.000 0.220 277 S C 0.636 175.321 174.600 0.142 0.000 1.011 277 S CA 0.414 58.709 58.200 0.159 0.000 0.921 277 S CB 0.360 63.555 63.200 -0.009 0.000 0.785 277 S HN 0.238 nan 8.310 nan 0.000 0.517 278 Q N -0.023 119.878 119.800 0.167 0.000 2.503 278 Q HA -0.081 4.259 4.340 0.000 0.000 0.267 278 Q C 0.046 176.149 176.000 0.171 0.000 1.030 278 Q CA 0.813 56.694 55.803 0.130 0.000 1.041 278 Q CB -2.451 26.367 28.738 0.133 0.000 1.406 278 Q HN 0.865 nan 8.270 nan 0.000 0.524 279 A N 0.159 123.083 122.820 0.174 0.000 2.388 279 A HA 0.664 4.984 4.320 0.000 0.000 0.257 279 A C 0.658 178.364 177.584 0.203 0.000 1.095 279 A CA 0.601 52.754 52.037 0.194 0.000 0.791 279 A CB 0.481 19.580 19.000 0.165 0.000 1.029 279 A HN 0.453 nan 8.150 nan 0.000 0.489 280 T N -0.586 114.097 114.554 0.214 0.000 2.924 280 T HA 0.712 5.063 4.350 0.000 0.000 0.291 280 T C -0.458 174.365 174.700 0.205 0.000 1.045 280 T CA -0.515 61.675 62.100 0.150 0.000 1.015 280 T CB 1.083 69.976 68.868 0.041 0.000 1.103 280 T HN 0.395 nan 8.240 nan 0.000 0.496 281 I N 2.828 123.514 120.570 0.192 0.000 2.354 281 I HA 0.379 4.549 4.170 0.000 0.000 0.286 281 I C 0.514 176.689 176.117 0.096 0.000 1.007 281 I CA -0.661 60.740 61.300 0.169 0.000 1.167 281 I CB 1.581 39.688 38.000 0.178 0.000 1.320 281 I HN 0.919 nan 8.210 nan 0.000 0.458 282 T N 3.461 118.090 114.554 0.124 0.000 2.950 282 T HA 0.810 5.161 4.350 0.000 0.000 0.288 282 T C -0.324 174.435 174.700 0.097 0.000 1.035 282 T CA -0.992 61.184 62.100 0.127 0.000 1.028 282 T CB 1.984 71.002 68.868 0.250 0.000 1.109 282 T HN 0.716 nan 8.240 nan 0.000 0.514 283 R N -0.733 119.811 120.500 0.072 0.000 2.771 283 R HA 0.875 5.215 4.340 0.000 0.000 0.274 283 R C -0.818 175.568 176.300 0.143 0.000 0.987 283 R CA -1.062 55.059 56.100 0.036 0.000 0.908 283 R CB 1.131 31.327 30.300 -0.173 0.000 1.213 283 R HN 1.110 nan 8.270 nan 0.000 0.468 284 C N -1.105 118.282 119.300 0.145 0.000 3.266 284 C HA 0.768 5.228 4.460 0.000 0.000 0.369 284 C C -0.239 174.786 174.990 0.059 0.000 1.580 284 C CA -0.417 58.690 59.018 0.148 0.000 1.165 284 C CB 1.178 28.964 27.740 0.077 0.000 1.835 284 C HN 1.107 nan 8.230 nan 0.000 0.433 285 S N 0.301 115.963 115.700 -0.063 0.000 2.767 285 S HA 0.648 5.118 4.470 0.000 0.000 0.300 285 S C -0.506 173.943 174.600 -0.252 0.000 1.123 285 S CA -0.426 57.683 58.200 -0.151 0.000 0.992 285 S CB 0.752 63.807 63.200 -0.243 0.000 1.138 285 S HN 1.230 nan 8.310 nan 0.000 0.550 286 Q N 0.330 119.989 119.800 -0.236 0.000 2.454 286 Q HA 0.381 4.721 4.340 0.000 0.000 0.247 286 Q C -2.501 173.262 176.000 -0.395 0.000 1.028 286 Q CA -1.594 54.016 55.803 -0.321 0.000 0.910 286 Q CB -0.402 28.265 28.738 -0.118 0.000 1.276 286 Q HN 0.404 nan 8.270 nan 0.000 0.489 287 P HA 0.095 nan 4.420 nan 0.000 0.286 287 P C -0.575 176.274 177.300 -0.752 0.000 1.269 287 P CA -0.339 62.340 63.100 -0.703 0.000 0.787 287 P CB 0.730 32.152 31.700 -0.464 0.000 0.920 288 M N 4.121 123.088 119.600 -1.054 0.000 3.442 288 M HA 0.036 4.516 4.480 0.000 0.000 0.232 288 M C 1.091 177.136 176.300 -0.426 0.000 1.508 288 M CA -0.259 54.692 55.300 -0.581 0.000 1.647 288 M CB -0.867 31.506 32.600 -0.378 0.000 1.126 288 M HN 0.134 nan 8.290 nan 0.000 0.557 289 V N 0.663 120.422 119.914 -0.259 0.000 2.446 289 V HA 0.178 4.299 4.120 0.000 0.000 0.244 289 V C 1.469 177.569 176.094 0.011 0.000 1.039 289 V CA 1.341 63.643 62.300 0.003 0.000 1.045 289 V CB -0.868 30.941 31.823 -0.024 0.000 0.681 289 V HN 0.959 nan 8.190 nan 0.000 0.459 290 G N -0.270 108.510 108.800 -0.033 0.000 2.888 290 G HA2 -0.201 3.760 3.960 0.000 0.000 0.441 290 G HA3 -0.201 3.760 3.960 0.000 0.000 0.441 290 G C 0.469 175.368 174.900 -0.001 0.000 1.461 290 G CA -0.278 44.816 45.100 -0.011 0.000 0.897 290 G HN 0.259 nan 8.290 nan 0.000 0.547 291 V N 0.380 120.297 119.914 0.006 0.000 2.439 291 V HA -0.126 3.994 4.120 0.000 0.000 0.253 291 V C 1.811 177.911 176.094 0.011 0.000 1.074 291 V CA 2.627 64.934 62.300 0.011 0.000 1.076 291 V CB -0.512 31.319 31.823 0.012 0.000 0.664 291 V HN 0.821 nan 8.190 nan 0.000 0.461 292 S N -0.142 115.566 115.700 0.013 0.000 2.433 292 S HA 0.514 4.984 4.470 0.000 0.000 0.310 292 S C 0.781 175.393 174.600 0.021 0.000 1.097 292 S CA -0.211 57.997 58.200 0.015 0.000 1.103 292 S CB 1.394 64.603 63.200 0.015 0.000 0.992 292 S HN 0.525 nan 8.310 nan 0.000 0.469 293 G N 3.830 112.638 108.800 0.014 0.000 2.529 293 G HA2 -0.048 3.912 3.960 0.000 0.000 0.285 293 G HA3 -0.048 3.912 3.960 0.000 0.000 0.285 293 G C 0.031 174.954 174.900 0.038 0.000 0.632 293 G CA 0.204 45.315 45.100 0.018 0.000 2.116 293 G HN 0.557 nan 8.290 nan 0.000 0.538 294 K N 1.181 121.633 120.400 0.086 0.000 2.270 294 K HA 0.396 4.716 4.320 0.000 0.000 0.276 294 K C 0.601 177.277 176.600 0.127 0.000 1.023 294 K CA 0.061 56.416 56.287 0.113 0.000 0.955 294 K CB 1.135 33.743 32.500 0.181 0.000 0.975 294 K HN 0.388 nan 8.250 nan 0.000 0.471 295 R N 0.416 120.867 120.500 -0.082 0.000 2.854 295 R HA 0.353 4.693 4.340 0.000 0.000 0.271 295 R C -0.942 174.984 176.300 -0.624 0.000 0.994 295 R CA -0.818 55.086 56.100 -0.327 0.000 0.945 295 R CB 2.168 32.331 30.300 -0.228 0.000 1.194 295 R HN 0.442 nan 8.270 nan 0.000 0.476 296 S N 0.968 116.143 115.700 -0.875 0.000 2.707 296 S HA 0.100 4.570 4.470 0.000 0.000 0.312 296 S C 0.603 174.968 174.600 -0.392 0.000 1.116 296 S CA -0.673 57.107 58.200 -0.699 0.000 1.078 296 S CB 1.067 63.644 63.200 -1.040 0.000 0.997 296 S HN 0.673 nan 8.310 nan 0.000 0.477 297 K N 3.986 124.232 120.400 -0.256 0.000 2.063 297 K HA -0.141 4.180 4.320 0.000 0.000 0.208 297 K C 1.458 177.987 176.600 -0.118 0.000 1.048 297 K CA 2.164 58.346 56.287 -0.175 0.000 0.928 297 K CB -0.236 32.189 32.500 -0.126 0.000 0.713 297 K HN 0.836 nan 8.250 nan 0.000 0.442 298 E N 0.684 120.831 120.200 -0.089 0.000 2.077 298 E HA -0.215 4.136 4.350 0.000 0.000 0.193 298 E C 1.821 178.456 176.600 0.059 0.000 0.989 298 E CA 1.705 58.100 56.400 -0.008 0.000 0.800 298 E CB -0.793 28.910 29.700 0.004 0.000 0.746 298 E HN 0.466 nan 8.360 nan 0.000 0.452 299 D N 1.160 121.567 120.400 0.010 0.000 2.117 299 D HA -0.144 4.496 4.640 0.000 0.000 0.198 299 D C 1.900 178.343 176.300 0.238 0.000 0.982 299 D CA 1.474 55.568 54.000 0.156 0.000 0.828 299 D CB 0.130 41.067 40.800 0.228 0.000 0.967 299 D HN 0.278 nan 8.370 nan 0.000 0.464 300 E N 0.146 120.355 120.200 0.015 0.000 2.077 300 E HA -0.216 4.134 4.350 0.000 0.000 0.193 300 E C 2.001 178.624 176.600 0.039 0.000 0.989 300 E CA 0.795 57.140 56.400 -0.091 0.000 0.800 300 E CB -0.070 29.410 29.700 -0.366 0.000 0.746 300 E HN 0.237 nan 8.360 nan 0.000 0.452 301 K N 0.254 120.671 120.400 0.029 0.000 2.097 301 K HA -0.210 4.110 4.320 0.000 0.000 0.206 301 K C 2.069 178.715 176.600 0.077 0.000 1.049 301 K CA 1.094 57.400 56.287 0.030 0.000 0.933 301 K CB -0.169 32.338 32.500 0.012 0.000 0.717 301 K HN 0.104 nan 8.250 nan 0.000 0.442 302 Y N 1.021 121.345 120.300 0.039 0.000 2.070 302 Y HA -0.269 4.281 4.550 0.000 0.000 0.280 302 Y C 1.853 177.808 175.900 0.091 0.000 1.148 302 Y CA 1.639 59.777 58.100 0.063 0.000 1.125 302 Y CB -0.235 38.286 38.460 0.102 0.000 0.975 302 Y HN 0.019 nan 8.280 nan 0.000 0.492 303 L N 0.214 121.652 121.223 0.359 0.000 2.131 303 L HA -0.228 4.112 4.340 0.000 0.000 0.210 303 L C 2.451 179.407 176.870 0.144 0.000 1.092 303 L CA 1.863 56.875 54.840 0.287 0.000 0.759 303 L CB -1.098 41.180 42.059 0.364 0.000 0.903 303 L HN 0.310 nan 8.230 nan 0.000 0.435 304 Q N -0.459 119.400 119.800 0.098 0.000 2.084 304 Q HA -0.130 4.210 4.340 0.000 0.000 0.202 304 Q C 2.268 178.251 176.000 -0.029 0.000 0.978 304 Q CA 1.888 57.712 55.803 0.035 0.000 0.844 304 Q CB -0.316 28.427 28.738 0.010 0.000 0.898 304 Q HN 0.441 nan 8.270 nan 0.000 0.426 305 A N 0.259 123.019 122.820 -0.100 0.000 1.940 305 A HA -0.166 4.155 4.320 0.000 0.000 0.219 305 A C 2.104 179.539 177.584 -0.249 0.000 1.176 305 A CA 1.571 53.480 52.037 -0.214 0.000 0.631 305 A CB -0.799 17.997 19.000 -0.340 0.000 0.814 305 A HN 0.505 nan 8.150 nan 0.000 0.446 306 I N -1.114 119.352 120.570 -0.172 0.000 2.226 306 I HA -0.279 3.892 4.170 0.000 0.000 0.245 306 I C 2.714 178.873 176.117 0.070 0.000 1.100 306 I CA 1.832 63.116 61.300 -0.027 0.000 1.374 306 I CB -0.301 37.810 38.000 0.186 0.000 1.057 306 I HN 0.479 nan 8.210 nan 0.000 0.413 307 M N 0.744 120.383 119.600 0.065 0.000 2.132 307 M HA -0.205 4.275 4.480 0.000 0.000 0.263 307 M C 1.303 177.632 176.300 0.048 0.000 1.065 307 M CA 1.863 57.215 55.300 0.087 0.000 1.122 307 M CB -0.182 32.467 32.600 0.082 0.000 1.365 307 M HN 0.111 nan 8.290 nan 0.000 0.411 308 D N 0.038 120.433 120.400 -0.010 0.000 2.403 308 D HA -0.086 4.554 4.640 0.000 0.000 0.227 308 D C 1.639 177.912 176.300 -0.045 0.000 0.995 308 D CA 0.660 54.640 54.000 -0.033 0.000 0.928 308 D CB -0.050 40.709 40.800 -0.068 0.000 0.887 308 D HN 0.299 nan 8.370 nan 0.000 0.529 309 S N -0.328 115.351 115.700 -0.035 0.000 2.524 309 S HA -0.015 4.455 4.470 0.000 0.000 0.216 309 S C 0.696 175.355 174.600 0.097 0.000 0.987 309 S CA -0.385 57.804 58.200 -0.018 0.000 0.909 309 S CB 0.174 63.334 63.200 -0.067 0.000 0.781 309 S HN 0.173 nan 8.310 nan 0.000 0.521 310 N N 1.698 120.464 118.700 0.110 0.000 2.420 310 N HA 0.257 4.998 4.740 0.000 0.000 0.249 310 N C 0.887 176.442 175.510 0.076 0.000 1.033 310 N CA 0.150 53.275 53.050 0.124 0.000 0.944 310 N CB 1.385 39.965 38.487 0.155 0.000 1.113 310 N HN 0.177 nan 8.380 nan 0.000 0.502 311 A N 3.789 126.648 122.820 0.066 0.000 2.054 311 A HA -0.201 4.120 4.320 0.000 0.000 0.223 311 A C 0.985 178.584 177.584 0.024 0.000 1.169 311 A CA 1.541 53.601 52.037 0.039 0.000 0.655 311 A CB -0.048 18.976 19.000 0.041 0.000 0.812 311 A HN 0.719 nan 8.150 nan 0.000 0.462 312 Q N 0.470 120.290 119.800 0.034 0.000 2.842 312 Q HA 0.315 4.656 4.340 0.000 0.000 0.323 312 Q C -0.440 175.556 176.000 -0.006 0.000 1.111 312 Q CA -0.029 55.766 55.803 -0.012 0.000 1.047 312 Q CB 0.542 29.263 28.738 -0.029 0.000 1.280 312 Q HN 0.366 nan 8.270 nan 0.000 0.475 313 S N 1.860 117.569 115.700 0.015 0.000 3.007 313 S HA -0.081 4.389 4.470 0.000 0.000 0.312 313 S C 0.780 175.414 174.600 0.057 0.000 1.068 313 S CA 0.002 58.233 58.200 0.051 0.000 1.597 313 S CB -0.260 62.961 63.200 0.036 0.000 1.495 313 S HN 0.499 nan 8.310 nan 0.000 0.612 314 H N 1.988 121.097 119.070 0.065 0.000 2.260 314 H HA 0.195 4.751 4.556 0.000 0.000 0.304 314 H C 1.207 176.575 175.328 0.065 0.000 1.059 314 H CA 1.366 57.458 56.048 0.073 0.000 1.305 314 H CB 0.213 30.037 29.762 0.103 0.000 1.388 314 H HN 0.514 nan 8.280 nan 0.000 0.496 315 K N -1.566 118.967 120.400 0.223 0.000 4.520 315 K HA 0.268 4.589 4.320 0.000 0.000 0.580 315 K C -1.966 174.715 176.600 0.135 0.000 0.983 315 K CA -0.298 56.067 56.287 0.129 0.000 0.898 315 K CB 0.156 32.713 32.500 0.096 0.000 1.717 315 K HN 0.066 nan 8.250 nan 0.000 0.761 316 I N 0.714 