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 1e8f_1_B DATA FIRST_RESID 6 DATA SEQUENCE EFRPLTLPPK LSLSDFNEFI QDIIRIVGSE NVEVISXXXX XXXXXXMKPT DATA SEQUENCE HTHDPTHVMD QDYFLASAIV APRNVADVQS IVGLANKFSF PLWPISIGRN DATA SEQUENCE SGYGGAAPRV SGSVVLDMGK NMNRVLEVNV EGAYCVVEPG VTYHDLHNYL DATA SEQUENCE EANNLRDKLW LDVPDLGGGS VLGNAVERGV GYTPYGDHWM MHSGMEVVLA DATA SEQUENCE NGELLRTGMG ALPDPKRPET MGLKPEDQPW SKIAHLFPYG FGPYIDGLFS DATA SEQUENCE QSNMGIVTKI GIWLMPNPGG YQSYLITLPK DGDLKQAVDI IRPLRLGMAL DATA SEQUENCE QNVPTIRHIL LDAAVLGDKR SYSSRTEPLS DEELDKIAKQ LNLGRWNFYG DATA SEQUENCE ALYGPEPIRR VLWETIKDAF SAIPGVKFYF PEDTPENSVL RVRDKTMQGI DATA SEQUENCE PTYDELKWID WLPNGAHLFF SPIAKVSGED AMMQYAVTKK RCQEAGLDFI DATA SEQUENCE GTFTVGMREM HHIVCIVFNK KDLIQKRKVQ WLMRTLIDDC AANGWGEYRT DATA SEQUENCE HLAFMDQIME TYNWNNSSFL RFNEVLKNAV DPNGIIAPGK SGVWPSQYSH DATA SEQUENCE VTWKL 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 6 E HA 0.000 nan 4.350 nan 0.000 0.291 6 E C 0.000 176.563 176.600 -0.061 0.000 1.382 6 E CA 0.000 56.324 56.400 -0.127 0.000 0.976 6 E CB 0.000 29.779 29.700 0.132 0.000 0.812 7 F N 0.796 120.839 119.950 0.154 0.000 1.978 7 F HA 0.185 4.712 4.527 -0.001 0.000 0.296 7 F C 1.770 177.659 175.800 0.148 0.000 1.251 7 F CA 1.345 59.435 58.000 0.150 0.000 1.166 7 F CB -0.010 39.041 39.000 0.085 0.000 0.965 7 F HN 0.404 nan 8.300 nan 0.000 0.498 8 R N 1.767 122.445 120.500 0.298 0.000 2.233 8 R HA 0.312 4.651 4.340 -0.001 0.000 0.334 8 R C -2.591 173.711 176.300 0.004 0.000 1.037 8 R CA -1.827 54.333 56.100 0.100 0.000 0.920 8 R CB 0.283 30.628 30.300 0.075 0.000 1.137 8 R HN 0.079 nan 8.270 nan 0.000 0.492 9 P HA 0.056 nan 4.420 nan 0.000 0.274 9 P C 0.638 177.862 177.300 -0.126 0.000 1.246 9 P CA -0.412 62.579 63.100 -0.183 0.000 0.795 9 P CB 1.048 32.445 31.700 -0.504 0.000 1.006 10 L N -0.412 120.768 121.223 -0.071 0.000 2.109 10 L HA -0.006 4.334 4.340 -0.001 0.000 0.207 10 L C 0.687 177.513 176.870 -0.074 0.000 1.086 10 L CA 1.567 56.373 54.840 -0.057 0.000 0.760 10 L CB -0.163 41.877 42.059 -0.031 0.000 0.910 10 L HN 0.429 nan 8.230 nan 0.000 0.437 11 T N 0.037 114.543 114.554 -0.080 0.000 2.921 11 T HA 0.472 4.822 4.350 -0.001 0.000 0.297 11 T C -0.553 174.082 174.700 -0.108 0.000 1.013 11 T CA -0.466 61.590 62.100 -0.074 0.000 0.990 11 T CB 2.215 71.064 68.868 -0.031 0.000 1.023 11 T HN -0.135 nan 8.240 nan 0.000 0.447 12 L N 4.662 125.811 121.223 -0.123 0.000 2.343 12 L HA 0.509 4.848 4.340 -0.001 0.000 0.275 12 L C -2.024 174.783 176.870 -0.105 0.000 1.056 12 L CA -2.421 52.330 54.840 -0.147 0.000 0.804 12 L CB 1.066 43.041 42.059 -0.140 0.000 1.203 12 L HN 0.346 nan 8.230 nan 0.000 0.440 13 P HA 0.151 nan 4.420 nan 0.000 0.271 13 P C -2.522 174.690 177.300 -0.147 0.000 1.218 13 P CA -1.365 61.575 63.100 -0.267 0.000 0.780 13 P CB -0.372 30.826 31.700 -0.836 0.000 0.901 14 P HA -0.130 nan 4.420 nan 0.000 0.263 14 P C 0.363 177.643 177.300 -0.033 0.000 1.162 14 P CA 0.947 64.082 63.100 0.058 0.000 0.758 14 P CB -0.116 31.672 31.700 0.148 0.000 0.773 15 K N -1.113 119.277 120.400 -0.017 0.000 3.495 15 K HA -0.243 4.076 4.320 -0.001 0.000 0.315 15 K C 0.280 176.875 176.600 -0.008 0.000 1.301 15 K CA 0.753 57.028 56.287 -0.020 0.000 0.985 15 K CB -1.571 30.911 32.500 -0.030 0.000 1.244 15 K HN 0.251 nan 8.250 nan 0.000 0.433 16 L N 1.581 122.793 121.223 -0.019 0.000 2.292 16 L HA 0.232 4.572 4.340 -0.001 0.000 0.284 16 L C 0.514 177.423 176.870 0.064 0.000 1.065 16 L CA 0.112 54.971 54.840 0.030 0.000 0.806 16 L CB 1.221 43.275 42.059 -0.008 0.000 1.175 16 L HN 0.205 nan 8.230 nan 0.000 0.431 17 S N 3.807 119.571 115.700 0.107 0.000 2.614 17 S HA 0.141 4.610 4.470 -0.001 0.000 0.265 17 S C 0.936 175.632 174.600 0.159 0.000 1.303 17 S CA -0.582 57.681 58.200 0.106 0.000 1.000 17 S CB 0.878 64.142 63.200 0.107 0.000 0.935 17 S HN 0.706 nan 8.310 nan 0.000 0.551 18 L N 1.571 122.871 121.223 0.128 0.000 2.083 18 L HA 0.004 4.343 4.340 -0.001 0.000 0.209 18 L C 2.539 179.547 176.870 0.231 0.000 1.083 18 L CA 1.988 56.926 54.840 0.164 0.000 0.752 18 L CB -1.434 40.683 42.059 0.097 0.000 0.899 18 L HN 0.904 nan 8.230 nan 0.000 0.433 19 S N -0.652 115.155 115.700 0.178 0.000 2.348 19 S HA -0.197 4.273 4.470 -0.001 0.000 0.221 19 S C 1.655 176.376 174.600 0.203 0.000 1.033 19 S CA 1.485 59.787 58.200 0.170 0.000 1.010 19 S CB -0.339 62.944 63.200 0.137 0.000 0.891 19 S HN 0.578 nan 8.310 nan 0.000 0.442 20 D N 0.355 120.900 120.400 0.242 0.000 2.092 20 D HA -0.116 4.523 4.640 -0.001 0.000 0.193 20 D C 1.601 178.024 176.300 0.206 0.000 0.994 20 D CA 1.042 55.231 54.000 0.315 0.000 0.828 20 D CB -0.598 40.424 40.800 0.369 0.000 0.963 20 D HN 0.433 nan 8.370 nan 0.000 0.450 21 F N 2.072 122.102 119.950 0.133 0.000 2.063 21 F HA -0.265 4.262 4.527 -0.001 0.000 0.298 21 F C 2.024 177.859 175.800 0.058 0.000 1.109 21 F CA 1.661 59.739 58.000 0.130 0.000 1.212 21 F CB -0.255 38.855 39.000 0.183 0.000 0.973 21 F HN -0.057 nan 8.300 nan 0.000 0.480 22 N N 0.141 118.954 118.700 0.188 0.000 2.223 22 N HA -0.211 4.529 4.740 -0.001 0.000 0.185 22 N C 1.899 177.337 175.510 -0.120 0.000 1.016 22 N CA 1.364 54.413 53.050 -0.002 0.000 0.863 22 N CB -0.475 38.044 38.487 0.053 0.000 0.983 22 N HN 0.558 nan 8.380 nan 0.000 0.429 23 E N 0.497 120.654 120.200 -0.072 0.000 2.051 23 E HA -0.187 4.163 4.350 -0.001 0.000 0.192 23 E C 1.795 178.211 176.600 -0.306 0.000 0.991 23 E CA 0.789 57.126 56.400 -0.104 0.000 0.799 23 E CB -0.102 29.634 29.700 0.060 0.000 0.748 23 E HN 0.230 nan 8.360 nan 0.000 0.449 24 F N 1.596 121.084 119.950 -0.770 0.000 2.026 24 F HA -0.282 4.245 4.527 -0.001 0.000 0.296 24 F C 2.100 177.519 175.800 -0.635 0.000 1.133 24 F CA 1.547 58.987 58.000 -0.933 0.000 1.188 24 F CB -0.314 38.041 39.000 -1.075 0.000 0.968 24 F HN 0.010 nan 8.300 nan 0.000 0.476 25 I N 0.573 120.816 120.570 -0.545 0.000 2.151 25 I HA -0.314 3.855 4.170 -0.001 0.000 0.243 25 I C 2.413 178.288 176.117 -0.403 0.000 1.080 25 I CA 1.357 62.338 61.300 -0.531 0.000 1.339 25 I CB -1.665 36.040 38.000 -0.492 0.000 1.039 25 I HN 0.328 nan 8.210 nan 0.000 0.409 26 Q N 0.722 120.330 119.800 -0.319 0.000 2.112 26 Q HA -0.211 4.129 4.340 -0.001 0.000 0.206 26 Q C 1.924 177.780 176.000 -0.240 0.000 0.987 26 Q CA 1.585 57.245 55.803 -0.238 0.000 0.858 26 Q CB -0.555 28.077 28.738 -0.178 0.000 0.905 26 Q HN 0.523 nan 8.270 nan 0.000 0.420 27 D N -0.013 120.215 120.400 -0.287 0.000 2.104 27 D HA -0.117 4.522 4.640 -0.001 0.000 0.194 27 D C 2.056 178.174 176.300 -0.304 0.000 0.994 27 D CA 0.859 54.700 54.000 -0.265 0.000 0.830 27 D CB -0.210 40.418 40.800 -0.286 0.000 0.959 27 D HN 0.267 nan 8.370 nan 0.000 0.452 28 I N 0.560 120.859 120.570 -0.450 0.000 2.315 28 I HA -0.179 3.990 4.170 -0.001 0.000 0.248 28 I C 2.349 178.308 176.117 -0.263 0.000 1.117 28 I CA 0.466 61.525 61.300 -0.403 0.000 1.404 28 I CB -0.020 37.647 38.000 -0.556 0.000 1.071 28 I HN -0.051 nan 8.210 nan 0.000 0.419 29 I N 0.552 120.974 120.570 -0.247 0.000 2.208 29 I HA -0.302 3.868 4.170 -0.001 0.000 0.245 29 I C 2.552 178.589 176.117 -0.133 0.000 1.097 29 I CA 1.479 62.679 61.300 -0.168 0.000 1.363 29 I CB -0.404 37.503 38.000 -0.155 0.000 1.051 29 I HN 0.169 nan 8.210 nan 0.000 0.413 30 R N 0.384 120.800 120.500 -0.140 0.000 2.193 30 R HA -0.078 4.261 4.340 -0.001 0.000 0.229 30 R C 2.120 178.361 176.300 -0.098 0.000 1.110 30 R CA 1.128 57.165 56.100 -0.105 0.000 0.988 30 R CB -0.237 30.005 30.300 -0.096 0.000 0.871 30 R HN 0.419 nan 8.270 nan 0.000 0.458 31 I N -0.048 120.450 120.570 -0.121 0.000 2.368 31 I HA -0.139 4.031 4.170 -0.001 0.000 0.238 31 I C 1.984 178.048 176.117 -0.089 0.000 1.076 31 I CA 0.808 62.047 61.300 -0.103 0.000 1.397 31 I CB 0.013 37.941 38.000 -0.121 0.000 1.141 31 I HN -0.011 nan 8.210 nan 0.000 0.430 32 V N -1.133 118.721 119.914 -0.100 0.000 3.596 32 V HA 0.531 4.651 4.120 -0.001 0.000 0.289 32 V C 0.678 176.734 176.094 -0.064 0.000 1.336 32 V CA 0.030 62.284 62.300 -0.077 0.000 1.137 32 V CB -0.963 30.810 31.823 -0.083 0.000 0.966 32 V HN 0.528 nan 8.190 nan 0.000 0.428 33 G N 1.118 109.877 108.800 -0.068 0.000 2.767 33 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.686 33 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.686 33 G C 0.514 175.383 174.900 -0.052 0.000 1.213 33 G CA 0.379 45.448 45.100 -0.053 0.000 0.803 33 G HN 1.486 nan 8.290 nan 0.000 0.603 34 S N 0.092 115.765 115.700 -0.045 0.000 2.402 34 S HA -0.144 4.325 4.470 -0.001 0.000 0.233 34 S C 1.652 176.240 174.600 -0.019 0.000 1.030 34 S CA 2.010 60.188 58.200 -0.037 0.000 1.003 34 S CB -0.100 63.084 63.200 -0.026 0.000 0.813 34 S HN 0.718 nan 8.310 nan 0.000 0.477 35 E N 1.578 121.770 120.200 -0.012 0.000 2.472 35 E HA 0.065 4.415 4.350 -0.001 0.000 0.200 35 E C 0.666 177.268 176.600 0.004 0.000 1.046 35 E CA 0.374 56.774 56.400 0.000 0.000 0.871 35 E CB -0.333 29.368 29.700 0.001 0.000 0.806 35 E HN 0.634 nan 8.360 nan 0.000 0.533 36 N N -0.154 118.540 118.700 -0.009 0.000 2.170 36 N HA 0.060 4.800 4.740 -0.001 0.000 0.222 36 N C -0.704 174.798 175.510 -0.013 0.000 1.218 36 N CA 0.101 53.147 53.050 -0.007 0.000 0.889 36 N CB 1.936 40.411 38.487 -0.020 0.000 1.083 36 N HN -0.137 nan 8.380 nan 0.000 0.520 37 V N 1.287 121.190 119.914 -0.019 0.000 2.340 37 V HA 0.248 4.368 4.120 -0.001 0.000 0.277 37 V C 0.020 176.121 176.094 0.013 0.000 1.017 37 V CA -0.778 61.506 62.300 -0.027 0.000 0.820 37 V CB 2.037 33.810 31.823 -0.083 0.000 1.028 37 V HN 0.020 nan 8.190 nan 0.000 0.436 38 E N 3.031 123.264 120.200 0.054 0.000 2.227 38 E HA 0.547 4.897 4.350 -0.001 0.000 0.282 38 E C -1.072 175.599 176.600 0.118 0.000 1.015 38 E CA -0.405 56.045 56.400 0.083 0.000 0.823 38 E CB 1.855 31.618 29.700 0.104 0.000 1.081 38 E HN 0.469 nan 8.360 nan 0.000 0.396 39 V N 5.490 125.484 119.914 0.134 0.000 2.472 39 V HA 0.214 4.333 4.120 -0.001 0.000 0.290 39 V C 0.070 176.263 176.094 0.164 0.000 1.037 39 V CA -0.815 61.604 62.300 0.199 0.000 0.908 39 V CB 1.435 33.404 31.823 0.243 0.000 0.985 39 V HN 0.617 nan 8.190 nan 0.000 0.454 40 I N 4.017 124.685 120.570 0.163 0.000 2.294 40 I HA 0.293 4.462 4.170 -0.001 0.000 0.295 40 I C 0.738 176.902 176.117 0.078 0.000 1.098 40 I CA 0.688 62.056 61.300 0.114 0.000 1.277 40 I CB 0.130 38.200 38.000 0.116 0.000 1.434 40 I HN 0.578 nan 8.210 nan 0.000 0.498 53 K N 3.044 123.435 120.400 -0.015 0.000 2.231 53 K HA 0.585 4.905 4.320 -0.001 0.000 0.275 53 K C -2.457 174.101 176.600 -0.071 0.000 1.105 53 K CA -1.145 55.118 56.287 -0.040 0.000 0.931 53 K CB 0.041 32.528 32.500 -0.022 0.000 1.296 53 K HN 0.260 nan 8.250 nan 0.000 0.446 54 P HA 0.065 nan 4.420 nan 0.000 0.275 54 P C 0.010 177.152 177.300 -0.264 0.000 1.227 54 P CA -0.322 62.700 63.100 -0.130 0.000 0.781 54 P CB 0.756 32.417 31.700 -0.065 0.000 0.906 55 T N 0.483 114.939 114.554 -0.163 0.000 2.868 55 T HA 0.156 4.506 4.350 -0.001 0.000 0.292 55 T C 0.391 175.020 174.700 -0.118 0.000 1.028 55 T CA 0.001 62.016 62.100 -0.141 0.000 1.059 55 T CB 0.037 68.861 68.868 -0.073 0.000 0.991 55 T HN 0.458 nan 8.240 nan 0.000 0.531 56 H N 0.332 119.423 119.070 0.035 0.000 3.233 56 H HA 0.191 4.746 4.556 -0.001 0.000 0.263 56 H C 1.799 177.172 175.328 0.075 0.000 1.168 56 H CA 0.348 56.428 56.048 0.053 0.000 1.159 56 H CB 0.776 30.586 29.762 0.080 0.000 1.593 56 H HN 0.691 nan 8.280 nan 0.000 0.580 57 T N -1.424 113.252 114.554 0.202 0.000 3.014 57 T HA 0.007 4.357 4.350 -0.001 0.000 0.250 57 T C 0.593 175.441 174.700 0.247 0.000 1.060 57 T CA 0.064 62.301 62.100 0.230 0.000 1.040 57 T CB 0.322 69.349 68.868 0.265 0.000 0.971 57 T HN 0.469 nan 8.240 nan 0.000 0.497 58 H N -0.997 118.141 119.070 0.114 0.000 3.014 58 H HA 0.479 5.035 4.556 -0.001 0.000 0.337 58 H C -2.092 173.324 175.328 0.147 0.000 1.320 58 H CA -0.844 55.272 56.048 0.113 0.000 1.128 58 H CB 0.890 30.703 29.762 0.083 0.000 1.862 58 H HN 0.081 nan 8.280 nan 0.000 0.536 59 D N 2.357 122.883 120.400 0.209 0.000 2.343 59 D HA 0.128 4.768 4.640 -0.001 0.000 0.255 59 D C -1.492 175.002 176.300 0.323 0.000 1.187 59 D CA -2.134 51.991 54.000 0.208 0.000 0.875 59 D CB 1.370 42.407 40.800 0.396 0.000 1.136 59 D HN 0.286 nan 8.370 nan 0.000 0.469 60 P HA -0.003 nan 4.420 nan 0.000 0.230 60 P C 0.404 177.734 177.300 0.051 0.000 1.168 60 P CA 0.262 63.440 63.100 0.131 0.000 0.793 60 P CB 0.378 32.041 31.700 -0.061 0.000 0.851 61 T N 1.345 115.955 114.554 0.094 0.000 3.400 61 T HA 0.173 4.523 4.350 -0.001 0.000 0.364 61 T C -0.052 174.820 174.700 0.286 0.000 1.636 61 T CA -0.366 61.746 62.100 0.021 0.000 1.211 61 T CB -1.247 67.559 68.868 -0.103 0.000 1.180 61 T HN 0.174 nan 8.240 nan 0.000 0.730 62 H N 1.005 120.216 119.070 0.235 0.000 3.001 62 H HA 0.208 4.764 4.556 -0.001 0.000 0.334 62 H C 1.289 176.790 175.328 0.287 0.000 1.034 62 H CA -0.620 55.584 56.048 0.260 0.000 1.420 62 H CB 0.815 30.708 29.762 0.218 0.000 1.405 62 H HN 0.408 nan 8.280 nan 0.000 0.593 63 V N -0.816 119.273 119.914 0.293 0.000 3.154 63 V HA 0.104 4.223 4.120 -0.001 0.000 0.221 63 V C 0.420 176.543 176.094 0.048 0.000 1.504 63 V CA -0.339 62.018 62.300 0.096 0.000 1.243 63 V CB 0.340 32.158 31.823 -0.007 