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 3lt4_1_A DATA FIRST_RESID 97 DATA SEQUENCE EDICFIAGIG DTNGYGWGIA KELSKRNVKI IFGIWPPVYN IFMKNYKNGK DATA SEQUENCE FDNDMIIDKD KKMNILDMLP FDASFDTAND IDEETKNNKR YNMLQNYTIE DATA SEQUENCE DVANLIHQKY GKINMLVHSL ANAKEVQKDL LNTSRKGYLD ALSKSSYSLI DATA SEQUENCE SLCKYFVNIM KPQSSIISLT YHASQKVVPG YGGGMSSAKA ALESDTRVLA DATA SEQUENCE YHLGRNYNIR INTISAGPLK SRAATAINXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX TFIDYAIEYS EKYAPLRQKL LSTDIGSVAS DATA SEQUENCE FLLSRESRAI TGQTIYVDNG LNIMFLPD 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 97 E HA 0.000 nan 4.350 nan 0.000 0.291 97 E C 0.000 176.602 176.600 0.003 0.000 1.382 97 E CA 0.000 56.401 56.400 0.002 0.000 0.976 97 E CB 0.000 nan 29.700 nan 0.000 0.812 98 D N 0.424 120.822 120.400 -0.002 0.000 2.308 98 D HA 0.537 5.177 4.640 -0.000 0.000 0.251 98 D C 0.325 176.621 176.300 -0.007 0.000 1.127 98 D CA 0.002 54.001 54.000 -0.001 0.000 0.876 98 D CB 1.440 42.237 40.800 -0.004 0.000 1.176 98 D HN 0.562 nan 8.370 nan 0.000 0.446 99 I N 1.363 121.936 120.570 0.006 0.000 2.498 99 I HA 0.264 4.434 4.170 -0.000 0.000 0.290 99 I C -0.455 175.682 176.117 0.034 0.000 1.032 99 I CA -0.837 60.465 61.300 0.003 0.000 1.073 99 I CB 2.258 40.262 38.000 0.006 0.000 1.251 99 I HN 0.225 nan 8.210 nan 0.000 0.426 100 C N 6.785 126.104 119.300 0.032 0.000 2.369 100 C HA 0.513 4.973 4.460 -0.000 0.000 0.322 100 C C -0.447 174.619 174.990 0.127 0.000 1.258 100 C CA -0.687 58.364 59.018 0.056 0.000 1.487 100 C CB 0.409 28.152 27.740 0.006 0.000 2.165 100 C HN 0.734 nan 8.230 nan 0.000 0.483 101 F N 6.975 126.909 119.950 -0.028 0.000 2.411 101 F HA 0.652 5.179 4.527 0.000 0.000 0.350 101 F C -0.137 175.582 175.800 -0.136 0.000 1.114 101 F CA -0.533 57.432 58.000 -0.059 0.000 1.135 101 F CB 0.532 39.498 39.000 -0.056 0.000 1.120 101 F HN 0.475 nan 8.300 nan 0.000 0.495 102 I N 7.124 127.312 120.570 -0.638 0.000 2.371 102 I HA 0.318 4.488 4.170 -0.000 0.000 0.282 102 I C -0.262 175.226 176.117 -1.047 0.000 1.031 102 I CA -0.687 60.222 61.300 -0.651 0.000 1.180 102 I CB 1.252 39.063 38.000 -0.314 0.000 1.336 102 I HN 0.663 nan 8.210 nan 0.000 0.467 103 A N 4.849 126.969 122.820 -1.167 0.000 2.310 103 A HA 0.672 4.992 4.320 -0.000 0.000 0.300 103 A C 0.836 178.090 177.584 -0.551 0.000 1.269 103 A CA 0.084 51.473 52.037 -1.080 0.000 0.909 103 A CB 0.113 18.383 19.000 -1.217 0.000 1.144 103 A HN 1.091 nan 8.150 nan 0.000 0.540 104 G N 2.183 110.765 108.800 -0.363 0.000 2.441 104 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.139 104 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.139 104 G C -0.483 174.274 174.900 -0.239 0.000 1.067 104 G CA -0.424 44.533 45.100 -0.239 0.000 0.766 104 G HN 0.680 nan 8.290 nan 0.000 0.484 105 I N 0.880 121.272 120.570 -0.296 0.000 2.354 105 I HA 0.581 4.751 4.170 -0.000 0.000 0.292 105 I C 1.280 177.213 176.117 -0.305 0.000 0.989 105 I CA 0.060 61.145 61.300 -0.358 0.000 1.188 105 I CB 1.859 39.445 38.000 -0.691 0.000 1.342 105 I HN 0.179 nan 8.210 nan 0.000 0.457 106 G N 4.002 112.723 108.800 -0.131 0.000 2.815 106 G HA2 0.249 4.209 3.960 -0.000 0.000 0.215 106 G HA3 0.249 4.209 3.960 -0.000 0.000 0.215 106 G C -0.307 174.739 174.900 0.244 0.000 1.054 106 G CA 0.266 45.386 45.100 0.034 0.000 0.832 106 G HN 0.700 nan 8.290 nan 0.000 0.557 107 D N -2.376 118.095 120.400 0.118 0.000 3.024 107 D HA 0.164 4.804 4.640 -0.000 0.000 0.354 107 D C 0.530 176.584 176.300 -0.409 0.000 1.431 107 D CA 0.356 54.305 54.000 -0.084 0.000 0.842 107 D CB -0.147 40.623 40.800 -0.050 0.000 1.437 107 D HN -0.021 nan 8.370 nan 0.000 0.507 108 T N -3.239 110.864 114.554 -0.751 0.000 3.105 108 T HA 0.240 4.590 4.350 -0.000 0.000 0.253 108 T C 0.174 174.559 174.700 -0.525 0.000 1.047 108 T CA -0.175 61.241 62.100 -1.141 0.000 0.944 108 T CB -0.494 67.373 68.868 -1.668 0.000 1.016 108 T HN 0.330 nan 8.240 nan 0.000 0.544 109 N N 1.119 119.649 118.700 -0.283 0.000 2.236 109 N HA 0.246 4.986 4.740 -0.000 0.000 0.196 109 N C 0.880 176.301 175.510 -0.149 0.000 1.114 109 N CA 0.068 53.013 53.050 -0.175 0.000 0.859 109 N CB 0.926 39.331 38.487 -0.137 0.000 0.982 109 N HN 0.614 nan 8.380 nan 0.000 0.493 110 G N -0.917 107.813 108.800 -0.116 0.000 2.887 110 G HA2 0.298 4.258 3.960 -0.000 0.000 0.277 110 G HA3 0.298 4.258 3.960 -0.000 0.000 0.277 110 G C -0.007 174.838 174.900 -0.091 0.000 1.346 110 G CA -0.311 44.699 45.100 -0.150 0.000 1.058 110 G HN -0.045 nan 8.290 nan 0.000 0.535 111 Y N 0.542 120.839 120.300 -0.004 0.000 2.373 111 Y HA 0.048 4.598 4.550 -0.000 0.000 0.293 111 Y C 2.854 178.734 175.900 -0.034 0.000 1.129 111 Y CA 1.045 59.142 58.100 -0.006 0.000 1.226 111 Y CB -0.465 37.985 38.460 -0.015 0.000 1.000 111 Y HN 0.509 nan 8.280 nan 0.000 0.549 112 G N -0.249 108.590 108.800 0.066 0.000 2.446 112 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.217 112 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.217 112 G C 1.684 176.526 174.900 -0.096 0.000 1.168 112 G CA 0.758 45.812 45.100 -0.077 0.000 0.771 112 G HN 0.538 nan 8.290 nan 0.000 0.551 113 W N 1.831 123.007 121.300 -0.206 0.000 2.355 113 W HA -0.082 4.578 4.660 0.000 0.000 0.309 113 W C 2.407 178.888 176.519 -0.064 0.000 1.206 113 W CA 1.644 58.880 57.345 -0.181 0.000 1.284 113 W CB -0.558 28.799 29.460 -0.172 0.000 1.145 113 W HN 0.241 nan 8.180 nan 0.000 0.502 114 G N 1.057 109.950 108.800 0.155 0.000 2.442 114 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.219 114 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.219 114 G C 1.560 176.460 174.900 -0.001 0.000 1.141 114 G CA 1.354 46.515 45.100 0.102 0.000 0.763 114 G HN 0.308 nan 8.290 nan 0.000 0.554 115 I N 1.254 121.816 120.570 -0.014 0.000 2.252 115 I HA -0.124 4.046 4.170 -0.000 0.000 0.245 115 I C 3.287 179.340 176.117 -0.106 0.000 1.102 115 I CA 0.862 62.132 61.300 -0.050 0.000 1.385 115 I CB -0.218 37.748 38.000 -0.056 0.000 1.064 115 I HN 0.237 nan 8.210 nan 0.000 0.414 116 A N 0.895 123.602 122.820 -0.187 0.000 1.883 116 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 116 A C 2.338 179.780 177.584 -0.237 0.000 1.186 116 A CA 1.776 53.688 52.037 -0.209 0.000 0.624 116 A CB -0.503 18.316 19.000 -0.302 0.000 0.822 116 A HN 0.303 nan 8.150 nan 0.000 0.444 117 K N -0.624 119.580 120.400 -0.326 0.000 2.009 117 K HA -0.157 4.163 4.320 -0.000 0.000 0.210 117 K C 2.057 178.600 176.600 -0.094 0.000 1.049 117 K CA 1.506 57.663 56.287 -0.216 0.000 0.929 117 K CB -0.196 32.218 32.500 -0.144 0.000 0.714 117 K HN 0.439 nan 8.250 nan 0.000 0.440 118 E N 0.967 121.130 120.200 -0.062 0.000 2.077 118 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 118 E C 2.157 178.742 176.600 -0.025 0.000 0.989 118 E CA 0.967 57.352 56.400 -0.024 0.000 0.800 118 E CB -0.222 29.476 29.700 -0.003 0.000 0.746 118 E HN 0.309 nan 8.360 nan 0.000 0.452 119 L N 0.613 121.812 121.223 -0.040 0.000 2.131 119 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 119 L C 2.603 179.452 176.870 -0.035 0.000 1.092 119 L CA 0.757 55.577 54.840 -0.032 0.000 0.759 119 L CB -0.302 41.734 42.059 -0.039 0.000 0.903 119 L HN 0.033 nan 8.230 nan 0.000 0.435 120 S N -0.455 115.214 115.700 -0.051 0.000 2.382 120 S HA -0.168 4.302 4.470 -0.000 0.000 0.228 120 S C 1.959 176.544 174.600 -0.026 0.000 1.027 120 S CA 1.120 59.291 58.200 -0.047 0.000 0.991 120 S CB -0.010 63.150 63.200 -0.068 0.000 0.823 120 S HN 0.306 nan 8.310 nan 0.000 0.469 121 K N 0.528 120.917 120.400 -0.018 0.000 2.113 121 K HA -0.062 4.258 4.320 -0.000 0.000 0.208 121 K C 1.938 178.538 176.600 -0.001 0.000 1.047 121 K CA 1.072 57.357 56.287 -0.004 0.000 0.928 121 K CB -0.106 32.395 32.500 0.002 0.000 0.716 121 K HN 0.193 nan 8.250 nan 0.000 0.446 122 R N 0.528 121.026 120.500 -0.003 0.000 2.310 122 R HA 0.042 4.382 4.340 -0.000 0.000 0.202 122 R C -0.139 176.158 176.300 -0.004 0.000 0.933 122 R CA 0.096 56.196 56.100 0.001 0.000 1.054 122 R CB 0.036 30.338 30.300 0.004 0.000 0.985 122 R HN 0.259 nan 8.270 nan 0.000 0.489 123 N N -0.074 118.619 118.700 -0.010 0.000 2.776 123 N HA -0.138 4.602 4.740 -0.000 0.000 0.249 123 N C -0.785 174.713 175.510 -0.021 0.000 1.111 123 N CA 0.661 53.702 53.050 -0.014 0.000 0.711 123 N CB -1.535 36.948 38.487 -0.008 0.000 1.065 123 N HN -0.040 nan 8.380 nan 0.000 0.556 124 V N 0.886 120.785 119.914 -0.025 0.000 2.583 124 V HA 0.112 4.232 4.120 -0.000 0.000 0.287 124 V C 1.066 177.132 176.094 -0.046 0.000 1.051 124 V CA -0.309 61.974 62.300 -0.029 0.000 1.010 124 V CB 1.385 33.193 31.823 -0.024 0.000 0.988 124 V HN 0.023 nan 8.190 nan 0.000 0.478 125 K N 5.587 125.953 120.400 -0.056 0.000 2.276 125 K HA 0.497 4.817 4.320 -0.000 0.000 0.283 125 K C -0.398 176.146 176.600 -0.093 0.000 1.044 125 K CA -0.101 56.130 56.287 -0.092 0.000 0.944 125 K CB 0.821 33.250 32.500 -0.119 0.000 1.012 125 K HN 0.668 nan 8.250 nan 0.000 0.472 126 I N 0.815 121.312 120.570 -0.123 0.000 2.474 126 I HA 0.514 4.684 4.170 -0.000 0.000 0.294 126 I C -0.569 175.457 176.117 -0.152 0.000 1.005 126 I CA -1.030 60.217 61.300 -0.088 0.000 1.113 126 I CB 1.295 39.275 38.000 -0.033 0.000 1.289 126 I HN 0.418 nan 8.210 nan 0.000 0.436 127 I N 5.591 126.169 120.570 0.012 0.000 2.436 127 I HA 0.420 4.590 4.170 -0.000 0.000 0.289 127 I C -0.664 175.646 176.117 0.321 0.000 1.010 127 I CA -0.370 60.986 61.300 0.095 0.000 1.098 127 I CB 1.785 39.924 38.000 0.231 0.000 1.266 127 I HN 0.498 nan 8.210 nan 0.000 0.434 128 F N 3.339 123.329 119.950 0.068 0.000 2.404 128 F HA 0.480 5.007 4.527 -0.000 0.000 0.345 128 F C 1.066 176.910 175.800 0.073 0.000 1.110 128 F CA -0.896 57.070 58.000 -0.057 0.000 1.130 128 F CB 1.706 40.644 39.000 -0.104 0.000 1.129 128 F HN 0.474 nan 8.300 nan 0.000 0.500 129 G N 4.894 113.690 108.800 -0.007 0.000 2.377 129 G HA2 0.607 4.567 3.960 -0.000 0.000 0.316 129 G HA3 0.607 4.567 3.960 -0.000 0.000 0.316 129 G C -0.977 173.996 174.900 0.121 0.000 1.115 129 G CA -0.448 44.723 45.100 0.118 0.000 0.952 129 G HN 0.578 nan 8.290 nan 0.000 0.441 130 I N 2.049 122.786 120.570 0.280 0.000 2.406 130 I HA 0.230 4.400 4.170 -0.000 0.000 0.290 130 I C -0.380 175.939 176.117 