121.333 120.570 0.081 0.000 2.892 316 I HA 0.608 4.778 4.170 0.000 0.000 0.306 316 I C -1.257 174.870 176.117 0.016 0.000 1.078 316 I CA -0.993 60.371 61.300 0.107 0.000 1.032 316 I CB 1.340 39.414 38.000 0.125 0.000 1.229 316 I HN 0.489 nan 8.210 nan 0.000 0.435 317 F N 6.046 126.002 119.950 0.009 0.000 2.493 317 F HA 0.537 5.065 4.527 0.000 0.000 0.329 317 F C -0.394 175.314 175.800 -0.153 0.000 1.126 317 F CA -0.387 57.533 58.000 -0.133 0.000 0.937 317 F CB 1.645 40.575 39.000 -0.117 0.000 1.146 317 F HN 0.083 nan 8.300 nan 0.000 0.442 318 I N 5.080 125.534 120.570 -0.194 0.000 2.354 318 I HA 0.252 4.422 4.170 0.000 0.000 0.286 318 I C -1.076 174.853 176.117 -0.313 0.000 1.007 318 I CA -0.484 60.746 61.300 -0.116 0.000 1.167 318 I CB 0.838 38.785 38.000 -0.088 0.000 1.320 318 I HN 0.376 nan 8.210 nan 0.000 0.458 319 F N 4.465 124.389 119.950 -0.043 0.000 2.350 319 F HA 0.220 4.747 4.527 0.000 0.000 0.365 319 F C 0.619 176.235 175.800 -0.306 0.000 1.122 319 F CA -0.508 57.418 58.000 -0.123 0.000 1.139 319 F CB 0.603 39.570 39.000 -0.055 0.000 1.220 319 F HN 0.391 nan 8.300 nan 0.000 0.499 320 D N 3.199 123.435 120.400 -0.272 0.000 2.347 320 D HA 0.256 4.896 4.640 0.000 0.000 0.235 320 D C 0.947 177.203 176.300 -0.072 0.000 1.149 320 D CA 0.044 53.802 54.000 -0.403 0.000 0.850 320 D CB 1.761 42.395 40.800 -0.275 0.000 1.061 320 D HN 0.637 nan 8.370 nan 0.000 0.487 321 A N 5.259 128.032 122.820 -0.078 0.000 2.076 321 A HA -0.140 4.180 4.320 0.000 0.000 0.220 321 A C 1.279 178.875 177.584 0.019 0.000 1.160 321 A CA 0.825 52.860 52.037 -0.002 0.000 0.653 321 A CB -0.048 18.941 19.000 -0.019 0.000 0.801 321 A HN 0.569 nan 8.150 nan 0.000 0.455 322 R N 0.007 120.531 120.500 0.041 0.000 2.641 322 R HA 0.317 4.657 4.340 0.000 0.000 0.269 322 R C -2.608 173.670 176.300 -0.038 0.000 1.074 322 R CA -1.774 54.327 56.100 0.001 0.000 1.133 322 R CB -0.021 30.288 30.300 0.014 0.000 1.029 322 R HN 0.147 nan 8.270 nan 0.000 0.488 323 P HA 0.005 nan 4.420 nan 0.000 0.274 323 P C 0.180 177.207 177.300 -0.455 0.000 1.256 323 P CA -0.190 62.752 63.100 -0.263 0.000 0.795 323 P CB 0.815 32.332 31.700 -0.305 0.000 1.038 324 S N 0.470 115.804 115.700 -0.609 0.000 2.353 324 S HA -0.140 4.330 4.470 0.000 0.000 0.222 324 S C 1.727 175.954 174.600 -0.622 0.000 1.035 324 S CA 2.066 59.649 58.200 -1.028 0.000 1.025 324 S CB -1.190 61.581 63.200 -0.714 0.000 0.902 324 S HN 0.371 nan 8.310 nan 0.000 0.440 325 V N 0.887 120.600 119.914 -0.335 0.000 2.490 325 V HA -0.084 4.036 4.120 0.000 0.000 0.250 325 V C 1.925 177.936 176.094 -0.139 0.000 1.061 325 V CA 2.065 64.255 62.300 -0.183 0.000 1.064 325 V CB -1.189 30.579 31.823 -0.093 0.000 0.670 325 V HN 0.330 nan 8.190 nan 0.000 0.461 326 N N 1.719 120.328 118.700 -0.152 0.000 2.171 326 N HA 0.041 4.781 4.740 0.000 0.000 0.184 326 N C 1.990 177.463 175.510 -0.062 0.000 1.021 326 N CA 1.945 54.950 53.050 -0.074 0.000 0.854 326 N CB -0.757 37.696 38.487 -0.057 0.000 0.994 326 N HN 0.608 nan 8.380 nan 0.000 0.426 327 A N 0.601 123.333 122.820 -0.147 0.000 1.908 327 A HA -0.099 4.222 4.320 0.000 0.000 0.218 327 A C 2.395 180.033 177.584 0.090 0.000 1.181 327 A CA 1.434 53.461 52.037 -0.016 0.000 0.627 327 A CB -0.788 18.128 19.000 -0.141 0.000 0.818 327 A HN 0.114 nan 8.150 nan 0.000 0.445 328 V N -0.304 119.605 119.914 -0.008 0.000 2.358 328 V HA -0.188 3.932 4.120 0.000 0.000 0.246 328 V C 3.030 179.161 176.094 0.062 0.000 1.047 328 V CA 1.708 64.061 62.300 0.089 0.000 1.035 328 V CB -1.209 30.628 31.823 0.024 0.000 0.658 328 V HN 0.611 nan 8.190 nan 0.000 0.452 329 A N 0.230 123.063 122.820 0.022 0.000 1.940 329 A HA -0.254 4.066 4.320 0.000 0.000 0.219 329 A C 2.124 179.729 177.584 0.035 0.000 1.176 329 A CA 2.073 54.125 52.037 0.024 0.000 0.631 329 A CB -0.682 18.327 19.000 0.015 0.000 0.814 329 A HN 0.608 nan 8.150 nan 0.000 0.446 330 N N -0.535 118.192 118.700 0.045 0.000 2.188 330 N HA -0.148 4.592 4.740 0.000 0.000 0.184 330 N C 1.816 177.349 175.510 0.039 0.000 1.018 330 N CA 1.437 54.513 53.050 0.043 0.000 0.858 330 N CB -0.185 38.334 38.487 0.054 0.000 0.989 330 N HN 0.643 nan 8.380 nan 0.000 0.426 331 K N 1.252 121.692 120.400 0.068 0.000 2.147 331 K HA -0.045 4.275 4.320 0.000 0.000 0.205 331 K C 1.963 178.579 176.600 0.027 0.000 1.049 331 K CA 1.034 57.349 56.287 0.047 0.000 0.936 331 K CB 0.003 32.552 32.500 0.082 0.000 0.722 331 K HN 0.038 nan 8.250 nan 0.000 0.446 332 A N 1.620 124.460 122.820 0.034 0.000 1.902 332 A HA -0.161 4.159 4.320 0.000 0.000 0.217 332 A C 2.045 179.638 177.584 0.015 0.000 1.181 332 A CA 1.389 53.440 52.037 0.024 0.000 0.623 332 A CB -0.384 18.631 19.000 0.024 0.000 0.818 332 A HN 0.154 nan 8.150 nan 0.000 0.443 333 K N -1.676 118.733 120.400 0.014 0.000 2.148 333 K HA -0.035 4.285 4.320 0.000 0.000 0.204 333 K C 1.304 177.902 176.600 -0.002 0.000 1.050 333 K CA 1.245 57.537 56.287 0.008 0.000 0.942 333 K CB -0.056 32.451 32.500 0.012 0.000 0.724 333 K HN 0.713 nan 8.250 nan 0.000 0.446 334 G N -1.501 107.293 108.800 -0.010 0.000 2.935 334 G HA2 -0.110 3.850 3.960 0.000 0.000 0.213 334 G HA3 -0.110 3.850 3.960 0.000 0.000 0.213 334 G C 0.562 175.426 174.900 -0.060 0.000 0.984 334 G CA 0.156 45.240 45.100 -0.027 0.000 0.790 334 G HN 0.540 nan 8.290 nan 0.000 0.538 335 G N -0.385 108.384 108.800 -0.052 0.000 3.137 335 G HA2 0.808 4.768 3.960 0.000 0.000 0.163 335 G HA3 0.808 4.768 3.960 0.000 0.000 0.163 335 G C 0.831 175.691 174.900 -0.066 0.000 1.602 335 G CA 1.029 46.078 45.100 -0.085 0.000 1.067 335 G HN 1.827 nan 8.290 nan 0.000 0.568 336 G N -2.082 106.716 108.800 -0.003 0.000 2.280 336 G HA2 0.480 4.441 3.960 0.000 0.000 0.277 336 G HA3 0.480 4.441 3.960 0.000 0.000 0.277 336 G C -0.986 174.011 174.900 0.161 0.000 1.288 336 G CA 0.067 45.207 45.100 0.066 0.000 1.075 336 G HN 1.774 nan 8.290 nan 0.000 0.480 337 Y N -1.378 118.971 120.300 0.081 0.000 2.644 337 Y HA 0.826 5.377 4.550 0.000 0.000 0.338 337 Y C -0.535 175.401 175.900 0.060 0.000 1.119 337 Y CA -1.344 56.817 58.100 0.102 0.000 1.060 337 Y CB 0.841 39.447 38.460 0.243 0.000 1.294 337 Y HN 0.509 nan 8.280 nan 0.000 0.472 338 E N 1.774 122.008 120.200 0.057 0.000 2.265 338 E HA 0.293 4.643 4.350 0.000 0.000 0.272 338 E C -0.266 176.429 176.600 0.159 0.000 1.067 338 E CA -0.219 56.157 56.400 -0.040 0.000 0.900 338 E CB 0.655 30.032 29.700 -0.538 0.000 1.017 338 E HN 0.681 nan 8.360 nan 0.000 0.431 339 S N 2.203 117.999 115.700 0.160 0.000 2.624 339 S HA 0.040 4.510 4.470 0.000 0.000 0.263 339 S C 0.890 175.599 174.600 0.181 0.000 1.287 339 S CA -0.587 57.704 58.200 0.151 0.000 0.990 339 S CB 0.826 64.061 63.200 0.058 0.000 0.950 339 S HN 0.633 nan 8.310 nan 0.000 0.561 340 E N -0.044 120.233 120.200 0.128 0.000 2.482 340 E HA -0.050 4.300 4.350 0.000 0.000 0.196 340 E C 0.162 176.796 176.600 0.056 0.000 1.047 340 E CA 0.478 56.926 56.400 0.080 0.000 0.869 340 E CB -0.182 29.546 29.700 0.047 0.000 0.836 340 E HN 0.612 nan 8.360 nan 0.000 0.520 341 D N 1.429 121.859 120.400 0.051 0.000 2.201 341 D HA 0.042 4.682 4.640 0.000 0.000 0.209 341 D C 2.011 178.296 176.300 -0.024 0.000 0.961 341 D CA 1.175 55.182 54.000 0.011 0.000 0.861 341 D CB 0.023 40.827 40.800 0.006 0.000 0.997 341 D HN 0.254 nan 8.370 nan 0.000 0.486 342 A N 0.481 123.290 122.820 -0.018 0.000 1.873 342 A HA -0.123 4.197 4.320 0.000 0.000 0.215 342 A C 0.285 177.661 177.584 -0.346 0.000 1.186 342 A CA 1.039 52.969 52.037 -0.179 0.000 0.616 342 A CB -0.544 18.380 19.000 -0.128 0.000 0.823 342 A HN 0.193 nan 8.150 nan 0.000 0.442 343 Y N 0.140 120.439 120.300 -0.002 0.000 2.587 343 Y HA 0.457 5.007 4.550 0.000 0.000 0.328 343 Y C 1.079 176.969 175.900 -0.017 0.000 0.980 343 Y CA -0.722 57.378 58.100 -0.000 0.000 1.272 343 Y CB 0.909 39.381 38.460 0.020 0.000 1.094 343 Y HN 0.296 nan 8.280 nan 0.000 0.503 344 Q N 1.416 121.247 119.800 0.052 0.000 2.033 344 Q HA -0.058 4.282 4.340 0.000 0.000 0.196 344 Q C 0.717 176.724 176.000 0.013 0.000 0.970 344 Q CA 1.202 57.017 55.803 0.020 0.000 0.828 344 Q CB 0.028 28.762 28.738 -0.007 0.000 0.895 344 Q HN 0.684 nan 8.270 nan 0.000 0.440 345 N N 0.021 118.737 118.700 0.026 0.000 2.413 345 N HA 0.199 4.939 4.740 0.000 0.000 0.207 345 N C -0.980 174.532 175.510 0.003 0.000 1.206 345 N CA -0.387 52.673 53.050 0.017 0.000 0.832 345 N CB 0.465 38.971 38.487 0.032 0.000 1.037 345 N HN 0.077 nan 8.380 nan 0.000 0.467 346 A N 0.873 123.689 122.820 -0.007 0.000 2.343 346 A HA 0.443 4.763 4.320 0.000 0.000 0.316 346 A C -0.707 176.759 177.584 -0.196 0.000 1.104 346 A CA -0.498 51.500 52.037 -0.064 0.000 0.768 346 A CB 1.305 20.334 19.000 0.049 0.000 1.213 346 A HN 0.148 nan 8.150 nan 0.000 0.456 347 E N 1.607 121.551 120.200 -0.426 0.000 2.129 347 E HA 0.513 4.863 4.350 0.000 0.000 0.268 347 E C -1.278 174.989 176.600 -0.555 0.000 0.900 347 E CA -0.225 55.816 56.400 -0.598 0.000 0.755 347 E CB 1.237 30.225 29.700 -1.187 0.000 1.117 347 E HN 0.644 nan 8.360 nan 0.000 0.410 348 L N 4.579 125.570 121.223 -0.386 0.000 2.307 348 L HA 0.587 4.928 4.340 0.000 0.000 0.282 348 L C -1.272 175.297 176.870 -0.502 0.000 1.051 348 L CA -0.665 53.919 54.840 -0.426 0.000 0.804 348 L CB 1.074 42.924 42.059 -0.350 0.000 1.197 348 L HN 0.350 nan 8.230 nan 0.000 0.431 349 V N 4.839 124.411 119.914 -0.570 0.000 2.638 349 V HA 0.395 4.516 4.120 0.000 0.000 0.306 349 V C -0.674 175.176 176.094 -0.406 0.000 1.052 349 V CA -0.487 61.561 62.300 -0.420 0.000 0.885 349 V CB 1.826 33.479 31.823 -0.283 0.000 0.999 349 V HN 0.480 nan 8.190 nan 0.000 0.424 350 F N 4.386 124.294 119.950 -0.070 0.000 2.411 350 F HA 0.424 4.951 4.527 0.000 0.000 0.350 350 F C 1.070 176.861 175.800 -0.014 0.000 1.114 350 F CA -0.410 57.545 58.000 -0.073 0.000 1.135 350 F CB 1.367 40.295 39.000 -0.119 0.000 1.120 350 F HN 0.339 nan 8.300 nan 0.000 0.495 351 L N 2.165 123.494 121.223 0.177 0.000 2.592 351 L HA 0.069 4.409 4.340 0.000 0.000 0.227 351 L C 0.036 176.935 176.870 0.048 0.000 1.127 351 L CA 0.077 54.984 54.840 0.112 0.000 0.884 351 L CB -0.366 41.749 42.059 0.092 0.000 1.065 351 L HN 0.625 nan 8.230 nan 0.000 0.457 352 D N 0.934 121.342 120.400 0.013 0.000 2.772 352 D HA -0.186 4.455 4.640 0.000 0.000 0.233 352 D C -0.090 176.118 176.300 -0.154 0.000 1.143 352 D CA 0.938 54.879 54.000 -0.099 0.000 0.700 352 D CB -1.288 39.481 40.800 -0.051 0.000 1.076 352 D HN 0.300 nan 8.370 nan 0.000 0.430 353 I N 1.405 121.906 120.570 -0.114 0.000 2.312 353 I HA 0.100 4.270 4.170 0.000 0.000 0.290 353 I C 1.330 177.371 176.117 -0.126 0.000 1.008 353 I CA -0.626 60.637 61.300 -0.061 0.000 1.226 353 I CB 0.837 38.838 38.000 0.001 0.000 1.371 353 I HN -0.063 nan 8.210 nan 0.000 0.468 354 H N 4.433 123.529 119.070 0.043 0.000 2.730 354 H HA 0.065 4.621 4.556 0.000 0.000 0.376 354 H C 0.054 175.370 175.328 -0.020 0.000 1.299 354 H CA 0.023 56.076 56.048 0.009 0.000 1.447 354 H CB 