0.000 1.115 63 V HN 0.381 nan 8.190 nan 0.000 0.481 64 M N 1.477 121.122 119.600 0.076 0.000 2.363 64 M HA 0.571 5.051 4.480 -0.001 0.000 0.280 64 M C 0.056 176.412 176.300 0.092 0.000 1.182 64 M CA -0.087 55.214 55.300 0.002 0.000 0.974 64 M CB 0.605 33.091 32.600 -0.190 0.000 1.452 64 M HN 0.320 nan 8.290 nan 0.000 0.507 65 D N 0.110 120.612 120.400 0.170 0.000 2.478 65 D HA 0.192 4.832 4.640 -0.001 0.000 0.274 65 D C -0.510 175.844 176.300 0.091 0.000 1.234 65 D CA -0.167 53.912 54.000 0.133 0.000 1.069 65 D CB 0.743 41.608 40.800 0.108 0.000 1.113 65 D HN 0.504 nan 8.370 nan 0.000 0.571 66 Q N -0.327 119.462 119.800 -0.018 0.000 2.382 66 Q HA 0.242 4.582 4.340 -0.001 0.000 0.229 66 Q C -0.546 175.351 176.000 -0.172 0.000 1.006 66 Q CA -0.303 55.450 55.803 -0.084 0.000 0.916 66 Q CB 1.234 29.916 28.738 -0.094 0.000 1.235 66 Q HN 0.391 nan 8.270 nan 0.000 0.512 67 D N -1.853 118.446 120.400 -0.169 0.000 2.202 67 D HA -0.176 4.463 4.640 -0.001 0.000 0.165 67 D C -1.005 175.118 176.300 -0.294 0.000 1.170 67 D CA 1.272 55.130 54.000 -0.237 0.000 1.110 67 D CB -1.244 39.359 40.800 -0.329 0.000 1.160 67 D HN 0.561 nan 8.370 nan 0.000 0.496 68 Y N 0.601 120.719 120.300 -0.305 0.000 2.336 68 Y HA 0.366 4.916 4.550 -0.001 0.000 0.335 68 Y C 0.693 176.225 175.900 -0.614 0.000 1.046 68 Y CA -0.718 56.982 58.100 -0.667 0.000 1.198 68 Y CB 0.072 37.932 38.460 -1.000 0.000 1.182 68 Y HN -0.092 nan 8.280 nan 0.000 0.502 69 F N 1.149 121.209 119.950 0.185 0.000 3.074 69 F HA -0.232 4.294 4.527 -0.001 0.000 0.287 69 F C -0.655 175.154 175.800 0.015 0.000 0.932 69 F CA -0.518 57.497 58.000 0.025 0.000 0.995 69 F CB -1.979 37.002 39.000 -0.032 0.000 0.966 69 F HN 0.267 nan 8.300 nan 0.000 0.721 70 L N 0.665 121.964 121.223 0.128 0.000 2.294 70 L HA 0.907 5.246 4.340 -0.001 0.000 0.283 70 L C 0.433 177.367 176.870 0.106 0.000 1.015 70 L CA -0.964 53.943 54.840 0.112 0.000 0.831 70 L CB 0.985 43.082 42.059 0.063 0.000 1.217 70 L HN 0.257 nan 8.230 nan 0.000 0.420 71 A N 3.296 126.190 122.820 0.124 0.000 2.429 71 A HA 0.419 4.739 4.320 -0.001 0.000 0.242 71 A C 1.149 178.835 177.584 0.171 0.000 1.088 71 A CA 0.463 52.594 52.037 0.156 0.000 0.784 71 A CB 0.098 19.203 19.000 0.176 0.000 1.038 71 A HN 1.075 nan 8.150 nan 0.000 0.501 72 S N -0.206 115.640 115.700 0.242 0.000 2.483 72 S HA 0.536 5.006 4.470 -0.001 0.000 0.221 72 S C 0.489 175.292 174.600 0.339 0.000 1.030 72 S CA 0.685 59.044 58.200 0.265 0.000 0.925 72 S CB -0.096 63.347 63.200 0.404 0.000 0.795 72 S HN 2.224 nan 8.310 nan 0.000 0.511 73 A N 0.309 123.329 122.820 0.333 0.000 2.582 73 A HA 0.659 4.978 4.320 -0.001 0.000 0.297 73 A C -1.677 176.028 177.584 0.201 0.000 1.059 73 A CA -0.853 51.344 52.037 0.266 0.000 0.705 73 A CB 0.603 19.769 19.000 0.278 0.000 1.279 73 A HN 0.264 nan 8.150 nan 0.000 0.404 74 I N 1.162 121.826 120.570 0.156 0.000 2.359 74 I HA 0.595 4.765 4.170 -0.001 0.000 0.294 74 I C -0.276 175.887 176.117 0.077 0.000 0.987 74 I CA -0.658 60.720 61.300 0.130 0.000 1.225 74 I CB 1.837 39.929 38.000 0.153 0.000 1.366 74 I HN 0.320 nan 8.210 nan 0.000 0.466 75 V N 5.093 125.034 119.914 0.045 0.000 2.588 75 V HA 0.749 4.869 4.120 -0.001 0.000 0.304 75 V C -0.207 175.880 176.094 -0.012 0.000 1.042 75 V CA -0.642 61.656 62.300 -0.004 0.000 0.877 75 V CB 1.889 33.686 31.823 -0.044 0.000 0.996 75 V HN 0.822 nan 8.190 nan 0.000 0.425 76 A N 7.587 130.397 122.820 -0.017 0.000 2.394 76 A HA 0.775 5.094 4.320 -0.001 0.000 0.333 76 A C -2.584 174.982 177.584 -0.030 0.000 1.397 76 A CA -1.645 50.382 52.037 -0.017 0.000 0.884 76 A CB 0.388 19.390 19.000 0.003 0.000 1.147 76 A HN 0.561 nan 8.150 nan 0.000 0.505 77 P HA 0.054 nan 4.420 nan 0.000 0.267 77 P C 0.458 177.739 177.300 -0.032 0.000 1.200 77 P CA 0.124 63.198 63.100 -0.043 0.000 0.772 77 P CB 0.711 32.385 31.700 -0.043 0.000 0.855 78 R N 1.785 122.265 120.500 -0.033 0.000 2.161 78 R HA 0.059 4.398 4.340 -0.001 0.000 0.213 78 R C 1.159 177.446 176.300 -0.022 0.000 1.055 78 R CA 0.866 56.951 56.100 -0.024 0.000 0.996 78 R CB -0.116 30.169 30.300 -0.026 0.000 0.901 78 R HN 0.710 nan 8.270 nan 0.000 0.456 79 N N -2.774 115.910 118.700 -0.027 0.000 3.387 79 N HA 0.018 4.758 4.740 -0.001 0.000 0.294 79 N C 0.410 175.901 175.510 -0.031 0.000 1.519 79 N CA -0.621 52.414 53.050 -0.025 0.000 0.875 79 N CB 1.021 39.495 38.487 -0.022 0.000 1.657 79 N HN -0.334 nan 8.380 nan 0.000 0.527 80 V N 0.307 120.203 119.914 -0.030 0.000 2.343 80 V HA -0.191 3.929 4.120 -0.001 0.000 0.247 80 V C 2.757 178.827 176.094 -0.040 0.000 1.051 80 V CA 2.548 64.826 62.300 -0.037 0.000 1.036 80 V CB -1.405 30.394 31.823 -0.041 0.000 0.654 80 V HN 0.807 nan 8.190 nan 0.000 0.451 81 A N 0.459 123.257 122.820 -0.038 0.000 1.869 81 A HA -0.337 3.982 4.320 -0.001 0.000 0.218 81 A C 1.989 179.547 177.584 -0.042 0.000 1.203 81 A CA 2.433 54.447 52.037 -0.038 0.000 0.638 81 A CB -0.928 18.051 19.000 -0.036 0.000 0.831 81 A HN 0.525 nan 8.150 nan 0.000 0.450 82 D N -0.386 119.987 120.400 -0.045 0.000 2.126 82 D HA -0.153 4.487 4.640 -0.001 0.000 0.190 82 D C 1.992 178.260 176.300 -0.054 0.000 1.001 82 D CA 1.694 55.661 54.000 -0.055 0.000 0.841 82 D CB -0.706 40.062 40.800 -0.055 0.000 0.949 82 D HN 0.215 nan 8.370 nan 0.000 0.446 83 V N 0.807 120.693 119.914 -0.046 0.000 2.392 83 V HA -0.281 3.839 4.120 -0.001 0.000 0.249 83 V C 2.409 178.482 176.094 -0.034 0.000 1.059 83 V CA 1.735 64.010 62.300 -0.042 0.000 1.051 83 V CB -0.578 31.220 31.823 -0.042 0.000 0.658 83 V HN 0.285 nan 8.190 nan 0.000 0.455 84 Q N -0.179 119.600 119.800 -0.034 0.000 2.046 84 Q HA -0.138 4.201 4.340 -0.001 0.000 0.200 84 Q C 2.525 178.513 176.000 -0.021 0.000 0.975 84 Q CA 1.799 57.587 55.803 -0.025 0.000 0.836 84 Q CB -0.346 28.375 28.738 -0.028 0.000 0.896 84 Q HN 0.617 nan 8.270 nan 0.000 0.428 85 S N 1.447 117.127 115.700 -0.034 0.000 2.359 85 S HA -0.179 4.291 4.470 -0.001 0.000 0.223 85 S C 2.043 176.615 174.600 -0.046 0.000 1.039 85 S CA 1.297 59.472 58.200 -0.041 0.000 1.042 85 S CB -0.396 62.768 63.200 -0.061 0.000 0.915 85 S HN 0.294 nan 8.310 nan 0.000 0.439 86 I N 1.073 121.604 120.570 -0.064 0.000 2.264 86 I HA -0.152 4.017 4.170 -0.001 0.000 0.248 86 I C 2.234 178.362 176.117 0.018 0.000 1.111 86 I CA 0.923 62.181 61.300 -0.069 0.000 1.382 86 I CB -0.602 37.348 38.000 -0.082 0.000 1.060 86 I HN 0.155 nan 8.210 nan 0.000 0.418 87 V N 1.260 121.191 119.914 0.028 0.000 2.343 87 V HA -0.220 3.899 4.120 -0.001 0.000 0.247 87 V C 2.600 178.746 176.094 0.087 0.000 1.051 87 V CA 2.210 64.547 62.300 0.062 0.000 1.036 87 V CB -1.259 30.582 31.823 0.031 0.000 0.654 87 V HN 0.572 nan 8.190 nan 0.000 0.451 88 G N -0.142 108.694 108.800 0.060 0.000 2.545 88 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.217 88 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.217 88 G C 1.564 176.547 174.900 0.138 0.000 1.218 88 G CA 1.278 46.421 45.100 0.072 0.000 0.787 88 G HN 0.457 nan 8.290 nan 0.000 0.571 89 L N 0.919 122.229 121.223 0.145 0.000 2.051 89 L HA -0.201 4.138 4.340 -0.001 0.000 0.214 89 L C 3.420 180.589 176.870 0.498 0.000 1.076 89 L CA 1.361 56.375 54.840 0.291 0.000 0.758 89 L CB -0.400 41.677 42.059 0.030 0.000 0.890 89 L HN 0.336 nan 8.230 nan 0.000 0.433 90 A N -0.317 122.749 122.820 0.411 0.000 1.930 90 A HA -0.192 4.127 4.320 -0.001 0.000 0.217 90 A C 2.103 179.868 177.584 0.301 0.000 1.175 90 A CA 1.740 54.032 52.037 0.426 0.000 0.627 90 A CB -0.514 18.677 19.000 0.318 0.000 0.815 90 A HN 0.463 nan 8.150 nan 0.000 0.443 91 N N -0.177 118.649 118.700 0.209 0.000 2.142 91 N HA -0.157 4.582 4.740 -0.001 0.000 0.186 91 N C 1.751 177.332 175.510 0.119 0.000 1.023 91 N CA 1.599 54.732 53.050 0.138 0.000 0.852 91 N CB -0.269 38.273 38.487 0.090 0.000 0.998 91 N HN 0.668 nan 8.380 nan 0.000 0.424 92 K N 0.279 120.763 120.400 0.139 0.000 2.009 92 K HA -0.084 4.235 4.320 -0.001 0.000 0.210 92 K C 1.232 177.759 176.600 -0.123 0.000 1.049 92 K CA 1.449 57.736 56.287 0.000 0.000 0.929 92 K CB -0.148 32.358 32.500 0.009 0.000 0.714 92 K HN 0.025 nan 8.250 nan 0.000 0.440 93 F N 0.656 120.702 119.950 0.160 0.000 2.765 93 F HA 0.244 4.770 4.527 -0.001 0.000 0.302 93 F C 0.415 176.281 175.800 0.110 0.000 1.111 93 F CA 0.037 58.126 58.000 0.149 0.000 1.359 93 F CB 0.431 39.559 39.000 0.212 0.000 1.097 93 F HN -0.138 nan 8.300 nan 0.000 0.577 94 S N 0.697 116.540 115.700 0.239 0.000 3.608 94 S HA -0.255 4.215 4.470 -0.001 0.000 0.382 94 S C -0.407 174.274 174.600 0.135 0.000 0.945 94 S CA 0.029 58.321 58.200 0.153 0.000 1.256 94 S CB -1.719 61.524 63.200 0.072 0.000 0.913 94 S HN 0.299 nan 8.310 nan 0.000 0.518 95 F N 3.085 123.059 119.950 0.039 0.000 2.427 95 F HA 0.510 5.036 4.527 -0.001 0.000 0.348 95 F C -2.305 173.522 175.800 0.046 0.000 1.125 95 F CA -2.023 55.925 58.000 -0.087 0.000 0.989 95 F CB 1.518 40.169 39.000 -0.582 0.000 1.165 95 F HN -0.008 nan 8.300 nan 0.000 0.442 96 P HA 0.278 nan 4.420 nan 0.000 0.279 96 P C -1.022 176.483 177.300 0.342 0.000 1.239 96 P CA -0.057 63.179 63.100 0.226 0.000 0.789 96 P CB 1.206 32.996 31.700 0.149 0.000 0.933 97 L N 2.086 123.471 121.223 0.270 0.000 2.334 97 L HA 0.568 4.908 4.340 -0.001 0.000 0.272 97 L C -0.036 176.997 176.870 0.272 0.000 1.020 97 L CA -0.513 54.484 54.840 0.262 0.000 0.812 97 L CB 1.900 44.058 42.059 0.166 0.000 1.264 97 L HN 0.449 nan 8.230 nan 0.000 0.439 98 W N 4.670 126.000 121.300 0.050 0.000 2.481 98 W HA 0.328 4.987 4.660 -0.000 0.000 0.285 98 W C -2.693 173.814 176.519 -0.019 0.000 1.017 98 W CA -1.765 55.580 57.345 -0.001 0.000 1.499 98 W CB 1.794 31.255 29.460 0.003 0.000 1.381 98 W HN 0.185 nan 8.180 nan 0.000 0.390 99 P HA 0.165 nan 4.420 nan 0.000 0.276 99 P C -0.243 176.869 177.300 -0.314 0.000 1.253 99 P CA 0.482 63.433 63.100 -0.249 0.000 0.766 99 P CB 1.040 32.595 31.700 -0.241 0.000 0.845 100 I N -0.561 119.919 120.570 -0.151 0.000 2.846 100 I HA 0.546 4.715 4.170 -0.001 0.000 0.307 100 I C 0.370 176.427 176.117 -0.100 0.000 1.053 100 I CA -0.818 60.417 61.300 -0.108 0.000 1.050 100 I CB 2.155 40.138 38.000 -0.028 0.000 1.239 100 I HN -0.007 nan 8.210 nan 0.000 0.439 101 S N 2.672 118.333 115.700 -0.065 0.000 2.431 101 S HA 0.326 4.795 4.470 -0.001 0.000 0.210 101 S C 1.265 175.858 174.600 -0.013 0.000 1.013 101 S CA 0.414 58.587 58.200 -0.045 0.000 0.920 101 S CB 0.179 63.356 63.200 -0.038 0.000 0.882 101 S HN 0.676 nan 8.310 nan 0.000 0.567 102 I N -0.091 120.500 120.570 0.034 0.000 3.812 102 I HA 0.265 4.435 4.170 -0.001 0.000 0.292 102 I C 1.518 177.746 176.117 0.186 0.000 1.206 102 I CA 1.050 62.413 61.300 0.105 0.000 1.370 102 I CB -1.142 36.919 38.000 0.101 0.000 1.328 102 I HN 0.521 nan 8.210 nan 0.000 0.453 103 G N 2.224 111.117 108.800 0.155 0.000 2.225 103 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.264 103 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.264 103 G C 0.962 175.971 174.900 0.181 0.000 1.060 103 G CA 0.544 45.760 45.100 0.194 0.000 0.833 103 G HN 0.334 nan 8.290 nan 0.000 0.498 104 R N -0.586 120.010 120.500 0.160 0.000 2.312 104 R HA 0.099 4.439 4.340 -0.001 0.000 0.205 104 R C 1.192 177.577 176.300 0.142 0.000 0.904 104 R CA 0.054 56.234 56.100 0.134 0.000 1.052 104 R CB 0.103 30.484 30.300 0.136 0.000 1.014 104 R HN 0.233 nan 8.270 nan 0.000 0.503 105 N N 1.459 120.268 118.700 0.181 0.000 3.178 105 N HA -0.046 4.694 4.740 -0.001 0.000 0.300 105 N C -0.927 174.672 175.510 0.147 0.000 1.242 105 N CA 0.162 53.350 53.050 0.231 0.000 1.192 105 N CB 0.221 38.919 38.487 0.351 0.000 1.463 105 N HN 0.001 nan 8.380 nan 0.000 0.539 106 S N 0.403 116.122 115.700 0.031 0.000 2.552 106 S HA 0.342 4.811 4.470 -0.001 0.000 0.289 106 S C 1.361 175.775 174.600 -0.311 0.000 1.304 106 S CA 1.025 59.152 58.200 -0.121 0.000 1.063 106 S CB 0.330 63.421 63.200 -0.183 0.000 0.848 106 S HN 0.730 nan 8.310 nan 0.000 0.499 107 G N 3.370 111.993 108.800 -0.296 0.000 2.541 107 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.201 107 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.201 107 G C 0.245 175.026 174.900 -0.199 0.000 1.026 107 G CA 0.227 44.982 45.100 -0.575 0.000 0.687 107 G HN 0.712 nan 8.290 nan 0.000 0.492 108 Y N 0.960 121.369 120.300 0.181 0.000 2.641 108 Y HA 0.488 5.038 4.550 -0.001 0.000 0.248 108 Y C 1.897 177.739 175.900 -0.096 0.000 1.170 108 Y CA -0.127 58.064 58.100 0.152 0.000 1.201 108 Y CB 0.953 39.515 38.460 0.170 0.000 1.232 108 Y HN 1.182 nan 8.280 nan 0.000 0.537 109 G N -0.683 108.118 108.800 0.002 0.000 2.176 109 G HA2 -0.083 3.877 3.960 -0.001 0.000 0.232 109 G HA3 -0.083 3.877 3.960 -0.001 0.000 0.232 109 G C 1.115 175.969 174.900 -0.075 0.000 0.986 109 G CA 0.259 45.209 45.100 -0.249 0.000 0.643 109 G HN 0.995 nan 8.290 nan 0.000 0.522 110 G N 0.185 109.005 108.800 0.034 0.000 2.611 110 G HA2 0.084 4.044 3.960 -0.001 0.000 0.301 110 G HA3 0.084 4.044 3.960 -0.001 0.000 0.301 110 G C 1.412 176.381 174.900 0.114 0.000 1.233 110 G CA 2.513 47.660 45.100 0.078 0.000 0.993 110 G HN 1.974 nan 8.290 nan 0.000 0.553 111 A N 0.443 123.340 122.820 0.129 0.000 2.218 111 A HA 0.719 5.039 4.320 -0.001 0.000 0.209 111 A C 1.762 179.397 