0.336 0.000 0.999 130 I CA -0.978 60.445 61.300 0.204 0.000 1.124 130 I CB 1.983 40.065 38.000 0.136 0.000 1.289 130 I HN 0.480 nan 8.210 nan 0.000 0.441 131 W N 9.804 131.156 121.300 0.086 0.000 2.385 131 W HA 0.120 4.780 4.660 -0.000 0.000 0.336 131 W C -1.933 174.565 176.519 -0.036 0.000 1.351 131 W CA -1.485 55.883 57.345 0.039 0.000 1.295 131 W CB 0.333 29.806 29.460 0.022 0.000 1.239 131 W HN 0.394 nan 8.180 nan 0.000 0.565 132 P HA -0.194 nan 4.420 nan 0.000 0.216 132 P C -1.217 175.670 177.300 -0.688 0.000 1.153 132 P CA 2.552 65.248 63.100 -0.674 0.000 0.858 132 P CB -0.701 30.185 31.700 -1.357 0.000 0.789 133 P HA -0.116 nan 4.420 nan 0.000 0.223 133 P C 1.154 178.272 177.300 -0.303 0.000 1.144 133 P CA 1.248 63.958 63.100 -0.649 0.000 0.783 133 P CB -0.371 30.776 31.700 -0.921 0.000 0.771 134 V N -6.010 113.806 119.914 -0.164 0.000 3.528 134 V HA 0.181 4.301 4.120 -0.000 0.000 0.294 134 V C 1.801 177.974 176.094 0.130 0.000 1.404 134 V CA -0.269 62.059 62.300 0.046 0.000 1.065 134 V CB -1.378 30.542 31.823 0.161 0.000 0.904 134 V HN -0.031 nan 8.190 nan 0.000 0.435 135 Y N 2.279 122.566 120.300 -0.021 0.000 2.114 135 Y HA -0.156 4.394 4.550 0.000 0.000 0.284 135 Y C 2.444 178.432 175.900 0.145 0.000 1.143 135 Y CA 2.520 60.655 58.100 0.059 0.000 1.135 135 Y CB -0.130 38.318 38.460 -0.020 0.000 0.980 135 Y HN 0.308 nan 8.280 nan 0.000 0.499 136 N N 0.590 119.313 118.700 0.039 0.000 2.244 136 N HA -0.153 4.587 4.740 -0.000 0.000 0.183 136 N C 1.898 177.399 175.510 -0.014 0.000 1.016 136 N CA 1.706 54.739 53.050 -0.028 0.000 0.866 136 N CB -0.258 38.269 38.487 0.067 0.000 0.980 136 N HN 0.474 nan 8.380 nan 0.000 0.430 137 I N 0.114 120.706 120.570 0.036 0.000 2.208 137 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 137 I C 2.144 178.317 176.117 0.094 0.000 1.097 137 I CA 1.042 62.374 61.300 0.053 0.000 1.363 137 I CB -0.305 37.741 38.000 0.078 0.000 1.051 137 I HN -0.003 nan 8.210 nan 0.000 0.413 138 F N 1.030 120.993 119.950 0.021 0.000 2.102 138 F HA -0.260 4.267 4.527 0.000 0.000 0.298 138 F C 2.553 178.414 175.800 0.102 0.000 1.105 138 F CA 1.619 59.705 58.000 0.144 0.000 1.239 138 F CB -0.074 39.008 39.000 0.138 0.000 0.991 138 F HN -0.087 nan 8.300 nan 0.000 0.474 139 M N 0.559 120.224 119.600 0.109 0.000 2.117 139 M HA -0.213 4.267 4.480 -0.000 0.000 0.262 139 M C 2.226 178.529 176.300 0.004 0.000 1.065 139 M CA 1.633 56.956 55.300 0.038 0.000 1.114 139 M CB -1.397 31.102 32.600 -0.169 0.000 1.361 139 M HN 0.207 nan 8.290 nan 0.000 0.408 140 K N 0.463 120.830 120.400 -0.056 0.000 2.026 140 K HA -0.169 4.151 4.320 -0.000 0.000 0.208 140 K C 1.670 178.148 176.600 -0.203 0.000 1.048 140 K CA 1.854 58.084 56.287 -0.094 0.000 0.929 140 K CB -0.129 32.329 32.500 -0.070 0.000 0.713 140 K HN 0.413 nan 8.250 nan 0.000 0.439 141 N N -0.687 117.832 118.700 -0.301 0.000 2.104 141 N HA -0.221 4.519 4.740 -0.000 0.000 0.190 141 N C 1.784 176.772 175.510 -0.870 0.000 1.024 141 N CA 1.384 54.077 53.050 -0.595 0.000 0.853 141 N CB -0.228 37.819 38.487 -0.733 0.000 1.008 141 N HN 0.244 nan 8.380 nan 0.000 0.424 142 Y N 1.866 121.637 120.300 -0.882 0.000 2.114 142 Y HA -0.238 4.312 4.550 0.000 0.000 0.284 142 Y C 2.570 178.289 175.900 -0.302 0.000 1.143 142 Y CA 2.273 60.017 58.100 -0.594 0.000 1.135 142 Y CB -0.691 37.657 38.460 -0.187 0.000 0.980 142 Y HN -0.028 nan 8.280 nan 0.000 0.499 143 K N 0.674 120.884 120.400 -0.316 0.000 2.063 143 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 143 K C 1.732 178.149 176.600 -0.305 0.000 1.048 143 K CA 2.024 58.130 56.287 -0.303 0.000 0.928 143 K CB -1.566 30.867 32.500 -0.111 0.000 0.713 143 K HN 0.772 nan 8.250 nan 0.000 0.442 144 N N -0.710 117.816 118.700 -0.290 0.000 2.571 144 N HA 0.159 4.899 4.740 -0.000 0.000 0.189 144 N C 0.954 176.302 175.510 -0.271 0.000 1.154 144 N CA 0.231 53.133 53.050 -0.247 0.000 0.907 144 N CB 0.204 38.561 38.487 -0.217 0.000 0.977 144 N HN 0.632 nan 8.380 nan 0.000 0.449 145 G N 1.543 110.133 108.800 -0.351 0.000 2.148 145 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.254 145 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.254 145 G C 0.877 175.622 174.900 -0.257 0.000 0.981 145 G CA 0.304 45.237 45.100 -0.279 0.000 0.670 145 G HN 0.325 nan 8.290 nan 0.000 0.528 146 K N -0.629 119.524 120.400 -0.411 0.000 2.280 146 K HA 0.023 4.343 4.320 -0.000 0.000 0.202 146 K C 1.351 177.866 176.600 -0.141 0.000 1.047 146 K CA 1.300 57.373 56.287 -0.357 0.000 0.942 146 K CB -0.222 31.976 32.500 -0.504 0.000 0.739 146 K HN 0.416 nan 8.250 nan 0.000 0.457 147 F N 0.752 120.635 119.950 -0.113 0.000 2.727 147 F HA 0.109 4.636 4.527 -0.000 0.000 0.302 147 F C 1.366 177.199 175.800 0.054 0.000 1.097 147 F CA -0.400 57.545 58.000 -0.091 0.000 1.330 147 F CB -0.128 38.837 39.000 -0.057 0.000 1.084 147 F HN -0.070 nan 8.300 nan 0.000 0.578 148 D N 0.547 121.045 120.400 0.163 0.000 2.104 148 D HA -0.173 4.467 4.640 -0.000 0.000 0.194 148 D C 1.853 178.244 176.300 0.151 0.000 0.994 148 D CA 1.283 55.367 54.000 0.140 0.000 0.830 148 D CB -0.254 40.568 40.800 0.038 0.000 0.959 148 D HN 0.118 nan 8.370 nan 0.000 0.452 149 N N 0.991 119.756 118.700 0.109 0.000 2.166 149 N HA -0.112 4.628 4.740 -0.000 0.000 0.186 149 N C 1.082 176.683 175.510 0.152 0.000 1.019 149 N CA 0.805 53.915 53.050 0.101 0.000 0.856 149 N CB -0.278 38.245 38.487 0.060 0.000 0.993 149 N HN 0.231 nan 8.380 nan 0.000 0.426 150 D N 0.129 120.637 120.400 0.179 0.000 2.350 150 D HA -0.033 4.607 4.640 -0.000 0.000 0.216 150 D C 1.480 178.105 176.300 0.542 0.000 0.968 150 D CA 0.509 54.667 54.000 0.263 0.000 0.894 150 D CB 0.017 40.810 40.800 -0.012 0.000 0.909 150 D HN 0.380 nan 8.370 nan 0.000 0.520 151 M N -0.031 119.848 119.600 0.464 0.000 2.509 151 M HA 0.124 4.604 4.480 -0.000 0.000 0.250 151 M C 0.515 176.950 176.300 0.225 0.000 1.132 151 M CA 0.039 55.591 55.300 0.420 0.000 1.080 151 M CB 0.680 33.528 32.600 0.414 0.000 1.408 151 M HN -0.183 nan 8.290 nan 0.000 0.484 152 I N 0.993 121.674 120.570 0.185 0.000 2.598 152 I HA -0.075 4.095 4.170 -0.000 0.000 0.284 152 I C 1.079 177.257 176.117 0.102 0.000 1.140 152 I CA 0.093 61.464 61.300 0.119 0.000 1.420 152 I CB 0.659 38.717 38.000 0.096 0.000 1.387 152 I HN 0.202 nan 8.210 nan 0.000 0.553 153 I N 4.250 124.863 120.570 0.071 0.000 2.499 153 I HA 0.011 4.181 4.170 -0.000 0.000 0.243 153 I C 0.546 176.690 176.117 0.046 0.000 1.085 153 I CA 0.838 62.169 61.300 0.052 0.000 1.422 153 I CB 0.050 38.069 38.000 0.032 0.000 1.165 153 I HN 0.744 nan 8.210 nan 0.000 0.440 154 D N -1.214 119.210 120.400 0.040 0.000 2.792 154 D HA 0.123 4.763 4.640 -0.000 0.000 0.335 154 D C 0.771 177.089 176.300 0.030 0.000 1.353 154 D CA 0.173 54.193 54.000 0.034 0.000 0.839 154 D CB 1.064 41.880 40.800 0.027 0.000 1.396 154 D HN -0.156 nan 8.370 nan 0.000 0.479 155 K N -0.238 120.177 120.400 0.025 0.000 2.090 155 K HA -0.291 4.029 4.320 -0.000 0.000 0.218 155 K C 1.947 178.560 176.600 0.021 0.000 1.055 155 K CA 4.066 60.366 56.287 0.022 0.000 0.941 155 K CB -2.300 30.211 32.500 0.018 0.000 0.722 155 K HN 0.720 nan 8.250 nan 0.000 0.458 156 D N -0.042 120.370 120.400 0.020 0.000 2.083 156 D HA 0.263 4.903 4.640 -0.000 0.000 0.199 156 D C 1.583 177.896 176.300 0.022 0.000 0.980 156 D CA 2.661 56.672 54.000 0.018 0.000 0.851 156 D CB -0.488 nan 40.800 nan 0.000 0.997 156 D HN 0.975 nan 8.370 nan 0.000 0.449 157 K N -0.475 119.939 120.400 0.024 0.000 2.306 157 K HA 0.669 4.989 4.320 -0.000 0.000 0.236 157 K C -0.302 176.319 176.600 0.036 0.000 1.013 157 K CA -0.456 55.847 56.287 0.025 0.000 0.857 157 K CB 1.702 34.213 32.500 0.018 0.000 1.214 157 K HN 0.594 nan 8.250 nan 0.000 0.449 158 K N 1.727 122.150 120.400 0.040 0.000 2.371 158 K HA 0.447 4.767 4.320 -0.000 0.000 0.251 158 K C -0.553 176.075 176.600 0.046 0.000 0.934 158 K CA -0.526 55.796 56.287 0.058 0.000 0.798 158 K CB 1.449 33.991 32.500 0.070 0.000 1.204 158 K HN 0.743 nan 8.250 nan 0.000 0.427 159 M N 2.614 122.244 119.600 0.050 0.000 2.240 159 M HA -0.080 4.400 4.480 -0.000 0.000 0.346 159 M C 0.530 176.836 176.300 0.010 0.000 1.236 159 M CA 0.915 56.217 55.300 0.004 0.000 0.986 159 M CB -0.085 32.495 32.600 -0.035 0.000 1.786 159 M HN 0.435 nan 8.290 nan 0.000 0.457 160 N N 4.284 122.964 118.700 -0.033 0.000 2.501 160 N HA 0.418 5.158 4.740 -0.000 0.000 0.245 160 N C -1.520 173.923 175.510 -0.111 0.000 0.974 160 N CA -0.398 52.626 53.050 -0.043 0.000 0.941 160 N CB 0.703 39.164 38.487 -0.043 0.000 1.122 160 N HN 0.524 nan 8.380 nan 0.000 0.507 161 I N 4.705 125.194 120.570 -0.136 0.000 2.330 161 I HA 0.097 4.267 4.170 -0.000 0.000 0.289 161 I C 1.482 177.456 176.117 -0.238 0.000 1.001 161 I CA -0.427 60.693 61.300 -0.301 0.000 1.193 161 I CB 1.885 39.606 38.000 -0.466 0.000 1.345 161 I HN 0.483 nan 8.210 nan 0.000 0.461 162 L N 3.942 125.006 121.223 -0.265 0.000 2.027 162 L HA 0.009 4.349 4.340 -0.000 0.000 0.206 162 L C 0.314 177.069 176.870 -0.192 0.000 1.074 162 L CA 1.932 56.617 54.840 -0.257 0.000 0.745 162 L CB 0.191 42.009 42.059 -0.401 0.000 0.898 162 L HN 0.718 nan 8.230 nan 0.000 0.433 163 D N -1.982 118.306 120.400 -0.188 0.000 2.622 163 D HA 0.400 5.040 4.640 -0.000 0.000 0.255 163 D C -1.273 175.008 176.300 -0.033 0.000 1.246 163 D CA -0.387 53.599 54.000 -0.024 0.000 0.795 163 D CB 1.844 42.735 40.800 0.151 0.000 1.369 163 D HN -0.092 nan 8.370 nan 0.000 0.425 164 M N 1.962 121.628 119.600 0.109 0.000 2.213 164 M HA 0.457 4.937 4.480 -0.000 0.000 0.286 164 M C -1.211 175.311 176.300 0.371 0.000 1.008 164 M CA -0.478 54.955 55.300 0.223 0.000 0.937 164 M CB 2.170 34.892 32.600 0.203 0.000 1.600 164 M HN 0.132 nan 8.290 nan 0.000 0.450 165 L N 4.502 125.954 121.223 0.381 0.000 2.401 165 L HA 0.707 5.047 4.340 -0.000 0.000 0.266 165 L C -2.340 174.675 176.870 0.240 0.000 0.991 165 L CA -1.983 53.023 54.840 0.277 0.000 0.818 165 L CB 2.542 44.756 42.059 0.259 0.000 1.321 165 L HN 0.358 nan 8.230 nan 0.000 0.413 166 P HA 0.167 nan 4.420 nan 0.000 0.275 166 P C -1.251 176.241 177.300 0.320 0.000 1.227 166 P CA 0.036 63.116 63.100 -0.033 0.000 0.781 166 P CB 0.807 32.277 31.700 -0.383 0.000 0.906 167 