0.583 30.352 29.762 0.011 0.000 1.493 354 H HN 0.601 nan 8.280 nan 0.000 0.619 355 N N 0.081 118.863 118.700 0.136 0.000 2.327 355 N HA -0.032 4.708 4.740 0.000 0.000 0.257 355 N C 1.471 176.969 175.510 -0.021 0.000 1.281 355 N CA -0.259 52.820 53.050 0.049 0.000 0.942 355 N CB 0.205 38.733 38.487 0.068 0.000 1.199 355 N HN 0.677 nan 8.380 nan 0.000 0.532 356 I N -3.781 116.714 120.570 -0.125 0.000 2.335 356 I HA -0.261 3.909 4.170 0.000 0.000 0.251 356 I C 1.383 177.386 176.117 -0.190 0.000 1.129 356 I CA 1.333 62.531 61.300 -0.170 0.000 1.402 356 I CB -0.580 37.281 38.000 -0.232 0.000 1.069 356 I HN 0.393 nan 8.210 nan 0.000 0.424 357 H N 1.358 120.469 119.070 0.067 0.000 2.363 357 H HA 0.016 4.572 4.556 0.000 0.000 0.301 357 H C 2.704 178.055 175.328 0.038 0.000 1.074 357 H CA 1.701 57.782 56.048 0.055 0.000 1.354 357 H CB -0.520 29.270 29.762 0.047 0.000 1.397 357 H HN 0.322 nan 8.280 nan 0.000 0.516 358 V N 1.432 121.404 119.914 0.098 0.000 2.343 358 V HA -0.246 3.874 4.120 0.000 0.000 0.247 358 V C 2.576 178.643 176.094 -0.044 0.000 1.051 358 V CA 1.410 63.713 62.300 0.006 0.000 1.036 358 V CB -0.386 31.400 31.823 -0.062 0.000 0.654 358 V HN 0.276 nan 8.190 nan 0.000 0.451 359 M N -0.339 119.211 119.600 -0.083 0.000 2.175 359 M HA -0.132 4.348 4.480 0.000 0.000 0.264 359 M C 2.233 178.641 176.300 0.181 0.000 1.063 359 M CA 1.624 56.899 55.300 -0.041 0.000 1.119 359 M CB -1.466 31.116 32.600 -0.031 0.000 1.377 359 M HN 0.335 nan 8.290 nan 0.000 0.415 360 R N 0.633 121.222 120.500 0.149 0.000 2.073 360 R HA -0.210 4.130 4.340 0.000 0.000 0.234 360 R C 2.122 178.523 176.300 0.168 0.000 1.134 360 R CA 1.966 58.169 56.100 0.173 0.000 0.952 360 R CB -0.170 30.220 30.300 0.149 0.000 0.850 360 R HN 0.230 nan 8.270 nan 0.000 0.433 361 E N 0.159 120.449 120.200 0.149 0.000 2.110 361 E HA -0.144 4.207 4.350 0.000 0.000 0.193 361 E C 1.848 178.555 176.600 0.178 0.000 0.988 361 E CA 1.723 58.205 56.400 0.138 0.000 0.804 361 E CB -0.273 29.495 29.700 0.113 0.000 0.745 361 E HN 0.286 nan 8.360 nan 0.000 0.458 362 S N -0.880 114.970 115.700 0.250 0.000 2.355 362 S HA -0.101 4.369 4.470 0.000 0.000 0.222 362 S C 1.808 176.612 174.600 0.341 0.000 1.031 362 S CA 1.093 59.524 58.200 0.386 0.000 0.993 362 S CB -0.439 63.108 63.200 0.579 0.000 0.859 362 S HN 0.367 nan 8.310 nan 0.000 0.453 363 L N 2.269 123.678 121.223 0.310 0.000 2.131 363 L HA 0.054 4.395 4.340 0.000 0.000 0.210 363 L C 2.409 179.261 176.870 -0.030 0.000 1.092 363 L CA 1.806 56.609 54.840 -0.062 0.000 0.759 363 L CB -0.741 41.299 42.059 -0.030 0.000 0.903 363 L HN 0.285 nan 8.230 nan 0.000 0.435 364 R N -0.312 120.225 120.500 0.061 0.000 2.073 364 R HA -0.196 4.144 4.340 0.000 0.000 0.234 364 R C 2.300 178.622 176.300 0.037 0.000 1.134 364 R CA 1.882 58.010 56.100 0.046 0.000 0.952 364 R CB -0.159 30.181 30.300 0.067 0.000 0.850 364 R HN 0.356 nan 8.270 nan 0.000 0.433 365 K N 0.278 120.715 120.400 0.062 0.000 2.097 365 K HA -0.176 4.145 4.320 0.000 0.000 0.206 365 K C 2.096 178.710 176.600 0.024 0.000 1.049 365 K CA 1.280 57.599 56.287 0.054 0.000 0.933 365 K CB -0.237 32.313 32.500 0.083 0.000 0.717 365 K HN 0.121 nan 8.250 nan 0.000 0.442 366 L N 1.997 123.207 121.223 -0.021 0.000 2.017 366 L HA -0.191 4.149 4.340 0.000 0.000 0.208 366 L C 2.258 179.108 176.870 -0.033 0.000 1.073 366 L CA 1.833 56.619 54.840 -0.090 0.000 0.745 366 L CB -0.415 41.436 42.059 -0.347 0.000 0.894 366 L HN 0.020 nan 8.230 nan 0.000 0.432 367 K N -0.500 119.877 120.400 -0.040 0.000 2.113 367 K HA -0.254 4.066 4.320 0.000 0.000 0.208 367 K C 1.895 178.546 176.600 0.086 0.000 1.047 367 K CA 2.040 58.342 56.287 0.025 0.000 0.928 367 K CB -0.140 32.363 32.500 0.005 0.000 0.716 367 K HN 0.551 nan 8.250 nan 0.000 0.446 368 E N 0.416 120.657 120.200 0.068 0.000 2.072 368 E HA -0.169 4.181 4.350 0.000 0.000 0.191 368 E C 2.012 178.677 176.600 0.109 0.000 0.985 368 E CA 1.562 58.011 56.400 0.082 0.000 0.801 368 E CB -0.190 29.544 29.700 0.057 0.000 0.750 368 E HN 0.596 nan 8.360 nan 0.000 0.452 369 I N -2.368 118.279 120.570 0.129 0.000 3.251 369 I HA -0.022 4.149 4.170 0.000 0.000 0.277 369 I C 1.933 178.208 176.117 0.264 0.000 1.268 369 I CA 0.308 61.723 61.300 0.193 0.000 1.449 369 I CB 0.195 38.318 38.000 0.205 0.000 1.083 369 I HN -0.131 nan 8.210 nan 0.000 0.464 370 V N 0.302 120.355 119.914 0.231 0.000 2.403 370 V HA -0.025 4.095 4.120 0.000 0.000 0.239 370 V C 1.055 177.286 176.094 0.229 0.000 1.041 370 V CA 0.855 63.283 62.300 0.213 0.000 1.051 370 V CB -0.243 31.702 31.823 0.203 0.000 0.704 370 V HN 0.459 nan 8.190 nan 0.000 0.472 371 Y N 2.734 123.092 120.300 0.096 0.000 2.300 371 Y HA 0.303 4.853 4.550 0.000 0.000 0.328 371 Y C -0.818 175.113 175.900 0.051 0.000 1.270 371 Y CA -2.936 55.224 58.100 0.100 0.000 1.352 371 Y CB 0.609 39.167 38.460 0.163 0.000 1.286 371 Y HN 0.050 nan 8.280 nan 0.000 0.536 372 P HA -0.226 nan 4.420 nan 0.000 0.217 372 P C -0.632 176.558 177.300 -0.183 0.000 1.162 372 P CA 1.687 64.412 63.100 -0.626 0.000 0.901 372 P CB 0.335 31.482 31.700 -0.923 0.000 0.793 373 N N -0.217 118.433 118.700 -0.083 0.000 2.314 373 N HA 0.367 5.107 4.740 0.000 0.000 0.294 373 N C -0.244 175.282 175.510 0.028 0.000 1.029 373 N CA -0.674 52.375 53.050 -0.002 0.000 0.845 373 N CB 2.015 40.482 38.487 -0.033 0.000 1.321 373 N HN 0.050 nan 8.380 nan 0.000 0.481 374 I N 0.979 121.560 120.570 0.019 0.000 2.395 374 I HA 0.039 4.209 4.170 0.000 0.000 0.289 374 I C 0.938 177.083 176.117 0.046 0.000 1.023 374 I CA -0.287 61.026 61.300 0.022 0.000 1.350 374 I CB 0.844 38.767 38.000 -0.129 0.000 1.409 374 I HN 0.232 nan 8.210 nan 0.000 0.507 375 E N 6.218 126.488 120.200 0.117 0.000 1.893 375 E HA 0.032 4.382 4.350 0.000 0.000 0.269 375 E C 0.631 177.325 176.600 0.156 0.000 1.129 375 E CA -0.125 56.348 56.400 0.121 0.000 0.904 375 E CB 0.680 30.464 29.700 0.140 0.000 1.077 375 E HN 0.443 nan 8.360 nan 0.000 0.407 376 E N 1.163 121.412 120.200 0.082 0.000 2.130 376 E HA -0.196 4.154 4.350 0.000 0.000 0.196 376 E C 1.826 178.469 176.600 0.071 0.000 0.998 376 E CA 1.975 58.417 56.400 0.070 0.000 0.806 376 E CB -0.205 29.497 29.700 0.003 0.000 0.738 376 E HN 0.705 nan 8.360 nan 0.000 0.459 377 T N -2.264 112.288 114.554 -0.004 0.000 2.699 377 T HA -0.240 4.110 4.350 0.000 0.000 0.268 377 T C 1.316 175.896 174.700 -0.199 0.000 1.036 377 T CA 1.951 63.951 62.100 -0.166 0.000 1.147 377 T CB -0.409 68.274 68.868 -0.308 0.000 0.862 377 T HN 0.336 nan 8.240 nan 0.000 0.446 378 H N -1.164 117.974 119.070 0.113 0.000 2.581 378 H HA 0.311 4.868 4.556 0.000 0.000 0.275 378 H C 1.246 176.645 175.328 0.120 0.000 1.126 378 H CA -0.736 55.364 56.048 0.087 0.000 1.097 378 H CB -0.056 29.737 29.762 0.051 0.000 1.626 378 H HN 0.427 nan 8.280 nan 0.000 0.565 379 W N 1.514 122.862 121.300 0.079 0.000 2.298 379 W HA -0.319 4.341 4.660 0.000 0.000 0.328 379 W C 0.703 177.255 176.519 0.054 0.000 1.259 379 W CA 1.726 59.106 57.345 0.057 0.000 1.251 379 W CB -0.584 28.898 29.460 0.037 0.000 1.161 379 W HN 0.288 nan 8.180 nan 0.000 0.466 380 L N 1.470 122.607 121.223 -0.144 0.000 1.990 380 L HA -0.332 4.008 4.340 0.000 0.000 0.213 380 L C 2.927 179.655 176.870 -0.238 0.000 1.072 380 L CA 2.409 57.086 54.840 -0.272 0.000 0.755 380 L CB -1.292 40.734 42.059 -0.054 0.000 0.889 380 L HN 0.103 nan 8.230 nan 0.000 0.432 381 S N -0.752 114.891 115.700 -0.094 0.000 2.383 381 S HA -0.130 4.340 4.470 0.000 0.000 0.227 381 S C 1.757 176.270 174.600 -0.145 0.000 1.026 381 S CA 1.136 59.284 58.200 -0.087 0.000 0.981 381 S CB -0.459 62.739 63.200 -0.002 0.000 0.818 381 S HN 0.389 nan 8.310 nan 0.000 0.472 382 N N 1.827 120.444 118.700 -0.138 0.000 2.106 382 N HA 0.027 4.767 4.740 0.000 0.000 0.188 382 N C 1.677 177.023 175.510 -0.273 0.000 1.029 382 N CA 1.153 54.116 53.050 -0.146 0.000 0.848 382 N CB -0.844 37.624 38.487 -0.033 0.000 1.007 382 N HN 0.386 nan 8.380 nan 0.000 0.423 383 L N 1.986 122.897 121.223 -0.519 0.000 2.042 383 L HA -0.148 4.192 4.340 0.000 0.000 0.210 383 L C 2.136 178.805 176.870 -0.336 0.000 1.076 383 L CA 1.820 56.305 54.840 -0.591 0.000 0.749 383 L CB -0.856 40.612 42.059 -0.986 0.000 0.893 383 L HN 0.258 nan 8.230 nan 0.000 0.432 384 E N -0.688 119.326 120.200 -0.310 0.000 2.085 384 E HA -0.251 4.099 4.350 0.000 0.000 0.194 384 E C 2.125 178.482 176.600 -0.405 0.000 0.994 384 E CA 1.559 57.794 56.400 -0.276 0.000 0.801 384 E CB -0.193 29.381 29.700 -0.210 0.000 0.743 384 E HN 0.746 nan 8.360 nan 0.000 0.453 385 S N -0.193 115.309 115.700 -0.330 0.000 2.423 385 S HA -0.179 4.291 4.470 0.000 0.000 0.231 385 S C 2.161 176.581 174.600 -0.300 0.000 1.014 385 S CA 1.527 59.522 58.200 -0.343 0.000 0.965 385 S CB -0.876 62.228 63.200 -0.160 0.000 0.785 385 S HN 0.496 nan 8.310 nan 0.000 0.495 386 T N -1.419 113.031 114.554 -0.174 0.000 2.777 386 T HA -0.160 4.191 4.350 0.000 0.000 0.266 386 T C 0.845 175.657 174.700 0.186 0.000 1.040 386 T CA 1.464 63.581 62.100 0.028 0.000 1.141 386 T CB -0.907 67.993 68.868 0.053 0.000 0.868 386 T HN 0.640 nan 8.240 nan 0.000 0.444 387 H N -1.796 117.312 119.070 0.063 0.000 3.049 387 H HA -0.136 4.420 4.556 0.000 0.000 0.250 387 H C 0.888 176.217 175.328 0.002 0.000 1.219 387 H CA 0.854 56.876 56.048 -0.043 0.000 1.117 387 H CB -2.043 27.659 29.762 -0.101 0.000 1.251 387 H HN 0.626 nan 8.280 nan 0.000 0.338 388 W N 1.730 123.076 121.300 0.077 0.000 2.352 388 W HA -0.126 4.534 4.660 0.000 0.000 0.322 388 W C 1.949 178.522 176.519 0.090 0.000 1.208 388 W CA 1.596 59.017 57.345 0.126 0.000 1.286 388 W CB -0.656 28.818 29.460 0.022 0.000 1.167 388 W HN 0.263 nan 8.180 nan 0.000 0.469 389 L N 0.771 122.076 121.223 0.135 0.000 2.261 389 L HA -0.231 4.110 4.340 0.000 0.000 0.216 389 L C 2.356 179.201 176.870 -0.041 0.000 1.114 389 L CA 1.656 56.527 54.840 0.052 0.000 0.777 389 L CB -0.686 41.435 42.059 0.104 0.000 0.910 389 L HN 0.045 nan 8.230 nan 0.000 0.440 390 E N -0.666 119.479 120.200 -0.091 0.000 2.112 390 E HA -0.184 4.166 4.350 0.000 0.000 0.190 390 E C 2.169 178.666 176.600 -0.171 0.000 0.979 390 E CA 1.115 57.438 56.400 -0.128 0.000 0.814 390 E CB 0.051 29.666 29.700 -0.143 0.000 0.762 390 E HN 0.408 nan 8.360 nan 0.000 0.460 391 H N 0.132 119.152 119.070 -0.084 0.000 2.357 391 H HA -0.060 4.497 4.556 0.000 0.000 0.301 391 H C 1.987 177.211 175.328 -0.174 0.000 1.082 391 H CA 1.425 57.395 56.048 -0.130 0.000 1.342 391 H CB -0.085 29.539 29.762 -0.230 0.000 1.389 391 H HN 0.227 nan 8.280 nan 0.000 0.511 392 I N 1.169 121.641 120.570 -0.165 0.000 2.264 392 I HA -0.231 3.939 4.170 0.000 0.000 0.248 392 I C 2.506 178.605 176.117 -0.031 0.000 1.111 392 I CA 1.059 62.286 61.300 -0.122 0.000 1.382 392 I CB -0.676 37.262 38.000 -0.103 0.000 1.060 392 I HN 0.178 nan 8.210 nan 0.000 0.418 393 K N 1.266 121.652 120.400 -0.023 0.000 2.057 393 K HA -0.123 4.197 4.320 0.000 0.000 0.206 393 K C 2.231 