177.584 0.085 0.000 1.168 111 A CA 1.526 53.680 52.037 0.196 0.000 0.804 111 A CB -0.654 18.513 19.000 0.278 0.000 0.834 111 A HN 2.467 nan 8.150 nan 0.000 0.482 112 A N 1.659 124.449 122.820 -0.050 0.000 2.587 112 A HA 0.421 4.741 4.320 -0.001 0.000 0.233 112 A C -2.128 175.074 177.584 -0.636 0.000 1.049 112 A CA -0.438 51.494 52.037 -0.174 0.000 0.754 112 A CB -0.275 18.676 19.000 -0.081 0.000 0.977 112 A HN 0.343 nan 8.150 nan 0.000 0.509 113 P HA 0.275 nan 4.420 nan 0.000 0.279 113 P C 0.243 176.953 177.300 -0.984 0.000 1.252 113 P CA -0.465 61.802 63.100 -1.389 0.000 0.811 113 P CB 1.201 32.632 31.700 -0.448 0.000 1.035 114 R N 2.309 122.100 120.500 -1.183 0.000 2.093 114 R HA 0.023 4.362 4.340 -0.001 0.000 0.224 114 R C 0.351 176.721 176.300 0.118 0.000 1.101 114 R CA 1.211 57.022 56.100 -0.483 0.000 0.979 114 R CB -0.972 29.055 30.300 -0.454 0.000 0.877 114 R HN 0.345 nan 8.270 nan 0.000 0.441 115 V N 1.224 121.139 119.914 0.003 0.000 2.350 115 V HA 0.485 4.604 4.120 -0.001 0.000 0.285 115 V C -0.778 175.411 176.094 0.158 0.000 1.014 115 V CA -0.808 61.595 62.300 0.172 0.000 0.831 115 V CB 1.373 33.088 31.823 -0.179 0.000 1.000 115 V HN 0.363 nan 8.190 nan 0.000 0.433 116 S N 4.653 120.497 115.700 0.240 0.000 2.550 116 S HA 0.427 4.896 4.470 -0.001 0.000 0.285 116 S C 1.473 176.155 174.600 0.137 0.000 1.326 116 S CA 0.692 58.983 58.200 0.152 0.000 1.037 116 S CB 0.746 64.009 63.200 0.105 0.000 0.838 116 S HN 2.344 nan 8.310 nan 0.000 0.519 117 G N 1.240 110.102 108.800 0.104 0.000 2.232 117 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.226 117 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.226 117 G C 0.301 175.285 174.900 0.140 0.000 0.996 117 G CA 0.080 45.222 45.100 0.070 0.000 0.626 117 G HN 0.760 nan 8.290 nan 0.000 0.509 118 S N -0.571 115.231 115.700 0.170 0.000 2.580 118 S HA 0.446 4.916 4.470 -0.001 0.000 0.266 118 S C 0.513 175.369 174.600 0.427 0.000 1.354 118 S CA 0.208 58.570 58.200 0.270 0.000 1.008 118 S CB 1.765 65.088 63.200 0.205 0.000 0.898 118 S HN 0.779 nan 8.310 nan 0.000 0.555 119 V N 2.814 123.018 119.914 0.483 0.000 2.328 119 V HA 0.216 4.336 4.120 -0.001 0.000 0.278 119 V C -0.123 176.148 176.094 0.295 0.000 1.021 119 V CA -0.606 61.923 62.300 0.381 0.000 0.838 119 V CB 1.240 33.253 31.823 0.317 0.000 0.999 119 V HN 0.634 nan 8.190 nan 0.000 0.447 120 V N 6.765 126.831 119.914 0.254 0.000 2.479 120 V HA 0.109 4.229 4.120 -0.001 0.000 0.281 120 V C 0.150 176.325 176.094 0.134 0.000 1.031 120 V CA -0.015 62.427 62.300 0.237 0.000 1.038 120 V CB 1.163 33.108 31.823 0.203 0.000 0.981 120 V HN 0.610 nan 8.190 nan 0.000 0.478 121 L N 5.672 126.953 121.223 0.096 0.000 2.287 121 L HA 0.402 4.741 4.340 -0.001 0.000 0.280 121 L C 0.148 176.990 176.870 -0.046 0.000 1.055 121 L CA -0.021 54.829 54.840 0.017 0.000 0.863 121 L CB 0.892 42.953 42.059 0.004 0.000 1.245 121 L HN 0.628 nan 8.230 nan 0.000 0.432 122 D N 4.681 125.038 120.400 -0.072 0.000 2.402 122 D HA 0.052 4.692 4.640 -0.001 0.000 0.235 122 D C 0.885 177.137 176.300 -0.081 0.000 1.226 122 D CA -0.001 53.912 54.000 -0.146 0.000 0.918 122 D CB 0.740 41.446 40.800 -0.158 0.000 1.043 122 D HN 0.481 nan 8.370 nan 0.000 0.506 123 M N 2.200 121.752 119.600 -0.079 0.000 2.506 123 M HA 0.094 4.574 4.480 -0.001 0.000 0.260 123 M C 1.853 178.130 176.300 -0.039 0.000 1.104 123 M CA 0.276 55.543 55.300 -0.055 0.000 1.112 123 M CB 0.045 32.607 32.600 -0.063 0.000 1.401 123 M HN 0.407 nan 8.290 nan 0.000 0.473 124 G N 1.028 109.807 108.800 -0.036 0.000 2.396 124 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.214 124 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.214 124 G C 1.623 176.531 174.900 0.013 0.000 1.166 124 G CA 0.575 45.671 45.100 -0.007 0.000 0.793 124 G HN 0.426 nan 8.290 nan 0.000 0.533 125 K N 0.386 120.801 120.400 0.025 0.000 2.044 125 K HA -0.158 4.161 4.320 -0.001 0.000 0.210 125 K C 1.834 178.448 176.600 0.023 0.000 1.049 125 K CA 1.775 58.087 56.287 0.042 0.000 0.927 125 K CB -0.111 32.425 32.500 0.060 0.000 0.713 125 K HN 0.238 nan 8.250 nan 0.000 0.443 126 N N -0.556 118.149 118.700 0.008 0.000 2.348 126 N HA 0.077 4.817 4.740 -0.001 0.000 0.183 126 N C 0.085 175.594 175.510 -0.001 0.000 1.094 126 N CA 0.314 53.366 53.050 0.004 0.000 0.885 126 N CB 0.519 39.004 38.487 -0.002 0.000 1.065 126 N HN 0.195 nan 8.380 nan 0.000 0.472 127 M N 1.203 120.798 119.600 -0.008 0.000 3.347 127 M HA 0.207 4.687 4.480 -0.001 0.000 0.260 127 M C 0.492 176.784 176.300 -0.014 0.000 1.362 127 M CA 0.033 55.326 55.300 -0.012 0.000 1.497 127 M CB -0.164 32.424 32.600 -0.019 0.000 1.080 127 M HN 0.041 nan 8.290 nan 0.000 0.592 128 N N 0.481 119.176 118.700 -0.008 0.000 2.356 128 N HA 0.077 4.817 4.740 -0.001 0.000 0.178 128 N C -0.042 175.455 175.510 -0.022 0.000 1.075 128 N CA -0.076 52.968 53.050 -0.009 0.000 0.889 128 N CB 0.683 39.174 38.487 0.006 0.000 0.999 128 N HN 0.469 nan 8.380 nan 0.000 0.464 129 R N 1.084 121.570 120.500 -0.024 0.000 2.491 129 R HA 0.165 4.505 4.340 -0.001 0.000 0.283 129 R C -0.345 175.897 176.300 -0.097 0.000 1.072 129 R CA -0.160 55.916 56.100 -0.040 0.000 1.048 129 R CB 1.234 31.523 30.300 -0.017 0.000 0.983 129 R HN -0.132 nan 8.270 nan 0.000 0.450 130 V N 5.982 125.795 119.914 -0.169 0.000 2.352 130 V HA -0.004 4.116 4.120 -0.001 0.000 0.253 130 V C 1.396 177.318 176.094 -0.286 0.000 1.083 130 V CA 0.266 62.351 62.300 -0.360 0.000 0.993 130 V CB 0.191 31.532 31.823 -0.803 0.000 1.111 130 V HN 0.730 nan 8.190 nan 0.000 0.490 131 L N 3.016 124.131 121.223 -0.179 0.000 2.072 131 L HA 0.140 4.480 4.340 -0.001 0.000 0.205 131 L C 1.129 177.948 176.870 -0.084 0.000 1.079 131 L CA 1.324 56.114 54.840 -0.083 0.000 0.752 131 L CB 0.105 42.153 42.059 -0.019 0.000 0.906 131 L HN 0.650 nan 8.230 nan 0.000 0.436 132 E N -0.971 119.147 120.200 -0.137 0.000 2.375 132 E HA 0.388 4.737 4.350 -0.001 0.000 0.280 132 E C -1.747 174.770 176.600 -0.137 0.000 0.972 132 E CA -0.462 55.886 56.400 -0.087 0.000 0.782 132 E CB 2.659 32.347 29.700 -0.020 0.000 1.229 132 E HN -0.263 nan 8.360 nan 0.000 0.439 133 V N 4.255 124.106 119.914 -0.105 0.000 2.385 133 V HA 0.277 4.396 4.120 -0.001 0.000 0.277 133 V C -0.402 175.567 176.094 -0.209 0.000 1.012 133 V CA -0.861 61.369 62.300 -0.117 0.000 0.832 133 V CB 1.270 33.126 31.823 0.055 0.000 1.028 133 V HN 0.572 nan 8.190 nan 0.000 0.436 134 N N 3.539 121.939 118.700 -0.500 0.000 2.426 134 N HA 0.232 4.972 4.740 -0.001 0.000 0.257 134 N C 0.745 176.018 175.510 -0.395 0.000 1.002 134 N CA -0.185 52.526 53.050 -0.566 0.000 0.942 134 N CB 2.212 39.986 38.487 -1.188 0.000 1.112 134 N HN 0.348 nan 8.380 nan 0.000 0.499 135 V N 4.096 123.885 119.914 -0.209 0.000 2.488 135 V HA -0.195 3.925 4.120 -0.001 0.000 0.246 135 V C 2.222 178.240 176.094 -0.126 0.000 1.046 135 V CA 1.791 64.007 62.300 -0.141 0.000 1.053 135 V CB -0.524 31.247 31.823 -0.087 0.000 0.679 135 V HN 0.779 nan 8.190 nan 0.000 0.458 136 E N 1.597 121.730 120.200 -0.111 0.000 2.150 136 E HA -0.095 4.254 4.350 -0.001 0.000 0.193 136 E C 2.028 178.589 176.600 -0.064 0.000 0.985 136 E CA 1.595 57.952 56.400 -0.073 0.000 0.814 136 E CB -0.528 29.144 29.700 -0.046 0.000 0.752 136 E HN 0.472 nan 8.360 nan 0.000 0.466 137 G N 0.093 108.846 108.800 -0.077 0.000 2.986 137 G HA2 0.304 4.264 3.960 -0.001 0.000 0.213 137 G HA3 0.304 4.264 3.960 -0.001 0.000 0.213 137 G C 0.680 175.586 174.900 0.011 0.000 1.156 137 G CA -0.134 44.983 45.100 0.027 0.000 0.763 137 G HN 0.678 nan 8.290 nan 0.000 0.547 138 A N -1.149 121.600 122.820 -0.118 0.000 2.667 138 A HA -0.007 4.313 4.320 -0.001 0.000 0.298 138 A C 0.090 177.707 177.584 0.055 0.000 1.483 138 A CA 1.303 53.296 52.037 -0.072 0.000 0.738 138 A CB -2.601 16.369 19.000 -0.050 0.000 1.067 138 A HN 1.850 nan 8.150 nan 0.000 0.451 139 Y N -2.994 117.328 120.300 0.037 0.000 2.644 139 Y HA 0.755 5.305 4.550 -0.001 0.000 0.338 139 Y C -0.080 175.809 175.900 -0.017 0.000 1.119 139 Y CA -1.843 56.309 58.100 0.087 0.000 1.060 139 Y CB 0.254 38.828 38.460 0.190 0.000 1.294 139 Y HN 1.232 nan 8.280 nan 0.000 0.472 140 C N 0.318 119.738 119.300 0.199 0.000 2.802 140 C HA 0.947 5.407 4.460 -0.001 0.000 0.307 140 C C -1.183 173.772 174.990 -0.060 0.000 1.222 140 C CA -1.091 57.933 59.018 0.011 0.000 1.580 140 C CB 1.020 28.725 27.740 -0.058 0.000 2.119 140 C HN 0.833 nan 8.230 nan 0.000 0.479 141 V N 2.401 122.204 119.914 -0.185 0.000 2.444 141 V HA 0.729 4.848 4.120 -0.001 0.000 0.294 141 V C -0.307 175.670 176.094 -0.196 0.000 1.022 141 V CA -0.281 61.833 62.300 -0.310 0.000 0.850 141 V CB 1.340 32.886 31.823 -0.462 0.000 0.992 141 V HN 0.915 nan 8.190 nan 0.000 0.426 142 V N 4.293 124.110 119.914 -0.161 0.000 2.823 142 V HA 0.525 4.645 4.120 -0.001 0.000 0.312 142 V C -0.151 175.897 176.094 -0.077 0.000 1.072 142 V CA -0.490 61.734 62.300 -0.127 0.000 0.937 142 V CB 2.538 34.276 31.823 -0.142 0.000 1.013 142 V HN 0.967 nan 8.190 nan 0.000 0.430 143 E N 4.709 124.869 120.200 -0.065 0.000 2.254 143 E HA 0.334 4.684 4.350 -0.001 0.000 0.261 143 E C -1.850 174.717 176.600 -0.053 0.000 1.051 143 E CA -1.641 54.735 56.400 -0.039 0.000 0.902 143 E CB 1.353 31.038 29.700 -0.025 0.000 1.168 143 E HN 0.410 nan 8.360 nan 0.000 0.423 144 P HA -0.153 nan 4.420 nan 0.000 0.217 144 P C 1.101 178.372 177.300 -0.049 0.000 1.148 144 P CA 1.294 64.364 63.100 -0.050 0.000 0.828 144 P CB 0.078 31.749 31.700 -0.047 0.000 0.783 145 G N -0.708 108.071 108.800 -0.036 0.000 2.534 145 G HA2 -0.092 3.867 3.960 -0.001 0.000 0.217 145 G HA3 -0.092 3.867 3.960 -0.001 0.000 0.217 145 G C 0.419 175.300 174.900 -0.030 0.000 1.128 145 G CA 0.009 45.097 45.100 -0.021 0.000 0.784 145 G HN 0.182 nan 8.290 nan 0.000 0.542 146 V N 3.244 123.121 119.914 -0.063 0.000 2.382 146 V HA 0.134 4.254 4.120 -0.001 0.000 0.250 146 V C 1.363 177.376 176.094 -0.134 0.000 1.069 146 V CA 0.169 62.419 62.300 -0.083 0.000 1.130 146 V CB -1.054 30.697 31.823 -0.120 0.000 1.165 146 V HN 0.443 nan 8.190 nan 0.000 0.483 147 T N 1.708 116.221 114.554 -0.067 0.000 2.667 147 T HA 0.085 4.434 4.350 -0.001 0.000 0.305 147 T C 0.961 175.579 174.700 -0.137 0.000 1.022 147 T CA 0.264 62.311 62.100 -0.088 0.000 0.995 147 T CB 0.472 69.373 68.868 0.055 0.000 1.026 147 T HN 0.364 nan 8.240 nan 0.000 0.527 148 Y N 0.001 120.288 120.300 -0.021 0.000 2.184 148 Y HA 0.042 4.591 4.550 -0.001 0.000 0.290 148 Y C 2.855 178.777 175.900 0.036 0.000 1.129 148 Y CA 1.744 59.822 58.100 -0.035 0.000 1.144 148 Y CB -0.980 37.414 38.460 -0.110 0.000 0.995 148 Y HN 0.850 nan 8.280 nan 0.000 0.513 149 H N -0.483 118.723 119.070 0.226 0.000 2.319 149 H HA -0.197 4.358 4.556 -0.001 0.000 0.297 149 H C 1.684 177.121 175.328 0.183 0.000 1.097 149 H CA 1.215 57.374 56.048 0.184 0.000 1.285 149 H CB -0.014 29.833 29.762 0.142 0.000 1.368 149 H HN 0.282 nan 8.280 nan 0.000 0.495 150 D N 0.619 121.171 120.400 0.254 0.000 2.103 150 D HA -0.162 4.478 4.640 -0.001 0.000 0.190 150 D C 2.236 178.641 176.300 0.174 0.000 0.997 150 D CA 0.903 55.005 54.000 0.170 0.000 0.833 150 D CB -0.630 40.228 40.800 0.096 0.000 0.961 150 D HN 0.184 nan 8.370 nan 0.000 0.447 151 L N 0.505 121.805 121.223 0.128 0.000 2.079 151 L HA -0.183 4.157 4.340 -0.001 0.000 0.210 151 L C 2.266 179.265 176.870 0.215 0.000 1.081 151 L CA 1.758 56.673 54.840 0.124 0.000 0.752 151 L CB -0.540 41.543 42.059 0.040 0.000 0.896 151 L HN 0.203 nan 8.230 nan 0.000 0.433 152 H N -0.506 118.648 119.070 0.139 0.000 2.293 152 H HA -0.158 4.398 4.556 -0.001 0.000 0.300 152 H C 1.772 177.167 175.328 0.112 0.000 1.082 152 H CA 1.884 58.004 56.048 0.119 0.000 1.308 152 H CB 0.192 30.027 29.762 0.122 0.000 1.375 152 H HN 0.419 nan 8.280 nan 0.000 0.495 153 N N 0.341 119.116 118.700 0.125 0.000 2.149 153 N HA -0.186 4.553 4.740 -0.001 0.000 0.188 153 N C 1.878 177.394 175.510 0.009 0.000 1.019 153 N CA 1.095 54.161 53.050 0.026 0.000 0.857 153 N CB -0.887 37.654 38.487 0.090 0.000 0.997 153 N HN 0.474 nan 8.380 nan 0.000 0.426 154 Y N 1.976 122.266 120.300 -0.017 0.000 2.089 154 Y HA -0.121 4.428 4.550 -0.001 0.000 0.282 154 Y C 2.313 178.182 175.900 -0.053 0.000 1.139 154 Y CA 1.429 59.514 58.100 -0.024 0.000 1.123 154 Y CB -0.470 37.984 38.460 -0.009 0.000 0.980 154 Y HN -0.061 nan 8.280 nan 0.000 0.493 155 L N 0.195 121.491 121.223 0.121 0.000 2.051 155 L HA -0.284 4.055 4.340 -0.001 0.000 0.214 155 L C 2.364 179.156 176.870 -0.131 0.000 1.076 155 L CA 2.113 56.954 54.840 0.002 0.000 0.758 155 L CB -0.873 41.194 42.059 0.013 0.000 0.890 155 L HN 0.451 nan 8.230 nan 0.000 0.433 156 E N 0.176 120.255 120.200 -0.201 0.000 2.028 156 E HA -0.160 4.190 4.350 -0.001 0.000 0.191 156 E C 2.077 178.582 176.600 -0.158 0.000 0.988 156 E CA 1.163 57.448 56.400 -0.193 0.000 0.799 156 E CB -0.128 29.423 29.700 -0.248 0.000 0.755 156 E HN 0.460 nan 8.360 nan 0.000 0.447 157 A N 1.072 123.787 122.820 -0.175 0.000 2.259 157 A HA -0.109 4.211 4.320 -0.001 0.000 0.212 157 A C 0.934 178.391 177.584 -0.210 0.000 1.178 157 A CA 0.964 52.899 52.037 -0.171 0.000 0.734 157 A CB -0.385 18.520 19.000 -0.159 0.000 0.774 157 A HN 0.154 nan 8.150 nan 0.000 0.481 