F N 2.321 122.403 119.950 0.220 0.000 2.630 167 F HA 0.365 4.892 4.527 -0.000 0.000 0.325 167 F C -1.751 174.269 175.800 0.366 0.000 1.184 167 F CA -0.680 57.522 58.000 0.337 0.000 1.011 167 F CB 1.700 40.936 39.000 0.393 0.000 1.268 167 F HN 0.101 nan 8.300 nan 0.000 0.480 168 D N 4.644 124.925 120.400 -0.198 0.000 2.471 168 D HA 0.468 5.108 4.640 -0.000 0.000 0.245 168 D C 0.219 176.297 176.300 -0.371 0.000 1.116 168 D CA -0.076 53.922 54.000 -0.004 0.000 0.853 168 D CB 2.183 43.270 40.800 0.478 0.000 1.123 168 D HN 0.705 nan 8.370 nan 0.000 0.540 169 A N 2.621 125.203 122.820 -0.397 0.000 2.235 169 A HA 0.017 4.337 4.320 -0.000 0.000 0.208 169 A C 1.819 179.318 177.584 -0.142 0.000 1.172 169 A CA 0.379 52.267 52.037 -0.249 0.000 0.786 169 A CB 0.048 19.037 19.000 -0.018 0.000 0.804 169 A HN 0.456 nan 8.150 nan 0.000 0.479 170 S N -0.609 114.915 115.700 -0.294 0.000 2.453 170 S HA 0.158 4.628 4.470 -0.000 0.000 0.231 170 S C -0.248 173.987 174.600 -0.608 0.000 1.005 170 S CA 0.552 58.421 58.200 -0.551 0.000 0.949 170 S CB -0.203 62.388 63.200 -1.015 0.000 0.774 170 S HN 0.491 nan 8.310 nan 0.000 0.510 171 F N 1.077 121.071 119.950 0.073 0.000 2.507 171 F HA 0.433 4.960 4.527 -0.000 0.000 0.328 171 F C 0.525 176.349 175.800 0.039 0.000 1.136 171 F CA -1.636 56.401 58.000 0.062 0.000 0.930 171 F CB 1.227 40.265 39.000 0.064 0.000 1.166 171 F HN -0.178 nan 8.300 nan 0.000 0.436 172 D N 0.486 121.032 120.400 0.243 0.000 2.137 172 D HA -0.018 4.622 4.640 -0.000 0.000 0.202 172 D C 1.048 177.302 176.300 -0.078 0.000 0.970 172 D CA 1.518 55.611 54.000 0.154 0.000 0.837 172 D CB 0.284 41.281 40.800 0.328 0.000 0.981 172 D HN 0.593 nan 8.370 nan 0.000 0.475 173 T N -4.003 110.549 114.554 -0.003 0.000 2.841 173 T HA 0.631 4.981 4.350 -0.000 0.000 0.296 173 T C 1.010 175.662 174.700 -0.080 0.000 1.166 173 T CA -0.237 61.810 62.100 -0.088 0.000 1.007 173 T CB 1.936 70.778 68.868 -0.044 0.000 1.253 173 T HN -0.116 nan 8.240 nan 0.000 0.511 174 A N 1.349 124.089 122.820 -0.134 0.000 1.917 174 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 174 A C 2.102 179.600 177.584 -0.144 0.000 1.182 174 A CA 1.985 53.915 52.037 -0.178 0.000 0.633 174 A CB -1.337 17.562 19.000 -0.168 0.000 0.819 174 A HN 0.819 nan 8.150 nan 0.000 0.448 175 N N 0.585 119.236 118.700 -0.083 0.000 2.348 175 N HA -0.116 4.624 4.740 -0.000 0.000 0.185 175 N C 0.749 176.234 175.510 -0.042 0.000 1.019 175 N CA 1.382 54.399 53.050 -0.055 0.000 0.880 175 N CB -0.338 38.137 38.487 -0.019 0.000 0.965 175 N HN 0.504 nan 8.380 nan 0.000 0.437 176 D N 0.162 120.551 120.400 -0.018 0.000 2.347 176 D HA 0.051 4.691 4.640 -0.000 0.000 0.213 176 D C 0.484 176.779 176.300 -0.008 0.000 0.985 176 D CA 0.088 54.129 54.000 0.070 0.000 0.879 176 D CB 0.458 41.386 40.800 0.213 0.000 0.919 176 D HN 0.307 nan 8.370 nan 0.000 0.526 177 I N 3.597 123.972 120.570 -0.324 0.000 2.533 177 I HA -0.035 4.135 4.170 -0.000 0.000 0.284 177 I C 0.993 176.941 176.117 -0.282 0.000 1.109 177 I CA -0.410 60.481 61.300 -0.681 0.000 1.412 177 I CB 0.460 38.001 38.000 -0.764 0.000 1.396 177 I HN -0.094 nan 8.210 nan 0.000 0.543 178 D N 6.333 126.636 120.400 -0.162 0.000 2.360 178 D HA 0.019 4.659 4.640 -0.000 0.000 0.242 178 D C 0.509 176.746 176.300 -0.105 0.000 1.184 178 D CA -0.425 53.536 54.000 -0.065 0.000 0.930 178 D CB 1.332 42.142 40.800 0.018 0.000 1.161 178 D HN 0.430 nan 8.370 nan 0.000 0.447 179 E N 0.854 121.015 120.200 -0.066 0.000 2.072 179 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 179 E C 2.136 178.698 176.600 -0.063 0.000 0.985 179 E CA 1.816 58.179 56.400 -0.062 0.000 0.801 179 E CB -0.866 28.811 29.700 -0.039 0.000 0.750 179 E HN 0.818 nan 8.360 nan 0.000 0.452 180 E N 1.208 121.378 120.200 -0.051 0.000 2.097 180 E HA -0.203 4.147 4.350 -0.000 0.000 0.196 180 E C 2.160 178.703 176.600 -0.094 0.000 1.000 180 E CA 2.012 58.382 56.400 -0.049 0.000 0.804 180 E CB -1.366 28.319 29.700 -0.026 0.000 0.740 180 E HN 0.308 nan 8.360 nan 0.000 0.454 181 T N 0.239 114.698 114.554 -0.159 0.000 2.737 181 T HA -0.071 4.279 4.350 -0.000 0.000 0.265 181 T C 2.135 176.656 174.700 -0.298 0.000 1.038 181 T CA 1.266 63.151 62.100 -0.358 0.000 1.144 181 T CB -0.192 68.397 68.868 -0.465 0.000 0.866 181 T HN 0.469 nan 8.240 nan 0.000 0.434 182 K N 1.386 121.675 120.400 -0.185 0.000 2.089 182 K HA -0.152 4.168 4.320 -0.000 0.000 0.210 182 K C 2.410 178.997 176.600 -0.023 0.000 1.048 182 K CA 1.778 58.021 56.287 -0.073 0.000 0.926 182 K CB -0.446 32.010 32.500 -0.073 0.000 0.714 182 K HN 0.510 nan 8.250 nan 0.000 0.448 183 N N 1.590 120.268 118.700 -0.037 0.000 2.383 183 N HA -0.057 4.683 4.740 -0.000 0.000 0.192 183 N C 0.320 175.833 175.510 0.004 0.000 1.141 183 N CA 0.003 53.047 53.050 -0.010 0.000 0.851 183 N CB -0.353 38.126 38.487 -0.015 0.000 0.976 183 N HN 0.172 nan 8.380 nan 0.000 0.465 184 N N 0.974 119.678 118.700 0.007 0.000 2.530 184 N HA 0.006 4.746 4.740 -0.000 0.000 0.273 184 N C 0.972 176.533 175.510 0.085 0.000 1.173 184 N CA -0.023 53.058 53.050 0.052 0.000 0.967 184 N CB 1.220 39.762 38.487 0.091 0.000 1.109 184 N HN 0.489 nan 8.380 nan 0.000 0.453 185 K N 3.579 124.014 120.400 0.059 0.000 2.147 185 K HA -0.076 4.244 4.320 -0.000 0.000 0.205 185 K C 1.454 178.075 176.600 0.035 0.000 1.049 185 K CA 1.369 57.681 56.287 0.041 0.000 0.936 185 K CB 0.034 32.548 32.500 0.024 0.000 0.722 185 K HN 0.468 nan 8.250 nan 0.000 0.446 186 R N -0.607 119.913 120.500 0.033 0.000 2.161 186 R HA 0.026 4.366 4.340 -0.000 0.000 0.213 186 R C 1.518 177.728 176.300 -0.150 0.000 1.055 186 R CA 1.022 57.080 56.100 -0.070 0.000 0.996 186 R CB -0.249 29.951 30.300 -0.166 0.000 0.901 186 R HN 0.300 nan 8.270 nan 0.000 0.456 187 Y N 0.883 121.103 120.300 -0.133 0.000 2.436 187 Y HA -0.005 4.544 4.550 -0.000 0.000 0.288 187 Y C 2.847 178.722 175.900 -0.042 0.000 1.112 187 Y CA 0.951 58.946 58.100 -0.175 0.000 1.220 187 Y CB -0.881 37.465 38.460 -0.190 0.000 1.073 187 Y HN 0.238 nan 8.280 nan 0.000 0.552 188 N N 0.590 119.374 118.700 0.140 0.000 2.149 188 N HA -0.157 4.583 4.740 -0.000 0.000 0.188 188 N C 1.461 177.020 175.510 0.082 0.000 1.019 188 N CA 1.834 54.945 53.050 0.101 0.000 0.857 188 N CB -0.658 37.868 38.487 0.065 0.000 0.997 188 N HN 0.124 nan 8.380 nan 0.000 0.426 189 M N -0.047 119.590 119.600 0.062 0.000 2.568 189 M HA 0.396 4.876 4.480 -0.000 0.000 0.226 189 M C -0.189 176.146 176.300 0.059 0.000 1.148 189 M CA 0.214 55.548 55.300 0.056 0.000 1.007 189 M CB -0.835 31.795 32.600 0.051 0.000 1.651 189 M HN 0.289 nan 8.290 nan 0.000 0.488 190 L N 0.768 122.036 121.223 0.075 0.000 2.301 190 L HA 0.531 4.871 4.340 -0.000 0.000 0.264 190 L C 0.082 177.101 176.870 0.249 0.000 1.016 190 L CA -0.734 54.157 54.840 0.085 0.000 0.821 190 L CB 2.020 44.034 42.059 -0.074 0.000 1.346 190 L HN 0.164 nan 8.230 nan 0.000 0.429 191 Q N 0.271 120.201 119.800 0.215 0.000 2.565 191 Q HA 0.353 4.693 4.340 -0.000 0.000 0.294 191 Q C -1.133 174.858 176.000 -0.016 0.000 1.005 191 Q CA -0.870 54.981 55.803 0.081 0.000 0.771 191 Q CB 1.772 30.510 28.738 -0.000 0.000 1.486 191 Q HN 0.619 nan 8.270 nan 0.000 0.422 192 N N 0.237 118.788 118.700 -0.249 0.000 2.725 192 N HA -0.211 4.529 4.740 -0.000 0.000 0.251 192 N C -0.470 174.987 175.510 -0.088 0.000 1.031 192 N CA 1.526 54.459 53.050 -0.197 0.000 0.720 192 N CB -1.629 36.804 38.487 -0.090 0.000 0.930 192 N HN 0.738 nan 8.380 nan 0.000 0.543 193 Y N -2.331 117.983 120.300 0.022 0.000 2.481 193 Y HA 0.293 4.843 4.550 0.000 0.000 0.247 193 Y C 1.263 177.205 175.900 0.070 0.000 1.151 193 Y CA -0.208 57.934 58.100 0.070 0.000 1.238 193 Y CB -0.492 37.997 38.460 0.049 0.000 1.179 193 Y HN 0.091 nan 8.280 nan 0.000 0.524 194 T N -1.835 112.698 114.554 -0.035 0.000 2.766 194 T HA 0.229 4.579 4.350 -0.000 0.000 0.295 194 T C 1.319 176.040 174.700 0.034 0.000 1.024 194 T CA -0.331 61.791 62.100 0.038 0.000 1.018 194 T CB 0.967 69.805 68.868 -0.049 0.000 1.002 194 T HN 0.299 nan 8.240 nan 0.000 0.532 195 I N 0.423 121.007 120.570 0.025 0.000 2.163 195 I HA -0.150 4.020 4.170 -0.000 0.000 0.243 195 I C 2.895 179.035 176.117 0.038 0.000 1.085 195 I CA 1.989 63.418 61.300 0.215 0.000 1.347 195 I CB -0.463 37.703 38.000 0.278 0.000 1.044 195 I HN 0.903 nan 8.210 nan 0.000 0.408 196 E N 1.092 121.041 120.200 -0.420 0.000 2.077 196 E HA -0.262 4.088 4.350 -0.000 0.000 0.193 196 E C 1.679 178.127 176.600 -0.253 0.000 0.989 196 E CA 1.597 57.653 56.400 -0.574 0.000 0.800 196 E CB 0.050 29.268 29.700 -0.803 0.000 0.746 196 E HN 0.400 nan 8.360 nan 0.000 0.452 197 D N 0.126 120.420 120.400 -0.177 0.000 2.117 197 D HA -0.142 4.498 4.640 -0.000 0.000 0.197 197 D C 2.073 178.327 176.300 -0.077 0.000 0.987 197 D CA 1.098 55.023 54.000 -0.125 0.000 0.829 197 D CB -0.100 40.617 40.800 -0.139 0.000 0.961 197 D HN 0.143 nan 8.370 nan 0.000 0.460 198 V N 1.396 121.318 119.914 0.014 0.000 2.379 198 V HA -0.176 3.944 4.120 -0.000 0.000 0.245 198 V C 2.559 178.548 176.094 -0.175 0.000 1.044 198 V CA 1.527 63.854 62.300 0.044 0.000 1.036 198 V CB -0.784 31.241 31.823 0.337 0.000 0.664 198 V HN 0.155 nan 8.190 nan 0.000 0.453 199 A N 0.770 123.354 122.820 -0.392 0.000 1.883 199 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 199 A C 2.092 179.448 177.584 -0.380 0.000 1.186 199 A CA 2.299 53.828 52.037 -0.848 0.000 0.624 199 A CB -0.737 17.659 19.000 -1.007 0.000 0.822 199 A HN 0.579 nan 8.150 nan 0.000 0.444 200 N N -0.372 118.190 118.700 -0.230 0.000 2.120 200 N HA -0.120 4.620 4.740 -0.000 0.000 0.188 200 N C 1.553 177.021 175.510 -0.070 0.000 1.024 200 N CA 1.352 54.335 53.050 -0.112 0.000 0.852 200 N CB -0.571 37.859 38.487 -0.096 0.000 1.003 200 N HN 0.362 nan 8.380 nan 0.000 0.424 201 L N 1.351 122.520 121.223 -0.091 0.000 2.017 201 L HA 0.019 4.359 4.340 -0.000 0.000 0.208 201 L C 2.018 178.838 176.870 -0.083 0.000 1.073 201 L CA 1.208 56.001 54.840 -0.079 0.000 0.745 201 L CB -0.653 41.375 42.059 -0.052 0.000 0.894 201 L HN 0.117 nan 8.230 nan 0.000 0.432 202 I N -1.377 119.153 120.570 -0.067 0.000 2.226 202 I HA -0.337 3.833 4.170 -0.000 0.000 0.245 202 I C 2.568 178.702 176.117 0.029 0.000 1.100 202 