178.834 176.600 0.005 0.000 1.050 393 K CA 1.114 57.402 56.287 0.001 0.000 0.935 393 K CB -0.128 32.375 32.500 0.005 0.000 0.715 393 K HN 0.274 nan 8.250 nan 0.000 0.439 394 L N 0.776 122.004 121.223 0.008 0.000 2.141 394 L HA -0.147 4.193 4.340 0.000 0.000 0.209 394 L C 2.428 179.309 176.870 0.019 0.000 1.094 394 L CA 0.812 55.664 54.840 0.020 0.000 0.763 394 L CB -0.258 41.825 42.059 0.039 0.000 0.908 394 L HN 0.151 nan 8.230 nan 0.000 0.437 395 I N -0.568 120.015 120.570 0.022 0.000 2.252 395 I HA -0.296 3.875 4.170 0.000 0.000 0.245 395 I C 2.384 178.514 176.117 0.022 0.000 1.102 395 I CA 1.309 62.626 61.300 0.028 0.000 1.385 395 I CB -0.143 37.883 38.000 0.043 0.000 1.064 395 I HN 0.207 nan 8.210 nan 0.000 0.414 396 L N 0.366 121.601 121.223 0.019 0.000 2.093 396 L HA -0.159 4.181 4.340 0.000 0.000 0.208 396 L C 2.804 179.675 176.870 0.001 0.000 1.085 396 L CA 1.171 56.021 54.840 0.018 0.000 0.755 396 L CB -0.519 41.553 42.059 0.020 0.000 0.904 396 L HN 0.228 nan 8.230 nan 0.000 0.435 397 A N 0.021 122.839 122.820 -0.003 0.000 1.933 397 A HA -0.131 4.190 4.320 0.000 0.000 0.218 397 A C 2.349 179.911 177.584 -0.038 0.000 1.175 397 A CA 1.700 53.729 52.037 -0.013 0.000 0.628 397 A CB -1.150 17.849 19.000 -0.002 0.000 0.814 397 A HN 0.450 nan 8.150 nan 0.000 0.444 398 G N -0.533 108.244 108.800 -0.038 0.000 2.404 398 G HA2 0.029 3.989 3.960 0.000 0.000 0.215 398 G HA3 0.029 3.989 3.960 0.000 0.000 0.215 398 G C 1.764 176.561 174.900 -0.171 0.000 1.174 398 G CA 1.374 46.424 45.100 -0.084 0.000 0.780 398 G HN 0.786 nan 8.290 nan 0.000 0.537 399 A N 0.442 123.199 122.820 -0.105 0.000 1.933 399 A HA 0.085 4.405 4.320 0.000 0.000 0.218 399 A C 2.436 179.945 177.584 -0.125 0.000 1.175 399 A CA 1.237 53.206 52.037 -0.114 0.000 0.628 399 A CB -0.421 18.562 19.000 -0.029 0.000 0.814 399 A HN 0.359 nan 8.150 nan 0.000 0.444 400 L N -0.976 120.203 121.223 -0.073 0.000 2.017 400 L HA -0.216 4.124 4.340 0.000 0.000 0.208 400 L C 2.930 179.740 176.870 -0.101 0.000 1.073 400 L CA 1.534 56.355 54.840 -0.030 0.000 0.745 400 L CB -0.423 41.634 42.059 -0.005 0.000 0.894 400 L HN 0.393 nan 8.230 nan 0.000 0.432 401 R N -0.183 120.211 120.500 -0.177 0.000 2.105 401 R HA -0.175 4.165 4.340 0.000 0.000 0.239 401 R C 2.175 178.220 176.300 -0.425 0.000 1.135 401 R CA 1.424 57.384 56.100 -0.234 0.000 0.967 401 R CB -0.457 29.738 30.300 -0.176 0.000 0.861 401 R HN 0.393 nan 8.270 nan 0.000 0.442 402 I N 0.523 120.719 120.570 -0.624 0.000 2.202 402 I HA -0.239 3.931 4.170 0.000 0.000 0.242 402 I C 2.690 178.671 176.117 -0.227 0.000 1.091 402 I CA 1.210 62.144 61.300 -0.610 0.000 1.368 402 I CB -0.471 37.203 38.000 -0.543 0.000 1.058 402 I HN 0.151 nan 8.210 nan 0.000 0.410 403 A N 0.483 123.216 122.820 -0.145 0.000 1.883 403 A HA -0.340 3.980 4.320 0.000 0.000 0.217 403 A C 1.992 179.615 177.584 0.065 0.000 1.186 403 A CA 2.567 54.581 52.037 -0.038 0.000 0.624 403 A CB -0.923 18.072 19.000 -0.008 0.000 0.822 403 A HN 0.492 nan 8.150 nan 0.000 0.444 404 D N -1.000 119.444 120.400 0.073 0.000 2.117 404 D HA -0.187 4.453 4.640 0.000 0.000 0.197 404 D C 1.963 178.250 176.300 -0.022 0.000 0.987 404 D CA 1.647 55.677 54.000 0.051 0.000 0.829 404 D CB -0.040 40.707 40.800 -0.089 0.000 0.961 404 D HN 0.287 nan 8.370 nan 0.000 0.460 405 K N -0.169 120.181 120.400 -0.084 0.000 2.147 405 K HA -0.071 4.249 4.320 0.000 0.000 0.205 405 K C 1.747 178.326 176.600 -0.035 0.000 1.049 405 K CA 1.004 57.212 56.287 -0.131 0.000 0.936 405 K CB -0.400 32.000 32.500 -0.167 0.000 0.722 405 K HN 0.121 nan 8.250 nan 0.000 0.446 406 V N 0.223 120.154 119.914 0.029 0.000 2.273 406 V HA -0.108 4.013 4.120 0.000 0.000 0.242 406 V C 2.289 178.415 176.094 0.052 0.000 1.035 406 V CA 1.888 64.245 62.300 0.095 0.000 1.013 406 V CB -0.469 31.462 31.823 0.180 0.000 0.652 406 V HN 0.380 nan 8.190 nan 0.000 0.452 407 E N 0.662 120.908 120.200 0.077 0.000 2.017 407 E HA -0.163 4.187 4.350 0.000 0.000 0.193 407 E C 2.321 178.935 176.600 0.023 0.000 0.997 407 E CA 2.210 58.646 56.400 0.060 0.000 0.804 407 E CB -0.411 29.386 29.700 0.161 0.000 0.757 407 E HN 0.433 nan 8.360 nan 0.000 0.448 408 S N -1.233 114.500 115.700 0.056 0.000 2.421 408 S HA 0.139 4.609 4.470 0.000 0.000 0.224 408 S C 1.671 176.275 174.600 0.007 0.000 1.035 408 S CA 0.542 58.763 58.200 0.034 0.000 0.953 408 S CB 0.189 63.406 63.200 0.029 0.000 0.810 408 S HN 0.465 nan 8.310 nan 0.000 0.497 409 G N 1.001 109.787 108.800 -0.022 0.000 2.712 409 G HA2 -0.001 3.959 3.960 0.000 0.000 0.212 409 G HA3 -0.001 3.959 3.960 0.000 0.000 0.212 409 G C 0.317 175.227 174.900 0.016 0.000 1.142 409 G CA 0.030 45.101 45.100 -0.048 0.000 0.789 409 G HN 0.244 nan 8.290 nan 0.000 0.535 410 K N 0.089 120.508 120.400 0.030 0.000 3.020 410 K HA -0.148 4.172 4.320 0.000 0.000 0.266 410 K C -0.085 176.603 176.600 0.146 0.000 1.067 410 K CA 1.107 57.436 56.287 0.069 0.000 0.780 410 K CB -2.782 29.796 32.500 0.130 0.000 1.220 410 K HN 0.441 nan 8.250 nan 0.000 0.483 411 T N 0.621 115.234 114.554 0.098 0.000 2.824 411 T HA 0.359 4.709 4.350 0.000 0.000 0.280 411 T C 0.225 175.039 174.700 0.189 0.000 0.995 411 T CA -0.468 61.719 62.100 0.145 0.000 1.009 411 T CB 1.838 70.760 68.868 0.089 0.000 0.955 411 T HN 0.024 nan 8.240 nan 0.000 0.452 412 S N 2.036 117.875 115.700 0.231 0.000 2.565 412 S HA 0.489 4.959 4.470 0.000 0.000 0.276 412 S C 0.194 174.966 174.600 0.286 0.000 1.326 412 S CA -0.778 57.573 58.200 0.252 0.000 1.045 412 S CB 0.465 63.824 63.200 0.265 0.000 0.918 412 S HN 0.656 nan 8.310 nan 0.000 0.505 413 V N 1.224 121.310 119.914 0.288 0.000 2.656 413 V HA 0.778 4.899 4.120 0.000 0.000 0.307 413 V C -0.629 175.638 176.094 0.287 0.000 1.051 413 V CA -0.822 61.683 62.300 0.342 0.000 0.893 413 V CB 1.632 33.710 31.823 0.424 0.000 0.999 413 V HN 0.478 nan 8.190 nan 0.000 0.426 414 V N 4.791 124.873 119.914 0.280 0.000 2.398 414 V HA 0.559 4.679 4.120 0.000 0.000 0.286 414 V C -0.025 176.216 176.094 0.245 0.000 1.026 414 V CA -0.402 62.043 62.300 0.242 0.000 0.868 414 V CB 1.613 33.568 31.823 0.219 0.000 0.982 414 V HN 0.812 nan 8.190 nan 0.000 0.443 415 V N 5.984 126.012 119.914 0.190 0.000 2.459 415 V HA 0.639 4.759 4.120 0.000 0.000 0.295 415 V C -0.088 176.096 176.094 0.150 0.000 1.029 415 V CA -0.419 61.959 62.300 0.131 0.000 0.874 415 V CB 1.312 33.161 31.823 0.043 0.000 0.985 415 V HN 1.090 nan 8.190 nan 0.000 0.438 416 H N 2.322 121.415 119.070 0.038 0.000 3.015 416 H HA 0.756 5.312 4.556 0.000 0.000 0.282 416 H C -0.289 175.037 175.328 -0.003 0.000 1.508 416 H CA -0.090 55.956 56.048 -0.004 0.000 1.209 416 H CB 1.744 31.498 29.762 -0.012 0.000 1.869 416 H HN 0.558 nan 8.280 nan 0.000 0.591 417 S N -0.009 115.777 115.700 0.143 0.000 3.896 417 S HA 0.293 4.763 4.470 0.000 0.000 0.190 417 S C 0.822 175.503 174.600 0.134 0.000 1.171 417 S CA 0.246 58.491 58.200 0.075 0.000 1.368 417 S CB 0.661 63.864 63.200 0.005 0.000 1.688 417 S HN 0.453 nan 8.310 nan 0.000 0.791 418 S N 1.459 117.168 115.700 0.015 0.000 2.559 418 S HA 0.254 4.724 4.470 0.000 0.000 0.212 418 S C 0.952 175.452 174.600 -0.166 0.000 0.994 418 S CA 0.648 58.828 58.200 -0.033 0.000 0.903 418 S CB -0.451 62.733 63.200 -0.027 0.000 0.861 418 S HN 0.620 nan 8.310 nan 0.000 0.601 419 D N 0.364 120.571 120.400 -0.321 0.000 2.346 419 D HA 0.200 4.840 4.640 0.000 0.000 0.206 419 D C 1.366 177.249 176.300 -0.694 0.000 1.001 419 D CA 0.888 54.470 54.000 -0.697 0.000 0.871 419 D CB 0.191 40.231 40.800 -1.267 0.000 0.943 419 D HN 0.536 nan 8.370 nan 0.000 0.518 420 G N 1.348 109.922 108.800 -0.377 0.000 2.162 420 G HA2 -0.276 3.684 3.960 0.000 0.000 0.260 420 G HA3 -0.276 3.684 3.960 0.000 0.000 0.260 420 G C 0.788 175.650 174.900 -0.062 0.000 0.976 420 G CA 0.767 45.768 45.100 -0.165 0.000 0.655 420 G HN 0.364 nan 8.290 nan 0.000 0.533 421 W N -0.183 121.140 121.300 0.038 0.000 2.574 421 W HA 0.379 5.039 4.660 0.000 0.000 0.282 421 W C 1.399 177.898 176.519 -0.033 0.000 1.197 421 W CA 1.085 58.445 57.345 0.025 0.000 1.376 421 W CB -0.493 29.011 29.460 0.073 0.000 1.091 421 W HN 0.118 nan 8.180 nan 0.000 0.569 422 D N 1.073 121.703 120.400 0.384 0.000 2.306 422 D HA -0.023 4.617 4.640 0.000 0.000 0.239 422 D C 2.118 178.461 176.300 0.071 0.000 1.105 422 D CA 0.972 55.153 54.000 0.301 0.000 0.950 422 D CB -0.308 40.712 40.800 0.367 0.000 1.036 422 D HN 0.029 nan 8.370 nan 0.000 0.428 423 R N 0.549 121.086 120.500 0.063 0.000 2.081 423 R HA -0.055 4.285 4.340 0.000 0.000 0.235 423 R C 2.447 178.715 176.300 -0.054 0.000 1.131 423 R CA 1.253 57.365 56.100 0.019 0.000 0.960 423 R CB -0.426 29.887 30.300 0.022 0.000 0.856 423 R HN 0.140 nan 8.270 nan 0.000 0.436 424 T N 0.865 115.374 114.554 -0.075 0.000 2.720 424 T HA -0.157 4.193 4.350 0.000 0.000 0.268 424 T C 1.921 176.466 174.700 -0.259 0.000 1.037 424 T CA 1.498 63.524 62.100 -0.123 0.000 1.144 424 T CB -0.219 68.599 68.868 -0.084 0.000 0.864 424 T HN 0.398 nan 8.240 nan 0.000 0.444 425 A N 1.126 123.700 122.820 -0.411 0.000 1.969 425 A HA -0.131 4.189 4.320 0.000 0.000 0.218 425 A C 2.268 179.389 177.584 -0.771 0.000 1.169 425 A CA 1.347 52.869 52.037 -0.857 0.000 0.635 425 A CB -0.530 17.581 19.000 -1.482 0.000 0.810 425 A HN 0.549 nan 8.150 nan 0.000 0.445 426 Q N -0.416 119.170 119.800 -0.356 0.000 2.046 426 Q HA -0.092 4.248 4.340 0.000 0.000 0.200 426 Q C 2.089 178.106 176.000 0.027 0.000 0.975 426 Q CA 1.489 57.324 55.803 0.052 0.000 0.836 426 Q CB -0.320 28.526 28.738 0.181 0.000 0.896 426 Q HN 0.679 nan 8.270 nan 0.000 0.428 427 L N 0.335 121.522 121.223 -0.060 0.000 2.005 427 L HA -0.187 4.153 4.340 0.000 0.000 0.207 427 L C 2.851 179.655 176.870 -0.110 0.000 1.072 427 L CA 1.669 56.467 54.840 -0.070 0.000 0.744 427 L CB -1.117 40.887 42.059 -0.092 0.000 0.895 427 L HN 0.413 nan 8.230 nan 0.000 0.433 428 T N -2.551 111.899 114.554 -0.174 0.000 2.652 428 T HA -0.218 4.132 4.350 0.000 0.000 0.267 428 T C 2.074 176.660 174.700 -0.191 0.000 1.039 428 T CA 1.612 63.596 62.100 -0.193 0.000 1.153 428 T CB -0.840 67.868 68.868 -0.267 0.000 0.863 428 T HN 0.451 nan 8.240 nan 0.000 0.428 429 S N 2.140 117.711 115.700 -0.215 0.000 2.382 429 S HA 0.008 4.479 4.470 0.000 0.000 0.228 429 S C 2.155 176.798 174.600 0.072 0.000 1.027 429 S CA 1.094 59.208 58.200 -0.144 0.000 0.991 429 S CB -1.000 62.086 63.200 -0.191 0.000 0.823 429 S HN 0.516 nan 8.310 nan 0.000 0.469 430 L N 1.250 122.575 121.223 0.171 0.000 2.072 430 L HA 0.067 4.407 4.340 0.000 0.000 0.205 430 L C 3.186 180.077 176.870 0.036 0.000 1.079 430 L CA 1.024 55.988 54.840 0.207 0.000 0.752 430 L CB -0.785 41.398 42.059 0.208 0.000 0.906 430 L HN 0.454 nan 8.230 nan 0.000 0.436 431 A N -0.152 122.635 122.820 -0.054 0.000 1.902 431 A HA -0.235 4.086 4.320 0.000 0.000 0.217 431 A C 2.288 179.739 177.584 -0.222 0.000 1.181 431 A CA 1.740 53.697 52.037 -0.134 0.000 0.623 431 A CB -0.499 