158 N N -0.139 118.419 118.700 -0.236 0.000 2.241 158 N HA 0.086 4.826 4.740 -0.001 0.000 0.238 158 N C -0.392 175.043 175.510 -0.126 0.000 1.244 158 N CA -0.259 52.662 53.050 -0.214 0.000 0.880 158 N CB 0.399 38.696 38.487 -0.317 0.000 1.179 158 N HN 0.224 nan 8.380 nan 0.000 0.513 159 N N 0.559 119.197 118.700 -0.104 0.000 2.710 159 N HA -0.192 4.548 4.740 -0.001 0.000 0.249 159 N C -0.027 175.458 175.510 -0.042 0.000 1.059 159 N CA 0.603 53.614 53.050 -0.064 0.000 0.720 159 N CB -1.174 37.284 38.487 -0.050 0.000 0.983 159 N HN 0.433 nan 8.380 nan 0.000 0.544 160 L N -0.610 120.588 121.223 -0.041 0.000 2.585 160 L HA 0.150 4.490 4.340 -0.001 0.000 0.226 160 L C 2.320 179.212 176.870 0.036 0.000 1.113 160 L CA -0.057 54.780 54.840 -0.004 0.000 0.876 160 L CB -0.022 42.041 42.059 0.008 0.000 1.072 160 L HN 0.157 nan 8.230 nan 0.000 0.468 161 R N 0.627 121.139 120.500 0.021 0.000 2.127 161 R HA -0.171 4.169 4.340 -0.001 0.000 0.238 161 R C 0.546 176.946 176.300 0.166 0.000 1.134 161 R CA 1.548 57.686 56.100 0.063 0.000 0.975 161 R CB 0.092 30.383 30.300 -0.016 0.000 0.865 161 R HN 0.307 nan 8.270 nan 0.000 0.447 162 D N -0.654 119.814 120.400 0.114 0.000 2.368 162 D HA 0.044 4.684 4.640 -0.001 0.000 0.218 162 D C 0.724 177.062 176.300 0.063 0.000 1.112 162 D CA 0.365 54.441 54.000 0.127 0.000 0.834 162 D CB 0.665 41.510 40.800 0.075 0.000 0.953 162 D HN 0.267 nan 8.370 nan 0.000 0.505 163 K N -0.539 119.891 120.400 0.049 0.000 2.443 163 K HA 0.264 4.583 4.320 -0.001 0.000 0.200 163 K C 0.509 177.085 176.600 -0.040 0.000 1.278 163 K CA 0.169 56.445 56.287 -0.018 0.000 0.925 163 K CB 1.683 34.170 32.500 -0.021 0.000 1.225 163 K HN -0.012 nan 8.250 nan 0.000 0.514 164 L N 1.043 122.295 121.223 0.048 0.000 2.386 164 L HA 0.427 4.767 4.340 -0.001 0.000 0.271 164 L C -1.515 175.509 176.870 0.256 0.000 0.993 164 L CA -0.926 53.948 54.840 0.056 0.000 0.819 164 L CB 1.693 43.768 42.059 0.027 0.000 1.294 164 L HN -0.036 nan 8.230 nan 0.000 0.414 165 W N 3.109 124.340 121.300 -0.116 0.000 2.666 165 W HA 0.599 5.259 4.660 -0.001 0.000 0.334 165 W C -0.034 176.417 176.519 -0.114 0.000 1.051 165 W CA -0.837 56.447 57.345 -0.102 0.000 1.224 165 W CB 1.249 30.627 29.460 -0.136 0.000 1.405 165 W HN 0.251 nan 8.180 nan 0.000 0.513 166 L N 1.728 123.029 121.223 0.131 0.000 2.598 166 L HA 0.361 4.701 4.340 -0.001 0.000 0.202 166 L C 0.225 177.120 176.870 0.043 0.000 1.190 166 L CA 0.032 54.920 54.840 0.080 0.000 0.869 166 L CB 0.395 42.517 42.059 0.104 0.000 1.529 166 L HN 0.309 nan 8.230 nan 0.000 0.520 167 D N 0.083 120.498 120.400 0.025 0.000 2.333 167 D HA 0.316 4.956 4.640 -0.001 0.000 0.225 167 D C -1.481 174.776 176.300 -0.070 0.000 1.345 167 D CA -0.146 53.869 54.000 0.024 0.000 0.971 167 D CB 1.499 42.359 40.800 0.101 0.000 1.451 167 D HN 0.239 nan 8.370 nan 0.000 0.561 168 V N 1.305 121.135 119.914 -0.140 0.000 2.815 168 V HA 0.803 4.923 4.120 -0.001 0.000 0.314 168 V C -2.658 173.316 176.094 -0.200 0.000 1.064 168 V CA -1.905 60.151 62.300 -0.407 0.000 0.952 168 V CB 1.569 33.152 31.823 -0.399 0.000 1.020 168 V HN 0.301 nan 8.190 nan 0.000 0.439 169 P HA 0.294 nan 4.420 nan 0.000 0.278 169 P C 0.148 177.490 177.300 0.070 0.000 1.258 169 P CA -0.147 62.919 63.100 -0.057 0.000 0.811 169 P CB 0.874 32.540 31.700 -0.056 0.000 1.063 170 D N -0.195 120.344 120.400 0.232 0.000 2.244 170 D HA -0.138 4.501 4.640 -0.001 0.000 0.197 170 D C 0.581 176.902 176.300 0.035 0.000 1.006 170 D CA 1.567 55.618 54.000 0.085 0.000 0.888 170 D CB 0.057 40.892 40.800 0.059 0.000 0.912 170 D HN 0.325 nan 8.370 nan 0.000 0.452 171 L N -0.766 120.483 121.223 0.045 0.000 2.365 171 L HA 0.417 4.757 4.340 -0.001 0.000 0.273 171 L C 1.361 178.214 176.870 -0.028 0.000 1.000 171 L CA -0.581 54.282 54.840 0.038 0.000 0.819 171 L CB 2.357 44.476 42.059 0.100 0.000 1.284 171 L HN -0.218 nan 8.230 nan 0.000 0.418 172 G N 0.893 109.615 108.800 -0.129 0.000 3.141 172 G HA2 0.067 4.026 3.960 -0.001 0.000 0.218 172 G HA3 0.067 4.026 3.960 -0.001 0.000 0.218 172 G C 1.015 175.698 174.900 -0.363 0.000 1.170 172 G CA 0.469 45.370 45.100 -0.333 0.000 0.769 172 G HN 0.837 nan 8.290 nan 0.000 0.546 173 G N 0.115 108.876 108.800 -0.065 0.000 3.042 173 G HA2 0.394 4.354 3.960 -0.001 0.000 0.212 173 G HA3 0.394 4.354 3.960 -0.001 0.000 0.212 173 G C 0.840 175.822 174.900 0.137 0.000 1.166 173 G CA 0.380 45.534 45.100 0.090 0.000 0.767 173 G HN 0.529 nan 8.290 nan 0.000 0.546 174 G N -0.114 108.811 108.800 0.208 0.000 2.562 174 G HA2 0.376 4.336 3.960 -0.001 0.000 0.275 174 G HA3 0.376 4.336 3.960 -0.001 0.000 0.275 174 G C -0.028 174.917 174.900 0.075 0.000 1.196 174 G CA -0.080 45.150 45.100 0.217 0.000 0.908 174 G HN 0.182 nan 8.290 nan 0.000 0.524 175 S N -0.688 115.018 115.700 0.010 0.000 2.474 175 S HA 0.140 4.610 4.470 -0.001 0.000 0.276 175 S C 1.574 175.978 174.600 -0.326 0.000 1.227 175 S CA -0.778 57.337 58.200 -0.143 0.000 1.050 175 S CB 0.990 64.160 63.200 -0.049 0.000 0.939 175 S HN 0.377 nan 8.310 nan 0.000 0.490 176 V N 6.040 125.580 119.914 -0.623 0.000 2.380 176 V HA -0.198 3.921 4.120 -0.001 0.000 0.251 176 V C 2.165 178.130 176.094 -0.215 0.000 1.063 176 V CA 2.312 64.221 62.300 -0.651 0.000 1.055 176 V CB -0.971 30.538 31.823 -0.523 0.000 0.657 176 V HN 0.918 nan 8.190 nan 0.000 0.455 177 L N 0.494 121.634 121.223 -0.139 0.000 2.253 177 L HA 0.386 4.726 4.340 -0.001 0.000 0.205 177 L C 2.266 179.137 176.870 0.002 0.000 1.078 177 L CA 2.143 56.955 54.840 -0.047 0.000 0.805 177 L CB -1.693 40.337 42.059 -0.049 0.000 0.963 177 L HN 0.088 nan 8.230 nan 0.000 0.459 178 G N 0.523 109.314 108.800 -0.016 0.000 2.459 178 G HA2 -0.367 3.593 3.960 -0.001 0.000 0.217 178 G HA3 -0.367 3.593 3.960 -0.001 0.000 0.217 178 G C 1.583 176.519 174.900 0.060 0.000 1.183 178 G CA 0.921 46.024 45.100 0.006 0.000 0.776 178 G HN 0.561 nan 8.290 nan 0.000 0.552 179 N N 1.574 120.347 118.700 0.122 0.000 2.069 179 N HA -0.133 4.607 4.740 -0.001 0.000 0.191 179 N C 2.505 178.166 175.510 0.251 0.000 1.031 179 N CA 1.705 54.890 53.050 0.225 0.000 0.852 179 N CB -0.348 38.374 38.487 0.392 0.000 1.018 179 N HN 0.249 nan 8.380 nan 0.000 0.423 180 A N 1.013 123.989 122.820 0.261 0.000 1.902 180 A HA -0.105 4.215 4.320 -0.001 0.000 0.217 180 A C 2.490 180.297 177.584 0.371 0.000 1.181 180 A CA 2.068 54.298 52.037 0.323 0.000 0.623 180 A CB -0.994 18.129 19.000 0.206 0.000 0.818 180 A HN 0.336 nan 8.150 nan 0.000 0.443 181 V N -2.859 117.187 119.914 0.219 0.000 2.809 181 V HA -0.046 4.074 4.120 -0.001 0.000 0.256 181 V C 1.583 177.606 176.094 -0.118 0.000 1.080 181 V CA 2.166 64.518 62.300 0.087 0.000 1.102 181 V CB -0.564 31.276 31.823 0.029 0.000 0.705 181 V HN 0.366 nan 8.190 nan 0.000 0.475 182 E N 0.586 120.757 120.200 -0.048 0.000 2.489 182 E HA 0.167 4.517 4.350 -0.001 0.000 0.193 182 E C 0.828 177.366 176.600 -0.104 0.000 1.057 182 E CA 0.130 56.454 56.400 -0.127 0.000 0.866 182 E CB -0.101 29.537 29.700 -0.104 0.000 0.916 182 E HN 0.714 nan 8.360 nan 0.000 0.500 183 R N -0.925 119.592 120.500 0.028 0.000 3.654 183 R HA -0.115 4.225 4.340 -0.001 0.000 0.302 183 R C 0.671 177.098 176.300 0.211 0.000 1.166 183 R CA 0.484 56.666 56.100 0.137 0.000 0.810 183 R CB -2.377 27.945 30.300 0.037 0.000 1.323 183 R HN 0.187 nan 8.270 nan 0.000 0.478 184 G N 0.274 109.169 108.800 0.159 0.000 2.636 184 G HA2 0.412 4.372 3.960 -0.001 0.000 0.246 184 G HA3 0.412 4.372 3.960 -0.001 0.000 0.246 184 G C 0.267 175.016 174.900 -0.252 0.000 1.216 184 G CA -0.249 44.898 45.100 0.078 0.000 0.854 184 G HN 0.039 nan 8.290 nan 0.000 0.572 185 V N -0.224 119.431 119.914 -0.433 0.000 2.960 185 V HA 0.888 5.007 4.120 -0.001 0.000 0.315 185 V C 0.796 176.344 176.094 -0.910 0.000 1.087 185 V CA -0.113 61.768 62.300 -0.699 0.000 0.982 185 V CB 1.718 33.197 31.823 -0.574 0.000 1.039 185 V HN 1.119 nan 8.190 nan 0.000 0.437 186 G N -0.181 108.082 108.800 -0.895 0.000 2.816 186 G HA2 0.598 4.557 3.960 -0.001 0.000 0.288 186 G HA3 0.598 4.557 3.960 -0.001 0.000 0.288 186 G C -1.402 172.902 174.900 -0.993 0.000 1.334 186 G CA -0.349 44.257 45.100 -0.823 0.000 0.978 186 G HN 0.562 nan 8.290 nan 0.000 0.493 187 Y N 0.004 120.315 120.300 0.019 0.000 2.720 187 Y HA 0.339 4.888 4.550 -0.001 0.000 0.268 187 Y C 1.418 177.385 175.900 0.112 0.000 1.142 187 Y CA -0.450 57.669 58.100 0.032 0.000 1.193 187 Y CB 0.292 38.743 38.460 -0.015 0.000 1.176 187 Y HN 0.603 nan 8.280 nan 0.000 0.542 188 T N -4.069 110.580 114.554 0.159 0.000 2.919 188 T HA 0.372 4.721 4.350 -0.001 0.000 0.282 188 T C -2.174 172.560 174.700 0.057 0.000 1.020 188 T CA -2.556 59.622 62.100 0.130 0.000 0.994 188 T CB 1.987 70.913 68.868 0.096 0.000 1.180 188 T HN -0.283 nan 8.240 nan 0.000 0.566 189 P HA 0.047 nan 4.420 nan 0.000 0.228 189 P C -0.159 177.246 177.300 0.175 0.000 1.151 189 P CA 0.758 63.877 63.100 0.031 0.000 0.770 189 P CB -0.187 31.475 31.700 -0.063 0.000 0.786 190 Y N -1.480 118.817 120.300 -0.006 0.000 2.751 190 Y HA 0.390 4.940 4.550 -0.001 0.000 0.289 190 Y C 2.058 178.022 175.900 0.107 0.000 1.110 190 Y CA -0.616 57.522 58.100 0.063 0.000 1.251 190 Y CB -0.640 37.865 38.460 0.076 0.000 1.178 190 Y HN -0.084 nan 8.280 nan 0.000 0.540 191 G N -0.755 108.147 108.800 0.170 0.000 2.448 191 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.218 191 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.218 191 G C 0.621 175.554 174.900 0.056 0.000 1.135 191 G CA 0.314 45.456 45.100 0.071 0.000 0.784 191 G HN 0.229 nan 8.290 nan 0.000 0.543 192 D N 0.125 120.570 120.400 0.076 0.000 2.455 192 D HA 0.086 4.726 4.640 -0.001 0.000 0.234 192 D C 1.167 177.600 176.300 0.221 0.000 1.224 192 D CA -0.216 53.827 54.000 0.072 0.000 0.999 192 D CB -0.311 40.530 40.800 0.068 0.000 1.072 192 D HN 0.479 nan 8.370 nan 0.000 0.514 193 H N 2.132 121.258 119.070 0.094 0.000 2.319 193 H HA -0.175 4.381 4.556 -0.001 0.000 0.299 193 H C 1.787 177.195 175.328 0.133 0.000 1.092 193 H CA 0.839 56.963 56.048 0.127 0.000 1.302 193 H CB 0.121 29.978 29.762 0.159 0.000 1.373 193 H HN 0.591 nan 8.280 nan 0.000 0.497 194 W N 1.462 122.878 121.300 0.193 0.000 2.350 194 W HA -0.210 4.449 4.660 -0.001 0.000 0.289 194 W C 1.576 178.197 176.519 0.171 0.000 1.215 194 W CA 0.765 58.180 57.345 0.116 0.000 1.236 194 W CB -0.131 29.364 29.460 0.059 0.000 1.130 194 W HN 0.183 nan 8.180 nan 0.000 0.541 195 M N 0.575 120.201 119.600 0.045 0.000 2.686 195 M HA -0.067 4.413 4.480 -0.001 0.000 0.246 195 M C 1.229 177.378 176.300 -0.252 0.000 1.096 195 M CA 1.111 56.364 55.300 -0.079 0.000 1.076 195 M CB -0.502 32.141 32.600 0.073 0.000 1.504 195 M HN -0.138 nan 8.290 nan 0.000 0.524 196 M N -1.240 118.206 119.600 -0.256 0.000 2.404 196 M HA 0.167 4.647 4.480 -0.001 0.000 0.271 196 M C -0.029 175.825 176.300 -0.743 0.000 1.128 196 M CA 0.024 55.121 55.300 -0.339 0.000 0.982 196 M CB -1.300 31.337 32.600 0.061 0.000 1.445 196 M HN 0.297 nan 8.290 nan 0.000 0.495 197 H N -1.071 117.467 119.070 -0.887 0.000 2.482 197 H HA 0.664 5.219 4.556 -0.001 0.000 0.344 197 H C -0.492 174.228 175.328 -1.014 0.000 1.151 197 H CA -0.607 54.942 56.048 -0.831 0.000 1.300 197 H CB 1.407 30.709 29.762 -0.766 0.000 1.494 197 H HN 0.031 nan 8.280 nan 0.000 0.542 198 S N 2.441 117.609 115.700 -0.886 0.000 2.586 198 S HA 0.484 4.953 4.470 -0.001 0.000 0.296 198 S C -0.589 173.845 174.600 -0.277 0.000 1.120 198 S CA -0.041 57.725 58.200 -0.722 0.000 0.927 198 S CB 0.159 62.975 63.200 -0.641 0.000 1.114 198 S HN 1.964 nan 8.310 nan 0.000 0.453 199 G N 4.253 112.950 108.800 -0.172 0.000 2.897 199 G HA2 0.062 4.022 3.960 -0.001 0.000 0.436 199 G HA3 0.062 4.022 3.960 -0.001 0.000 0.436 199 G C -0.660 174.299 174.900 0.099 0.000 1.079 199 G CA -0.079 44.927 45.100 -0.156 0.000 1.090 199 G HN 1.531 nan 8.290 nan 0.000 0.480 200 M N 0.062 119.837 119.600 0.292 0.000 2.518 200 M HA 0.842 5.322 4.480 -0.001 0.000 0.300 200 M C -0.532 175.940 176.300 0.288 0.000 1.175 200 M CA -1.099 54.353 55.300 0.252 0.000 0.890 200 M CB 2.630 35.302 32.600 0.120 0.000 1.710 200 M HN 0.269 nan 8.290 nan 0.000 0.453 201 E N 1.917 122.254 120.200 0.228 0.000 2.171 201 E HA 0.700 5.049 4.350 -0.001 0.000 0.271 201 E C -1.796 174.750 176.600 -0.090 0.000 0.916 201 E CA -0.821 55.610 56.400 0.051 0.000 0.774 201 E CB 2.079 31.826 29.700 0.078 0.000 1.128 201 E HN 0.674 nan 8.360 nan 0.000 0.403 202 V N 3.570 123.367 119.914 -0.194 0.000 2.876 202 V HA 0.313 4.432 4.120 -0.001 0.000 0.312 202 V C -0.531 175.451 176.094 -0.187 0.000 1.085 202 V CA -0.982 61.150 62.300 -0.281 0.000 0.945 202 V CB 2.035 33.490 31.823 -0.613 0.000 1.017 202 V HN 0.491 nan 8.190 nan 0.000 0.428 203 V N 5.380 125.209 119.914 -0.142 0.000 2.288 203 V HA 0.341 4.461 4.120 -0.001 0.000 0.266 203 V C 0.355 176.411 176.094 -0.064 0.000 1.048 203 V CA -0.210 62.037 62.300 -0.088 0.000 0.842 203 V CB 0.632 32.416 31.823 -0.065 0.000 1.064 203 V HN 0.634 nan 8.190 nan 0.000 0.472 204 L N 3.197 124.395 121.223 -0.041 0.000 2.444 204 L HA 0.192 4.531 4.340 -0.001 0.000 0.251 204 L C 2.080 178.957 176.870 0.012 0.000 1.247 204 L CA 0.386 55.234 54.840 0.012 0.000 0.825 204 L CB 