I CA 1.513 62.828 61.300 0.025 0.000 1.374 202 I CB -0.554 37.440 38.000 -0.009 0.000 1.057 202 I HN 0.443 nan 8.210 nan 0.000 0.413 203 H N 0.980 119.986 119.070 -0.107 0.000 2.389 203 H HA -0.207 4.349 4.556 -0.000 0.000 0.299 203 H C 2.220 177.491 175.328 -0.095 0.000 1.081 203 H CA 1.884 57.881 56.048 -0.084 0.000 1.345 203 H CB 0.175 29.868 29.762 -0.115 0.000 1.393 203 H HN 0.430 nan 8.280 nan 0.000 0.520 204 Q N 0.885 120.591 119.800 -0.157 0.000 2.079 204 Q HA -0.115 4.225 4.340 -0.000 0.000 0.200 204 Q C 2.087 177.911 176.000 -0.292 0.000 0.974 204 Q CA 1.362 57.035 55.803 -0.216 0.000 0.840 204 Q CB 0.176 28.840 28.738 -0.124 0.000 0.898 204 Q HN 0.381 nan 8.270 nan 0.000 0.430 205 K N -1.002 119.167 120.400 -0.384 0.000 2.103 205 K HA -0.107 4.213 4.320 -0.000 0.000 0.204 205 K C 0.871 177.008 176.600 -0.772 0.000 1.052 205 K CA 1.362 57.226 56.287 -0.704 0.000 0.945 205 K CB 0.207 32.020 32.500 -1.146 0.000 0.722 205 K HN 0.347 nan 8.250 nan 0.000 0.443 206 Y N -0.936 119.311 120.300 -0.089 0.000 2.610 206 Y HA 0.229 4.779 4.550 -0.000 0.000 0.254 206 Y C 0.855 176.703 175.900 -0.088 0.000 1.110 206 Y CA -0.278 57.782 58.100 -0.066 0.000 1.238 206 Y CB 1.479 39.922 38.460 -0.028 0.000 1.322 206 Y HN 0.166 nan 8.280 nan 0.000 0.547 207 G N 1.562 110.307 108.800 -0.091 0.000 2.642 207 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.231 207 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.231 207 G C -0.572 174.371 174.900 0.072 0.000 1.338 207 G CA -0.802 44.211 45.100 -0.145 0.000 0.883 207 G HN 0.151 nan 8.290 nan 0.000 0.570 208 K N 0.256 120.739 120.400 0.138 0.000 2.355 208 K HA 0.470 4.790 4.320 -0.000 0.000 0.270 208 K C 0.956 177.629 176.600 0.122 0.000 1.003 208 K CA 0.615 57.007 56.287 0.174 0.000 0.957 208 K CB 0.561 33.141 32.500 0.132 0.000 0.939 208 K HN 0.690 nan 8.250 nan 0.000 0.482 209 I N -0.710 119.933 120.570 0.123 0.000 3.023 209 I HA 0.388 4.558 4.170 -0.000 0.000 0.312 209 I C 0.110 176.278 176.117 0.085 0.000 1.056 209 I CA -0.891 60.474 61.300 0.109 0.000 1.033 209 I CB 1.913 40.005 38.000 0.153 0.000 1.233 209 I HN 0.585 nan 8.210 nan 0.000 0.462 210 N N 2.343 121.083 118.700 0.066 0.000 2.143 210 N HA 0.324 5.064 4.740 -0.000 0.000 0.229 210 N C -0.771 174.758 175.510 0.032 0.000 1.294 210 N CA -0.223 52.853 53.050 0.044 0.000 0.883 210 N CB 0.624 39.127 38.487 0.027 0.000 1.148 210 N HN 0.737 nan 8.380 nan 0.000 0.511 211 M N 0.891 120.517 119.600 0.044 0.000 2.378 211 M HA 0.429 4.909 4.480 -0.000 0.000 0.289 211 M C -2.041 174.277 176.300 0.030 0.000 1.136 211 M CA -0.827 54.484 55.300 0.019 0.000 0.917 211 M CB 3.088 35.689 32.600 0.000 0.000 1.669 211 M HN -0.011 nan 8.290 nan 0.000 0.461 212 L N 3.639 124.855 121.223 -0.011 0.000 2.438 212 L HA 0.793 5.133 4.340 -0.000 0.000 0.270 212 L C -1.798 175.014 176.870 -0.098 0.000 0.972 212 L CA -0.508 54.301 54.840 -0.051 0.000 0.831 212 L CB 2.199 44.228 42.059 -0.049 0.000 1.273 212 L HN 0.513 nan 8.230 nan 0.000 0.405 213 V N 4.609 124.421 119.914 -0.170 0.000 2.483 213 V HA 0.396 4.516 4.120 -0.000 0.000 0.297 213 V C -0.789 175.178 176.094 -0.211 0.000 1.027 213 V CA -0.615 61.587 62.300 -0.164 0.000 0.855 213 V CB 1.458 33.176 31.823 -0.175 0.000 0.995 213 V HN 0.767 nan 8.190 nan 0.000 0.424 214 H N 3.745 122.687 119.070 -0.212 0.000 2.597 214 H HA 0.451 5.007 4.556 -0.000 0.000 0.303 214 H C -0.380 174.860 175.328 -0.148 0.000 1.057 214 H CA 0.016 55.950 56.048 -0.190 0.000 1.261 214 H CB 1.703 31.389 29.762 -0.128 0.000 1.397 214 H HN 0.604 nan 8.280 nan 0.000 0.461 215 S N 6.788 122.326 115.700 -0.270 0.000 2.474 215 S HA 0.309 4.779 4.470 -0.000 0.000 0.224 215 S C -1.204 173.274 174.600 -0.203 0.000 1.209 215 S CA -0.674 57.435 58.200 -0.152 0.000 1.212 215 S CB -0.996 62.116 63.200 -0.146 0.000 1.137 215 S HN 0.621 nan 8.310 nan 0.000 0.446 216 L N -0.556 120.494 121.223 -0.289 0.000 2.465 216 L HA 1.121 5.461 4.340 -0.000 0.000 0.257 216 L C -0.918 175.867 176.870 -0.142 0.000 0.988 216 L CA -0.864 53.814 54.840 -0.271 0.000 0.827 216 L CB 1.440 43.283 42.059 -0.360 0.000 1.397 216 L HN 0.116 nan 8.230 nan 0.000 0.410 217 A N 1.400 124.130 122.820 -0.149 0.000 2.605 217 A HA 0.845 5.165 4.320 -0.000 0.000 0.294 217 A C -1.673 175.789 177.584 -0.204 0.000 1.062 217 A CA -0.450 51.524 52.037 -0.105 0.000 0.682 217 A CB 1.570 20.549 19.000 -0.035 0.000 1.278 217 A HN 0.983 nan 8.150 nan 0.000 0.410 218 N N -1.119 117.468 118.700 -0.189 0.000 2.598 218 N HA 0.692 5.432 4.740 -0.000 0.000 0.263 218 N C -1.338 174.072 175.510 -0.167 0.000 1.254 218 N CA 0.035 52.952 53.050 -0.222 0.000 0.863 218 N CB 2.089 40.385 38.487 -0.319 0.000 1.586 218 N HN 1.482 nan 8.380 nan 0.000 0.491 219 A N 1.627 124.354 122.820 -0.155 0.000 2.513 219 A HA 0.214 4.534 4.320 -0.000 0.000 0.285 219 A C 0.214 177.739 177.584 -0.099 0.000 1.047 219 A CA -0.694 51.263 52.037 -0.134 0.000 0.864 219 A CB 0.763 19.657 19.000 -0.177 0.000 1.373 219 A HN 0.812 nan 8.150 nan 0.000 0.403 220 K N 1.019 121.383 120.400 -0.060 0.000 2.362 220 K HA -0.010 4.310 4.320 -0.000 0.000 0.200 220 K C 0.138 176.720 176.600 -0.031 0.000 1.046 220 K CA 1.762 58.032 56.287 -0.029 0.000 0.952 220 K CB 0.278 32.777 32.500 -0.001 0.000 0.753 220 K HN 0.633 nan 8.250 nan 0.000 0.466 221 E N 1.132 121.305 120.200 -0.044 0.000 2.685 221 E HA 0.034 4.384 4.350 -0.000 0.000 0.208 221 E C 0.799 177.357 176.600 -0.070 0.000 0.996 221 E CA -0.225 56.152 56.400 -0.038 0.000 1.054 221 E CB 1.070 30.762 29.700 -0.012 0.000 1.075 221 E HN 0.070 nan 8.360 nan 0.000 0.460 222 V N 2.177 122.025 119.914 -0.110 0.000 2.546 222 V HA -0.278 3.842 4.120 -0.000 0.000 0.254 222 V C 2.213 178.215 176.094 -0.153 0.000 1.076 222 V CA 2.189 64.384 62.300 -0.175 0.000 1.087 222 V CB -0.065 31.622 31.823 -0.226 0.000 0.674 222 V HN 0.443 nan 8.190 nan 0.000 0.470 223 Q N 0.059 119.799 119.800 -0.099 0.000 2.444 223 Q HA -0.004 4.336 4.340 -0.000 0.000 0.206 223 Q C 0.581 176.552 176.000 -0.049 0.000 0.948 223 Q CA 0.545 56.304 55.803 -0.074 0.000 0.946 223 Q CB -0.202 28.508 28.738 -0.046 0.000 1.027 223 Q HN 0.565 nan 8.270 nan 0.000 0.513 224 K N 1.644 122.017 120.400 -0.044 0.000 2.123 224 K HA 0.263 4.583 4.320 -0.000 0.000 0.259 224 K C -0.721 175.869 176.600 -0.017 0.000 0.960 224 K CA -0.890 55.384 56.287 -0.021 0.000 0.872 224 K CB 0.936 33.430 32.500 -0.010 0.000 1.079 224 K HN -0.018 nan 8.250 nan 0.000 0.440 225 D N 1.815 122.215 120.400 -0.001 0.000 2.449 225 D HA -0.090 4.550 4.640 -0.000 0.000 0.236 225 D C 1.243 177.555 176.300 0.021 0.000 1.149 225 D CA -0.054 53.953 54.000 0.012 0.000 0.878 225 D CB 0.660 41.469 40.800 0.016 0.000 1.198 225 D HN 0.291 nan 8.370 nan 0.000 0.446 226 L N 2.222 123.468 121.223 0.038 0.000 2.051 226 L HA -0.200 4.140 4.340 -0.000 0.000 0.214 226 L C 2.070 178.960 176.870 0.032 0.000 1.076 226 L CA 1.616 56.491 54.840 0.059 0.000 0.758 226 L CB -0.370 41.735 42.059 0.077 0.000 0.890 226 L HN 0.512 nan 8.230 nan 0.000 0.433 227 L N -0.748 120.485 121.223 0.017 0.000 2.201 227 L HA -0.148 4.192 4.340 -0.000 0.000 0.212 227 L C 1.169 178.037 176.870 -0.003 0.000 1.105 227 L CA 0.986 55.826 54.840 0.001 0.000 0.775 227 L CB -0.344 41.717 42.059 0.002 0.000 0.913 227 L HN 0.462 nan 8.230 nan 0.000 0.440 228 N N -0.795 117.908 118.700 0.004 0.000 2.268 228 N HA 0.036 4.776 4.740 -0.000 0.000 0.204 228 N C 0.038 175.551 175.510 0.006 0.000 1.124 228 N CA 0.132 53.183 53.050 0.002 0.000 0.838 228 N CB 0.338 38.826 38.487 0.002 0.000 0.994 228 N HN 0.100 nan 8.380 nan 0.000 0.489 229 T N 0.952 115.515 114.554 0.016 0.000 2.856 229 T HA 0.218 4.568 4.350 -0.000 0.000 0.292 229 T C 0.856 175.570 174.700 0.023 0.000 0.980 229 T CA -0.465 61.656 62.100 0.035 0.000 1.091 229 T CB 1.149 70.069 68.868 0.087 0.000 0.936 229 T HN 0.195 nan 8.240 nan 0.000 0.503 230 S N 3.068 118.786 115.700 0.029 0.000 2.645 230 S HA 0.322 4.792 4.470 -0.000 0.000 0.266 230 S C 1.392 176.014 174.600 0.038 0.000 1.258 230 S CA -0.910 57.300 58.200 0.018 0.000 0.990 230 S CB 1.073 64.283 63.200 0.017 0.000 0.967 230 S HN 0.757 nan 8.310 nan 0.000 0.556 231 R N 0.914 121.423 120.500 0.015 0.000 2.083 231 R HA -0.108 4.232 4.340 -0.000 0.000 0.237 231 R C 2.115 178.461 176.300 0.077 0.000 1.137 231 R CA 1.811 57.929 56.100 0.030 0.000 0.951 231 R CB -0.409 29.892 30.300 0.002 0.000 0.851 231 R HN 0.768 nan 8.270 nan 0.000 0.434 232 K N -0.969 119.460 120.400 0.049 0.000 2.057 232 K HA -0.088 4.232 4.320 -0.000 0.000 0.207 232 K C 2.040 178.672 176.600 0.053 0.000 1.049 232 K CA 1.407 57.720 56.287 0.044 0.000 0.931 232 K CB -0.279 32.237 32.500 0.027 0.000 0.714 232 K HN 0.378 nan 8.250 nan 0.000 0.440 233 G N 0.151 108.985 108.800 0.057 0.000 2.402 233 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.216 233 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.216 233 G C 1.411 176.354 174.900 0.072 0.000 1.162 233 G CA 0.697 45.825 45.100 0.047 0.000 0.777 233 G HN 0.314 nan 8.290 nan 0.000 0.539 234 Y N 1.082 121.368 120.300 -0.024 0.000 2.145 234 Y HA -0.013 4.537 4.550 -0.000 0.000 0.286 234 Y C 2.573 178.462 175.900 -0.017 0.000 1.145 234 Y CA 1.371 59.458 58.100 -0.022 0.000 1.148 234 Y CB -0.122 38.329 38.460 -0.015 0.000 0.981 234 Y HN 0.094 nan 8.280 nan 0.000 0.507 235 L N -0.138 121.182 121.223 0.162 0.000 2.141 235 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 235 L C 2.081 178.940 176.870 -0.019 0.000 1.094 235 L CA 1.589 56.466 54.840 0.061 0.000 0.763 235 L CB -0.617 41.493 42.059 0.085 0.000 0.908 235 L HN 0.252 nan 8.230 nan 0.000 0.437 236 D N 0.355 120.745 120.400 -0.016 0.000 2.104 236 D HA -0.204 4.436 4.640 -0.000 0.000 0.194 236 D C 2.204 178.457 176.300 -0.077 0.000 0.994 236 D CA 1.467 55.442 54.000 -0.041 0.000 0.830 236 D CB 0.149 40.932 40.800 -0.029 0.000 0.959 236 D HN 0.236 nan 8.370 nan 0.000 0.452 237 A N 0.393 123.145 122.820 -0.114 0.000 1.883 237 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 237 A C 2.259 179.756 177.584 -0.144 0.000 1.186 237 A CA 1.154 53.098 52.037 -0.156 0.000 0.624 237 A CB -0.844 18.024 19.000 -0.220 0.000 0.822 237 