18.404 19.000 -0.162 0.000 0.818 431 A HN 0.338 nan 8.150 nan 0.000 0.443 432 M N -0.859 118.595 119.600 -0.243 0.000 2.213 432 M HA -0.068 4.412 4.480 0.000 0.000 0.263 432 M C 2.010 178.236 176.300 -0.124 0.000 1.062 432 M CA 1.148 56.237 55.300 -0.352 0.000 1.105 432 M CB -0.336 32.054 32.600 -0.350 0.000 1.385 432 M HN 0.378 nan 8.290 nan 0.000 0.417 433 L N -0.644 120.574 121.223 -0.008 0.000 2.217 433 L HA -0.146 4.194 4.340 0.000 0.000 0.211 433 L C 2.352 179.211 176.870 -0.019 0.000 1.107 433 L CA 0.934 55.851 54.840 0.128 0.000 0.783 433 L CB -0.164 42.062 42.059 0.278 0.000 0.919 433 L HN 0.380 nan 8.230 nan 0.000 0.442 434 M N -1.174 118.357 119.600 -0.116 0.000 2.236 434 M HA -0.142 4.339 4.480 0.000 0.000 0.266 434 M C 2.017 178.128 176.300 -0.316 0.000 1.070 434 M CA 1.502 56.661 55.300 -0.235 0.000 1.137 434 M CB -0.023 32.450 32.600 -0.211 0.000 1.378 434 M HN 0.201 nan 8.290 nan 0.000 0.426 435 L N -1.307 119.712 121.223 -0.339 0.000 2.202 435 L HA 0.043 4.383 4.340 0.000 0.000 0.205 435 L C 0.692 177.401 176.870 -0.269 0.000 1.083 435 L CA 0.353 54.962 54.840 -0.385 0.000 0.790 435 L CB -0.082 41.538 42.059 -0.730 0.000 0.942 435 L HN 0.118 nan 8.230 nan 0.000 0.452 436 D N -0.043 120.207 120.400 -0.249 0.000 2.414 436 D HA 0.194 4.835 4.640 0.000 0.000 0.232 436 D C 0.876 177.112 176.300 -0.107 0.000 1.070 436 D CA -0.105 53.841 54.000 -0.091 0.000 0.839 436 D CB 2.177 42.948 40.800 -0.049 0.000 1.079 436 D HN 0.054 nan 8.370 nan 0.000 0.521 437 G N 2.783 111.475 108.800 -0.180 0.000 2.448 437 G HA2 -0.326 3.634 3.960 0.000 0.000 0.219 437 G HA3 -0.326 3.634 3.960 0.000 0.000 0.219 437 G C 1.212 176.060 174.900 -0.087 0.000 1.127 437 G CA 0.545 45.534 45.100 -0.185 0.000 0.766 437 G HN 0.603 nan 8.290 nan 0.000 0.552 438 Y N 0.881 121.041 120.300 -0.234 0.000 2.165 438 Y HA -0.211 4.339 4.550 0.000 0.000 0.286 438 Y C 2.319 178.168 175.900 -0.085 0.000 1.155 438 Y CA 1.320 59.294 58.100 -0.209 0.000 1.164 438 Y CB -0.511 37.745 38.460 -0.341 0.000 0.978 438 Y HN 0.373 nan 8.280 nan 0.000 0.513 439 Y N -0.041 120.193 120.300 -0.109 0.000 2.569 439 Y HA -0.120 4.430 4.550 0.000 0.000 0.293 439 Y C 2.111 178.060 175.900 0.082 0.000 1.144 439 Y CA 0.594 58.632 58.100 -0.104 0.000 1.321 439 Y CB -0.106 38.379 38.460 0.041 0.000 0.982 439 Y HN 0.075 nan 8.280 nan 0.000 0.558 440 R N -0.010 120.561 120.500 0.119 0.000 2.297 440 R HA 0.018 4.359 4.340 0.000 0.000 0.197 440 R C 0.928 177.185 176.300 -0.072 0.000 0.943 440 R CA 0.565 56.709 56.100 0.074 0.000 1.038 440 R CB -0.174 29.928 30.300 -0.331 0.000 0.957 440 R HN 0.154 nan 8.270 nan 0.000 0.484 441 T N -1.824 112.652 114.554 -0.130 0.000 2.899 441 T HA 0.203 4.553 4.350 0.000 0.000 0.295 441 T C 1.580 176.207 174.700 -0.121 0.000 1.033 441 T CA -0.559 61.391 62.100 -0.250 0.000 1.084 441 T CB 1.228 69.976 68.868 -0.199 0.000 0.979 441 T HN -0.099 nan 8.240 nan 0.000 0.532 442 I N 0.862 121.308 120.570 -0.207 0.000 2.118 442 I HA -0.238 3.932 4.170 0.000 0.000 0.241 442 I C 3.113 179.111 176.117 -0.198 0.000 1.070 442 I CA 1.643 62.783 61.300 -0.267 0.000 1.327 442 I CB -0.354 37.433 38.000 -0.354 0.000 1.034 442 I HN 0.709 nan 8.210 nan 0.000 0.405 443 R N 0.387 120.771 120.500 -0.193 0.000 2.092 443 R HA -0.087 4.253 4.340 0.000 0.000 0.231 443 R C 2.414 178.564 176.300 -0.250 0.000 1.119 443 R CA 1.263 57.239 56.100 -0.206 0.000 0.970 443 R CB -0.573 29.658 30.300 -0.116 0.000 0.864 443 R HN 0.482 nan 8.270 nan 0.000 0.440 444 G N 0.279 108.871 108.800 -0.348 0.000 2.418 444 G HA2 -0.290 3.670 3.960 0.000 0.000 0.217 444 G HA3 -0.290 3.670 3.960 0.000 0.000 0.217 444 G C 1.191 175.991 174.900 -0.167 0.000 1.158 444 G CA 0.284 44.997 45.100 -0.645 0.000 0.771 444 G HN 0.239 nan 8.290 nan 0.000 0.545 445 F N 1.799 121.660 119.950 -0.149 0.000 2.134 445 F HA -0.034 4.493 4.527 0.000 0.000 0.299 445 F C 2.721 178.406 175.800 -0.192 0.000 1.097 445 F CA 1.907 59.885 58.000 -0.038 0.000 1.264 445 F CB -0.143 38.870 39.000 0.020 0.000 1.001 445 F HN 0.284 nan 8.300 nan 0.000 0.479 446 E N -0.536 119.438 120.200 -0.376 0.000 2.118 446 E HA -0.198 4.152 4.350 0.000 0.000 0.195 446 E C 2.328 178.556 176.600 -0.619 0.000 0.992 446 E CA 1.553 57.360 56.400 -0.988 0.000 0.804 446 E CB -0.461 28.286 29.700 -1.588 0.000 0.741 446 E HN 0.293 nan 8.360 nan 0.000 0.458 447 V N 1.432 121.128 119.914 -0.362 0.000 2.358 447 V HA -0.232 3.888 4.120 0.000 0.000 0.246 447 V C 2.291 178.206 176.094 -0.298 0.000 1.047 447 V CA 1.355 63.529 62.300 -0.210 0.000 1.035 447 V CB -0.389 31.489 31.823 0.092 0.000 0.658 447 V HN 0.214 nan 8.190 nan 0.000 0.452 448 L N 0.070 121.133 121.223 -0.266 0.000 2.013 448 L HA -0.168 4.173 4.340 0.000 0.000 0.212 448 L C 2.350 179.079 176.870 -0.235 0.000 1.073 448 L CA 2.015 56.629 54.840 -0.376 0.000 0.753 448 L CB -0.567 41.202 42.059 -0.484 0.000 0.890 448 L HN 0.143 nan 8.230 nan 0.000 0.432 449 V N -0.310 119.467 119.914 -0.228 0.000 2.295 449 V HA -0.230 3.890 4.120 0.000 0.000 0.246 449 V C 2.620 178.775 176.094 0.103 0.000 1.049 449 V CA 1.842 64.168 62.300 0.044 0.000 1.024 449 V CB -0.730 31.150 31.823 0.094 0.000 0.648 449 V HN 0.456 nan 8.190 nan 0.000 0.447 450 E N 0.265 120.426 120.200 -0.065 0.000 2.118 450 E HA -0.258 4.092 4.350 0.000 0.000 0.195 450 E C 2.105 178.569 176.600 -0.227 0.000 0.992 450 E CA 1.586 57.932 56.400 -0.091 0.000 0.804 450 E CB -0.183 29.438 29.700 -0.131 0.000 0.741 450 E HN 0.675 nan 8.360 nan 0.000 0.458 451 K N 0.759 120.884 120.400 -0.458 0.000 1.975 451 K HA -0.109 4.211 4.320 0.000 0.000 0.210 451 K C 1.944 178.615 176.600 0.119 0.000 1.041 451 K CA 1.091 57.174 56.287 -0.341 0.000 0.942 451 K CB 0.111 32.332 32.500 -0.465 0.000 0.729 451 K HN -0.157 nan 8.250 nan 0.000 0.439 452 E N -0.582 119.624 120.200 0.010 0.000 2.158 452 E HA -0.120 4.230 4.350 0.000 0.000 0.191 452 E C 1.792 178.267 176.600 -0.208 0.000 0.982 452 E CA 0.949 57.261 56.400 -0.145 0.000 0.823 452 E CB 0.006 29.481 29.700 -0.375 0.000 0.766 452 E HN 0.460 nan 8.360 nan 0.000 0.468 453 W N 0.416 121.750 121.300 0.055 0.000 2.924 453 W HA 0.196 4.856 4.660 0.000 0.000 0.273 453 W C 2.246 178.985 176.519 0.366 0.000 1.046 453 W CA -0.133 57.324 57.345 0.186 0.000 1.788 453 W CB -0.721 28.872 29.460 0.221 0.000 1.127 453 W HN -0.099 nan 8.180 nan 0.000 0.571 454 L N 0.351 121.895 121.223 0.535 0.000 1.973 454 L HA -0.200 4.140 4.340 0.000 0.000 0.208 454 L C 2.724 179.776 176.870 0.303 0.000 1.073 454 L CA 1.861 56.945 54.840 0.407 0.000 0.746 454 L CB -1.490 40.708 42.059 0.232 0.000 0.891 454 L HN 0.053 nan 8.230 nan 0.000 0.433 455 S N -0.130 115.710 115.700 0.232 0.000 2.400 455 S HA -0.192 4.279 4.470 0.000 0.000 0.232 455 S C 1.706 176.336 174.600 0.049 0.000 1.025 455 S CA 1.214 59.504 58.200 0.150 0.000 0.993 455 S CB -0.686 62.599 63.200 0.143 0.000 0.808 455 S HN 0.326 nan 8.310 nan 0.000 0.478 456 F N 1.986 122.010 119.950 0.124 0.000 2.773 456 F HA 0.370 4.897 4.527 0.000 0.000 0.304 456 F C 1.831 177.773 175.800 0.237 0.000 1.129 456 F CA 0.336 58.395 58.000 0.099 0.000 1.378 456 F CB 0.092 39.067 39.000 -0.042 0.000 1.095 456 F HN 0.457 nan 8.300 nan 0.000 0.565 457 G N 0.133 109.154 108.800 0.369 0.000 2.132 457 G HA2 -0.341 3.619 3.960 0.000 0.000 0.228 457 G HA3 -0.341 3.619 3.960 0.000 0.000 0.228 457 G C 0.048 175.084 174.900 0.228 0.000 1.000 457 G CA -0.125 45.166 45.100 0.319 0.000 0.693 457 G HN 0.510 nan 8.290 nan 0.000 0.515 458 H N 0.984 120.147 119.070 0.154 0.000 3.004 458 H HA 0.385 4.941 4.556 0.000 0.000 0.316 458 H C 1.335 176.549 175.328 -0.190 0.000 1.014 458 H CA 0.165 56.176 56.048 -0.062 0.000 1.454 458 H CB 0.444 30.166 29.762 -0.066 0.000 1.472 458 H HN 0.315 nan 8.280 nan 0.000 0.571 459 R N 5.927 125.907 120.500 -0.867 0.000 4.154 459 R HA -0.012 4.329 4.340 0.000 0.000 0.186 459 R C 0.573 176.579 176.300 -0.490 0.000 1.750 459 R CA -0.056 55.670 56.100 -0.624 0.000 1.431 459 R CB -0.440 29.408 30.300 -0.753 0.000 1.383 459 R HN 0.667 nan 8.270 nan 0.000 0.788 460 F N 1.193 121.024 119.950 -0.198 0.000 2.043 460 F HA -0.343 4.184 4.527 0.000 0.000 0.297 460 F C 2.808 178.524 175.800 -0.141 0.000 1.121 460 F CA 1.920 59.893 58.000 -0.045 0.000 1.199 460 F CB -0.172 38.930 39.000 0.170 0.000 0.968 460 F HN 0.316 nan 8.300 nan 0.000 0.478 461 Q N 0.138 120.017 119.800 0.133 0.000 2.152 461 Q HA -0.239 4.101 4.340 0.000 0.000 0.206 461 Q C 2.016 177.942 176.000 -0.123 0.000 0.985 461 Q CA 1.714 57.513 55.803 -0.007 0.000 0.863 461 Q CB -0.384 28.463 28.738 0.182 0.000 0.904 461 Q HN 0.421 nan 8.270 nan 0.000 0.422 462 L N 0.021 121.179 121.223 -0.108 0.000 2.072 462 L HA -0.040 4.301 4.340 0.000 0.000 0.205 462 L C 1.963 178.767 176.870 -0.111 0.000 1.079 462 L CA 1.610 56.382 54.840 -0.114 0.000 0.752 462 L CB -0.304 41.661 42.059 -0.156 0.000 0.906 462 L HN 0.107 nan 8.230 nan 0.000 0.436 463 R N -0.965 119.444 120.500 -0.151 0.000 2.189 463 R HA 0.027 4.367 4.340 0.000 0.000 0.223 463 R C 1.944 178.248 176.300 0.006 0.000 1.092 463 R CA 1.211 57.264 56.100 -0.079 0.000 0.989 463 R CB -0.522 29.704 30.300 -0.124 0.000 0.876 463 R HN 0.342 nan 8.270 nan 0.000 0.457 464 V N -1.076 118.807 119.914 -0.052 0.000 2.922 464 V HA 0.183 4.304 4.120 0.000 0.000 0.242 464 V C 1.112 177.189 176.094 -0.028 0.000 1.094 464 V CA 0.923 63.226 62.300 0.004 0.000 1.106 464 V CB -0.022 31.762 31.823 -0.064 0.000 0.799 464 V HN 0.497 nan 8.190 nan 0.000 0.474 465 G N 1.211 109.949 108.800 -0.103 0.000 2.248 465 G HA2 -0.210 3.750 3.960 0.000 0.000 0.252 465 G HA3 -0.210 3.750 3.960 0.000 0.000 0.252 465 G C -0.134 174.836 174.900 0.116 0.000 1.085 465 G CA -0.230 44.873 45.100 0.007 0.000 0.845 465 G HN 0.539 nan 8.290 nan 0.000 0.494 466 H N -0.119 119.050 119.070 0.165 0.000 3.167 466 H HA 0.277 4.833 4.556 0.000 0.000 0.306 466 H C 1.754 177.190 175.328 0.180 0.000 0.965 466 H CA 1.407 57.562 56.048 0.178 0.000 1.408 466 H CB 0.299 30.170 29.762 0.181 0.000 1.406 466 H HN 1.411 nan 8.280 nan 0.000 0.576 467 G N 3.418 112.415 108.800 0.328 0.000 2.337 467 G HA2 -0.280 3.680 3.960 0.000 0.000 0.290 467 G HA3 -0.280 3.680 3.960 0.000 0.000 0.290 467 G C 0.093 175.199 174.900 0.344 0.000 1.003 467 G CA 0.775 46.054 45.100 0.297 0.000 0.825 467 G HN 0.756 nan 8.290 nan 0.000 0.509 468 D N -0.233 120.363 120.400 0.327 0.000 2.308 468 D HA 0.288 4.928 4.640 0.000 0.000 0.242 468 D C 1.559 177.804 176.300 -0.092 0.000 1.059 468 D CA -0.585 53.492 54.000 0.129 0.000 0.830 468 D CB 0.748 41.590 40.800 0.070 0.000 1.161 468 D HN 0.367 nan 8.370 nan 0.000 0.494 469 K N 2.164 122.315 120.400 -0.416 0.000 2.439 469 K HA -0.002 4.318 4.320 0.000 0.000 0.197 469 K C -0.101 176.182 176.600 -0.528 0.000 1.041 469 K CA 0.314 55.995 56.287 -1.009 0.000 0.970 469 K CB -0.226 31.796 32.500 -0.796 0.000 0.773 469 K HN 0.174 nan 8.250 nan 