0.020 42.100 42.059 0.036 0.000 1.129 204 L HN 0.601 nan 8.230 nan 0.000 0.527 205 A N 0.582 123.416 122.820 0.024 0.000 2.015 205 A HA -0.160 4.160 4.320 -0.001 0.000 0.219 205 A C 1.783 179.381 177.584 0.024 0.000 1.163 205 A CA 1.600 53.651 52.037 0.022 0.000 0.646 205 A CB -0.865 18.148 19.000 0.021 0.000 0.806 205 A HN 0.942 nan 8.150 nan 0.000 0.448 206 N N -1.462 117.250 118.700 0.019 0.000 2.409 206 N HA 0.224 4.963 4.740 -0.001 0.000 0.179 206 N C 1.156 176.673 175.510 0.012 0.000 1.032 206 N CA 1.785 54.846 53.050 0.017 0.000 0.898 206 N CB -0.276 38.219 38.487 0.013 0.000 0.971 206 N HN 0.694 nan 8.380 nan 0.000 0.441 207 G N -0.582 108.221 108.800 0.005 0.000 2.391 207 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.204 207 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.204 207 G C -0.532 174.358 174.900 -0.017 0.000 1.012 207 G CA -0.146 44.952 45.100 -0.003 0.000 0.651 207 G HN 0.410 nan 8.290 nan 0.000 0.494 208 E N 1.390 121.581 120.200 -0.014 0.000 2.480 208 E HA 0.364 4.713 4.350 -0.001 0.000 0.258 208 E C 0.529 177.106 176.600 -0.039 0.000 0.984 208 E CA -0.107 56.279 56.400 -0.024 0.000 0.930 208 E CB 0.994 30.686 29.700 -0.014 0.000 0.936 208 E HN 0.376 nan 8.360 nan 0.000 0.466 209 L N 4.013 125.202 121.223 -0.056 0.000 2.439 209 L HA 0.290 4.629 4.340 -0.001 0.000 0.269 209 L C -0.187 176.631 176.870 -0.087 0.000 1.179 209 L CA 0.028 54.819 54.840 -0.082 0.000 0.828 209 L CB 0.426 42.428 42.059 -0.096 0.000 1.106 209 L HN 0.483 nan 8.230 nan 0.000 0.467 210 L N 3.580 124.735 121.223 -0.114 0.000 2.482 210 L HA 0.518 4.858 4.340 -0.001 0.000 0.263 210 L C -1.236 175.556 176.870 -0.130 0.000 0.957 210 L CA -0.620 54.159 54.840 -0.101 0.000 0.836 210 L CB 1.675 43.685 42.059 -0.081 0.000 1.324 210 L HN 0.517 nan 8.230 nan 0.000 0.406 211 R N 1.822 122.259 120.500 -0.105 0.000 2.740 211 R HA 0.660 5.000 4.340 -0.001 0.000 0.282 211 R C -0.665 175.663 176.300 0.048 0.000 0.969 211 R CA -0.637 55.419 56.100 -0.073 0.000 0.918 211 R CB 1.801 31.973 30.300 -0.214 0.000 1.175 211 R HN 0.749 nan 8.270 nan 0.000 0.464 212 T N -2.272 112.371 114.554 0.148 0.000 2.923 212 T HA 0.621 4.970 4.350 -0.001 0.000 0.281 212 T C 0.972 175.778 174.700 0.177 0.000 0.995 212 T CA 0.084 62.287 62.100 0.173 0.000 0.985 212 T CB 1.675 70.675 68.868 0.221 0.000 1.114 212 T HN 0.752 nan 8.240 nan 0.000 0.548 213 G N 1.219 110.131 108.800 0.187 0.000 2.634 213 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.309 213 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.309 213 G C 0.897 175.862 174.900 0.107 0.000 1.265 213 G CA 0.436 45.609 45.100 0.123 0.000 0.998 213 G HN 0.776 nan 8.290 nan 0.000 0.551 214 M N 2.382 122.027 119.600 0.075 0.000 2.722 214 M HA 0.074 4.554 4.480 -0.001 0.000 0.238 214 M C 2.498 178.859 176.300 0.103 0.000 1.098 214 M CA 1.378 56.736 55.300 0.097 0.000 1.062 214 M CB -1.273 31.388 32.600 0.102 0.000 1.573 214 M HN 0.683 nan 8.290 nan 0.000 0.531 215 G N -0.156 108.735 108.800 0.151 0.000 2.572 215 G HA2 0.075 4.034 3.960 -0.001 0.000 0.216 215 G HA3 0.075 4.034 3.960 -0.001 0.000 0.216 215 G C 1.557 176.490 174.900 0.055 0.000 1.133 215 G CA 0.771 46.020 45.100 0.248 0.000 0.791 215 G HN 0.531 nan 8.290 nan 0.000 0.538 216 A N -0.131 122.728 122.820 0.064 0.000 2.016 216 A HA 0.301 4.621 4.320 -0.001 0.000 0.217 216 A C 1.180 178.780 177.584 0.027 0.000 1.162 216 A CA 0.181 52.239 52.037 0.035 0.000 0.662 216 A CB -0.088 18.956 19.000 0.074 0.000 0.812 216 A HN 0.326 nan 8.150 nan 0.000 0.450 217 L N 2.451 123.702 121.223 0.046 0.000 2.325 217 L HA 0.312 4.652 4.340 -0.001 0.000 0.284 217 L C -2.555 174.329 176.870 0.023 0.000 1.089 217 L CA -2.040 52.821 54.840 0.035 0.000 0.836 217 L CB 0.642 42.732 42.059 0.052 0.000 1.184 217 L HN 0.062 nan 8.230 nan 0.000 0.444 218 P HA 0.098 nan 4.420 nan 0.000 0.284 218 P C -0.715 176.590 177.300 0.009 0.000 1.253 218 P CA -0.589 62.505 63.100 -0.010 0.000 0.800 218 P CB 1.053 32.738 31.700 -0.025 0.000 0.961 219 D N 3.771 124.181 120.400 0.018 0.000 2.487 219 D HA 0.080 4.720 4.640 -0.001 0.000 0.243 219 D C -1.832 174.478 176.300 0.018 0.000 1.154 219 D CA -0.850 53.171 54.000 0.035 0.000 0.876 219 D CB -0.487 40.343 40.800 0.050 0.000 1.161 219 D HN 0.188 nan 8.370 nan 0.000 0.478 220 P HA -0.023 nan 4.420 nan 0.000 0.264 220 P C -0.311 176.995 177.300 0.011 0.000 1.183 220 P CA 0.175 63.282 63.100 0.012 0.000 0.763 220 P CB 0.391 32.099 31.700 0.014 0.000 0.807 221 K N 3.252 123.655 120.400 0.005 0.000 2.440 221 K HA 0.123 4.443 4.320 -0.001 0.000 0.270 221 K C 0.695 177.299 176.600 0.007 0.000 0.980 221 K CA 0.491 56.780 56.287 0.004 0.000 0.953 221 K CB 0.248 32.748 32.500 -0.000 0.000 0.925 221 K HN 0.585 nan 8.250 nan 0.000 0.497 222 R N 1.210 121.714 120.500 0.008 0.000 2.634 222 R HA 0.175 4.514 4.340 -0.001 0.000 0.263 222 R C -2.824 173.481 176.300 0.009 0.000 1.060 222 R CA -1.559 54.547 56.100 0.010 0.000 0.898 222 R CB 0.842 31.151 30.300 0.015 0.000 1.253 222 R HN 0.209 nan 8.270 nan 0.000 0.461 223 P HA -0.245 nan 4.420 nan 0.000 0.219 223 P C 0.207 177.511 177.300 0.007 0.000 1.161 223 P CA 1.710 64.814 63.100 0.006 0.000 0.909 223 P CB 0.182 31.886 31.700 0.006 0.000 0.793 224 E N -1.662 118.544 120.200 0.011 0.000 2.409 224 E HA -0.067 4.283 4.350 -0.001 0.000 0.198 224 E C 1.325 177.933 176.600 0.014 0.000 1.024 224 E CA 1.411 57.818 56.400 0.013 0.000 0.861 224 E CB -0.988 28.722 29.700 0.017 0.000 0.788 224 E HN 0.431 nan 8.360 nan 0.000 0.521 225 T N -2.822 111.739 114.554 0.013 0.000 3.084 225 T HA 0.270 4.620 4.350 -0.001 0.000 0.270 225 T C 0.506 175.208 174.700 0.003 0.000 1.008 225 T CA -0.525 61.581 62.100 0.011 0.000 0.900 225 T CB 0.091 68.969 68.868 0.017 0.000 1.084 225 T HN -0.165 nan 8.240 nan 0.000 0.538 226 M N 1.776 121.377 119.600 0.001 0.000 2.243 226 M HA 0.430 4.910 4.480 -0.001 0.000 0.341 226 M C 1.845 178.142 176.300 -0.005 0.000 1.130 226 M CA 0.898 56.196 55.300 -0.003 0.000 1.162 226 M CB -0.325 32.273 32.600 -0.002 0.000 1.497 226 M HN 0.572 nan 8.290 nan 0.000 0.456 227 G N 2.066 110.861 108.800 -0.009 0.000 2.189 227 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.267 227 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.267 227 G C 0.154 175.045 174.900 -0.015 0.000 0.975 227 G CA 0.089 45.182 45.100 -0.011 0.000 0.644 227 G HN 0.593 nan 8.290 nan 0.000 0.537 228 L N 0.770 121.984 121.223 -0.015 0.000 2.456 228 L HA 0.263 4.602 4.340 -0.001 0.000 0.272 228 L C 1.292 178.144 176.870 -0.029 0.000 1.189 228 L CA -0.217 54.611 54.840 -0.018 0.000 0.846 228 L CB 0.408 42.457 42.059 -0.015 0.000 1.111 228 L HN 0.098 nan 8.230 nan 0.000 0.475 229 K N 3.334 123.715 120.400 -0.031 0.000 2.336 229 K HA 0.034 4.354 4.320 -0.001 0.000 0.262 229 K C -1.495 175.071 176.600 -0.058 0.000 0.992 229 K CA -1.250 55.013 56.287 -0.040 0.000 0.927 229 K CB 0.236 32.714 32.500 -0.037 0.000 0.956 229 K HN 0.310 nan 8.250 nan 0.000 0.495 230 P HA -0.259 nan 4.420 nan 0.000 0.215 230 P C 0.527 177.747 177.300 -0.133 0.000 1.163 230 P CA 1.684 64.722 63.100 -0.104 0.000 0.894 230 P CB 0.034 31.674 31.700 -0.099 0.000 0.791 231 E N -0.518 119.617 120.200 -0.108 0.000 2.187 231 E HA -0.208 4.141 4.350 -0.001 0.000 0.199 231 E C 1.004 177.557 176.600 -0.080 0.000 1.004 231 E CA 1.430 57.770 56.400 -0.100 0.000 0.813 231 E CB -0.762 28.900 29.700 -0.062 0.000 0.736 231 E HN 0.360 nan 8.360 nan 0.000 0.468 232 D N 0.194 120.558 120.400 -0.061 0.000 2.369 232 D HA 0.036 4.676 4.640 -0.001 0.000 0.211 232 D C 0.003 176.287 176.300 -0.028 0.000 1.077 232 D CA 0.126 54.110 54.000 -0.026 0.000 0.842 232 D CB 0.175 40.967 40.800 -0.013 0.000 0.947 232 D HN 0.238 nan 8.370 nan 0.000 0.509 233 Q N 1.985 121.738 119.800 -0.079 0.000 2.373 233 Q HA 0.209 4.549 4.340 -0.001 0.000 0.255 233 Q C -2.010 173.948 176.000 -0.069 0.000 0.980 233 Q CA -1.281 54.477 55.803 -0.075 0.000 0.882 233 Q CB 0.617 29.284 28.738 -0.118 0.000 1.249 233 Q HN 0.080 nan 8.270 nan 0.000 0.438 234 P HA 0.064 nan 4.420 nan 0.000 0.274 234 P C -1.248 176.137 177.300 0.140 0.000 1.260 234 P CA -0.135 63.063 63.100 0.165 0.000 0.793 234 P CB 0.524 32.313 31.700 0.149 0.000 1.048 235 W N -0.655 120.682 121.300 0.061 0.000 2.647 235 W HA 0.373 5.033 4.660 -0.001 0.000 0.353 235 W C 0.477 177.003 176.519 0.011 0.000 1.080 235 W CA -0.233 57.126 57.345 0.024 0.000 1.208 235 W CB 0.285 29.757 29.460 0.021 0.000 1.396 235 W HN 0.275 nan 8.180 nan 0.000 0.573 236 S N 0.897 116.731 115.700 0.223 0.000 2.580 236 S HA 0.061 4.531 4.470 -0.001 0.000 0.266 236 S C 1.158 175.832 174.600 0.122 0.000 1.354 236 S CA -0.246 58.034 58.200 0.135 0.000 1.008 236 S CB 0.669 63.921 63.200 0.087 0.000 0.898 236 S HN 0.594 nan 8.310 nan 0.000 0.555 237 K N 0.827 121.284 120.400 0.096 0.000 2.000 237 K HA -0.174 4.146 4.320 -0.001 0.000 0.218 237 K C 1.474 178.110 176.600 0.060 0.000 1.053 237 K CA 1.652 57.993 56.287 0.090 0.000 0.946 237 K CB -0.762 31.780 32.500 0.070 0.000 0.723 237 K HN 0.582 nan 8.250 nan 0.000 0.446 238 I N 1.482 122.076 120.570 0.041 0.000 3.334 238 I HA -0.005 4.164 4.170 -0.001 0.000 0.282 238 I C 2.276 178.379 176.117 -0.025 0.000 1.313 238 I CA 0.620 61.938 61.300 0.030 0.000 1.396 238 I CB -1.840 36.194 38.000 0.057 0.000 1.054 238 I HN 0.250 nan 8.210 nan 0.000 0.495 239 A N 0.999 123.749 122.820 -0.116 0.000 1.986 239 A HA -0.212 4.108 4.320 -0.001 0.000 0.220 239 A C 1.623 178.797 177.584 -0.684 0.000 1.171 239 A CA 1.669 53.513 52.037 -0.323 0.000 0.640 239 A CB -0.940 17.832 19.000 -0.379 0.000 0.811 239 A HN 0.615 nan 8.150 nan 0.000 0.451 240 H N -2.050 116.801 119.070 -0.365 0.000 2.512 240 H HA 0.477 5.032 4.556 -0.001 0.000 0.276 240 H C 0.830 176.066 175.328 -0.153 0.000 1.126 240 H CA -0.105 55.617 56.048 -0.543 0.000 1.060 240 H CB 0.381 29.357 29.762 -1.311 0.000 1.646 240 H HN 0.367 nan 8.280 nan 0.000 0.571 241 L N -1.064 120.193 121.223 0.056 0.000 2.717 241 L HA 0.269 4.609 4.340 -0.001 0.000 0.239 241 L C -0.463 176.567 176.870 0.265 0.000 1.086 241 L CA 0.019 54.954 54.840 0.158 0.000 0.897 241 L CB 0.844 42.939 42.059 0.059 0.000 1.214 241 L HN 0.092 nan 8.230 nan 0.000 0.508 242 F N 2.150 122.114 119.950 0.022 0.000 2.557 242 F HA 0.509 5.036 4.527 -0.001 0.000 0.316 242 F C -2.295 173.431 175.800 -0.125 0.000 1.141 242 F CA -2.550 55.415 58.000 -0.058 0.000 0.922 242 F CB 2.127 41.067 39.000 -0.100 0.000 1.194 242 F HN -0.277 nan 8.300 nan 0.000 0.443 243 P HA -0.082 nan 4.420 nan 0.000 0.222 243 P C 1.153 178.088 177.300 -0.608 0.000 1.157 243 P CA 1.167 63.933 63.100 -0.556 0.000 0.816 243 P CB 0.252 31.546 31.700 -0.677 0.000 0.813 244 Y N 0.832 120.372 120.300 -1.267 0.000 2.293 244 Y HA 0.078 4.628 4.550 -0.001 0.000 0.291 244 Y C 2.311 177.888 175.900 -0.538 0.000 1.137 244 Y CA 0.443 57.858 58.100 -1.142 0.000 1.202 244 Y CB -1.597 36.154 38.460 -1.182 0.000 0.990 244 Y HN 0.078 nan 8.280 nan 0.000 0.537 245 G N 0.476 109.143 108.800 -0.222 0.000 2.622 245 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.307 245 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.307 245 G C -0.464 174.594 174.900 0.263 0.000 1.226 245 G CA 0.593 45.764 45.100 0.119 0.000 0.997 245 G HN 0.420 nan 8.290 nan 0.000 0.551 246 F N 0.433 120.435 119.950 0.087 0.000 2.641 246 F HA 0.603 5.130 4.527 -0.001 0.000 0.308 246 F C 0.636 176.479 175.800 0.072 0.000 1.105 246 F CA 1.464 59.519 58.000 0.091 0.000 0.964 246 F CB 1.273 40.327 39.000 0.090 0.000 1.294 246 F HN 2.436 nan 8.300 nan 0.000 0.442 247 G N 3.895 112.236 108.800 -0.766 0.000 2.632 247 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.224 247 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.224 247 G C -2.717 172.071 174.900 -0.187 0.000 1.341 247 G CA -0.656 44.134 45.100 -0.516 0.000 0.880 247 G HN 0.690 nan 8.290 nan 0.000 0.566 248 P HA 0.294 nan 4.420 nan 0.000 0.262 248 P C -0.656 176.703 177.300 0.098 0.000 1.199 248 P CA 0.126 63.226 63.100 0.001 0.000 0.763 248 P CB 0.163 31.870 31.700 0.012 0.000 0.790 249 Y N 5.039 125.315 120.300 -0.040 0.000 2.691 249 Y HA 0.225 4.774 4.550 -0.001 0.000 0.338 249 Y C 1.091 177.034 175.900 0.073 0.000 1.148 249 Y CA -1.263 56.844 58.100 0.011 0.000 1.430 249 Y CB -0.595 37.829 38.460 -0.060 0.000 1.303 249 Y HN 0.353 nan 8.280 nan 0.000 0.499 250 I N -0.649 119.950 120.570 0.049 0.000 3.444 250 I HA 0.022 4.191 4.170 -0.001 0.000 0.287 250 I C 1.132 177.253 176.117 0.006 0.000 1.302 250 I CA 0.674 61.972 61.300 -0.003 0.000 1.368 250 I CB -0.039 38.029 38.000 0.113 0.000 1.048 250 I HN 0.236 nan 8.210 nan 0.000 0.487 251 D N 2.708 123.088 120.400 -0.035 0.000 2.126 251 D HA -0.197 4.443 4.640 -0.001 0.000 0.190 251 D C 2.356 178.809 176.300 0.256 0.000 1.001 251 D CA 2.182 56.316 54.000 0.222 0.000 0.841 251 D CB -0.580 40.326 40.800 0.176 0.000 0.949 251 D HN 0.529 nan 8.370 nan 0.000 0.446 252 G N 0.077 108.891 108.800 0.025 0.000 2.535 252 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.218 252 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.218 252 G C 1.428 176.134 174.900 -0.322 0.000 