A HN 0.364 nan 8.150 nan 0.000 0.444 238 L N -0.285 120.828 121.223 -0.183 0.000 2.093 238 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 238 L C 2.844 179.711 176.870 -0.006 0.000 1.085 238 L CA 2.163 56.932 54.840 -0.117 0.000 0.755 238 L CB -1.350 40.620 42.059 -0.148 0.000 0.904 238 L HN 0.559 nan 8.230 nan 0.000 0.435 239 S N -0.482 115.213 115.700 -0.008 0.000 2.355 239 S HA -0.142 4.328 4.470 -0.000 0.000 0.222 239 S C 1.936 176.578 174.600 0.069 0.000 1.031 239 S CA 1.077 59.304 58.200 0.045 0.000 0.993 239 S CB 0.157 63.347 63.200 -0.016 0.000 0.859 239 S HN 0.282 nan 8.310 nan 0.000 0.453 240 K N 0.961 121.358 120.400 -0.005 0.000 2.186 240 K HA 0.253 4.573 4.320 -0.000 0.000 0.202 240 K C 2.148 178.761 176.600 0.021 0.000 1.052 240 K CA 0.938 57.208 56.287 -0.028 0.000 0.965 240 K CB -0.572 31.862 32.500 -0.110 0.000 0.746 240 K HN 0.374 nan 8.250 nan 0.000 0.457 241 S N 0.102 115.814 115.700 0.020 0.000 2.497 241 S HA 0.112 4.582 4.470 -0.000 0.000 0.218 241 S C 1.688 176.326 174.600 0.064 0.000 1.023 241 S CA 0.187 58.422 58.200 0.060 0.000 0.913 241 S CB 0.470 63.669 63.200 -0.002 0.000 0.800 241 S HN 0.134 nan 8.310 nan 0.000 0.505 242 S N 0.026 115.748 115.700 0.036 0.000 2.979 242 S HA 0.204 4.674 4.470 -0.000 0.000 0.243 242 S C 1.398 176.006 174.600 0.014 0.000 1.036 242 S CA -0.238 57.960 58.200 -0.004 0.000 0.846 242 S CB -0.669 62.535 63.200 0.006 0.000 0.806 242 S HN 0.453 nan 8.310 nan 0.000 0.568 243 Y N 3.977 124.277 120.300 -0.001 0.000 2.256 243 Y HA -0.196 4.354 4.550 -0.000 0.000 0.288 243 Y C 2.534 178.474 175.900 0.066 0.000 1.155 243 Y CA 1.508 59.624 58.100 0.025 0.000 1.203 243 Y CB -0.570 37.906 38.460 0.028 0.000 0.980 243 Y HN 0.386 nan 8.280 nan 0.000 0.530 244 S N 0.101 115.850 115.700 0.083 0.000 2.402 244 S HA -0.245 4.225 4.470 -0.000 0.000 0.233 244 S C 2.068 176.720 174.600 0.086 0.000 1.030 244 S CA 1.472 59.752 58.200 0.134 0.000 1.003 244 S CB -1.010 62.354 63.200 0.273 0.000 0.813 244 S HN 0.603 nan 8.310 nan 0.000 0.477 245 L N 0.974 122.141 121.223 -0.095 0.000 2.044 245 L HA 0.041 4.381 4.340 -0.000 0.000 0.205 245 L C 2.440 179.210 176.870 -0.168 0.000 1.075 245 L CA 1.616 56.322 54.840 -0.224 0.000 0.747 245 L CB -0.545 41.233 42.059 -0.467 0.000 0.903 245 L HN 0.349 nan 8.230 nan 0.000 0.435 246 I N -0.499 119.907 120.570 -0.273 0.000 2.163 246 I HA -0.347 3.823 4.170 -0.000 0.000 0.243 246 I C 2.834 178.776 176.117 -0.291 0.000 1.085 246 I CA 1.660 62.784 61.300 -0.293 0.000 1.347 246 I CB -0.388 37.380 38.000 -0.386 0.000 1.044 246 I HN 0.286 nan 8.210 nan 0.000 0.408 247 S N 0.788 116.220 115.700 -0.447 0.000 2.368 247 S HA -0.134 4.336 4.470 -0.000 0.000 0.224 247 S C 2.130 176.866 174.600 0.227 0.000 1.029 247 S CA 0.982 59.125 58.200 -0.095 0.000 0.988 247 S CB -0.304 62.918 63.200 0.037 0.000 0.838 247 S HN 0.350 nan 8.310 nan 0.000 0.462 248 L N 0.893 122.247 121.223 0.219 0.000 2.013 248 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 248 L C 2.645 179.679 176.870 0.273 0.000 1.073 248 L CA 1.970 56.993 54.840 0.305 0.000 0.753 248 L CB -0.827 41.323 42.059 0.150 0.000 0.890 248 L HN 0.510 nan 8.230 nan 0.000 0.432 249 C N -0.592 118.768 119.300 0.101 0.000 2.432 249 C HA -0.174 4.286 4.460 -0.000 0.000 0.277 249 C C 2.762 177.776 174.990 0.041 0.000 1.249 249 C CA 0.960 60.014 59.018 0.059 0.000 1.725 249 C CB -0.636 27.100 27.740 -0.006 0.000 2.028 249 C HN 0.451 nan 8.230 nan 0.000 0.477 250 K N 0.506 120.887 120.400 -0.032 0.000 2.044 250 K HA -0.170 4.150 4.320 -0.000 0.000 0.210 250 K C 1.584 178.042 176.600 -0.237 0.000 1.049 250 K CA 2.037 58.209 56.287 -0.192 0.000 0.927 250 K CB -0.740 31.549 32.500 -0.350 0.000 0.713 250 K HN 0.660 nan 8.250 nan 0.000 0.443 251 Y N -1.654 118.712 120.300 0.111 0.000 2.420 251 Y HA 0.071 4.621 4.550 -0.000 0.000 0.292 251 Y C 1.688 177.562 175.900 -0.044 0.000 1.119 251 Y CA 0.671 58.800 58.100 0.049 0.000 1.229 251 Y CB 0.032 38.551 38.460 0.098 0.000 1.026 251 Y HN -0.023 nan 8.280 nan 0.000 0.554 252 F N -1.245 118.762 119.950 0.094 0.000 2.569 252 F HA -0.099 4.428 4.527 0.000 0.000 0.295 252 F C 2.223 177.983 175.800 -0.067 0.000 1.115 252 F CA 0.471 58.489 58.000 0.029 0.000 1.450 252 F CB -0.283 38.758 39.000 0.069 0.000 1.107 252 F HN -0.115 nan 8.300 nan 0.000 0.563 253 V N -1.527 118.386 119.914 -0.001 0.000 2.392 253 V HA -0.281 3.839 4.120 -0.000 0.000 0.249 253 V C 1.948 177.892 176.094 -0.251 0.000 1.059 253 V CA 2.016 64.190 62.300 -0.210 0.000 1.051 253 V CB -0.927 30.599 31.823 -0.495 0.000 0.658 253 V HN 0.320 nan 8.190 nan 0.000 0.455 254 N N 1.688 120.262 118.700 -0.210 0.000 2.348 254 N HA -0.069 4.671 4.740 -0.000 0.000 0.185 254 N C 1.555 176.930 175.510 -0.225 0.000 1.019 254 N CA 2.176 55.105 53.050 -0.202 0.000 0.880 254 N CB -0.299 38.081 38.487 -0.179 0.000 0.965 254 N HN 0.890 nan 8.380 nan 0.000 0.437 255 I N -3.273 117.177 120.570 -0.200 0.000 3.914 255 I HA 0.324 4.494 4.170 -0.000 0.000 0.333 255 I C -0.002 176.111 176.117 -0.006 0.000 1.449 255 I CA -0.162 61.038 61.300 -0.166 0.000 1.135 255 I CB 0.066 37.944 38.000 -0.204 0.000 1.073 255 I HN -0.208 nan 8.210 nan 0.000 0.401 256 M N 1.141 120.726 119.600 -0.025 0.000 2.598 256 M HA 0.517 4.997 4.480 -0.000 0.000 0.317 256 M C -0.406 175.896 176.300 0.003 0.000 1.179 256 M CA -0.621 54.688 55.300 0.016 0.000 0.936 256 M CB 2.405 35.015 32.600 0.017 0.000 1.713 256 M HN 0.002 nan 8.290 nan 0.000 0.460 257 K N 1.365 121.780 120.400 0.026 0.000 2.126 257 K HA 0.444 4.764 4.320 -0.000 0.000 0.257 257 K C -2.492 174.124 176.600 0.028 0.000 1.007 257 K CA -1.634 54.669 56.287 0.028 0.000 0.928 257 K CB 0.066 32.585 32.500 0.032 0.000 1.013 257 K HN 0.238 nan 8.250 nan 0.000 0.473 258 P HA -0.078 nan 4.420 nan 0.000 0.267 258 P C -0.768 176.551 177.300 0.032 0.000 1.201 258 P CA 0.477 63.607 63.100 0.050 0.000 0.775 258 P CB 0.370 32.099 31.700 0.047 0.000 0.854 259 Q N -1.987 117.832 119.800 0.030 0.000 2.460 259 Q HA -0.172 4.168 4.340 -0.000 0.000 0.248 259 Q C 0.028 176.030 176.000 0.004 0.000 0.847 259 Q CA 0.519 56.329 55.803 0.012 0.000 1.214 259 Q CB -2.263 26.478 28.738 0.005 0.000 1.523 259 Q HN 0.422 nan 8.270 nan 0.000 0.602 260 S N -0.263 115.443 115.700 0.011 0.000 2.617 260 S HA 0.489 4.959 4.470 -0.000 0.000 0.259 260 S C 0.125 174.720 174.600 -0.008 0.000 1.301 260 S CA -0.119 58.083 58.200 0.004 0.000 0.984 260 S CB 1.673 64.881 63.200 0.014 0.000 0.954 260 S HN 0.325 nan 8.310 nan 0.000 0.572 261 S N -0.142 115.549 115.700 -0.015 0.000 2.536 261 S HA 0.684 5.154 4.470 -0.000 0.000 0.271 261 S C -1.523 173.058 174.600 -0.031 0.000 1.134 261 S CA -0.717 57.463 58.200 -0.033 0.000 0.897 261 S CB 0.386 63.550 63.200 -0.060 0.000 1.094 261 S HN 0.526 nan 8.310 nan 0.000 0.473 262 I N 4.538 125.086 120.570 -0.037 0.000 2.582 262 I HA 0.603 4.773 4.170 -0.000 0.000 0.292 262 I C -0.790 175.296 176.117 -0.051 0.000 1.066 262 I CA -0.965 60.310 61.300 -0.041 0.000 1.053 262 I CB 1.932 39.913 38.000 -0.032 0.000 1.241 262 I HN 0.703 nan 8.210 nan 0.000 0.421 263 I N 2.218 122.754 120.570 -0.056 0.000 2.828 263 I HA 0.845 5.015 4.170 -0.000 0.000 0.302 263 I C -0.222 175.866 176.117 -0.048 0.000 1.101 263 I CA -0.316 60.949 61.300 -0.058 0.000 1.031 263 I CB 2.329 40.293 38.000 -0.061 0.000 1.231 263 I HN 0.588 nan 8.210 nan 0.000 0.427 264 S N 3.931 119.599 115.700 -0.054 0.000 2.745 264 S HA 0.825 5.295 4.470 -0.000 0.000 0.306 264 S C -0.909 173.673 174.600 -0.029 0.000 1.137 264 S CA -0.961 57.227 58.200 -0.020 0.000 0.900 264 S CB 1.576 64.702 63.200 -0.122 0.000 1.176 264 S HN 0.699 nan 8.310 nan 0.000 0.520 265 L N 0.952 122.185 121.223 0.017 0.000 2.341 265 L HA 0.703 5.043 4.340 -0.000 0.000 0.278 265 L C 0.161 177.042 176.870 0.019 0.000 1.005 265 L CA -0.374 54.455 54.840 -0.018 0.000 0.818 265 L CB 2.050 44.102 42.059 -0.011 0.000 1.259 265 L HN 0.900 nan 8.230 nan 0.000 0.418 266 T N 0.765 115.314 114.554 -0.009 0.000 2.724 266 T HA 0.627 4.977 4.350 -0.000 0.000 0.274 266 T C -1.890 172.885 174.700 0.124 0.000 0.984 266 T CA -0.305 61.822 62.100 0.045 0.000 1.024 266 T CB 1.585 70.442 68.868 -0.017 0.000 1.320 266 T HN 0.402 nan 8.240 nan 0.000 0.555 267 Y N -0.179 120.104 120.300 -0.029 0.000 2.544 267 Y HA 0.423 4.973 4.550 -0.000 0.000 0.342 267 Y C 0.449 176.348 175.900 -0.002 0.000 1.062 267 Y CA -0.943 57.130 58.100 -0.045 0.000 1.023 267 Y CB 1.415 39.788 38.460 -0.144 0.000 1.308 267 Y HN 0.888 nan 8.280 nan 0.000 0.457 268 H N 3.592 122.246 119.070 -0.694 0.000 2.543 268 H HA 0.060 4.616 4.556 -0.000 0.000 0.286 268 H C 1.660 176.733 175.328 -0.425 0.000 1.037 268 H CA 1.576 57.394 56.048 -0.383 0.000 1.250 268 H CB 0.121 29.754 29.762 -0.215 0.000 1.373 268 H HN 0.719 nan 8.280 nan 0.000 0.580 269 A N -0.236 122.163 122.820 -0.703 0.000 2.131 269 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 269 A C 2.555 180.064 177.584 -0.124 0.000 1.158 269 A CA 1.500 53.335 52.037 -0.337 0.000 0.665 269 A CB -0.799 18.051 19.000 -0.250 0.000 0.795 269 A HN 0.637 nan 8.150 nan 0.000 0.460 270 S N -1.085 114.558 115.700 -0.094 0.000 2.399 270 S HA -0.182 4.288 4.470 -0.000 0.000 0.231 270 S C 1.727 176.284 174.600 -0.072 0.000 1.022 270 S CA 1.416 59.603 58.200 -0.021 0.000 0.983 270 S CB -0.189 63.015 63.200 0.007 0.000 0.803 270 S HN 0.587 nan 8.310 nan 0.000 0.480 271 Q N 0.272 119.957 119.800 -0.192 0.000 2.423 271 Q HA 0.398 4.738 4.340 -0.000 0.000 0.231 271 Q C -0.044 175.788 176.000 -0.279 0.000 0.894 271 Q CA 0.707 56.385 55.803 -0.208 0.000 0.938 271 Q CB 0.357 28.991 28.738 -0.174 0.000 1.079 271 Q HN 0.438 nan 8.270 nan 0.000 0.552 272 K N 0.565 120.713 120.400 -0.420 0.000 2.469 272 K HA 0.421 4.741 4.320 -0.000 0.000 0.254 272 K C -0.711 175.787 176.600 -0.170 0.000 0.939 272 K CA -0.840 55.283 56.287 -0.274 0.000 0.812 272 K CB 2.875 35.195 32.500 -0.301 0.000 1.301 272 K HN -0.222 nan 8.250 nan 0.000 0.433 273 V N 2.008 121.884 119.914 -0.064 0.000 2.479 273 V HA 0.096 4.216 4.120 -0.000 0.000 0.281 273 V C 0.099 176.209 176.094 0.027 0.000 1.031 273 V CA -0.455 61.843 62.300 -0.002 0.000 1.038 273 