0.000 0.479 470 N N 2.586 121.104 118.700 -0.304 0.000 2.895 470 N HA 0.009 4.749 4.740 0.000 0.000 0.277 470 N C 0.162 175.528 175.510 -0.241 0.000 1.185 470 N CA -0.403 52.478 53.050 -0.282 0.000 1.106 470 N CB 0.336 38.708 38.487 -0.192 0.000 1.422 470 N HN 0.419 nan 8.380 nan 0.000 0.521 471 H N -0.141 118.850 119.070 -0.132 0.000 2.518 471 H HA 0.008 4.564 4.556 0.000 0.000 0.289 471 H C 1.343 176.654 175.328 -0.030 0.000 1.051 471 H CA 1.087 57.095 56.048 -0.067 0.000 1.280 471 H CB 0.152 29.877 29.762 -0.062 0.000 1.380 471 H HN 0.414 nan 8.280 nan 0.000 0.566 472 A N 0.381 122.999 122.820 -0.337 0.000 2.345 472 A HA 0.080 4.400 4.320 0.000 0.000 0.225 472 A C 0.049 177.598 177.584 -0.058 0.000 1.243 472 A CA -0.246 51.724 52.037 -0.110 0.000 0.875 472 A CB -0.167 18.718 19.000 -0.193 0.000 0.929 472 A HN 0.291 nan 8.150 nan 0.000 0.502 473 D N 0.775 121.140 120.400 -0.058 0.000 2.472 473 D HA 0.264 4.904 4.640 0.000 0.000 0.248 473 D C 1.278 177.601 176.300 0.038 0.000 1.174 473 D CA 0.852 54.841 54.000 -0.018 0.000 0.883 473 D CB 1.144 41.933 40.800 -0.018 0.000 1.149 473 D HN 0.260 nan 8.370 nan 0.000 0.488 474 A N 3.400 126.256 122.820 0.060 0.000 2.209 474 A HA -0.116 4.204 4.320 0.000 0.000 0.212 474 A C 1.404 179.108 177.584 0.201 0.000 1.158 474 A CA 0.693 52.818 52.037 0.146 0.000 0.742 474 A CB 0.066 19.135 19.000 0.115 0.000 0.790 474 A HN 0.465 nan 8.150 nan 0.000 0.472 475 D N 0.013 120.475 120.400 0.104 0.000 2.347 475 D HA -0.015 4.625 4.640 0.000 0.000 0.213 475 D C 0.399 176.717 176.300 0.028 0.000 0.985 475 D CA 0.296 54.331 54.000 0.059 0.000 0.879 475 D CB 0.001 40.810 40.800 0.015 0.000 0.919 475 D HN 0.429 nan 8.370 nan 0.000 0.526 476 R N 0.899 121.430 120.500 0.052 0.000 2.347 476 R HA 0.356 4.697 4.340 0.000 0.000 0.304 476 R C -0.089 176.261 176.300 0.083 0.000 1.072 476 R CA 0.182 56.317 56.100 0.058 0.000 0.980 476 R CB 1.170 31.510 30.300 0.066 0.000 0.986 476 R HN -0.150 nan 8.270 nan 0.000 0.448 477 S N 2.486 118.245 115.700 0.098 0.000 2.535 477 S HA 0.315 4.786 4.470 0.000 0.000 0.272 477 S C -2.586 172.136 174.600 0.203 0.000 1.149 477 S CA -1.219 57.060 58.200 0.132 0.000 0.888 477 S CB 1.740 64.986 63.200 0.075 0.000 1.110 477 S HN 0.465 nan 8.310 nan 0.000 0.463 478 P HA 0.197 nan 4.420 nan 0.000 0.220 478 P C 0.916 178.412 177.300 0.327 0.000 1.778 478 P CA -0.147 63.155 63.100 0.337 0.000 0.912 478 P CB -0.142 31.816 31.700 0.431 0.000 1.861 479 V N -0.259 119.838 119.914 0.305 0.000 2.295 479 V HA -0.231 3.890 4.120 0.000 0.000 0.246 479 V C 2.089 178.361 176.094 0.296 0.000 1.049 479 V CA 1.723 64.217 62.300 0.322 0.000 1.024 479 V CB -1.337 30.750 31.823 0.441 0.000 0.648 479 V HN 0.169 nan 8.190 nan 0.000 0.447 480 F N 0.384 120.339 119.950 0.008 0.000 2.234 480 F HA -0.103 4.425 4.527 0.000 0.000 0.299 480 F C 2.021 177.768 175.800 -0.089 0.000 1.087 480 F CA 1.341 59.145 58.000 -0.327 0.000 1.340 480 F CB -0.254 38.504 39.000 -0.404 0.000 1.031 480 F HN 0.119 nan 8.300 nan 0.000 0.500 481 L N 0.638 121.890 121.223 0.049 0.000 2.017 481 L HA -0.220 4.120 4.340 0.000 0.000 0.208 481 L C 2.270 179.201 176.870 0.101 0.000 1.073 481 L CA 1.906 56.750 54.840 0.007 0.000 0.745 481 L CB -1.147 41.030 42.059 0.196 0.000 0.894 481 L HN 0.235 nan 8.230 nan 0.000 0.432 482 Q N -1.290 118.647 119.800 0.228 0.000 2.061 482 Q HA -0.259 4.081 4.340 0.000 0.000 0.204 482 Q C 2.199 178.255 176.000 0.092 0.000 0.984 482 Q CA 2.132 58.046 55.803 0.185 0.000 0.846 482 Q CB -0.511 28.276 28.738 0.081 0.000 0.902 482 Q HN 0.598 nan 8.270 nan 0.000 0.421 483 F N 1.645 121.541 119.950 -0.089 0.000 2.069 483 F HA -0.267 4.260 4.527 0.000 0.000 0.298 483 F C 1.904 177.577 175.800 -0.213 0.000 1.113 483 F CA 1.271 59.190 58.000 -0.136 0.000 1.214 483 F CB -0.315 38.522 39.000 -0.272 0.000 0.978 483 F HN -0.018 nan 8.300 nan 0.000 0.474 484 I N 0.790 120.934 120.570 -0.710 0.000 2.264 484 I HA -0.279 3.892 4.170 0.000 0.000 0.248 484 I C 2.334 178.225 176.117 -0.378 0.000 1.111 484 I CA 1.763 62.653 61.300 -0.684 0.000 1.382 484 I CB -1.547 36.136 38.000 -0.527 0.000 1.060 484 I HN 0.306 nan 8.210 nan 0.000 0.418 485 D N 0.750 121.093 120.400 -0.096 0.000 2.117 485 D HA -0.177 4.463 4.640 0.000 0.000 0.197 485 D C 2.280 178.568 176.300 -0.020 0.000 0.987 485 D CA 1.329 55.396 54.000 0.112 0.000 0.829 485 D CB 0.104 41.185 40.800 0.468 0.000 0.961 485 D HN 0.307 nan 8.370 nan 0.000 0.460 486 C N -0.074 119.172 119.300 -0.090 0.000 2.435 486 C HA -0.038 4.423 4.460 0.000 0.000 0.279 486 C C 2.952 177.810 174.990 -0.221 0.000 1.321 486 C CA 0.200 59.158 59.018 -0.101 0.000 1.752 486 C CB -0.825 26.886 27.740 -0.047 0.000 1.959 486 C HN 0.237 nan 8.230 nan 0.000 0.500 487 V N -0.649 119.022 119.914 -0.406 0.000 2.358 487 V HA -0.234 3.886 4.120 0.000 0.000 0.246 487 V C 2.123 177.941 176.094 -0.461 0.000 1.047 487 V CA 2.099 64.133 62.300 -0.442 0.000 1.035 487 V CB -0.741 30.747 31.823 -0.559 0.000 0.658 487 V HN 0.780 nan 8.190 nan 0.000 0.452 488 W N 1.006 121.907 121.300 -0.666 0.000 2.338 488 W HA -0.211 4.450 4.660 0.000 0.000 0.304 488 W C 2.539 178.735 176.519 -0.537 0.000 1.212 488 W CA 1.880 58.756 57.345 -0.781 0.000 1.264 488 W CB -0.296 28.262 29.460 -1.503 0.000 1.142 488 W HN 0.192 nan 8.180 nan 0.000 0.512 489 Q N -0.122 119.394 119.800 -0.474 0.000 2.112 489 Q HA -0.253 4.087 4.340 0.000 0.000 0.206 489 Q C 2.207 177.936 176.000 -0.451 0.000 0.987 489 Q CA 2.315 57.821 55.803 -0.494 0.000 0.858 489 Q CB -0.988 27.661 28.738 -0.149 0.000 0.905 489 Q HN 0.488 nan 8.270 nan 0.000 0.420 490 M N 0.306 119.718 119.600 -0.314 0.000 2.254 490 M HA -0.107 4.373 4.480 0.000 0.000 0.265 490 M C 2.327 178.554 176.300 -0.121 0.000 1.066 490 M CA 1.725 56.978 55.300 -0.079 0.000 1.123 490 M CB -0.536 32.102 32.600 0.062 0.000 1.388 490 M HN 0.294 nan 8.290 nan 0.000 0.425 491 T N -1.546 112.688 114.554 -0.534 0.000 2.821 491 T HA -0.063 4.287 4.350 0.000 0.000 0.267 491 T C 1.958 176.438 174.700 -0.367 0.000 1.046 491 T CA 0.652 62.481 62.100 -0.452 0.000 1.139 491 T CB -0.221 68.301 68.868 -0.576 0.000 0.871 491 T HN 0.195 nan 8.240 nan 0.000 0.454 492 R N 1.448 121.562 120.500 -0.642 0.000 2.066 492 R HA 0.069 4.410 4.340 0.000 0.000 0.232 492 R C 2.680 178.757 176.300 -0.373 0.000 1.131 492 R CA 1.411 57.173 56.100 -0.564 0.000 0.955 492 R CB -0.784 29.022 30.300 -0.824 0.000 0.851 492 R HN 0.623 nan 8.270 nan 0.000 0.432 493 Q N -0.877 118.684 119.800 -0.399 0.000 2.297 493 Q HA -0.022 4.318 4.340 0.000 0.000 0.204 493 Q C -0.303 175.192 176.000 -0.841 0.000 0.962 493 Q CA 0.807 56.260 55.803 -0.583 0.000 0.879 493 Q CB 0.259 28.609 28.738 -0.648 0.000 0.947 493 Q HN 0.185 nan 8.270 nan 0.000 0.462 494 F N -0.236 119.670 119.950 -0.073 0.000 2.872 494 F HA 0.259 4.786 4.527 0.000 0.000 0.365 494 F C -1.915 173.889 175.800 0.007 0.000 1.296 494 F CA -1.943 56.031 58.000 -0.044 0.000 1.199 494 F CB 1.366 40.255 39.000 -0.185 0.000 1.687 494 F HN -0.114 nan 8.300 nan 0.000 0.604 495 P HA -0.114 nan 4.420 nan 0.000 0.231 495 P C 1.043 178.407 177.300 0.107 0.000 1.158 495 P CA 1.317 64.456 63.100 0.065 0.000 0.763 495 P CB 0.093 31.802 31.700 0.015 0.000 0.805 496 T N -5.473 109.168 114.554 0.145 0.000 3.010 496 T HA 0.432 4.782 4.350 0.000 0.000 0.257 496 T C 1.768 176.536 174.700 0.114 0.000 1.020 496 T CA 0.411 62.584 62.100 0.123 0.000 0.938 496 T CB -0.298 68.623 68.868 0.088 0.000 1.049 496 T HN -0.052 nan 8.240 nan 0.000 0.522 497 A N 0.693 123.537 122.820 0.039 0.000 2.119 497 A HA 0.456 4.776 4.320 0.000 0.000 0.216 497 A C 0.211 177.515 177.584 -0.467 0.000 1.152 497 A CA 0.181 52.039 52.037 -0.298 0.000 0.708 497 A CB -0.496 18.017 19.000 -0.811 0.000 0.805 497 A HN 0.527 nan 8.150 nan 0.000 0.460 498 F N -1.107 118.778 119.950 -0.107 0.000 2.495 498 F HA 0.381 4.908 4.527 0.000 0.000 0.327 498 F C 1.130 176.573 175.800 -0.594 0.000 1.103 498 F CA -0.770 56.914 58.000 -0.527 0.000 0.949 498 F CB 1.618 39.954 39.000 -1.106 0.000 1.142 498 F HN 0.223 nan 8.300 nan 0.000 0.457 499 E N 2.843 122.467 120.200 -0.960 0.000 2.216 499 E HA -0.083 4.267 4.350 0.000 0.000 0.192 499 E C 0.186 176.503 176.600 -0.472 0.000 0.988 499 E CA 0.468 56.250 56.400 -1.031 0.000 0.834 499 E CB 0.162 29.118 29.700 -1.240 0.000 0.772 499 E HN 0.455 nan 8.360 nan 0.000 0.479 500 F N 1.285 121.009 119.950 -0.377 0.000 2.370 500 F HA 0.345 4.872 4.527 0.000 0.000 0.319 500 F C 0.126 175.856 175.800 -0.117 0.000 1.129 500 F CA -1.147 56.608 58.000 -0.409 0.000 1.109 500 F CB 0.131 38.534 39.000 -0.996 0.000 1.262 500 F HN -0.127 nan 8.300 nan 0.000 0.534 501 N N -0.667 118.238 118.700 0.343 0.000 2.592 501 N HA 0.213 4.953 4.740 0.000 0.000 0.292 501 N C 0.367 176.158 175.510 0.468 0.000 1.260 501 N CA -0.695 52.550 53.050 0.324 0.000 0.910 501 N CB 1.593 40.233 38.487 0.254 0.000 1.257 501 N HN 0.882 nan 8.380 nan 0.000 0.569 502 E N -0.246 120.194 120.200 0.399 0.000 2.058 502 E HA -0.311 4.039 4.350 0.000 0.000 0.194 502 E C 1.446 178.319 176.600 0.456 0.000 0.997 502 E CA 1.308 57.983 56.400 0.459 0.000 0.801 502 E CB -0.256 29.727 29.700 0.473 0.000 0.746 502 E HN 0.666 nan 8.360 nan 0.000 0.450 503 Y N 0.358 120.837 120.300 0.298 0.000 2.139 503 Y HA -0.310 4.241 4.550 0.000 0.000 0.282 503 Y C 1.954 178.104 175.900 0.417 0.000 1.179 503 Y CA 2.131 60.389 58.100 0.263 0.000 1.161 503 Y CB -0.668 37.874 38.460 0.137 0.000 0.970 503 Y HN 0.227 nan 8.280 nan 0.000 0.511 504 F N -0.075 120.115 119.950 0.399 0.000 2.095 504 F HA -0.253 4.274 4.527 0.000 0.000 0.298 504 F C 1.938 177.790 175.800 0.087 0.000 1.104 504 F CA 1.909 60.122 58.000 0.354 0.000 1.232 504 F CB -0.619 38.552 39.000 0.286 0.000 0.987 504 F HN 0.034 nan 8.300 nan 0.000 0.475 505 L N -0.123 121.155 121.223 0.091 0.000 2.056 505 L HA -0.212 4.128 4.340 0.000 0.000 0.207 505 L C 2.526 179.389 176.870 -0.013 0.000 1.078 505 L CA 1.371 56.173 54.840 -0.064 0.000 0.749 505 L CB -0.750 41.357 42.059 0.081 0.000 0.901 505 L HN 0.178 nan 8.230 nan 0.000 0.433 506 I N -0.454 120.164 120.570 0.079 0.000 2.286 506 I HA -0.249 3.921 4.170 0.000 0.000 0.248 506 I C 2.479 178.553 176.117 -0.073 0.000 1.115 506 I CA 1.343 62.625 61.300 -0.030 0.000 1.392 506 I CB -0.458 37.529 38.000 -0.022 0.000 1.065 506 I HN 0.272 nan 8.210 nan 0.000 0.418 507 T N 1.140 115.627 114.554 -0.112 0.000 2.746 507 T HA -0.099 4.251 4.350 0.000 0.000 0.267 507 T C 1.948 176.676 174.700 0.048 0.000 1.039 507 T CA 1.217 63.306 62.100 -0.018 0.000 1.142 507 T CB -0.186 68.707 68.868 0.043 0.000 0.866 507 T HN 0.243 nan 8.240 nan 0.000 0.444 508 I N 0.731 121.233 120.570 -0.113 0.000 2.226 508 I HA -0.142 4.028 4.170 0.000 0.000 0.245 508 I C 2.166 178.246 176.117 -0.062 0.000 1.100 508 I CA 1.273 62.530 61.300 -0.071 0.000 1.374 508 I CB -0.315 37.608 38.000 -0.129 0.000 1.057 508 I HN 0.224 