1.122 252 G CA 0.189 45.199 45.100 -0.150 0.000 0.769 252 G HN 0.247 nan 8.290 nan 0.000 0.549 253 L N -0.764 120.220 121.223 -0.397 0.000 2.201 253 L HA 0.051 4.390 4.340 -0.001 0.000 0.212 253 L C 1.821 178.280 176.870 -0.685 0.000 1.105 253 L CA 0.588 55.074 54.840 -0.590 0.000 0.775 253 L CB -0.327 41.242 42.059 -0.818 0.000 0.913 253 L HN 0.154 nan 8.230 nan 0.000 0.440 254 F N -0.694 119.139 119.950 -0.195 0.000 2.773 254 F HA 0.095 4.622 4.527 -0.001 0.000 0.304 254 F C 1.192 176.791 175.800 -0.335 0.000 1.129 254 F CA -0.036 57.843 58.000 -0.201 0.000 1.378 254 F CB -0.284 38.662 39.000 -0.089 0.000 1.095 254 F HN -0.170 nan 8.300 nan 0.000 0.565 255 S N 0.834 116.270 115.700 -0.441 0.000 2.457 255 S HA 0.227 4.697 4.470 -0.001 0.000 0.289 255 S C 0.206 174.543 174.600 -0.437 0.000 1.163 255 S CA -0.583 57.232 58.200 -0.641 0.000 1.078 255 S CB 0.624 63.134 63.200 -1.149 0.000 0.987 255 S HN 0.304 nan 8.310 nan 0.000 0.482 256 Q N 0.753 120.340 119.800 -0.356 0.000 2.435 256 Q HA -0.196 4.144 4.340 -0.001 0.000 0.312 256 Q C -0.099 175.733 176.000 -0.280 0.000 1.333 256 Q CA 0.813 56.434 55.803 -0.304 0.000 0.883 256 Q CB -1.949 26.606 28.738 -0.306 0.000 1.170 256 Q HN 0.742 nan 8.270 nan 0.000 0.443 257 S N -0.585 114.951 115.700 -0.274 0.000 2.685 257 S HA 0.640 5.109 4.470 -0.001 0.000 0.282 257 S C 0.045 174.487 174.600 -0.262 0.000 1.159 257 S CA -0.359 57.682 58.200 -0.265 0.000 0.833 257 S CB 1.368 64.400 63.200 -0.280 0.000 1.151 257 S HN 0.309 nan 8.310 nan 0.000 0.485 258 N N 0.115 118.664 118.700 -0.252 0.000 2.275 258 N HA 0.197 4.937 4.740 -0.001 0.000 0.236 258 N C 0.664 176.081 175.510 -0.155 0.000 1.154 258 N CA -0.360 52.549 53.050 -0.235 0.000 0.866 258 N CB -0.079 38.252 38.487 -0.260 0.000 1.093 258 N HN 0.492 nan 8.380 nan 0.000 0.515 259 M N -0.474 119.044 119.600 -0.137 0.000 2.562 259 M HA 0.285 4.765 4.480 -0.001 0.000 0.257 259 M C 0.638 177.023 176.300 0.142 0.000 1.099 259 M CA 0.300 55.550 55.300 -0.082 0.000 1.099 259 M CB -0.484 31.934 32.600 -0.304 0.000 1.427 259 M HN 0.328 nan 8.290 nan 0.000 0.489 260 G N 0.274 109.186 108.800 0.187 0.000 2.601 260 G HA2 0.565 4.524 3.960 -0.001 0.000 0.291 260 G HA3 0.565 4.524 3.960 -0.001 0.000 0.291 260 G C -1.602 173.296 174.900 -0.004 0.000 1.456 260 G CA -0.785 44.412 45.100 0.163 0.000 0.804 260 G HN 0.115 nan 8.290 nan 0.000 0.499 261 I N 1.307 121.834 120.570 -0.072 0.000 2.306 261 I HA 0.257 4.426 4.170 -0.001 0.000 0.288 261 I C 0.166 176.211 176.117 -0.120 0.000 1.036 261 I CA -0.712 60.528 61.300 -0.100 0.000 1.221 261 I CB 1.714 39.662 38.000 -0.086 0.000 1.385 261 I HN 0.122 nan 8.210 nan 0.000 0.472 262 V N 6.169 126.014 119.914 -0.114 0.000 2.439 262 V HA 0.030 4.149 4.120 -0.001 0.000 0.271 262 V C 1.323 177.375 176.094 -0.070 0.000 1.040 262 V CA 0.451 62.688 62.300 -0.104 0.000 1.002 262 V CB 0.746 32.528 31.823 -0.067 0.000 1.000 262 V HN 0.932 nan 8.190 nan 0.000 0.477 263 T N 1.653 116.174 114.554 -0.055 0.000 3.015 263 T HA 0.314 4.664 4.350 -0.001 0.000 0.250 263 T C 0.464 175.170 174.700 0.010 0.000 1.057 263 T CA 0.030 62.112 62.100 -0.030 0.000 1.066 263 T CB 0.387 69.236 68.868 -0.033 0.000 0.959 263 T HN 0.510 nan 8.240 nan 0.000 0.488 264 K N -0.045 120.385 120.400 0.049 0.000 2.562 264 K HA 0.706 5.026 4.320 -0.001 0.000 0.267 264 K C -2.057 174.609 176.600 0.109 0.000 0.938 264 K CA -0.688 55.663 56.287 0.106 0.000 0.840 264 K CB 2.910 35.572 32.500 0.270 0.000 1.390 264 K HN 0.176 nan 8.250 nan 0.000 0.428 265 I N 0.413 120.998 120.570 0.025 0.000 2.787 265 I HA 0.426 4.596 4.170 -0.001 0.000 0.294 265 I C -1.013 175.003 176.117 -0.168 0.000 1.365 265 I CA -0.508 60.775 61.300 -0.029 0.000 1.029 265 I CB 2.080 40.066 38.000 -0.023 0.000 1.313 265 I HN 0.735 nan 8.210 nan 0.000 0.431 266 G N 7.114 115.782 108.800 -0.220 0.000 2.332 266 G HA2 0.633 4.593 3.960 -0.001 0.000 0.310 266 G HA3 0.633 4.593 3.960 -0.001 0.000 0.310 266 G C -1.100 173.659 174.900 -0.236 0.000 1.123 266 G CA -0.259 44.627 45.100 -0.356 0.000 0.873 266 G HN 0.274 nan 8.290 nan 0.000 0.460 267 I N 1.713 122.199 120.570 -0.140 0.000 2.545 267 I HA 0.416 4.586 4.170 -0.001 0.000 0.292 267 I C -0.746 175.471 176.117 0.168 0.000 1.040 267 I CA -1.891 59.365 61.300 -0.073 0.000 1.068 267 I CB 1.695 39.676 38.000 -0.031 0.000 1.251 267 I HN 0.435 nan 8.210 nan 0.000 0.424 268 W N 6.134 127.482 121.300 0.080 0.000 2.202 268 W HA 0.483 5.142 4.660 -0.001 0.000 0.332 268 W C -0.231 176.435 176.519 0.244 0.000 1.263 268 W CA -0.561 56.896 57.345 0.186 0.000 1.223 268 W CB 0.386 29.939 29.460 0.155 0.000 1.128 268 W HN 0.170 nan 8.180 nan 0.000 0.573 269 L N 3.569 125.002 121.223 0.350 0.000 2.354 269 L HA 0.480 4.820 4.340 -0.001 0.000 0.269 269 L C 0.035 176.721 176.870 -0.307 0.000 1.005 269 L CA -1.166 53.695 54.840 0.035 0.000 0.819 269 L CB 1.968 44.041 42.059 0.023 0.000 1.311 269 L HN 0.220 nan 8.230 nan 0.000 0.423 270 M N 4.712 123.842 119.600 -0.783 0.000 2.146 270 M HA 0.304 4.783 4.480 -0.001 0.000 0.352 270 M C -2.298 173.762 176.300 -0.401 0.000 1.343 270 M CA -1.507 53.237 55.300 -0.927 0.000 1.115 270 M CB 1.152 33.143 32.600 -1.015 0.000 1.657 270 M HN 0.164 nan 8.290 nan 0.000 0.471 271 P HA -0.047 nan 4.420 nan 0.000 0.267 271 P C -0.735 176.287 177.300 -0.462 0.000 1.209 271 P CA 0.075 63.011 63.100 -0.273 0.000 0.763 271 P CB 0.155 31.740 31.700 -0.190 0.000 0.816 272 N N 5.233 123.557 118.700 -0.628 0.000 1.935 272 N HA -0.136 4.603 4.740 -0.001 0.000 0.304 272 N C -1.041 174.098 175.510 -0.618 0.000 1.286 272 N CA -0.199 52.267 53.050 -0.974 0.000 0.798 272 N CB 0.348 38.547 38.487 -0.480 0.000 1.028 272 N HN 0.330 nan 8.380 nan 0.000 0.494 273 P HA 0.103 nan 4.420 nan 0.000 0.245 273 P C 0.241 177.442 177.300 -0.164 0.000 1.206 273 P CA 0.410 63.325 63.100 -0.309 0.000 0.781 273 P CB 0.092 31.673 31.700 -0.199 0.000 0.994 274 G N -0.130 108.570 108.800 -0.167 0.000 2.351 274 G HA2 0.101 4.061 3.960 -0.001 0.000 0.297 274 G HA3 0.101 4.061 3.960 -0.001 0.000 0.297 274 G C 0.296 175.196 174.900 0.000 0.000 1.054 274 G CA -0.135 44.932 45.100 -0.055 0.000 1.123 274 G HN 0.760 nan 8.290 nan 0.000 0.512 275 G N -0.922 107.909 108.800 0.050 0.000 2.088 275 G HA2 0.581 4.541 3.960 -0.001 0.000 0.222 275 G HA3 0.581 4.541 3.960 -0.001 0.000 0.222 275 G C -1.237 173.770 174.900 0.179 0.000 1.690 275 G CA 0.027 45.176 45.100 0.081 0.000 0.923 275 G HN 1.820 nan 8.290 nan 0.000 0.730 276 Y N 1.874 122.173 120.300 -0.002 0.000 2.362 276 Y HA 0.760 5.309 4.550 -0.001 0.000 0.326 276 Y C -0.953 174.838 175.900 -0.183 0.000 1.083 276 Y CA -1.109 56.963 58.100 -0.048 0.000 1.073 276 Y CB 2.653 41.233 38.460 0.201 0.000 1.211 276 Y HN 0.741 nan 8.280 nan 0.000 0.433 277 Q N 3.697 122.911 119.800 -0.976 0.000 2.285 277 Q HA 0.619 4.958 4.340 -0.001 0.000 0.269 277 Q C -1.544 173.793 176.000 -1.105 0.000 1.030 277 Q CA -0.595 54.593 55.803 -1.025 0.000 0.788 277 Q CB 1.961 30.147 28.738 -0.920 0.000 1.266 277 Q HN 0.674 nan 8.270 nan 0.000 0.438 278 S N 2.975 118.075 115.700 -1.000 0.000 2.501 278 S HA 0.890 5.359 4.470 -0.001 0.000 0.301 278 S C -0.832 173.515 174.600 -0.422 0.000 1.096 278 S CA -0.455 57.347 58.200 -0.663 0.000 1.063 278 S CB 0.808 63.766 63.200 -0.404 0.000 1.042 278 S HN 0.627 nan 8.310 nan 0.000 0.494 279 Y N 0.445 120.611 120.300 -0.225 0.000 2.715 279 Y HA 0.877 5.427 4.550 -0.001 0.000 0.331 279 Y C -1.513 174.390 175.900 0.004 0.000 1.197 279 Y CA -1.827 56.278 58.100 0.008 0.000 1.079 279 Y CB 0.891 39.373 38.460 0.037 0.000 1.298 279 Y HN 0.731 nan 8.280 nan 0.000 0.477 280 L N 2.088 123.504 121.223 0.323 0.000 2.470 280 L HA 0.688 5.028 4.340 -0.001 0.000 0.268 280 L C -1.996 175.029 176.870 0.258 0.000 0.964 280 L CA -1.214 53.617 54.840 -0.014 0.000 0.839 280 L CB 1.736 43.626 42.059 -0.282 0.000 1.276 280 L HN 0.758 nan 8.230 nan 0.000 0.403 281 I N 4.206 124.866 120.570 0.150 0.000 2.418 281 I HA 0.404 4.573 4.170 -0.001 0.000 0.287 281 I C -0.190 175.912 176.117 -0.026 0.000 1.008 281 I CA -0.499 60.820 61.300 0.031 0.000 1.104 281 I CB 2.241 40.169 38.000 -0.119 0.000 1.264 281 I HN 0.764 nan 8.210 nan 0.000 0.438 282 T N 5.199 119.736 114.554 -0.029 0.000 2.829 282 T HA 0.715 5.064 4.350 -0.001 0.000 0.282 282 T C -0.520 174.177 174.700 -0.004 0.000 0.990 282 T CA -0.737 61.369 62.100 0.010 0.000 1.028 282 T CB 1.226 70.124 68.868 0.049 0.000 0.951 282 T HN 0.334 nan 8.240 nan 0.000 0.460 283 L N 4.411 125.671 121.223 0.060 0.000 2.305 283 L HA 0.406 4.745 4.340 -0.001 0.000 0.284 283 L C -1.764 175.151 176.870 0.075 0.000 1.013 283 L CA -2.491 52.399 54.840 0.083 0.000 0.819 283 L CB 1.828 43.982 42.059 0.158 0.000 1.227 283 L HN 0.386 nan 8.230 nan 0.000 0.417 284 P HA -0.056 nan 4.420 nan 0.000 0.215 284 P C -0.174 177.148 177.300 0.037 0.000 1.157 284 P CA 1.184 64.300 63.100 0.027 0.000 0.856 284 P CB 0.219 31.928 31.700 0.015 0.000 0.786 285 K N 0.225 120.664 120.400 0.066 0.000 2.098 285 K HA 0.101 4.421 4.320 -0.001 0.000 0.261 285 K C 0.616 177.309 176.600 0.155 0.000 0.987 285 K CA -0.428 55.906 56.287 0.079 0.000 0.916 285 K CB 0.455 32.998 32.500 0.072 0.000 1.039 285 K HN -0.169 nan 8.250 nan 0.000 0.455 286 D N 1.385 121.859 120.400 0.123 0.000 2.228 286 D HA -0.118 4.521 4.640 -0.001 0.000 0.203 286 D C 1.200 177.744 176.300 0.406 0.000 0.988 286 D CA 1.431 55.560 54.000 0.214 0.000 0.864 286 D CB 0.056 40.948 40.800 0.154 0.000 0.928 286 D HN 0.774 nan 8.370 nan 0.000 0.469 287 G N -1.080 107.869 108.800 0.247 0.000 3.284 287 G HA2 -0.031 3.928 3.960 -0.001 0.000 0.236 287 G HA3 -0.031 3.928 3.960 -0.001 0.000 0.236 287 G C 0.915 175.865 174.900 0.084 0.000 1.158 287 G CA -0.189 45.014 45.100 0.171 0.000 0.774 287 G HN 0.098 nan 8.290 nan 0.000 0.545 288 D N 0.298 120.772 120.400 0.124 0.000 2.317 288 D HA -0.044 4.596 4.640 -0.001 0.000 0.211 288 D C 2.375 178.620 176.300 -0.092 0.000 0.966 288 D CA -0.037 53.987 54.000 0.040 0.000 0.876 288 D CB 0.269 41.124 40.800 0.092 0.000 0.927 288 D HN 0.296 nan 8.370 nan 0.000 0.519 289 L N 1.604 122.675 121.223 -0.253 0.000 2.021 289 L HA -0.272 4.068 4.340 -0.001 0.000 0.215 289 L C 2.131 178.744 176.870 -0.428 0.000 1.074 289 L CA 1.975 56.421 54.840 -0.657 0.000 0.760 289 L CB -0.428 40.894 42.059 -1.227 0.000 0.889 289 L HN -0.157 nan 8.230 nan 0.000 0.433 290 K N -0.547 119.691 120.400 -0.270 0.000 2.009 290 K HA -0.293 4.027 4.320 -0.001 0.000 0.210 290 K C 2.256 178.742 176.600 -0.190 0.000 1.049 290 K CA 2.180 58.345 56.287 -0.203 0.000 0.929 290 K CB -0.564 31.869 32.500 -0.112 0.000 0.714 290 K HN 0.459 nan 8.250 nan 0.000 0.440 291 Q N -0.048 119.655 119.800 -0.160 0.000 2.079 291 Q HA 0.026 4.366 4.340 -0.001 0.000 0.200 291 Q C 1.893 177.749 176.000 -0.239 0.000 0.974 291 Q CA 1.955 57.655 55.803 -0.171 0.000 0.840 291 Q CB -0.560 28.097 28.738 -0.135 0.000 0.898 291 Q HN 0.432 nan 8.270 nan 0.000 0.430 292 A N -0.413 122.272 122.820 -0.225 0.000 1.859 292 A HA -0.197 4.122 4.320 -0.001 0.000 0.217 292 A C 2.259 179.670 177.584 -0.289 0.000 1.198 292 A CA 2.034 53.926 52.037 -0.243 0.000 0.629 292 A CB -1.166 17.780 19.000 -0.090 0.000 0.830 292 A HN 0.281 nan 8.150 nan 0.000 0.446 293 V N 0.907 120.650 119.914 -0.284 0.000 2.392 293 V HA -0.265 3.854 4.120 -0.001 0.000 0.249 293 V C 2.085 178.049 176.094 -0.216 0.000 1.059 293 V CA 2.247 64.392 62.300 -0.259 0.000 1.051 293 V CB -0.953 30.663 31.823 -0.345 0.000 0.658 293 V HN 0.527 nan 8.190 nan 0.000 0.455 294 D N -0.044 120.228 120.400 -0.213 0.000 2.178 294 D HA -0.122 4.518 4.640 -0.001 0.000 0.201 294 D C 2.072 178.250 176.300 -0.203 0.000 0.980 294 D CA 1.277 55.172 54.000 -0.176 0.000 0.842 294 D CB -0.077 40.632 40.800 -0.151 0.000 0.948 294 D HN 0.426 nan 8.370 nan 0.000 0.472 295 I N 0.778 121.166 120.570 -0.304 0.000 2.163 295 I HA -0.228 3.942 4.170 -0.001 0.000 0.240 295 I C 2.479 178.409 176.117 -0.311 0.000 1.081 295 I CA 0.735 61.788 61.300 -0.412 0.000 1.353 295 I CB -0.113 37.402 38.000 -0.808 0.000 1.054 295 I HN -0.092 nan 8.210 nan 0.000 0.407 296 I N 0.181 120.593 120.570 -0.263 0.000 2.248 296 I HA -0.357 3.813 4.170 -0.001 0.000 0.248 296 I C 2.722 178.834 176.117 -0.008 0.000 1.107 296 I CA 1.189 62.452 61.300 -0.061 0.000 1.373 296 I CB -0.447 37.562 38.000 0.014 0.000 1.055 296 I HN 0.215 nan 8.210 nan 0.000 0.418 297 R N 1.076 121.551 120.500 -0.042 0.000 2.179 297 R HA -0.227 4.112 4.340 -0.001 0.000 0.238 297 R C -0.425 175.875 176.300 -0.000 0.000 1.119 297 R CA 2.916 59.005 56.100 -0.018 0.000 0.915 297 R CB -1.567 28.707 30.300 -0.043 0.000 0.870 297 R HN 0.248 nan 8.270 nan 0.000 0.432 298 P HA -0.141 nan 4.420 nan 0.000 0.218 298 P C 1.323 178.634 177.300 0.019 0.000 1.149 298 P CA 1.458 64.553 63.100 -0.008 0.000 0.817 298 P CB -0.110 31.571 31.700 -0.031 0.000 0.785 299 L N -1.275 119.965 121.223 0.029 0.000 2.313 299 L HA 0.023 4.362 4.340 -0.001 0.000 0.214 299 L C 2.938 179.881 176.870 0.122 0.000 1.119 299 L CA 0.716 55.603 54.840 0.079 0.000 0.809 299 L CB -0.509 41.617 42.059 0.112 0.000 0.933 299 L HN -0.077 nan 8.230 nan 0.000 0.449 300 