V CB 0.763 32.600 31.823 0.023 0.000 0.981 273 V HN 0.363 nan 8.190 nan 0.000 0.478 274 V N 7.889 127.853 119.914 0.084 0.000 2.284 274 V HA 0.298 4.418 4.120 -0.000 0.000 0.274 274 V C -2.222 174.017 176.094 0.242 0.000 1.023 274 V CA -1.752 60.659 62.300 0.184 0.000 0.808 274 V CB 1.260 33.247 31.823 0.274 0.000 1.035 274 V HN 0.770 nan 8.190 nan 0.000 0.445 275 P HA 0.320 nan 4.420 nan 0.000 0.265 275 P C 1.093 178.523 177.300 0.217 0.000 1.193 275 P CA 1.271 64.459 63.100 0.148 0.000 0.765 275 P CB 0.884 32.636 31.700 0.086 0.000 0.823 276 G N 2.203 111.093 108.800 0.150 0.000 2.349 276 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.213 276 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.213 276 G C -0.015 174.856 174.900 -0.048 0.000 1.044 276 G CA -0.430 44.736 45.100 0.111 0.000 0.633 276 G HN 0.520 nan 8.290 nan 0.000 0.506 277 Y N 3.852 124.106 120.300 -0.076 0.000 2.532 277 Y HA 0.505 5.055 4.550 -0.000 0.000 0.337 277 Y C 1.168 177.028 175.900 -0.066 0.000 1.274 277 Y CA 0.248 58.260 58.100 -0.147 0.000 1.817 277 Y CB -0.304 38.212 38.460 0.094 0.000 1.769 277 Y HN 0.429 nan 8.280 nan 0.000 0.447 278 G N 0.684 109.362 108.800 -0.203 0.000 2.583 278 G HA2 0.447 4.407 3.960 -0.000 0.000 0.280 278 G HA3 0.447 4.407 3.960 -0.000 0.000 0.280 278 G C 0.735 175.533 174.900 -0.170 0.000 1.376 278 G CA -0.503 44.523 45.100 -0.123 0.000 1.043 278 G HN 0.983 nan 8.290 nan 0.000 0.538 279 G N -2.239 106.515 108.800 -0.078 0.000 2.155 279 G HA2 0.216 4.176 3.960 -0.000 0.000 0.257 279 G HA3 0.216 4.176 3.960 -0.000 0.000 0.257 279 G C 1.465 176.332 174.900 -0.056 0.000 0.983 279 G CA 1.222 46.285 45.100 -0.061 0.000 0.676 279 G HN 2.553 nan 8.290 nan 0.000 0.528 280 G N -1.603 107.175 108.800 -0.037 0.000 2.157 280 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.248 280 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.248 280 G C 1.239 176.022 174.900 -0.195 0.000 0.979 280 G CA 1.008 46.044 45.100 -0.107 0.000 0.650 280 G HN 0.648 nan 8.290 nan 0.000 0.529 281 M N 1.673 121.136 119.600 -0.228 0.000 2.149 281 M HA -0.104 4.376 4.480 -0.000 0.000 0.261 281 M C 2.880 179.198 176.300 0.031 0.000 1.064 281 M CA 2.443 57.579 55.300 -0.273 0.000 1.102 281 M CB -1.406 30.726 32.600 -0.781 0.000 1.369 281 M HN 0.789 nan 8.290 nan 0.000 0.408 282 S N -0.207 115.587 115.700 0.157 0.000 2.368 282 S HA -0.111 4.359 4.470 -0.000 0.000 0.225 282 S C 2.020 176.704 174.600 0.140 0.000 1.030 282 S CA 1.677 60.061 58.200 0.307 0.000 0.999 282 S CB -0.739 62.627 63.200 0.276 0.000 0.844 282 S HN 0.467 nan 8.310 nan 0.000 0.459 283 S N 3.074 118.810 115.700 0.061 0.000 2.356 283 S HA 0.055 4.525 4.470 -0.000 0.000 0.223 283 S C 2.364 176.941 174.600 -0.039 0.000 1.032 283 S CA 1.046 59.254 58.200 0.013 0.000 1.005 283 S CB -1.050 62.122 63.200 -0.047 0.000 0.867 283 S HN 0.806 nan 8.310 nan 0.000 0.449 284 A N 2.260 125.024 122.820 -0.093 0.000 1.908 284 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 284 A C 2.112 179.698 177.584 0.004 0.000 1.181 284 A CA 1.398 53.392 52.037 -0.073 0.000 0.627 284 A CB -0.383 18.562 19.000 -0.091 0.000 0.818 284 A HN 0.235 nan 8.150 nan 0.000 0.445 285 K N -0.100 120.340 120.400 0.067 0.000 2.097 285 K HA 0.040 4.360 4.320 -0.000 0.000 0.205 285 K C 2.229 178.857 176.600 0.047 0.000 1.050 285 K CA 1.273 57.613 56.287 0.088 0.000 0.938 285 K CB -0.909 31.700 32.500 0.181 0.000 0.718 285 K HN 0.456 nan 8.250 nan 0.000 0.442 286 A N 1.457 124.304 122.820 0.045 0.000 1.902 286 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 286 A C 2.417 180.014 177.584 0.021 0.000 1.181 286 A CA 2.105 54.160 52.037 0.031 0.000 0.623 286 A CB -0.622 18.400 19.000 0.037 0.000 0.818 286 A HN 0.282 nan 8.150 nan 0.000 0.443 287 A N -0.559 122.272 122.820 0.017 0.000 1.902 287 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 287 A C 2.148 179.732 177.584 0.000 0.000 1.181 287 A CA 1.660 53.705 52.037 0.014 0.000 0.623 287 A CB -0.656 18.352 19.000 0.012 0.000 0.818 287 A HN 0.658 nan 8.150 nan 0.000 0.443 288 L N 0.089 121.304 121.223 -0.013 0.000 2.042 288 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 288 L C 2.229 179.076 176.870 -0.038 0.000 1.076 288 L CA 2.490 57.303 54.840 -0.044 0.000 0.749 288 L CB -0.481 41.546 42.059 -0.054 0.000 0.893 288 L HN 0.528 nan 8.230 nan 0.000 0.432 289 E N -1.497 118.691 120.200 -0.019 0.000 2.106 289 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 289 E C 2.248 178.844 176.600 -0.007 0.000 0.984 289 E CA 1.146 57.535 56.400 -0.018 0.000 0.806 289 E CB -0.128 29.567 29.700 -0.008 0.000 0.750 289 E HN 0.526 nan 8.360 nan 0.000 0.458 290 S N 0.736 116.437 115.700 0.003 0.000 2.357 290 S HA -0.154 4.316 4.470 -0.000 0.000 0.221 290 S C 1.480 176.087 174.600 0.013 0.000 1.031 290 S CA 1.289 59.495 58.200 0.010 0.000 0.982 290 S CB -0.166 63.044 63.200 0.017 0.000 0.853 290 S HN 0.131 nan 8.310 nan 0.000 0.458 291 D N 0.877 121.282 120.400 0.009 0.000 2.182 291 D HA -0.061 4.579 4.640 -0.000 0.000 0.201 291 D C 1.982 178.287 176.300 0.008 0.000 0.986 291 D CA 1.363 55.371 54.000 0.013 0.000 0.847 291 D CB -0.896 39.900 40.800 -0.007 0.000 0.942 291 D HN 0.397 nan 8.370 nan 0.000 0.467 292 T N 0.618 115.164 114.554 -0.013 0.000 2.788 292 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 292 T C 1.989 176.695 174.700 0.010 0.000 1.044 292 T CA 0.954 63.045 62.100 -0.016 0.000 1.139 292 T CB 0.050 68.897 68.868 -0.034 0.000 0.867 292 T HN 0.186 nan 8.240 nan 0.000 0.454 293 R N 0.219 120.728 120.500 0.015 0.000 2.066 293 R HA -0.006 4.334 4.340 -0.000 0.000 0.232 293 R C 2.547 178.877 176.300 0.049 0.000 1.131 293 R CA 1.006 57.121 56.100 0.024 0.000 0.955 293 R CB -0.676 29.630 30.300 0.010 0.000 0.851 293 R HN 0.235 nan 8.270 nan 0.000 0.432 294 V N 1.744 121.694 119.914 0.058 0.000 2.295 294 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 294 V C 2.359 178.563 176.094 0.183 0.000 1.049 294 V CA 1.643 64.007 62.300 0.107 0.000 1.024 294 V CB -0.477 31.420 31.823 0.123 0.000 0.648 294 V HN 0.271 nan 8.190 nan 0.000 0.447 295 L N 0.185 121.492 121.223 0.140 0.000 2.042 295 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 295 L C 2.778 179.716 176.870 0.113 0.000 1.076 295 L CA 1.625 56.547 54.840 0.136 0.000 0.749 295 L CB -0.874 41.222 42.059 0.062 0.000 0.893 295 L HN 0.370 nan 8.230 nan 0.000 0.432 296 A N -0.499 122.368 122.820 0.078 0.000 1.917 296 A HA -0.313 4.007 4.320 -0.000 0.000 0.219 296 A C 2.204 179.829 177.584 0.067 0.000 1.182 296 A CA 1.957 54.030 52.037 0.060 0.000 0.633 296 A CB -0.995 18.032 19.000 0.045 0.000 0.819 296 A HN 0.536 nan 8.150 nan 0.000 0.448 297 Y N -0.280 119.983 120.300 -0.061 0.000 2.114 297 Y HA -0.280 4.270 4.550 -0.000 0.000 0.284 297 Y C 2.649 178.469 175.900 -0.133 0.000 1.143 297 Y CA 2.306 60.323 58.100 -0.138 0.000 1.135 297 Y CB -0.318 37.991 38.460 -0.251 0.000 0.980 297 Y HN 0.456 nan 8.280 nan 0.000 0.499 298 H N 0.235 119.228 119.070 -0.128 0.000 2.326 298 H HA -0.121 4.435 4.556 -0.000 0.000 0.301 298 H C 2.390 177.639 175.328 -0.133 0.000 1.081 298 H CA 1.980 57.897 56.048 -0.220 0.000 1.334 298 H CB -0.503 29.251 29.762 -0.013 0.000 1.385 298 H HN 0.402 nan 8.280 nan 0.000 0.504 299 L N -0.219 121.080 121.223 0.127 0.000 2.083 299 L HA -0.085 4.255 4.340 -0.000 0.000 0.209 299 L C 2.775 179.699 176.870 0.089 0.000 1.083 299 L CA 1.057 56.012 54.840 0.192 0.000 0.752 299 L CB -0.681 41.469 42.059 0.150 0.000 0.899 299 L HN 0.278 nan 8.230 nan 0.000 0.433 300 G N -0.386 108.406 108.800 -0.013 0.000 2.404 300 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.214 300 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.214 300 G C 1.746 176.582 174.900 -0.107 0.000 1.189 300 G CA 0.110 45.185 45.100 -0.041 0.000 0.789 300 G HN 0.113 nan 8.290 nan 0.000 0.533 301 R N 0.689 121.052 120.500 -0.229 0.000 2.075 301 R HA 0.016 4.356 4.340 -0.000 0.000 0.232 301 R C 2.209 178.359 176.300 -0.250 0.000 1.126 301 R CA 1.019 56.960 56.100 -0.265 0.000 0.963 301 R CB -0.727 29.302 30.300 -0.451 0.000 0.858 301 R HN 0.319 nan 8.270 nan 0.000 0.435 302 N N -0.417 118.088 118.700 -0.325 0.000 2.333 302 N HA -0.058 4.682 4.740 -0.000 0.000 0.178 302 N C 0.993 176.107 175.510 -0.659 0.000 1.018 302 N CA 1.062 53.774 53.050 -0.563 0.000 0.882 302 N CB 0.085 38.068 38.487 -0.839 0.000 0.984 302 N HN 0.340 nan 8.380 nan 0.000 0.434 303 Y N -0.796 119.478 120.300 -0.044 0.000 2.563 303 Y HA 0.239 4.789 4.550 -0.000 0.000 0.250 303 Y C 0.327 176.211 175.900 -0.026 0.000 1.126 303 Y CA -0.616 57.466 58.100 -0.029 0.000 1.231 303 Y CB 0.297 38.746 38.460 -0.019 0.000 1.288 303 Y HN -0.129 nan 8.280 nan 0.000 0.537 304 N N 1.476 120.218 118.700 0.070 0.000 2.725 304 N HA -0.218 4.522 4.740 -0.000 0.000 0.249 304 N C -0.940 174.605 175.510 0.058 0.000 1.103 304 N CA 0.511 53.586 53.050 0.041 0.000 0.707 304 N CB -1.319 37.184 38.487 0.027 0.000 1.043 304 N HN 0.454 nan 8.380 nan 0.000 0.553 305 I N 0.660 121.283 120.570 0.089 0.000 2.460 305 I HA 0.318 4.487 4.170 -0.000 0.000 0.298 305 I C 0.810 176.947 176.117 0.034 0.000 0.989 305 I CA -0.756 60.580 61.300 0.060 0.000 1.173 305 I CB 1.396 39.438 38.000 0.070 0.000 1.338 305 I HN -0.009 nan 8.210 nan 0.000 0.456 306 R N 5.698 126.202 120.500 0.006 0.000 2.598 306 R HA 0.729 5.069 4.340 -0.000 0.000 0.279 306 R C -0.851 175.441 176.300 -0.013 0.000 0.984 306 R CA -0.771 55.324 56.100 -0.009 0.000 0.999 306 R CB 2.323 32.604 30.300 -0.032 0.000 1.114 306 R HN 0.541 nan 8.270 nan 0.000 0.493 307 I N 1.306 121.868 120.570 -0.013 0.000 2.656 307 I HA 0.389 4.559 4.170 -0.000 0.000 0.292 307 I C -1.496 174.605 176.117 -0.027 0.000 1.144 307 I CA -0.628 60.658 61.300 -0.022 0.000 1.038 307 I CB 1.932 39.923 38.000 -0.014 0.000 1.244 307 I HN 0.670 nan 8.210 nan 0.000 0.420 308 N N 3.293 121.968 118.700 -0.041 0.000 2.647 308 N HA 0.450 5.190 4.740 -0.000 0.000 0.266 308 N C -1.534 173.943 175.510 -0.056 0.000 1.373 308 N CA -0.504 52.521 53.050 -0.041 0.000 0.807 308 N CB 2.429 40.893 38.487 -0.039 0.000 1.513 308 N HN 0.489 nan 8.380 nan 0.000 0.505 309 T N 0.308 114.824 