nan 8.210 nan 0.000 0.413 509 L N -0.047 121.089 121.223 -0.146 0.000 2.217 509 L HA -0.189 4.151 4.340 0.000 0.000 0.211 509 L C 2.001 178.746 176.870 -0.209 0.000 1.107 509 L CA 0.934 55.617 54.840 -0.262 0.000 0.783 509 L CB -0.581 41.233 42.059 -0.408 0.000 0.919 509 L HN 0.244 nan 8.230 nan 0.000 0.442 510 D N -0.940 119.422 120.400 -0.063 0.000 2.123 510 D HA -0.143 4.497 4.640 0.000 0.000 0.200 510 D C 2.076 178.283 176.300 -0.156 0.000 0.976 510 D CA 1.184 55.148 54.000 -0.060 0.000 0.831 510 D CB -0.101 40.647 40.800 -0.087 0.000 0.974 510 D HN 0.361 nan 8.370 nan 0.000 0.469 511 H N -0.038 119.057 119.070 0.040 0.000 2.547 511 H HA 0.017 4.573 4.556 0.000 0.000 0.272 511 H C 2.047 177.437 175.328 0.103 0.000 0.989 511 H CA 0.083 56.203 56.048 0.120 0.000 1.214 511 H CB 0.324 30.210 29.762 0.207 0.000 1.389 511 H HN 0.098 nan 8.280 nan 0.000 0.577 512 L N 0.280 121.470 121.223 -0.054 0.000 2.083 512 L HA -0.179 4.161 4.340 0.000 0.000 0.209 512 L C 1.570 178.435 176.870 -0.008 0.000 1.083 512 L CA 1.647 56.305 54.840 -0.304 0.000 0.752 512 L CB -0.605 41.043 42.059 -0.685 0.000 0.899 512 L HN 0.132 nan 8.230 nan 0.000 0.433 513 Y N -1.318 119.052 120.300 0.117 0.000 2.479 513 Y HA -0.006 4.544 4.550 0.000 0.000 0.283 513 Y C 2.761 178.698 175.900 0.061 0.000 1.109 513 Y CA 0.330 58.509 58.100 0.133 0.000 1.239 513 Y CB -0.324 38.182 38.460 0.077 0.000 1.108 513 Y HN 0.334 nan 8.280 nan 0.000 0.548 514 S N -0.171 115.610 115.700 0.135 0.000 2.374 514 S HA -0.271 4.199 4.470 0.000 0.000 0.227 514 S C 1.310 175.968 174.600 0.097 0.000 1.037 514 S CA 0.979 59.201 58.200 0.037 0.000 1.024 514 S CB -1.135 62.037 63.200 -0.046 0.000 0.861 514 S HN 0.560 nan 8.310 nan 0.000 0.456 515 C N 0.124 119.474 119.300 0.083 0.000 4.432 515 C HA -0.113 4.347 4.460 0.000 0.000 0.294 515 C C 1.348 176.367 174.990 0.049 0.000 1.398 515 C CA 0.362 59.378 59.018 -0.003 0.000 1.988 515 C CB -3.099 24.609 27.740 -0.053 0.000 1.251 515 C HN 0.752 nan 8.230 nan 0.000 0.791 516 L N -0.481 120.756 121.223 0.023 0.000 2.131 516 L HA 0.313 4.653 4.340 0.000 0.000 0.206 516 L C 0.943 177.411 176.870 -0.670 0.000 1.087 516 L CA 1.895 56.509 54.840 -0.377 0.000 0.767 516 L CB -0.218 41.390 42.059 -0.752 0.000 0.917 516 L HN 0.358 nan 8.230 nan 0.000 0.441 517 F N -1.700 118.167 119.950 -0.138 0.000 2.509 517 F HA 0.528 5.055 4.527 0.000 0.000 0.334 517 F C 1.523 177.194 175.800 -0.215 0.000 1.060 517 F CA -0.326 57.553 58.000 -0.203 0.000 0.997 517 F CB 0.945 39.724 39.000 -0.368 0.000 1.271 517 F HN -0.233 nan 8.300 nan 0.000 0.488 518 G N -0.635 108.187 108.800 0.036 0.000 3.042 518 G HA2 0.012 3.972 3.960 0.000 0.000 0.212 518 G HA3 0.012 3.972 3.960 0.000 0.000 0.212 518 G C 1.142 176.048 174.900 0.010 0.000 1.166 518 G CA 0.226 45.337 45.100 0.018 0.000 0.767 518 G HN 0.654 nan 8.290 nan 0.000 0.546 519 T N 0.899 115.246 114.554 -0.345 0.000 2.699 519 T HA -0.132 4.218 4.350 0.000 0.000 0.268 519 T C 1.242 175.433 174.700 -0.848 0.000 1.036 519 T CA 0.945 62.565 62.100 -0.801 0.000 1.147 519 T CB -0.305 67.672 68.868 -1.486 0.000 0.862 519 T HN 0.354 nan 8.240 nan 0.000 0.446 520 F N 0.752 120.486 119.950 -0.360 0.000 2.750 520 F HA 0.418 4.945 4.527 0.000 0.000 0.297 520 F C 0.396 176.160 175.800 -0.060 0.000 1.138 520 F CA -0.641 57.077 58.000 -0.470 0.000 1.346 520 F CB -0.083 38.596 39.000 -0.535 0.000 0.965 520 F HN -0.003 nan 8.300 nan 0.000 0.514 521 L N -0.957 120.325 121.223 0.098 0.000 2.431 521 L HA 0.513 4.853 4.340 0.000 0.000 0.260 521 L C 0.672 177.684 176.870 0.236 0.000 1.098 521 L CA -0.812 54.149 54.840 0.201 0.000 0.800 521 L CB 0.898 43.013 42.059 0.092 0.000 1.210 521 L HN 0.183 nan 8.230 nan 0.000 0.465 522 C N 0.246 119.697 119.300 0.252 0.000 0.168 522 C HA -0.227 4.233 4.460 0.000 0.000 0.017 522 C C 1.202 176.299 174.990 0.178 0.000 0.171 522 C CA -0.380 58.746 59.018 0.180 0.000 0.499 522 C CB -0.971 26.848 27.740 0.132 0.000 3.212 522 C HN 1.042 nan 8.230 nan 0.000 1.118 523 N N 0.173 118.930 118.700 0.095 0.000 2.145 523 N HA 0.162 4.902 4.740 0.000 0.000 0.219 523 N C -0.210 175.314 175.510 0.022 0.000 1.266 523 N CA 0.948 54.012 53.050 0.022 0.000 0.902 523 N CB 0.753 39.188 38.487 -0.087 0.000 1.078 523 N HN 1.027 nan 8.380 nan 0.000 0.513 524 S N -1.277 114.455 115.700 0.054 0.000 2.588 524 S HA 0.294 4.764 4.470 0.000 0.000 0.269 524 S C 0.564 175.186 174.600 0.038 0.000 1.157 524 S CA -0.710 57.525 58.200 0.058 0.000 0.824 524 S CB 2.579 65.786 63.200 0.011 0.000 1.126 524 S HN -0.004 nan 8.310 nan 0.000 0.464 525 E N 0.506 120.730 120.200 0.041 0.000 2.051 525 E HA -0.242 4.108 4.350 0.000 0.000 0.192 525 E C 1.875 178.390 176.600 -0.142 0.000 0.991 525 E CA 1.505 57.925 56.400 0.032 0.000 0.799 525 E CB -0.227 29.550 29.700 0.128 0.000 0.748 525 E HN 0.705 nan 8.360 nan 0.000 0.449 526 Q N 0.253 119.776 119.800 -0.462 0.000 2.014 526 Q HA -0.295 4.046 4.340 0.000 0.000 0.207 526 Q C 2.260 178.089 176.000 -0.285 0.000 0.993 526 Q CA 2.220 57.565 55.803 -0.763 0.000 0.850 526 Q CB -0.079 28.097 28.738 -0.935 0.000 0.916 526 Q HN 0.410 nan 8.270 nan 0.000 0.417 527 Q N -0.267 119.435 119.800 -0.163 0.000 2.112 527 Q HA -0.200 4.140 4.340 0.000 0.000 0.206 527 Q C 2.172 178.156 176.000 -0.027 0.000 0.987 527 Q CA 1.614 57.379 55.803 -0.063 0.000 0.858 527 Q CB -0.173 28.554 28.738 -0.018 0.000 0.905 527 Q HN 0.371 nan 8.270 nan 0.000 0.420 528 R N -0.258 120.234 120.500 -0.014 0.000 2.148 528 R HA -0.082 4.259 4.340 0.000 0.000 0.227 528 R C 2.270 178.542 176.300 -0.046 0.000 1.103 528 R CA 0.972 57.070 56.100 -0.004 0.000 0.983 528 R CB -0.305 30.012 30.300 0.028 0.000 0.874 528 R HN 0.319 nan 8.270 nan 0.000 0.451 529 G N 1.379 110.154 108.800 -0.041 0.000 2.404 529 G HA2 -0.217 3.743 3.960 0.000 0.000 0.214 529 G HA3 -0.217 3.743 3.960 0.000 0.000 0.214 529 G C 1.200 176.087 174.900 -0.023 0.000 1.189 529 G CA 0.241 45.326 45.100 -0.025 0.000 0.789 529 G HN 0.197 nan 8.290 nan 0.000 0.533 530 K N 0.332 120.718 120.400 -0.023 0.000 2.152 530 K HA -0.053 4.267 4.320 0.000 0.000 0.206 530 K C 2.188 178.782 176.600 -0.010 0.000 1.048 530 K CA 1.095 57.375 56.287 -0.012 0.000 0.933 530 K CB 0.046 32.535 32.500 -0.017 0.000 0.721 530 K HN 0.200 nan 8.250 nan 0.000 0.447 531 E N 0.274 120.472 120.200 -0.003 0.000 2.385 531 E HA -0.062 4.288 4.350 0.000 0.000 0.194 531 E C 0.034 176.648 176.600 0.023 0.000 1.013 531 E CA 0.047 56.463 56.400 0.027 0.000 0.866 531 E CB -0.161 29.590 29.700 0.084 0.000 0.832 531 E HN 0.270 nan 8.360 nan 0.000 0.500 532 N N 0.941 119.618 118.700 -0.039 0.000 2.708 532 N HA -0.194 4.547 4.740 0.000 0.000 0.255 532 N C 0.653 176.075 175.510 -0.147 0.000 1.046 532 N CA 0.018 53.011 53.050 -0.095 0.000 0.715 532 N CB -0.995 37.458 38.487 -0.058 0.000 0.895 532 N HN 0.171 nan 8.380 nan 0.000 0.545 533 L N 0.013 121.086 121.223 -0.251 0.000 2.046 533 L HA -0.102 4.239 4.340 0.000 0.000 0.208 533 L C -0.630 175.731 176.870 -0.847 0.000 1.077 533 L CA 1.238 55.833 54.840 -0.409 0.000 0.747 533 L CB -1.171 40.663 42.059 -0.374 0.000 0.896 533 L HN 0.250 nan 8.230 nan 0.000 0.432 534 P HA -0.176 nan 4.420 nan 0.000 0.217 534 P C 1.303 178.217 177.300 -0.642 0.000 1.148 534 P CA 1.300 63.451 63.100 -1.582 0.000 0.828 534 P CB 0.075 31.268 31.700 -0.846 0.000 0.783 535 K N -1.423 118.766 120.400 -0.350 0.000 2.334 535 K HA 0.171 4.491 4.320 0.000 0.000 0.195 535 K C 1.801 178.363 176.600 -0.062 0.000 1.045 535 K CA 0.559 56.762 56.287 -0.139 0.000 1.004 535 K CB 0.207 32.651 32.500 -0.093 0.000 0.837 535 K HN 0.175 nan 8.250 nan 0.000 0.510 536 R N 0.516 120.981 120.500 -0.058 0.000 2.308 536 R HA 0.054 4.394 4.340 0.000 0.000 0.202 536 R C 0.618 176.924 176.300 0.009 0.000 0.898 536 R CA 0.425 56.557 56.100 0.053 0.000 1.046 536 R CB 0.683 31.114 30.300 0.218 0.000 1.026 536 R HN 0.136 nan 8.270 nan 0.000 0.512 537 T N -3.116 111.421 114.554 -0.027 0.000 2.865 537 T HA 0.509 4.860 4.350 0.000 0.000 0.294 537 T C -0.311 174.596 174.700 0.345 0.000 1.119 537 T CA -0.813 61.300 62.100 0.023 0.000 1.007 537 T CB 2.046 70.835 68.868 -0.132 0.000 1.225 537 T HN -0.250 nan 8.240 nan 0.000 0.515 538 V N 1.912 122.028 119.914 0.337 0.000 2.567 538 V HA 0.587 4.708 4.120 0.000 0.000 0.289 538 V C 0.779 177.017 176.094 0.240 0.000 1.049 538 V CA -0.671 61.877 62.300 0.414 0.000 0.969 538 V CB 1.561 33.684 31.823 0.500 0.000 0.995 538 V HN 1.103 nan 8.190 nan 0.000 0.471 539 S N 3.007 118.517 115.700 -0.317 0.000 2.545 539 S HA 0.208 4.679 4.470 0.000 0.000 0.275 539 S C 0.861 174.846 174.600 -1.026 0.000 1.299 539 S CA -0.608 56.928 58.200 -1.107 0.000 1.048 539 S CB 0.802 63.039 63.200 -1.606 0.000 0.938 539 S HN 0.685 nan 8.310 nan 0.000 0.496 540 L N 6.132 126.440 121.223 -1.526 0.000 2.079 540 L HA 0.023 4.363 4.340 0.000 0.000 0.210 540 L C 1.666 177.719 176.870 -1.362 0.000 1.081 540 L CA 1.873 55.451 54.840 -2.103 0.000 0.752 540 L CB -0.778 40.154 42.059 -1.879 0.000 0.896 540 L HN 0.903 nan 8.230 nan 0.000 0.433 541 W N -0.862 119.963 121.300 -0.792 0.000 2.392 541 W HA -0.148 4.512 4.660 0.000 0.000 0.279 541 W C 2.566 178.769 176.519 -0.525 0.000 1.225 541 W CA 0.437 57.443 57.345 -0.565 0.000 1.233 541 W CB -0.659 28.545 29.460 -0.427 0.000 1.122 541 W HN 0.089 nan 8.180 nan 0.000 0.561 542 S N 0.016 115.469 115.700 -0.412 0.000 2.368 542 S HA -0.283 4.188 4.470 0.000 0.000 0.225 542 S C 1.502 175.685 174.600 -0.695 0.000 1.030 542 S CA 1.657 59.630 58.200 -0.377 0.000 0.999 542 S CB -0.783 62.254 63.200 -0.271 0.000 0.844 542 S HN 0.415 nan 8.310 nan 0.000 0.459 543 Y N 2.011 121.619 120.300 -1.153 0.000 2.133 543 Y HA -0.013 4.538 4.550 0.000 0.000 0.287 543 Y C 1.895 177.530 175.900 -0.443 0.000 1.134 543 Y CA 0.947 58.367 58.100 -1.132 0.000 1.133 543 Y CB -0.656 37.328 38.460 -0.793 0.000 0.987 543 Y HN 0.156 nan 8.280 nan 0.000 0.502 544 I N 0.877 120.955 120.570 -0.819 0.000 2.127 544 I HA -0.395 3.776 4.170 0.000 0.000 0.241 544 I C 1.898 177.773 176.117 -0.403 0.000 1.075 544 I CA 2.227 63.017 61.300 -0.850 0.000 1.334 544 I CB -0.582 37.025 38.000 -0.656 0.000 1.040 544 I HN 0.379 nan 8.210 nan 0.000 0.405 545 N N -0.052 118.514 118.700 -0.224 0.000 2.381 545 N HA -0.084 4.656 4.740 0.000 0.000 0.182 545 N C 0.965 176.460 175.510 -0.025 0.000 1.025 545 N CA 0.561 53.559 53.050 -0.087 0.000 0.888 545 N CB 0.032 38.486 38.487 -0.056 0.000 0.965 545 N HN 0.142 nan 8.380 nan 0.000 0.438 546 S N 0.428 116.112 115.700 -0.026 0.000 2.871 546 S HA 0.096 4.566 4.470 0.000 0.000 0.254 546 S C 0.770 175.435 174.600 0.109 0.000 1.088 546 S CA 0.228 58.482 58.200 0.091 0.000 1.166 546 S CB 0.229 63.563 63.200 0.223 0.000 0.826 546 S HN 0.301 nan 8.310 nan 0.000 0.471 547 Q N -0.588 119.263 119.800 0.086 0.000 1.692 547 Q HA 0.283 4.623 4.340 0.000 0.000 0.181 547 Q C 1.177 177.313 176.000 0.228 0.000 