R N 0.047 120.615 120.500 0.114 0.000 2.066 300 R HA -0.043 4.297 4.340 -0.001 0.000 0.224 300 R C 2.013 178.373 176.300 0.099 0.000 1.122 300 R CA 1.052 57.232 56.100 0.133 0.000 0.974 300 R CB -0.304 30.075 30.300 0.133 0.000 0.871 300 R HN 0.049 nan 8.270 nan 0.000 0.435 301 L N 0.070 121.336 121.223 0.071 0.000 2.275 301 L HA 0.154 4.494 4.340 -0.001 0.000 0.215 301 L C 1.577 178.481 176.870 0.056 0.000 1.119 301 L CA 1.980 56.854 54.840 0.057 0.000 0.790 301 L CB -0.943 41.140 42.059 0.039 0.000 0.919 301 L HN 0.443 nan 8.230 nan 0.000 0.443 302 G N -2.476 106.360 108.800 0.060 0.000 3.284 302 G HA2 0.127 4.087 3.960 -0.001 0.000 0.236 302 G HA3 0.127 4.087 3.960 -0.001 0.000 0.236 302 G C 0.838 175.779 174.900 0.069 0.000 1.158 302 G CA -0.208 44.925 45.100 0.055 0.000 0.774 302 G HN 0.286 nan 8.290 nan 0.000 0.545 303 M N -0.644 119.010 119.600 0.089 0.000 2.353 303 M HA -0.242 4.237 4.480 -0.001 0.000 0.202 303 M C 1.386 177.760 176.300 0.124 0.000 0.434 303 M CA 0.462 55.825 55.300 0.105 0.000 0.477 303 M CB -1.086 31.563 32.600 0.082 0.000 1.592 303 M HN 0.331 nan 8.290 nan 0.000 0.895 304 A N -0.689 122.217 122.820 0.144 0.000 2.108 304 A HA 0.444 4.764 4.320 -0.001 0.000 0.206 304 A C 0.670 178.397 177.584 0.239 0.000 1.212 304 A CA 0.167 52.302 52.037 0.164 0.000 0.843 304 A CB 0.607 19.693 19.000 0.143 0.000 0.902 304 A HN 0.454 nan 8.150 nan 0.000 0.477 305 L N 1.355 122.731 121.223 0.255 0.000 2.314 305 L HA 0.211 4.550 4.340 -0.001 0.000 0.275 305 L C 1.070 178.105 176.870 0.274 0.000 1.068 305 L CA -0.334 54.698 54.840 0.320 0.000 0.894 305 L CB 1.121 43.388 42.059 0.346 0.000 1.275 305 L HN 0.446 nan 8.230 nan 0.000 0.432 306 Q N 1.291 121.282 119.800 0.317 0.000 1.993 306 Q HA -0.142 4.198 4.340 -0.001 0.000 0.202 306 Q C 0.940 177.096 176.000 0.260 0.000 0.984 306 Q CA 1.540 57.529 55.803 0.311 0.000 0.837 306 Q CB 0.105 29.142 28.738 0.499 0.000 0.902 306 Q HN 0.754 nan 8.270 nan 0.000 0.423 307 N N -0.535 118.366 118.700 0.336 0.000 2.669 307 N HA 0.098 4.838 4.740 -0.001 0.000 0.306 307 N C -0.404 175.222 175.510 0.193 0.000 1.352 307 N CA -0.397 52.801 53.050 0.248 0.000 0.886 307 N CB 0.053 38.781 38.487 0.402 0.000 1.107 307 N HN -0.124 nan 8.380 nan 0.000 0.534 308 V N 2.158 122.175 119.914 0.171 0.000 2.304 308 V HA 0.336 4.456 4.120 -0.001 0.000 0.269 308 V C -2.064 174.145 176.094 0.192 0.000 1.036 308 V CA -1.284 61.102 62.300 0.144 0.000 0.840 308 V CB 0.575 32.427 31.823 0.048 0.000 1.036 308 V HN 0.626 nan 8.190 nan 0.000 0.466 309 P HA 0.291 nan 4.420 nan 0.000 0.274 309 P C -0.322 176.976 177.300 -0.003 0.000 1.231 309 P CA -0.014 63.071 63.100 -0.025 0.000 0.790 309 P CB 1.041 32.743 31.700 0.003 0.000 0.951 310 T N -0.902 113.564 114.554 -0.147 0.000 2.887 310 T HA 0.683 5.033 4.350 -0.001 0.000 0.288 310 T C 0.012 174.770 174.700 0.096 0.000 1.021 310 T CA -0.791 61.302 62.100 -0.012 0.000 1.000 310 T CB 0.820 69.605 68.868 -0.138 0.000 1.034 310 T HN 0.200 nan 8.240 nan 0.000 0.467 311 I N 2.507 123.236 120.570 0.265 0.000 2.371 311 I HA 0.378 4.547 4.170 -0.001 0.000 0.282 311 I C 0.454 176.831 176.117 0.435 0.000 1.031 311 I CA -0.757 60.784 61.300 0.402 0.000 1.180 311 I CB 0.837 39.042 38.000 0.342 0.000 1.336 311 I HN 0.416 nan 8.210 nan 0.000 0.467 312 R N 3.557 124.300 120.500 0.405 0.000 2.536 312 R HA 0.405 4.745 4.340 -0.001 0.000 0.279 312 R C -0.128 176.410 176.300 0.395 0.000 1.001 312 R CA -0.873 55.414 56.100 0.311 0.000 1.027 312 R CB 1.427 31.773 30.300 0.077 0.000 1.096 312 R HN 0.502 nan 8.270 nan 0.000 0.502 313 H N 2.190 121.330 119.070 0.116 0.000 2.511 313 H HA 0.033 4.588 4.556 -0.001 0.000 0.346 313 H C 1.050 176.226 175.328 -0.253 0.000 1.128 313 H CA -0.292 55.592 56.048 -0.273 0.000 1.342 313 H CB 1.291 30.889 29.762 -0.274 0.000 1.470 313 H HN 0.530 nan 8.280 nan 0.000 0.546 314 I N 4.344 124.500 120.570 -0.689 0.000 2.194 314 I HA -0.289 3.881 4.170 -0.001 0.000 0.246 314 I C 2.076 178.038 176.117 -0.259 0.000 1.093 314 I CA 1.366 62.424 61.300 -0.404 0.000 1.355 314 I CB -0.517 37.213 38.000 -0.451 0.000 1.046 314 I HN 0.713 nan 8.210 nan 0.000 0.413 315 L N -0.743 120.407 121.223 -0.122 0.000 2.362 315 L HA -0.167 4.173 4.340 -0.001 0.000 0.219 315 L C 2.277 178.873 176.870 -0.456 0.000 1.134 315 L CA 0.385 55.017 54.840 -0.346 0.000 0.807 315 L CB -0.582 41.206 42.059 -0.451 0.000 0.927 315 L HN 0.363 nan 8.230 nan 0.000 0.447 316 L N 0.035 121.055 121.223 -0.339 0.000 1.988 316 L HA -0.185 4.154 4.340 -0.001 0.000 0.207 316 L C 2.021 178.725 176.870 -0.277 0.000 1.071 316 L CA 1.941 56.526 54.840 -0.424 0.000 0.744 316 L CB -0.688 41.127 42.059 -0.407 0.000 0.893 316 L HN 0.157 nan 8.230 nan 0.000 0.433 317 D N -0.049 120.238 120.400 -0.188 0.000 2.149 317 D HA -0.163 4.476 4.640 -0.001 0.000 0.198 317 D C 2.173 178.438 176.300 -0.059 0.000 0.990 317 D CA 1.445 55.386 54.000 -0.100 0.000 0.839 317 D CB -0.227 40.547 40.800 -0.044 0.000 0.948 317 D HN 0.499 nan 8.370 nan 0.000 0.460 318 A N 1.100 123.836 122.820 -0.140 0.000 1.877 318 A HA -0.076 4.243 4.320 -0.001 0.000 0.216 318 A C 2.347 180.005 177.584 0.124 0.000 1.186 318 A CA 2.339 54.295 52.037 -0.135 0.000 0.620 318 A CB -0.805 17.912 19.000 -0.471 0.000 0.822 318 A HN 0.243 nan 8.150 nan 0.000 0.443 319 A N -0.612 122.205 122.820 -0.005 0.000 1.933 319 A HA -0.009 4.310 4.320 -0.001 0.000 0.218 319 A C 2.217 179.983 177.584 0.303 0.000 1.175 319 A CA 1.770 53.950 52.037 0.239 0.000 0.628 319 A CB -0.974 18.000 19.000 -0.044 0.000 0.814 319 A HN 0.412 nan 8.150 nan 0.000 0.444 320 V N -0.049 119.972 119.914 0.178 0.000 2.332 320 V HA -0.268 3.851 4.120 -0.001 0.000 0.248 320 V C 2.463 178.651 176.094 0.156 0.000 1.055 320 V CA 2.130 64.525 62.300 0.159 0.000 1.038 320 V CB -0.664 31.197 31.823 0.065 0.000 0.651 320 V HN 0.582 nan 8.190 nan 0.000 0.450 321 L N -0.963 120.370 121.223 0.184 0.000 2.270 321 L HA 0.360 4.699 4.340 -0.001 0.000 0.210 321 L C 1.017 178.014 176.870 0.212 0.000 1.104 321 L CA 0.883 55.832 54.840 0.183 0.000 0.804 321 L CB -0.241 41.936 42.059 0.197 0.000 0.937 321 L HN 0.466 nan 8.230 nan 0.000 0.450 322 G N -0.893 108.119 108.800 0.355 0.000 2.673 322 G HA2 0.307 4.266 3.960 -0.001 0.000 0.292 322 G HA3 0.307 4.266 3.960 -0.001 0.000 0.292 322 G C -1.674 173.481 174.900 0.425 0.000 1.450 322 G CA -0.519 44.736 45.100 0.258 0.000 0.837 322 G HN -0.052 nan 8.290 nan 0.000 0.505 323 D N -0.224 120.283 120.400 0.178 0.000 2.356 323 D HA 0.099 4.739 4.640 -0.001 0.000 0.258 323 D C 1.070 177.247 176.300 -0.206 0.000 1.279 323 D CA -0.391 53.654 54.000 0.075 0.000 1.016 323 D CB 1.159 41.935 40.800 -0.040 0.000 1.107 323 D HN 0.434 nan 8.370 nan 0.000 0.544 324 K N -0.709 119.218 120.400 -0.790 0.000 2.186 324 K HA -0.044 4.276 4.320 -0.001 0.000 0.202 324 K C 2.230 178.608 176.600 -0.370 0.000 1.052 324 K CA 0.145 55.801 56.287 -1.050 0.000 0.965 324 K CB 0.052 31.590 32.500 -1.603 0.000 0.746 324 K HN 0.452 nan 8.250 nan 0.000 0.457 325 R N 0.476 120.814 120.500 -0.270 0.000 2.152 325 R HA -0.063 4.277 4.340 -0.001 0.000 0.232 325 R C 1.923 178.149 176.300 -0.124 0.000 1.117 325 R CA 1.643 57.653 56.100 -0.151 0.000 0.981 325 R CB -0.631 29.596 30.300 -0.122 0.000 0.870 325 R HN 0.110 nan 8.270 nan 0.000 0.451 326 S N -0.521 115.080 115.700 -0.166 0.000 2.515 326 S HA -0.082 4.387 4.470 -0.001 0.000 0.231 326 S C 0.850 175.233 174.600 -0.361 0.000 0.987 326 S CA 0.287 58.334 58.200 -0.255 0.000 0.936 326 S CB -0.199 62.810 63.200 -0.318 0.000 0.766 326 S HN 0.565 nan 8.310 nan 0.000 0.528 327 Y N 0.207 120.486 120.300 -0.035 0.000 2.432 327 Y HA 0.556 5.106 4.550 -0.001 0.000 0.252 327 Y C 0.967 176.870 175.900 0.006 0.000 1.097 327 Y CA -0.260 57.851 58.100 0.018 0.000 1.250 327 Y CB 0.835 39.354 38.460 0.098 0.000 1.245 327 Y HN 0.326 nan 8.280 nan 0.000 0.522 328 S N -1.961 113.792 115.700 0.089 0.000 2.611 328 S HA 0.350 4.819 4.470 -0.001 0.000 0.270 328 S C 0.137 174.736 174.600 -0.001 0.000 1.131 328 S CA -0.394 57.838 58.200 0.054 0.000 0.826 328 S CB 1.046 64.294 63.200 0.081 0.000 1.095 328 S HN -0.116 nan 8.310 nan 0.000 0.461 329 S N 0.452 116.154 115.700 0.003 0.000 2.502 329 S HA 0.256 4.726 4.470 -0.001 0.000 0.215 329 S C 0.388 174.983 174.600 -0.007 0.000 1.009 329 S CA -0.129 58.063 58.200 -0.012 0.000 0.908 329 S CB 0.048 63.244 63.200 -0.007 0.000 0.801 329 S HN 0.561 nan 8.310 nan 0.000 0.505 330 R N 1.282 121.787 120.500 0.009 0.000 2.537 330 R HA 0.032 4.371 4.340 -0.001 0.000 0.281 330 R C 0.867 177.173 176.300 0.010 0.000 0.988 330 R CA 0.318 56.429 56.100 0.017 0.000 1.077 330 R CB 0.163 30.485 30.300 0.036 0.000 0.932 330 R HN 0.042 nan 8.270 nan 0.000 0.409 331 T N 1.598 116.159 114.554 0.013 0.000 3.051 331 T HA -0.004 4.346 4.350 -0.001 0.000 0.255 331 T C 0.547 175.267 174.700 0.035 0.000 1.085 331 T CA 0.660 62.767 62.100 0.012 0.000 1.109 331 T CB 0.257 69.130 68.868 0.009 0.000 0.921 331 T HN 0.394 nan 8.240 nan 0.000 0.488 332 E N 1.911 122.136 120.200 0.043 0.000 2.385 332 E HA 0.242 4.591 4.350 -0.001 0.000 0.254 332 E C -2.460 174.190 176.600 0.083 0.000 1.228 332 E CA -2.059 54.377 56.400 0.059 0.000 0.956 332 E CB 0.153 29.883 29.700 0.049 0.000 1.116 332 E HN 0.125 nan 8.360 nan 0.000 0.507 333 P HA 0.109 nan 4.420 nan 0.000 0.276 333 P C 0.007 177.382 177.300 0.124 0.000 1.243 333 P CA 0.088 63.267 63.100 0.131 0.000 0.768 333 P CB 0.284 32.059 31.700 0.125 0.000 0.856 334 L N 2.089 123.405 121.223 0.155 0.000 2.573 334 L HA -0.044 4.296 4.340 -0.001 0.000 0.290 334 L C 1.605 178.542 176.870 0.112 0.000 1.247 334 L CA 0.461 55.383 54.840 0.137 0.000 0.876 334 L CB -0.317 41.849 42.059 0.179 0.000 1.123 334 L HN 0.524 nan 8.230 nan 0.000 0.505 335 S N 0.362 116.115 115.700 0.088 0.000 2.686 335 S HA 0.147 4.616 4.470 -0.001 0.000 0.270 335 S C 0.551 175.193 174.600 0.070 0.000 1.194 335 S CA -0.679 57.565 58.200 0.073 0.000 0.990 335 S CB 1.349 64.584 63.200 0.058 0.000 1.029 335 S HN 0.631 nan 8.310 nan 0.000 0.560 336 D N 0.591 121.027 120.400 0.060 0.000 2.144 336 D HA -0.034 4.605 4.640 -0.001 0.000 0.199 336 D C 1.816 178.140 176.300 0.039 0.000 0.984 336 D CA 1.503 55.535 54.000 0.053 0.000 0.834 336 D CB -0.220 40.609 40.800 0.050 0.000 0.955 336 D HN 0.688 nan 8.370 nan 0.000 0.465 337 E N 0.518 120.741 120.200 0.040 0.000 2.017 337 E HA -0.160 4.189 4.350 -0.001 0.000 0.193 337 E C 2.048 178.669 176.600 0.035 0.000 0.997 337 E CA 1.097 57.518 56.400 0.034 0.000 0.804 337 E CB -0.179 29.542 29.700 0.035 0.000 0.757 337 E HN 0.367 nan 8.360 nan 0.000 0.448 338 E N 0.482 120.710 120.200 0.047 0.000 2.097 338 E HA -0.214 4.136 4.350 -0.001 0.000 0.196 338 E C 2.110 178.735 176.600 0.041 0.000 1.000 338 E CA 1.014 57.448 56.400 0.055 0.000 0.804 338 E CB -0.210 29.535 29.700 0.075 0.000 0.740 338 E HN 0.196 nan 8.360 nan 0.000 0.454 339 L N 1.110 122.351 121.223 0.029 0.000 1.976 339 L HA -0.237 4.103 4.340 -0.001 0.000 0.209 339 L C 2.144 178.990 176.870 -0.041 0.000 1.071 339 L CA 1.194 56.025 54.840 -0.015 0.000 0.746 339 L CB -0.584 41.468 42.059 -0.012 0.000 0.890 339 L HN 0.107 nan 8.230 nan 0.000 0.432 340 D N 0.504 120.889 120.400 -0.024 0.000 2.154 340 D HA -0.233 4.407 4.640 -0.001 0.000 0.190 340 D C 2.138 178.434 176.300 -0.007 0.000 1.003 340 D CA 1.566 55.553 54.000 -0.020 0.000 0.849 340 D CB -0.208 40.593 40.800 0.001 0.000 0.942 340 D HN 0.337 nan 8.370 nan 0.000 0.446 341 K N 0.260 120.668 120.400 0.014 0.000 2.032 341 K HA -0.112 4.208 4.320 -0.001 0.000 0.209 341 K C 2.408 179.031 176.600 0.038 0.000 1.048 341 K CA 0.894 57.199 56.287 0.031 0.000 0.927 341 K CB -0.183 32.345 32.500 0.047 0.000 0.712 341 K HN 0.259 nan 8.250 nan 0.000 0.441 342 I N 1.198 121.785 120.570 0.028 0.000 2.226 342 I HA -0.276 3.894 4.170 -0.001 0.000 0.245 342 I C 2.654 178.766 176.117 -0.008 0.000 1.100 342 I CA 1.158 62.471 61.300 0.021 0.000 1.374 342 I CB -0.843 37.107 38.000 -0.083 0.000 1.057 342 I HN 0.134 nan 8.210 nan 0.000 0.413 343 A N 2.244 125.036 122.820 -0.046 0.000 1.903 343 A HA -0.308 4.012 4.320 -0.001 0.000 0.219 343 A C 2.460 180.036 177.584 -0.014 0.000 1.191 343 A CA 2.671 54.677 52.037 -0.052 0.000 0.638 343 A CB -0.785 18.174 19.000 -0.069 0.000 0.823 343 A HN 0.578 nan 8.150 nan 0.000 0.451 344 K N -0.351 120.051 120.400 0.004 0.000 2.002 344 K HA -0.283 4.037 4.320 -0.001 0.000 0.209 344 K C 2.219 178.837 176.600 0.030 0.000 1.048 344 K CA 1.861 58.159 56.287 0.019 0.000 0.930 344 K CB -0.575 31.939 32.500 0.023 0.000 0.714 344 K HN 0.560 nan 8.250 nan 0.000 0.438 345 Q N 0.698 120.525 119.800 0.045 0.000 2.133 345 Q HA -0.169 4.170 4.340 -0.001 0.000 0.208 345 Q C 1.991 178.028 176.000 0.063 0.000 0.991 345 Q CA 2.031 57.874 55.803 0.066 0.000 0.867 345 Q CB -0.105 28.700 28.738 0.112 0.000 0.911 345 Q HN 0.536 nan 8.270 nan 0.000 0.417 346 L N -0.042 121.213 121.223 0.053 0.000 2.592 346 L HA 0.079 4.419 4.340 -0.001 0.000 0.227 346 L C 0.284 177.145 176.870 -0.016 0.000 1.127 346 L CA -0.081 54.778 54.840 0.032 0.000 0.884 346 L CB 0.063 42.141 42.059 0.031 0.000 1.065 346 L HN 0.315 nan 8.230 