114.554 -0.064 0.000 2.893 309 T HA 0.616 4.966 4.350 -0.000 0.000 0.293 309 T C -1.004 173.630 174.700 -0.111 0.000 1.027 309 T CA -0.483 61.567 62.100 -0.084 0.000 0.988 309 T CB 0.642 69.458 68.868 -0.087 0.000 1.043 309 T HN 0.285 nan 8.240 nan 0.000 0.461 310 I N 3.468 123.964 120.570 -0.124 0.000 2.321 310 I HA 0.325 4.495 4.170 -0.000 0.000 0.291 310 I C 0.482 176.471 176.117 -0.214 0.000 0.998 310 I CA -0.450 60.753 61.300 -0.162 0.000 1.227 310 I CB 1.751 39.659 38.000 -0.153 0.000 1.368 310 I HN 0.485 nan 8.210 nan 0.000 0.466 311 S N 6.083 121.582 115.700 -0.335 0.000 2.409 311 S HA 0.576 5.046 4.470 -0.000 0.000 0.308 311 S C 0.093 174.573 174.600 -0.200 0.000 1.080 311 S CA -0.659 57.312 58.200 -0.382 0.000 1.081 311 S CB 0.019 62.636 63.200 -0.972 0.000 1.009 311 S HN 0.639 nan 8.310 nan 0.000 0.502 312 A N 4.165 126.931 122.820 -0.091 0.000 2.316 312 A HA 0.739 5.059 4.320 -0.000 0.000 0.284 312 A C 0.900 178.592 177.584 0.180 0.000 1.115 312 A CA -0.245 51.749 52.037 -0.072 0.000 0.812 312 A CB 0.293 19.063 19.000 -0.383 0.000 1.064 312 A HN 0.868 nan 8.150 nan 0.000 0.489 313 G N 0.510 109.428 108.800 0.197 0.000 2.588 313 G HA2 0.530 4.490 3.960 -0.000 0.000 0.278 313 G HA3 0.530 4.490 3.960 -0.000 0.000 0.278 313 G C -2.533 172.540 174.900 0.289 0.000 1.307 313 G CA -1.164 44.097 45.100 0.269 0.000 1.016 313 G HN 0.604 nan 8.290 nan 0.000 0.503 314 P HA 0.356 nan 4.420 nan 0.000 0.276 314 P C -1.001 176.346 177.300 0.078 0.000 1.230 314 P CA -0.298 62.868 63.100 0.110 0.000 0.776 314 P CB 1.586 33.315 31.700 0.050 0.000 0.888 315 L N 2.269 123.486 121.223 -0.010 0.000 2.431 315 L HA 0.445 4.785 4.340 -0.000 0.000 0.266 315 L C 0.176 176.971 176.870 -0.124 0.000 0.978 315 L CA -0.803 53.949 54.840 -0.146 0.000 0.822 315 L CB 2.152 43.894 42.059 -0.527 0.000 1.310 315 L HN 0.185 nan 8.230 nan 0.000 0.409 316 K N 2.789 123.131 120.400 -0.095 0.000 2.449 316 K HA 0.257 4.577 4.320 -0.000 0.000 0.237 316 K C -0.124 176.427 176.600 -0.081 0.000 1.265 316 K CA 0.017 56.270 56.287 -0.058 0.000 1.193 316 K CB -0.249 32.230 32.500 -0.034 0.000 1.515 316 K HN 0.743 nan 8.250 nan 0.000 0.259 317 S N 0.247 115.886 115.700 -0.101 0.000 2.681 317 S HA 0.186 4.655 4.470 -0.000 0.000 0.270 317 S C 1.230 175.801 174.600 -0.049 0.000 1.209 317 S CA -0.900 57.237 58.200 -0.104 0.000 0.988 317 S CB 1.633 64.751 63.200 -0.136 0.000 1.006 317 S HN 0.571 nan 8.310 nan 0.000 0.558 318 R N 0.552 121.028 120.500 -0.040 0.000 2.080 318 R HA -0.132 4.208 4.340 -0.000 0.000 0.236 318 R C 2.281 178.577 176.300 -0.006 0.000 1.137 318 R CA 1.881 57.975 56.100 -0.011 0.000 0.943 318 R CB -1.498 28.805 30.300 0.006 0.000 0.846 318 R HN 0.850 nan 8.270 nan 0.000 0.431 319 A N 0.979 123.786 122.820 -0.022 0.000 1.917 319 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 319 A C 2.457 180.032 177.584 -0.015 0.000 1.182 319 A CA 2.110 54.129 52.037 -0.031 0.000 0.633 319 A CB -0.823 18.145 19.000 -0.054 0.000 0.819 319 A HN 0.588 nan 8.150 nan 0.000 0.448 320 A N -1.197 121.626 122.820 0.005 0.000 1.902 320 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 320 A C 2.270 179.906 177.584 0.087 0.000 1.181 320 A CA 2.281 54.355 52.037 0.061 0.000 0.623 320 A CB -1.335 17.703 19.000 0.065 0.000 0.818 320 A HN 0.433 nan 8.150 nan 0.000 0.443 321 T N 0.227 114.813 114.554 0.053 0.000 2.849 321 T HA -0.009 4.341 4.350 -0.000 0.000 0.270 321 T C 1.967 176.695 174.700 0.047 0.000 1.066 321 T CA 1.328 63.462 62.100 0.057 0.000 1.130 321 T CB -0.307 68.581 68.868 0.034 0.000 0.864 321 T HN 0.592 nan 8.240 nan 0.000 0.481 322 A N 0.708 123.539 122.820 0.020 0.000 2.119 322 A HA 0.235 4.555 4.320 -0.000 0.000 0.216 322 A C 0.970 178.535 177.584 -0.031 0.000 1.152 322 A CA 0.197 52.233 52.037 -0.002 0.000 0.708 322 A CB -0.487 18.505 19.000 -0.013 0.000 0.805 322 A HN 0.534 nan 8.150 nan 0.000 0.460 323 I N 1.884 122.424 120.570 -0.050 0.000 2.496 323 I HA 0.118 4.288 4.170 -0.000 0.000 0.285 323 I C -0.349 175.745 176.117 -0.038 0.000 1.080 323 I CA -0.332 60.879 61.300 -0.149 0.000 1.404 323 I CB 0.334 38.090 38.000 -0.408 0.000 1.403 323 I HN 0.244 nan 8.210 nan 0.000 0.539 368 F N 2.340 122.338 119.950 0.081 0.000 2.063 368 F HA -0.110 4.417 4.527 -0.000 0.000 0.298 368 F C 1.723 177.619 175.800 0.160 0.000 1.109 368 F CA 2.124 60.193 58.000 0.116 0.000 1.212 368 F CB -0.301 38.755 39.000 0.093 0.000 0.973 368 F HN 0.262 nan 8.300 nan 0.000 0.480 369 I N 1.170 121.867 120.570 0.211 0.000 2.286 369 I HA -0.270 3.900 4.170 -0.000 0.000 0.248 369 I C 1.993 178.103 176.117 -0.012 0.000 1.115 369 I CA 1.718 63.051 61.300 0.054 0.000 1.392 369 I CB -0.840 37.261 38.000 0.169 0.000 1.065 369 I HN 0.225 nan 8.210 nan 0.000 0.418 370 D N -0.727 119.702 120.400 0.047 0.000 2.117 370 D HA -0.266 4.374 4.640 -0.000 0.000 0.197 370 D C 2.009 178.335 176.300 0.044 0.000 0.987 370 D CA 1.474 55.499 54.000 0.042 0.000 0.829 370 D CB -0.514 40.324 40.800 0.062 0.000 0.961 370 D HN 0.443 nan 8.370 nan 0.000 0.460 371 Y N 2.025 122.285 120.300 -0.067 0.000 2.128 371 Y HA -0.215 4.335 4.550 -0.000 0.000 0.284 371 Y C 2.388 178.250 175.900 -0.064 0.000 1.154 371 Y CA 1.869 59.933 58.100 -0.060 0.000 1.149 371 Y CB -0.411 37.996 38.460 -0.089 0.000 0.976 371 Y HN -0.053 nan 8.280 nan 0.000 0.505 372 A N 0.349 123.036 122.820 -0.222 0.000 1.902 372 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 372 A C 2.319 179.836 177.584 -0.112 0.000 1.181 372 A CA 1.992 53.880 52.037 -0.248 0.000 0.623 372 A CB -1.144 17.660 19.000 -0.326 0.000 0.818 372 A HN 0.588 nan 8.150 nan 0.000 0.443 373 I N -0.800 119.719 120.570 -0.084 0.000 2.179 373 I HA -0.256 3.914 4.170 -0.000 0.000 0.242 373 I C 2.595 178.678 176.117 -0.057 0.000 1.088 373 I CA 1.834 63.111 61.300 -0.039 0.000 1.357 373 I CB -0.344 37.640 38.000 -0.027 0.000 1.051 373 I HN 0.527 nan 8.210 nan 0.000 0.409 374 E N 0.423 120.571 120.200 -0.086 0.000 2.051 374 E HA -0.299 4.051 4.350 -0.000 0.000 0.192 374 E C 2.285 178.796 176.600 -0.149 0.000 0.991 374 E CA 1.462 57.798 56.400 -0.107 0.000 0.799 374 E CB -0.205 29.445 29.700 -0.082 0.000 0.748 374 E HN 0.471 nan 8.360 nan 0.000 0.449 375 Y N 0.692 120.796 120.300 -0.328 0.000 2.181 375 Y HA -0.235 4.315 4.550 -0.000 0.000 0.288 375 Y C 2.676 178.524 175.900 -0.087 0.000 1.146 375 Y CA 1.973 59.930 58.100 -0.238 0.000 1.164 375 Y CB -0.496 37.712 38.460 -0.420 0.000 0.982 375 Y HN 0.048 nan 8.280 nan 0.000 0.515 376 S N -0.132 115.627 115.700 0.099 0.000 2.348 376 S HA -0.228 4.242 4.470 -0.000 0.000 0.221 376 S C 1.859 176.433 174.600 -0.043 0.000 1.033 376 S CA 1.784 60.031 58.200 0.078 0.000 1.010 376 S CB -0.401 62.855 63.200 0.093 0.000 0.891 376 S HN 0.657 nan 8.310 nan 0.000 0.442 377 E N 0.296 120.448 120.200 -0.080 0.000 2.265 377 E HA -0.125 4.225 4.350 -0.000 0.000 0.196 377 E C 2.063 178.541 176.600 -0.202 0.000 0.996 377 E CA 0.804 57.139 56.400 -0.109 0.000 0.832 377 E CB -0.014 29.632 29.700 -0.089 0.000 0.756 377 E HN 0.472 nan 8.360 nan 0.000 0.491 378 K N -0.447 119.743 120.400 -0.351 0.000 2.166 378 K HA -0.041 4.279 4.320 -0.000 0.000 0.201 378 K C 1.010 177.202 176.600 -0.680 0.000 1.052 378 K CA 0.850 56.771 56.287 -0.610 0.000 0.969 378 K CB 0.276 32.212 32.500 -0.939 0.000 0.761 378 K HN 0.147 nan 8.250 nan 0.000 0.459 379 Y N -0.334 119.786 120.300 -0.300 0.000 2.430 379 Y HA 0.371 4.921 4.550 -0.000 0.000 0.254 379 Y C 0.498 176.304 175.900 -0.156 0.000 1.088 379 Y CA -0.648 57.274 58.100 -0.296 0.000 1.267 379 Y CB 0.808 38.926 38.460 -0.570 0.000 1.204 379 Y HN -0.026 nan 8.280 nan 0.000 0.515 380 A N 1.578 124.407 122.820 0.015 0.000 2.483 380 A HA 0.094 4.414 4.320 -0.000 0.000 0.238 380 A C -1.547 176.040 177.584 0.005 0.000 1.070 380 A CA -0.967 51.085 52.037 0.025 0.000 0.770 380 A CB -0.095 18.918 19.000 0.022 0.000 1.008 380 A HN 0.113 nan 8.150 nan 0.000 0.497 381 P HA -0.112 nan 4.420 nan 0.000 0.216 381 P C -0.132 177.162 177.300 -0.010 0.000 1.154 381 P CA 1.183 64.281 63.100 -0.003 0.000 0.865 381 P CB -0.037 31.659 31.700 -0.006 0.000 0.789 382 L N -0.610 120.608 121.223 -0.008 0.000 2.282 382 L HA 0.300 4.640 4.340 -0.000 0.000 0.288 382 L C 1.482 178.342 176.870 -0.017 0.000 1.033 382 L CA -0.815 54.019 54.840 -0.011 0.000 0.807 382 L CB 1.472 43.528 42.059 -0.004 0.000 1.209 382 L HN -0.217 nan 8.230 nan 0.000 0.423 383 R N 1.116 121.600 120.500 -0.026 0.000 2.240 383 R HA 0.035 4.375 4.340 -0.000 0.000 0.203 383 R C 0.206 176.489 176.300 -0.030 0.000 1.011 383 R CA 0.144 56.220 56.100 -0.040 0.000 1.007 383 R CB -0.211 30.059 30.300 -0.050 0.000 0.911 383 R HN 0.636 nan 8.270 nan 0.000 0.468 384 Q N 1.379 121.170 119.800 -0.016 0.000 2.428 384 Q HA -0.003 4.337 4.340 -0.000 0.000 0.276 384 Q C 0.044 176.042 176.000 -0.002 0.000 1.059 384 Q CA 0.381 56.179 55.803 -0.009 0.000 0.923 384 Q CB 0.360 29.098 28.738 -0.001 0.000 1.283 384 Q HN -0.068 nan 8.270 nan 0.000 0.447 385 K N 1.426 121.826 120.400 -0.000 0.000 2.412 385 K HA 0.124 4.444 4.320 -0.000 0.000 0.281 385 K C -0.828 175.787 176.600 0.026 0.000 1.027 385 K CA -0.433 55.858 56.287 0.007 0.000 0.989 385 K CB 0.271 32.772 32.500 0.002 0.000 0.935 385 K HN 0.536 nan 8.250 nan 0.000 0.475 386 L N 6.386 127.633 121.223 0.041 0.000 2.360 386 L HA 0.255 4.595 4.340 -0.000 0.000 0.276 386 L C -1.096 175.824 176.870 0.083 0.000 1.121 386 L CA 0.280 55.164 54.840 0.074 0.000 0.845 386 L CB 0.366 42.489 42.059 0.106 0.000 1.143 386 L HN 0.592 nan 8.230 nan 0.000 0.452 387 L N 3.997 125.279 121.223 0.098 0.000 2.334 387 L HA 0.431 4.771 4.340 -0.000 0.000 0.272 387 L C 1.461 178.434 176.870 0.173 0.000 1.020 387 L CA -0.318 54.579 54.840 0.095 0.000 0.812 387 L CB 1.798 43.901 42.059 0.074 0.000 1.264 387 L HN 0.810 nan 8.230 nan 0.000 0.439 388 S N -1.102 114.684 115.700 0.143 0.000 2.400 388 S HA -0.202 4.268 4.470 -0.000 0.000 0.232 388 S C 1.646 176.393 174.600 0.244 0.000 1.025 388 S CA 1.638 59.993 58.200 0.259 0.000 0.993 388 S CB -0.782 62.494 63.200 0.127 0.000 0.808 388 S HN 0.892 nan 8.310 nan 0.000 0.478 389 T N -0.705 113.939 114.554 0.151 0.000 3.035 389 T HA -0.021 