0.663 547 Q CA 0.012 55.909 55.803 0.156 0.000 0.747 547 Q CB -0.460 28.375 28.738 0.163 0.000 1.202 547 Q HN 0.368 nan 8.270 nan 0.000 0.392 548 L N 1.668 123.028 121.223 0.228 0.000 2.539 548 L HA -0.519 3.821 4.340 0.000 0.000 0.223 548 L C 2.062 179.054 176.870 0.203 0.000 1.139 548 L CA 2.539 57.507 54.840 0.214 0.000 0.854 548 L CB -1.497 40.614 42.059 0.086 0.000 0.954 548 L HN 0.489 nan 8.230 nan 0.000 0.445 549 E N 0.141 120.410 120.200 0.114 0.000 2.095 549 E HA -0.321 4.030 4.350 0.000 0.000 0.212 549 E C 1.541 178.136 176.600 -0.008 0.000 1.044 549 E CA 2.379 58.809 56.400 0.050 0.000 0.857 549 E CB -0.895 28.820 29.700 0.025 0.000 0.764 549 E HN 0.667 nan 8.360 nan 0.000 0.462 550 D N -0.071 120.263 120.400 -0.111 0.000 2.219 550 D HA -0.072 4.568 4.640 0.000 0.000 0.205 550 D C 1.370 177.420 176.300 -0.417 0.000 0.970 550 D CA 0.844 54.588 54.000 -0.426 0.000 0.851 550 D CB -0.150 40.233 40.800 -0.694 0.000 0.943 550 D HN 0.281 nan 8.370 nan 0.000 0.488 551 F N 0.136 120.205 119.950 0.200 0.000 2.653 551 F HA 0.181 4.708 4.527 0.000 0.000 0.304 551 F C 0.900 176.756 175.800 0.094 0.000 1.092 551 F CA -0.162 57.993 58.000 0.260 0.000 1.279 551 F CB 0.271 39.465 39.000 0.324 0.000 1.044 551 F HN -0.391 nan 8.300 nan 0.000 0.564 552 T N 0.910 115.558 114.554 0.158 0.000 2.882 552 T HA 0.150 4.500 4.350 0.000 0.000 0.287 552 T C -0.269 174.463 174.700 0.054 0.000 0.992 552 T CA -0.469 61.669 62.100 0.064 0.000 1.076 552 T CB 0.857 69.750 68.868 0.041 0.000 0.961 552 T HN 0.005 nan 8.240 nan 0.000 0.490 553 N N 3.750 122.464 118.700 0.024 0.000 2.426 553 N HA 0.269 5.009 4.740 0.000 0.000 0.257 553 N C -1.216 174.337 175.510 0.072 0.000 1.002 553 N CA -2.310 50.767 53.050 0.046 0.000 0.942 553 N CB 1.315 39.816 38.487 0.022 0.000 1.112 553 N HN 0.185 nan 8.380 nan 0.000 0.499 554 P HA -0.124 nan 4.420 nan 0.000 0.220 554 P C 0.905 178.245 177.300 0.067 0.000 1.148 554 P CA 1.046 64.182 63.100 0.059 0.000 0.803 554 P CB 0.402 32.124 31.700 0.037 0.000 0.782 555 L N -2.372 118.893 121.223 0.071 0.000 2.599 555 L HA 0.063 4.403 4.340 0.000 0.000 0.230 555 L C 1.544 178.454 176.870 0.068 0.000 1.141 555 L CA -0.289 54.584 54.840 0.056 0.000 0.877 555 L CB -0.843 41.246 42.059 0.050 0.000 1.009 555 L HN -0.038 nan 8.230 nan 0.000 0.447 556 Y N 0.471 120.759 120.300 -0.020 0.000 2.426 556 Y HA 0.345 4.896 4.550 0.000 0.000 0.344 556 Y C 1.299 177.184 175.900 -0.025 0.000 1.256 556 Y CA 0.943 59.022 58.100 -0.034 0.000 1.451 556 Y CB 1.049 39.471 38.460 -0.063 0.000 1.342 556 Y HN 0.102 nan 8.280 nan 0.000 0.600 557 G N 0.990 108.999 108.800 -1.318 0.000 2.391 557 G HA2 -0.320 3.640 3.960 0.000 0.000 0.204 557 G HA3 -0.320 3.640 3.960 0.000 0.000 0.204 557 G C 1.020 175.608 174.900 -0.520 0.000 1.012 557 G CA 0.465 45.004 45.100 -0.936 0.000 0.651 557 G HN 1.231 nan 8.290 nan 0.000 0.494 558 S N -0.709 114.781 115.700 -0.350 0.000 2.562 558 S HA 0.214 4.684 4.470 0.000 0.000 0.221 558 S C 1.049 175.497 174.600 -0.253 0.000 0.975 558 S CA 0.531 58.587 58.200 -0.241 0.000 0.918 558 S CB -0.176 62.926 63.200 -0.164 0.000 0.772 558 S HN 0.606 nan 8.310 nan 0.000 0.531 559 Y N 3.895 124.004 120.300 -0.318 0.000 2.734 559 Y HA 0.196 4.747 4.550 0.000 0.000 0.353 559 Y C 1.720 177.339 175.900 -0.468 0.000 1.244 559 Y CA -0.277 57.644 58.100 -0.298 0.000 1.950 559 Y CB -0.463 37.847 38.460 -0.249 0.000 2.028 559 Y HN 0.510 nan 8.280 nan 0.000 0.421 560 S N 0.427 115.801 115.700 -0.544 0.000 2.368 560 S HA -0.222 4.249 4.470 0.000 0.000 0.225 560 S C 0.875 175.017 174.600 -0.763 0.000 1.030 560 S CA 0.783 58.605 58.200 -0.630 0.000 0.999 560 S CB -0.405 62.569 63.200 -0.378 0.000 0.844 560 S HN 0.649 nan 8.310 nan 0.000 0.459 561 N N 1.609 119.936 118.700 -0.622 0.000 2.416 561 N HA 0.066 4.806 4.740 0.000 0.000 0.271 561 N C 0.420 175.886 175.510 -0.072 0.000 1.245 561 N CA -0.005 52.823 53.050 -0.371 0.000 0.940 561 N CB 0.179 38.420 38.487 -0.411 0.000 1.175 561 N HN 0.249 nan 8.380 nan 0.000 0.483 562 H N 1.790 120.878 119.070 0.030 0.000 2.551 562 H HA 0.153 4.709 4.556 0.000 0.000 0.266 562 H C -0.192 175.078 175.328 -0.095 0.000 0.977 562 H CA 0.319 56.369 56.048 0.003 0.000 1.163 562 H CB 0.498 30.252 29.762 -0.014 0.000 1.381 562 H HN 0.183 nan 8.280 nan 0.000 0.581 563 V N 2.791 122.679 119.914 -0.043 0.000 2.334 563 V HA 0.153 4.273 4.120 0.000 0.000 0.281 563 V C 0.215 175.974 176.094 -0.559 0.000 1.016 563 V CA -0.541 61.560 62.300 -0.332 0.000 0.832 563 V CB 1.806 33.396 31.823 -0.389 0.000 0.999 563 V HN 0.111 nan 8.190 nan 0.000 0.439 564 L N 5.677 126.510 121.223 -0.651 0.000 2.367 564 L HA 0.357 4.697 4.340 0.000 0.000 0.275 564 L C -0.733 175.759 176.870 -0.631 0.000 1.129 564 L CA 0.065 54.393 54.840 -0.854 0.000 0.839 564 L CB 0.346 41.852 42.059 -0.922 0.000 1.133 564 L HN 0.612 nan 8.230 nan 0.000 0.453 565 Y N 4.117 124.255 120.300 -0.270 0.000 2.705 565 Y HA 0.241 4.792 4.550 0.000 0.000 0.355 565 Y C -1.768 174.260 175.900 0.213 0.000 1.039 565 Y CA -2.097 55.995 58.100 -0.013 0.000 1.233 565 Y CB 1.018 39.488 38.460 0.015 0.000 1.103 565 Y HN 0.487 nan 8.280 nan 0.000 0.624 566 P HA 0.075 nan 4.420 nan 0.000 0.273 566 P C -0.465 176.911 177.300 0.127 0.000 1.250 566 P CA -0.109 63.210 63.100 0.365 0.000 0.793 566 P CB 1.855 33.722 31.700 0.278 0.000 1.011 567 V N 0.547 120.449 119.914 -0.020 0.000 2.347 567 V HA 0.402 4.523 4.120 0.000 0.000 0.280 567 V C 0.689 176.724 176.094 -0.098 0.000 1.021 567 V CA -0.662 61.540 62.300 -0.163 0.000 0.847 567 V CB 0.712 32.215 31.823 -0.533 0.000 0.990 567 V HN 0.712 nan 8.190 nan 0.000 0.444 568 A N 4.130 126.918 122.820 -0.054 0.000 2.798 568 A HA 0.671 4.991 4.320 0.000 0.000 0.316 568 A C 0.310 177.899 177.584 0.009 0.000 1.506 568 A CA 0.007 52.040 52.037 -0.007 0.000 1.162 568 A CB 0.118 19.118 19.000 -0.001 0.000 1.138 568 A HN 0.818 nan 8.150 nan 0.000 0.532 569 S N 1.736 117.473 115.700 0.061 0.000 2.564 569 S HA 0.479 4.949 4.470 0.000 0.000 0.274 569 S C 0.500 175.180 174.600 0.132 0.000 1.124 569 S CA -0.512 57.763 58.200 0.125 0.000 0.869 569 S CB 1.350 64.712 63.200 0.270 0.000 1.105 569 S HN 0.511 nan 8.310 nan 0.000 0.472 570 M N 2.541 122.194 119.600 0.089 0.000 2.549 570 M HA 0.260 4.740 4.480 0.000 0.000 0.260 570 M C 1.609 177.938 176.300 0.048 0.000 1.076 570 M CA 1.396 56.731 55.300 0.058 0.000 1.090 570 M CB -0.260 32.358 32.600 0.028 0.000 1.418 570 M HN 0.714 nan 8.290 nan 0.000 0.486 571 R N -2.041 118.489 120.500 0.050 0.000 2.254 571 R HA 0.113 4.453 4.340 0.000 0.000 0.195 571 R C 1.242 177.402 176.300 -0.235 0.000 0.957 571 R CA 0.616 56.662 56.100 -0.090 0.000 1.024 571 R CB 0.091 30.296 30.300 -0.160 0.000 0.952 571 R HN 0.521 nan 8.270 nan 0.000 0.484 572 H N -0.993 118.078 119.070 0.001 0.000 2.740 572 H HA 0.208 4.765 4.556 0.000 0.000 0.265 572 H C 0.100 175.417 175.328 -0.018 0.000 0.978 572 H CA 0.058 56.093 56.048 -0.020 0.000 1.198 572 H CB 0.909 30.649 29.762 -0.037 0.000 1.467 572 H HN -0.004 nan 8.280 nan 0.000 0.511 573 L N 1.971 123.265 121.223 0.118 0.000 2.322 573 L HA 0.292 4.632 4.340 0.000 0.000 0.279 573 L C -0.011 176.949 176.870 0.150 0.000 1.036 573 L CA -0.373 54.533 54.840 0.110 0.000 0.807 573 L CB 1.895 44.022 42.059 0.112 0.000 1.226 573 L HN 0.078 nan 8.230 nan 0.000 0.433 574 E N 1.568 121.904 120.200 0.227 0.000 2.299 574 E HA 0.481 4.832 4.350 0.000 0.000 0.260 574 E C -1.268 175.606 176.600 0.458 0.000 0.944 574 E CA -1.052 55.540 56.400 0.320 0.000 0.815 574 E CB 2.599 32.507 29.700 0.346 0.000 1.252 574 E HN 0.261 nan 8.360 nan 0.000 0.418 575 L N 1.796 123.293 121.223 0.456 0.000 2.290 575 L HA 0.216 4.556 4.340 0.000 0.000 0.284 575 L C -0.783 176.416 176.870 0.548 0.000 1.078 575 L CA -0.232 54.912 54.840 0.506 0.000 0.815 575 L CB 0.368 42.726 42.059 0.499 0.000 1.162 575 L HN 0.590 nan 8.230 nan 0.000 0.435 576 W N 6.317 127.803 121.300 0.310 0.000 1.551 576 W HA 0.093 4.754 4.660 0.000 0.000 0.534 576 W C 0.706 177.149 176.519 -0.128 0.000 0.678 576 W CA -0.197 56.993 57.345 -0.260 0.000 2.245 576 W CB -0.603 28.544 29.460 -0.522 0.000 1.543 576 W HN 0.507 nan 8.180 nan 0.000 0.203 577 V N 4.178 124.179 119.914 0.146 0.000 2.324 577 V HA -0.324 3.796 4.120 0.000 0.000 0.250 577 V C 2.528 178.481 176.094 -0.235 0.000 1.060 577 V CA 2.515 64.811 62.300 -0.007 0.000 1.042 577 V CB -1.389 30.453 31.823 0.032 0.000 0.650 577 V HN 0.613 nan 8.190 nan 0.000 0.450 578 G N -2.034 106.620 108.800 -0.244 0.000 2.507 578 G HA2 -0.345 3.615 3.960 0.000 0.000 0.221 578 G HA3 -0.345 3.615 3.960 0.000 0.000 0.221 578 G C 1.500 175.943 174.900 -0.762 0.000 1.119 578 G CA 1.585 46.463 45.100 -0.370 0.000 0.751 578 G HN 0.619 nan 8.290 nan 0.000 0.574 579 Y N -0.936 118.494 120.300 -1.449 0.000 2.422 579 Y HA 0.272 4.823 4.550 0.000 0.000 0.291 579 Y C 2.334 177.632 175.900 -1.004 0.000 1.144 579 Y CA 0.262 57.466 58.100 -1.492 0.000 1.208 579 Y CB 0.174 37.178 38.460 -2.427 0.000 1.195 579 Y HN 0.167 nan 8.280 nan 0.000 0.535 580 Y N 0.188 120.155 120.300 -0.554 0.000 2.571 580 Y HA 0.097 4.647 4.550 0.000 0.000 0.294 580 Y C 0.662 176.358 175.900 -0.340 0.000 1.141 580 Y CA 0.873 58.746 58.100 -0.378 0.000 1.308 580 Y CB 0.155 38.536 38.460 -0.131 0.000 1.002 580 Y HN 0.023 nan 8.280 nan 0.000 0.551 581 I N 0.551 120.948 120.570 -0.289 0.000 3.007 581 I HA 0.159 4.329 4.170 0.000 0.000 0.333 581 I C 0.696 176.600 176.117 -0.354 0.000 1.489 581 I CA -0.047 61.130 61.300 -0.206 0.000 0.906 581 I CB 0.318 38.251 38.000 -0.112 0.000 1.702 581 I HN 0.091 nan 8.210 nan 0.000 0.548 582 R N -0.630 119.455 120.500 -0.692 0.000 2.359 582 R HA 0.172 4.512 4.340 0.000 0.000 0.231 582 R C 0.512 176.445 176.300 -0.612 0.000 0.913 582 R CA -0.113 55.550 56.100 -0.727 0.000 1.075 582 R CB -0.195 29.532 30.300 -0.954 0.000 1.087 582 R HN 0.448 nan 8.270 nan 0.000 0.515 583 W N 0.629 121.886 121.300 -0.071 0.000 2.996 583 W HA 0.222 4.882 4.660 0.000 0.000 0.270 583 W C 0.305 176.745 176.519 -0.130 0.000 1.280 583 W CA -0.904 56.460 57.345 0.032 0.000 1.549 583 W CB 0.177 29.818 29.460 0.303 0.000 1.079 583 W HN 0.046 nan 8.180 nan 0.000 0.629 584 N N 2.176 120.697 118.700 -0.298 0.000 2.438 584 N HA 0.035 4.775 4.740 0.000 0.000 0.267 584 N C -1.997 173.233 175.510 -0.466 0.000 1.222 584 N CA -0.848 51.647 53.050 -0.926 0.000 0.930 584 N CB 0.872 38.778 38.487 -0.968 0.000 1.083 584 N HN -0.194 nan 8.380 nan 0.000 0.476 585 P HA 0.049 nan 4.420 nan 0.000 0.269 585 P C -0.475 176.731 177.300 -0.156 0.000 1.461 585 P CA -0.057 62.948 63.100 -0.159 0.000 0.809 585 P CB -0.076 31.622 31.700 -0.003 0.000 1.503 586 R N 0.000 120.367 120.500 -0.222 0.000 2.786 586 R HA 0.000 4.340 4.340 0.000 0.000 0.208 586 R CA 0.000 56.005 56.100 -0.158 0.000 0.921 586 R CB 0.000 30.221 30.300 -0.131 0.000 0.687 586 R HN 0.000 nan 8.270 nan 0.000 0.535