4.329 4.350 -0.000 0.000 0.268 389 T C 1.212 175.960 174.700 0.080 0.000 1.109 389 T CA 1.046 63.206 62.100 0.101 0.000 1.119 389 T CB -0.480 68.435 68.868 0.079 0.000 0.900 389 T HN 0.278 nan 8.240 nan 0.000 0.503 390 D N 1.408 121.864 120.400 0.093 0.000 2.117 390 D HA 0.017 4.657 4.640 -0.000 0.000 0.198 390 D C 1.863 178.188 176.300 0.042 0.000 0.982 390 D CA 0.682 54.721 54.000 0.064 0.000 0.828 390 D CB -0.243 40.600 40.800 0.071 0.000 0.967 390 D HN 0.355 nan 8.370 nan 0.000 0.464 391 I N 1.085 121.684 120.570 0.048 0.000 2.315 391 I HA -0.078 4.092 4.170 -0.000 0.000 0.248 391 I C 2.522 178.625 176.117 -0.023 0.000 1.117 391 I CA 0.977 62.239 61.300 -0.063 0.000 1.404 391 I CB -0.793 37.020 38.000 -0.312 0.000 1.071 391 I HN -0.017 nan 8.210 nan 0.000 0.419 392 G N -0.126 108.694 108.800 0.033 0.000 2.440 392 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.218 392 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.218 392 G C 1.792 176.704 174.900 0.020 0.000 1.154 392 G CA 1.246 46.359 45.100 0.021 0.000 0.767 392 G HN 0.512 nan 8.290 nan 0.000 0.552 393 S N 0.121 115.838 115.700 0.029 0.000 2.428 393 S HA -0.029 4.441 4.470 -0.000 0.000 0.230 393 S C 2.248 176.888 174.600 0.065 0.000 1.014 393 S CA 1.206 59.429 58.200 0.038 0.000 0.957 393 S CB -0.230 62.986 63.200 0.025 0.000 0.784 393 S HN 0.118 nan 8.310 nan 0.000 0.499 394 V N 2.543 122.488 119.914 0.051 0.000 2.358 394 V HA -0.062 4.058 4.120 -0.000 0.000 0.246 394 V C 3.153 179.321 176.094 0.123 0.000 1.047 394 V CA 1.496 63.854 62.300 0.097 0.000 1.035 394 V CB -1.561 30.287 31.823 0.043 0.000 0.658 394 V HN 0.640 nan 8.190 nan 0.000 0.452 395 A N -0.209 122.635 122.820 0.040 0.000 1.883 395 A HA -0.285 4.035 4.320 -0.000 0.000 0.217 395 A C 2.586 180.180 177.584 0.017 0.000 1.186 395 A CA 2.482 54.523 52.037 0.007 0.000 0.624 395 A CB -0.992 17.991 19.000 -0.029 0.000 0.822 395 A HN 0.492 nan 8.150 nan 0.000 0.444 396 S N -1.499 114.223 115.700 0.037 0.000 2.370 396 S HA -0.197 4.273 4.470 -0.000 0.000 0.226 396 S C 1.786 176.428 174.600 0.071 0.000 1.033 396 S CA 1.813 60.036 58.200 0.038 0.000 1.011 396 S CB -0.567 62.658 63.200 0.042 0.000 0.852 396 S HN 0.648 nan 8.310 nan 0.000 0.457 397 F N 2.020 121.958 119.950 -0.020 0.000 2.102 397 F HA 0.041 4.568 4.527 0.000 0.000 0.298 397 F C 1.792 177.582 175.800 -0.016 0.000 1.105 397 F CA 1.520 59.511 58.000 -0.015 0.000 1.239 397 F CB -0.537 38.456 39.000 -0.013 0.000 0.991 397 F HN 0.193 nan 8.300 nan 0.000 0.474 398 L N -0.016 121.079 121.223 -0.213 0.000 2.191 398 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 398 L C 2.178 178.907 176.870 -0.235 0.000 1.103 398 L CA 0.931 55.587 54.840 -0.306 0.000 0.769 398 L CB -0.568 41.434 42.059 -0.095 0.000 0.908 398 L HN 0.277 nan 8.230 nan 0.000 0.438 399 L N -1.254 119.879 121.223 -0.151 0.000 2.446 399 L HA 0.050 4.390 4.340 -0.000 0.000 0.219 399 L C 1.504 178.311 176.870 -0.106 0.000 1.116 399 L CA -0.183 54.595 54.840 -0.103 0.000 0.844 399 L CB -0.062 41.960 42.059 -0.061 0.000 0.970 399 L HN 0.249 nan 8.230 nan 0.000 0.457 400 S N -0.871 114.744 115.700 -0.142 0.000 2.669 400 S HA 0.239 4.709 4.470 -0.000 0.000 0.270 400 S C 1.133 175.646 174.600 -0.146 0.000 1.225 400 S CA -0.736 57.398 58.200 -0.108 0.000 0.991 400 S CB 1.101 64.264 63.200 -0.062 0.000 0.987 400 S HN 0.096 nan 8.310 nan 0.000 0.552 401 R N 0.324 120.773 120.500 -0.086 0.000 2.280 401 R HA 0.003 4.343 4.340 -0.000 0.000 0.207 401 R C 1.229 177.479 176.300 -0.083 0.000 1.043 401 R CA 0.518 56.572 56.100 -0.077 0.000 1.006 401 R CB -0.361 29.918 30.300 -0.035 0.000 0.885 401 R HN 0.659 nan 8.270 nan 0.000 0.467 402 E N 0.567 120.720 120.200 -0.079 0.000 2.267 402 E HA -0.115 4.235 4.350 -0.000 0.000 0.197 402 E C 1.351 177.894 176.600 -0.095 0.000 0.998 402 E CA 1.368 57.768 56.400 -0.000 0.000 0.830 402 E CB -0.050 29.765 29.700 0.192 0.000 0.751 402 E HN 0.290 nan 8.360 nan 0.000 0.491 403 S N 0.179 115.639 115.700 -0.399 0.000 2.574 403 S HA 0.119 4.589 4.470 -0.000 0.000 0.242 403 S C 1.374 175.853 174.600 -0.202 0.000 0.982 403 S CA -0.562 57.371 58.200 -0.446 0.000 0.977 403 S CB 0.036 62.657 63.200 -0.966 0.000 0.814 403 S HN 0.248 nan 8.310 nan 0.000 0.464 404 R N 0.757 121.186 120.500 -0.118 0.000 2.261 404 R HA -0.001 4.339 4.340 -0.000 0.000 0.236 404 R C 1.352 177.627 176.300 -0.041 0.000 1.141 404 R CA 1.501 57.559 56.100 -0.069 0.000 1.001 404 R CB -0.648 29.628 30.300 -0.041 0.000 0.866 404 R HN 0.464 nan 8.270 nan 0.000 0.468 405 A N 1.112 123.916 122.820 -0.027 0.000 2.423 405 A HA 0.346 4.666 4.320 -0.000 0.000 0.246 405 A C 0.503 178.086 177.584 -0.001 0.000 1.278 405 A CA -0.434 51.599 52.037 -0.005 0.000 0.903 405 A CB 0.270 19.277 19.000 0.011 0.000 0.997 405 A HN 0.209 nan 8.150 nan 0.000 0.510 406 I N 0.168 120.725 120.570 -0.021 0.000 2.362 406 I HA 0.427 4.597 4.170 -0.000 0.000 0.289 406 I C -0.109 175.994 176.117 -0.023 0.000 0.994 406 I CA -0.187 61.107 61.300 -0.010 0.000 1.158 406 I CB 1.954 39.952 38.000 -0.003 0.000 1.315 406 I HN 0.045 nan 8.210 nan 0.000 0.451 407 T N 3.247 117.798 114.554 -0.005 0.000 2.889 407 T HA 0.549 4.899 4.350 -0.000 0.000 0.315 407 T C 0.382 175.086 174.700 0.007 0.000 1.291 407 T CA 0.357 62.455 62.100 -0.005 0.000 1.028 407 T CB 1.583 70.450 68.868 -0.002 0.000 1.235 407 T HN 0.953 nan 8.240 nan 0.000 0.491 408 G N 2.371 111.174 108.800 0.005 0.000 2.148 408 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.254 408 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.254 408 G C -0.092 174.812 174.900 0.006 0.000 0.981 408 G CA 0.219 45.325 45.100 0.010 0.000 0.670 408 G HN 0.711 nan 8.290 nan 0.000 0.528 409 Q N 0.350 120.151 119.800 0.002 0.000 2.222 409 Q HA 0.571 4.911 4.340 -0.000 0.000 0.252 409 Q C -0.098 175.895 176.000 -0.012 0.000 0.926 409 Q CA -0.125 55.683 55.803 0.008 0.000 0.899 409 Q CB 1.466 30.217 28.738 0.021 0.000 1.250 409 Q HN 0.183 nan 8.270 nan 0.000 0.441 410 T N 3.009 117.557 114.554 -0.010 0.000 2.738 410 T HA 0.419 4.769 4.350 -0.000 0.000 0.298 410 T C 0.156 174.820 174.700 -0.060 0.000 0.962 410 T CA -0.401 61.655 62.100 -0.073 0.000 0.972 410 T CB 0.198 69.019 68.868 -0.078 0.000 0.928 410 T HN 0.240 nan 8.240 nan 0.000 0.474 411 I N 4.007 124.516 120.570 -0.101 0.000 2.339 411 I HA 0.278 4.448 4.170 -0.000 0.000 0.290 411 I C -0.323 175.726 176.117 -0.113 0.000 0.994 411 I CA -1.016 60.270 61.300 -0.024 0.000 1.191 411 I CB 0.830 38.839 38.000 0.013 0.000 1.343 411 I HN 0.612 nan 8.210 nan 0.000 0.458 412 Y N 5.211 125.495 120.300 -0.027 0.000 2.365 412 Y HA 0.273 4.823 4.550 -0.000 0.000 0.340 412 Y C 0.496 176.371 175.900 -0.040 0.000 1.016 412 Y CA -0.153 57.919 58.100 -0.046 0.000 1.196 412 Y CB 1.132 39.545 38.460 -0.077 0.000 1.167 412 Y HN 0.229 nan 8.280 nan 0.000 0.509 413 V N 4.309 124.254 119.914 0.052 0.000 2.315 413 V HA 0.213 4.333 4.120 -0.000 0.000 0.265 413 V C -0.630 175.494 176.094 0.051 0.000 1.019 413 V CA -0.584 61.732 62.300 0.027 0.000 0.824 413 V CB 0.616 32.417 31.823 -0.036 0.000 1.072 413 V HN 0.886 nan 8.190 nan 0.000 0.448 414 D N 1.432 121.884 120.400 0.086 0.000 2.783 414 D HA 0.063 4.703 4.640 -0.000 0.000 0.306 414 D C 0.451 176.797 176.300 0.076 0.000 1.633 414 D CA -0.472 53.592 54.000 0.106 0.000 0.796 414 D CB -0.320 40.570 40.800 0.151 0.000 1.230 414 D HN 0.224 nan 8.370 nan 0.000 0.441 415 N N 0.795 119.527 118.700 0.053 0.000 2.713 415 N HA -0.176 4.564 4.740 -0.000 0.000 0.251 415 N C 1.271 176.791 175.510 0.017 0.000 1.117 415 N CA 1.815 54.884 53.050 0.031 0.000 0.770 415 N CB -1.423 37.082 38.487 0.031 0.000 1.137 415 N HN 0.837 nan 8.380 nan 0.000 0.566 416 G N -1.127 107.679 108.800 0.010 0.000 2.176 416 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.253 416 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.253 416 G C 0.873 175.750 174.900 -0.038 0.000 0.979 416 G CA 0.580 45.666 45.100 -0.024 0.000 0.641 416 G HN 0.436 nan 8.290 nan 0.000 0.530 417 L N 2.230 123.451 121.223 -0.004 0.000 2.081 417 L HA -0.085 4.255 4.340 -0.000 0.000 0.212 417 L C 2.528 179.366 176.870 -0.054 0.000 1.080 417 L CA 3.219 58.072 54.840 0.021 0.000 0.754 417 L CB -0.771 41.345 42.059 0.094 0.000 0.893 417 L HN 0.706 nan 8.230 nan 0.000 0.433 418 N N 0.100 118.670 118.700 -0.216 0.000 2.430 418 N HA -0.231 4.509 4.740 -0.000 0.000 0.186 418 N C 1.736 177.053 175.510 -0.320 0.000 1.032 418 N CA 1.729 54.480 53.050 -0.499 0.000 0.893 418 N CB -0.900 36.909 38.487 -1.130 0.000 0.957 418 N HN 0.705 nan 8.380 nan 0.000 0.442 419 I N -3.881 116.570 120.570 -0.200 0.000 3.428 419 I HA 0.169 4.339 4.170 -0.000 0.000 0.286 419 I C 0.097 176.194 176.117 -0.033 0.000 1.287 419 I CA -0.089 61.134 61.300 -0.128 0.000 1.396 419 I CB -0.099 37.839 38.000 -0.103 0.000 1.062 419 I HN -0.012 nan 8.210 nan 0.000 0.471 420 M N 0.573 120.179 119.600 0.009 0.000 2.235 420 M HA 0.215 4.695 4.480 -0.000 0.000 0.351 420 M C 0.293 176.698 176.300 0.174 0.000 1.178 420 M CA -0.064 55.280 55.300 0.073 0.000 1.143 420 M CB 1.280 33.918 32.600 0.064 0.000 1.530 420 M HN 0.218 nan 8.290 nan 0.000 0.461 421 F N 1.793 121.732 119.950 -0.018 0.000 2.482 421 F HA 0.333 4.860 4.527 0.000 0.000 0.278 421 F C 0.078 175.865 175.800 -0.022 0.000 0.969 421 F CA -0.084 57.909 58.000 -0.013 0.000 1.223 421 F CB 0.695 39.686 39.000 -0.016 0.000 1.140 421 F HN 0.285 nan 8.300 nan 0.000 0.672 422 L N 3.241 124.389 121.223 -0.125 0.000 2.264 422 L HA 0.345 4.685 4.340 -0.000 0.000 0.287 422 L C -2.262 174.477 176.870 -0.218 0.000 1.039 422 L CA -2.042 52.613 54.840 -0.309 0.000 0.829 422 L CB 0.677 42.554 42.059 -0.303 0.000 1.211 422 L HN 0.035 nan 8.230 nan 0.000 0.427 423 P HA -0.067 nan 4.420 nan 0.000 0.255 423 P C -0.647 176.460 177.300 -0.321 0.000 1.161 423 P CA 0.015 62.767 63.100 -0.580 0.000 0.768 423 P CB 0.016 31.266 31.700 -0.751 0.000 0.746 424 D N 0.000 120.302 120.400 -0.164 0.000 6.856 424 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 424 D CA 0.000 53.988 54.000 -0.020 0.000 0.868 424 D CB 0.000 40.815 40.800 0.025 0.000 0.688 424 D HN 0.000 nan 8.370 nan 0.000 0.683