nan 0.000 0.457 347 N N 0.172 118.866 118.700 -0.010 0.000 2.782 347 N HA -0.164 4.575 4.740 -0.001 0.000 0.251 347 N C -0.203 175.260 175.510 -0.077 0.000 1.101 347 N CA 0.791 53.828 53.050 -0.021 0.000 0.764 347 N CB -1.202 37.270 38.487 -0.025 0.000 1.122 347 N HN 0.263 nan 8.380 nan 0.000 0.561 348 L N -0.433 120.750 121.223 -0.067 0.000 2.335 348 L HA 0.706 5.046 4.340 -0.001 0.000 0.268 348 L C 1.605 178.448 176.870 -0.046 0.000 1.016 348 L CA -0.525 54.266 54.840 -0.083 0.000 0.805 348 L CB 1.043 43.056 42.059 -0.075 0.000 1.311 348 L HN 0.031 nan 8.230 nan 0.000 0.456 349 G N -0.630 108.148 108.800 -0.037 0.000 2.543 349 G HA2 0.258 4.218 3.960 -0.001 0.000 0.290 349 G HA3 0.258 4.218 3.960 -0.001 0.000 0.290 349 G C 0.328 175.174 174.900 -0.090 0.000 1.310 349 G CA -0.304 44.783 45.100 -0.022 0.000 1.025 349 G HN 0.545 nan 8.290 nan 0.000 0.502 350 R N -1.583 118.853 120.500 -0.108 0.000 2.127 350 R HA 0.119 4.458 4.340 -0.001 0.000 0.217 350 R C -0.299 175.675 176.300 -0.544 0.000 1.074 350 R CA 0.337 56.253 56.100 -0.307 0.000 0.991 350 R CB -0.042 30.126 30.300 -0.220 0.000 0.895 350 R HN 0.539 nan 8.270 nan 0.000 0.450 351 W N -0.677 120.567 121.300 -0.093 0.000 2.844 351 W HA 0.457 5.117 4.660 -0.001 0.000 0.340 351 W C -1.001 175.536 176.519 0.029 0.000 1.093 351 W CA -0.969 56.358 57.345 -0.030 0.000 1.212 351 W CB 1.636 31.093 29.460 -0.005 0.000 1.422 351 W HN -0.153 nan 8.180 nan 0.000 0.515 352 N N 2.181 121.118 118.700 0.395 0.000 2.500 352 N HA 0.298 5.037 4.740 -0.001 0.000 0.291 352 N C -1.721 174.011 175.510 0.370 0.000 1.092 352 N CA -0.631 52.590 53.050 0.286 0.000 0.890 352 N CB 1.487 40.134 38.487 0.267 0.000 1.466 352 N HN 0.232 nan 8.380 nan 0.000 0.507 353 F N 3.212 123.205 119.950 0.071 0.000 2.410 353 F HA 0.456 4.983 4.527 -0.001 0.000 0.348 353 F C -1.093 174.683 175.800 -0.041 0.000 1.106 353 F CA -0.260 57.791 58.000 0.084 0.000 1.163 353 F CB 0.314 39.306 39.000 -0.013 0.000 1.129 353 F HN 0.385 nan 8.300 nan 0.000 0.516 354 Y N 3.933 123.874 120.300 -0.598 0.000 2.391 354 Y HA 0.671 5.221 4.550 -0.001 0.000 0.341 354 Y C 0.406 175.812 175.900 -0.825 0.000 0.965 354 Y CA -0.632 57.146 58.100 -0.537 0.000 1.067 354 Y CB 1.834 40.081 38.460 -0.355 0.000 1.199 354 Y HN 0.759 nan 8.280 nan 0.000 0.450 355 G N 0.511 108.781 108.800 -0.884 0.000 2.846 355 G HA2 0.879 4.838 3.960 -0.001 0.000 0.299 355 G HA3 0.879 4.838 3.960 -0.001 0.000 0.299 355 G C -1.728 172.672 174.900 -0.834 0.000 1.242 355 G CA -0.400 44.249 45.100 -0.752 0.000 0.800 355 G HN 0.932 nan 8.290 nan 0.000 0.538 356 A N -1.412 121.181 122.820 -0.379 0.000 2.567 356 A HA 0.646 4.965 4.320 -0.001 0.000 0.291 356 A C -1.909 175.608 177.584 -0.112 0.000 1.048 356 A CA -0.564 51.266 52.037 -0.346 0.000 0.661 356 A CB 0.540 19.316 19.000 -0.374 0.000 1.288 356 A HN 0.945 nan 8.150 nan 0.000 0.424 357 L N 0.978 122.014 121.223 -0.312 0.000 2.322 357 L HA 0.641 4.981 4.340 -0.001 0.000 0.281 357 L C -1.406 175.248 176.870 -0.359 0.000 1.014 357 L CA -0.513 54.229 54.840 -0.163 0.000 0.815 357 L CB 1.413 43.374 42.059 -0.164 0.000 1.247 357 L HN 0.719 nan 8.230 nan 0.000 0.421 358 Y N 1.428 121.815 120.300 0.146 0.000 2.376 358 Y HA 0.774 5.324 4.550 -0.001 0.000 0.340 358 Y C 0.714 176.653 175.900 0.065 0.000 0.965 358 Y CA -0.453 57.731 58.100 0.141 0.000 1.078 358 Y CB 2.194 40.741 38.460 0.145 0.000 1.193 358 Y HN 0.758 nan 8.280 nan 0.000 0.452 359 G N 3.018 111.914 108.800 0.160 0.000 2.384 359 G HA2 -0.053 3.907 3.960 -0.001 0.000 0.668 359 G HA3 -0.053 3.907 3.960 -0.001 0.000 0.668 359 G C -3.287 171.639 174.900 0.044 0.000 1.280 359 G CA -1.537 43.610 45.100 0.077 0.000 0.992 359 G HN 0.392 nan 8.290 nan 0.000 0.512 360 P HA 0.117 nan 4.420 nan 0.000 0.264 360 P C 0.900 178.212 177.300 0.021 0.000 1.183 360 P CA 0.247 63.358 63.100 0.018 0.000 0.763 360 P CB 0.996 32.704 31.700 0.013 0.000 0.807 361 E N 4.685 124.892 120.200 0.013 0.000 2.086 361 E HA -0.210 4.140 4.350 -0.001 0.000 0.205 361 E C -0.943 175.671 176.600 0.023 0.000 1.027 361 E CA 2.410 58.816 56.400 0.010 0.000 0.830 361 E CB -1.840 27.864 29.700 0.006 0.000 0.751 361 E HN 0.334 nan 8.360 nan 0.000 0.456 362 P HA -0.165 nan 4.420 nan 0.000 0.216 362 P C 1.665 178.988 177.300 0.037 0.000 1.154 362 P CA 1.537 64.654 63.100 0.028 0.000 0.865 362 P CB -0.182 31.530 31.700 0.021 0.000 0.789 363 I N -1.741 118.854 120.570 0.040 0.000 2.333 363 I HA -0.124 4.046 4.170 -0.001 0.000 0.246 363 I C 2.633 178.792 176.117 0.071 0.000 1.106 363 I CA 0.866 62.199 61.300 0.054 0.000 1.411 363 I CB -0.410 37.623 38.000 0.055 0.000 1.082 363 I HN -0.163 nan 8.210 nan 0.000 0.420 364 R N 0.687 121.224 120.500 0.062 0.000 2.112 364 R HA -0.232 4.107 4.340 -0.001 0.000 0.242 364 R C 2.501 178.869 176.300 0.112 0.000 1.137 364 R CA 1.811 57.950 56.100 0.065 0.000 0.944 364 R CB -0.408 29.890 30.300 -0.004 0.000 0.857 364 R HN 0.260 nan 8.270 nan 0.000 0.435 365 R N 0.257 120.814 120.500 0.096 0.000 2.112 365 R HA -0.191 4.148 4.340 -0.001 0.000 0.242 365 R C 2.202 178.576 176.300 0.124 0.000 1.137 365 R CA 2.141 58.319 56.100 0.129 0.000 0.944 365 R CB -0.398 29.951 30.300 0.081 0.000 0.857 365 R HN 0.120 nan 8.270 nan 0.000 0.435 366 V N 1.458 121.422 119.914 0.083 0.000 2.295 366 V HA -0.267 3.852 4.120 -0.001 0.000 0.246 366 V C 2.440 178.577 176.094 0.072 0.000 1.049 366 V CA 1.756 64.091 62.300 0.059 0.000 1.024 366 V CB -0.487 31.363 31.823 0.044 0.000 0.648 366 V HN 0.331 nan 8.190 nan 0.000 0.447 367 L N -1.023 120.267 121.223 0.111 0.000 1.989 367 L HA -0.267 4.073 4.340 -0.001 0.000 0.211 367 L C 2.466 179.434 176.870 0.163 0.000 1.071 367 L CA 2.427 57.350 54.840 0.138 0.000 0.749 367 L CB -0.719 41.446 42.059 0.176 0.000 0.890 367 L HN 0.538 nan 8.230 nan 0.000 0.431 368 W N 1.643 122.927 121.300 -0.027 0.000 2.342 368 W HA -0.230 4.430 4.660 -0.001 0.000 0.297 368 W C 2.180 178.629 176.519 -0.117 0.000 1.213 368 W CA 1.762 59.056 57.345 -0.084 0.000 1.251 368 W CB 0.065 29.488 29.460 -0.061 0.000 1.136 368 W HN 0.290 nan 8.180 nan 0.000 0.526 369 E N -0.346 119.767 120.200 -0.144 0.000 2.031 369 E HA -0.203 4.146 4.350 -0.001 0.000 0.193 369 E C 2.083 178.506 176.600 -0.294 0.000 0.994 369 E CA 2.415 58.642 56.400 -0.287 0.000 0.800 369 E CB -0.661 28.962 29.700 -0.128 0.000 0.752 369 E HN 0.102 nan 8.360 nan 0.000 0.447 370 T N 1.874 116.336 114.554 -0.154 0.000 2.597 370 T HA -0.250 4.100 4.350 -0.001 0.000 0.267 370 T C 1.999 176.614 174.700 -0.142 0.000 1.053 370 T CA 1.622 63.656 62.100 -0.110 0.000 1.165 370 T CB -0.524 68.329 68.868 -0.026 0.000 0.863 370 T HN 0.095 nan 8.240 nan 0.000 0.427 371 I N 0.853 121.337 120.570 -0.143 0.000 2.053 371 I HA -0.274 3.896 4.170 -0.001 0.000 0.236 371 I C 2.784 178.773 176.117 -0.213 0.000 1.038 371 I CA 1.679 62.924 61.300 -0.092 0.000 1.304 371 I CB -0.453 37.498 38.000 -0.081 0.000 1.023 371 I HN 0.172 nan 8.210 nan 0.000 0.395 372 K N 0.473 120.407 120.400 -0.776 0.000 2.077 372 K HA -0.326 3.994 4.320 -0.001 0.000 0.213 372 K C 1.825 178.191 176.600 -0.390 0.000 1.051 372 K CA 2.596 58.273 56.287 -1.016 0.000 0.929 372 K CB -0.395 31.095 32.500 -1.683 0.000 0.715 372 K HN 0.271 nan 8.250 nan 0.000 0.451 373 D N -0.557 119.648 120.400 -0.325 0.000 2.126 373 D HA -0.181 4.459 4.640 -0.001 0.000 0.190 373 D C 1.664 177.912 176.300 -0.086 0.000 1.001 373 D CA 1.865 55.760 54.000 -0.174 0.000 0.841 373 D CB -0.069 40.633 40.800 -0.163 0.000 0.949 373 D HN 0.347 nan 8.370 nan 0.000 0.446 374 A N -0.572 122.199 122.820 -0.081 0.000 1.845 374 A HA -0.128 4.192 4.320 -0.001 0.000 0.215 374 A C 2.118 179.618 177.584 -0.140 0.000 1.195 374 A CA 1.176 53.136 52.037 -0.129 0.000 0.616 374 A CB -1.210 17.686 19.000 -0.173 0.000 0.832 374 A HN 0.331 nan 8.150 nan 0.000 0.443 375 F N 0.929 120.858 119.950 -0.034 0.000 2.451 375 F HA -0.057 4.470 4.527 -0.001 0.000 0.299 375 F C 2.247 178.081 175.800 0.056 0.000 1.101 375 F CA 1.207 59.213 58.000 0.010 0.000 1.436 375 F CB -0.039 39.015 39.000 0.089 0.000 1.074 375 F HN 0.086 nan 8.300 nan 0.000 0.553 376 S N -0.349 115.499 115.700 0.247 0.000 2.660 376 S HA 0.053 4.523 4.470 -0.001 0.000 0.228 376 S C 1.897 176.522 174.600 0.041 0.000 0.966 376 S CA 0.587 58.883 58.200 0.160 0.000 0.940 376 S CB -0.310 62.965 63.200 0.125 0.000 0.773 376 S HN 0.333 nan 8.310 nan 0.000 0.535 377 A N 0.671 123.486 122.820 -0.009 0.000 2.308 377 A HA 0.387 4.707 4.320 -0.001 0.000 0.217 377 A C 0.548 178.107 177.584 -0.042 0.000 1.216 377 A CA -0.089 51.923 52.037 -0.042 0.000 0.864 377 A CB -0.068 18.885 19.000 -0.078 0.000 0.902 377 A HN 0.456 nan 8.150 nan 0.000 0.499 378 I N 1.715 122.270 120.570 -0.025 0.000 2.306 378 I HA 0.244 4.414 4.170 -0.001 0.000 0.288 378 I C -2.529 173.580 176.117 -0.012 0.000 1.036 378 I CA -2.298 58.989 61.300 -0.021 0.000 1.221 378 I CB 1.406 39.405 38.000 -0.003 0.000 1.385 378 I HN -0.032 nan 8.210 nan 0.000 0.472 379 P HA -0.030 nan 4.420 nan 0.000 0.263 379 P C 0.927 178.218 177.300 -0.015 0.000 1.175 379 P CA 0.693 63.786 63.100 -0.011 0.000 0.761 379 P CB 0.459 32.155 31.700 -0.007 0.000 0.794 380 G N 1.434 110.222 108.800 -0.021 0.000 2.168 380 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.257 380 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.257 380 G C 0.310 175.174 174.900 -0.060 0.000 0.997 380 G CA -0.050 45.033 45.100 -0.029 0.000 0.708 380 G HN 0.640 nan 8.290 nan 0.000 0.520 381 V N 0.310 120.164 119.914 -0.099 0.000 2.843 381 V HA 0.485 4.604 4.120 -0.001 0.000 0.305 381 V C 0.466 176.348 176.094 -0.354 0.000 1.065 381 V CA 0.364 62.530 62.300 -0.222 0.000 1.116 381 V CB 1.095 32.779 31.823 -0.232 0.000 0.968 381 V HN 0.303 nan 8.190 nan 0.000 0.487 382 K N 6.178 126.313 120.400 -0.443 0.000 2.637 382 K HA 0.358 4.678 4.320 -0.001 0.000 0.248 382 K C -1.555 174.757 176.600 -0.481 0.000 0.971 382 K CA -0.324 55.716 56.287 -0.413 0.000 0.858 382 K CB 1.720 34.108 32.500 -0.187 0.000 1.170 382 K HN 0.452 nan 8.250 nan 0.000 0.443 383 F N 2.621 122.462 119.950 -0.180 0.000 2.438 383 F HA 0.313 4.839 4.527 -0.001 0.000 0.356 383 F C -0.059 175.605 175.800 -0.226 0.000 1.099 383 F CA -0.214 57.753 58.000 -0.055 0.000 1.185 383 F CB 0.359 39.358 39.000 -0.001 0.000 1.115 383 F HN 0.313 nan 8.300 nan 0.000 0.526 384 Y N 2.775 123.173 120.300 0.163 0.000 2.457 384 Y HA 0.543 5.092 4.550 -0.001 0.000 0.343 384 Y C -0.596 175.390 175.900 0.143 0.000 0.994 384 Y CA -1.754 56.371 58.100 0.041 0.000 1.031 384 Y CB 0.950 39.427 38.460 0.028 0.000 1.246 384 Y HN 0.284 nan 8.280 nan 0.000 0.449 385 F N 2.653 122.703 119.950 0.168 0.000 2.364 385 F HA 0.464 4.991 4.527 -0.001 0.000 0.316 385 F C -1.274 174.557 175.800 0.052 0.000 1.133 385 F CA -2.826 55.199 58.000 0.041 0.000 1.051 385 F CB -0.098 38.866 39.000 -0.061 0.000 1.342 385 F HN 0.234 nan 8.300 nan 0.000 0.507 386 P HA -0.173 nan 4.420 nan 0.000 0.212 386 P C 1.139 178.505 177.300 0.111 0.000 1.178 386 P CA 2.071 65.240 63.100 0.114 0.000 0.915 386 P CB 0.023 31.756 31.700 0.054 0.000 0.788 387 E N 0.089 120.355 120.200 0.110 0.000 2.172 387 E HA -0.245 4.105 4.350 -0.001 0.000 0.213 387 E C 1.466 178.124 176.600 0.097 0.000 1.051 387 E CA 1.869 58.325 56.400 0.093 0.000 0.860 387 E CB -1.281 28.478 29.700 0.098 0.000 0.755 387 E HN 0.356 nan 8.360 nan 0.000 0.462 388 D N 0.196 120.673 120.400 0.128 0.000 2.392 388 D HA -0.033 4.607 4.640 -0.001 0.000 0.228 388 D C 0.422 176.829 176.300 0.178 0.000 1.003 388 D CA 1.204 55.293 54.000 0.149 0.000 0.917 388 D CB -0.286 40.628 40.800 0.189 0.000 0.890 388 D HN 0.353 nan 8.370 nan 0.000 0.532 389 T N -3.050 111.570 114.554 0.110 0.000 2.916 389 T HA 0.547 4.896 4.350 -0.001 0.000 0.292 389 T C -2.957 171.762 174.700 0.031 0.000 1.055 389 T CA -2.267 59.859 62.100 0.043 0.000 1.009 389 T CB 2.484 71.338 68.868 -0.024 0.000 1.118 389 T HN -0.368 nan 8.240 nan 0.000 0.497 390 P HA 0.088 nan 4.420 nan 0.000 0.269 390 P C 0.998 178.308 177.300 0.017 0.000 1.211 390 P CA -0.107 63.003 63.100 0.017 0.000 0.781 390 P CB 0.440 32.146 31.700 0.010 0.000 0.877 391 E N 1.939 122.150 120.200 0.018 0.000 2.130 391 E HA -0.275 4.074 4.350 -0.001 0.000 0.196 391 E C 1.149 177.755 176.600 0.010 0.000 0.998 391 E CA 1.668 58.078 56.400 0.016 0.000 0.806 391 E CB -0.151 29.559 29.700 0.016 0.000 0.738 391 E HN 0.474 nan 8.360 nan 0.000 0.459 392 N N 0.486 119.192 118.700 0.010 0.000 2.412 392 N HA -0.092 4.647 4.740 -0.001 0.000 0.184 392 N C 0.429 175.942 175.510 0.006 0.000 1.101 392 N CA 0.536 53.591 53.050 0.008 0.000 0.881 392 N CB -0.432 38.065 38.487 0.017 0.000 0.969 392 N HN -0.052 nan 8.380 nan 0.000 0.459 393 S N -0.530 115.174 115.700 0.008 0.000 2.550 393 S HA 0.010 4.480 4.470 -0.001 0.000 0.285 393 S C 1.465 176.072 174.600 0.012 0.000 1.326 393 S CA -0.430 57.776 58.200 0.009 0.000 1.037 393 S CB 0.785 63.986 63.200 0.002 0.000 0.838 393 S HN -0.033 nan 8.310 nan 0.000 0.519 394 V N 2.647 122.577 119.914 0.027 0.000 2.295 394 V HA -0.133 3.986 4.120 -0.001 0.000 0.246 394 V C 2.404 178.533 176.094 0.059 0.000 1.049 394 V CA 1.908 64.209 62.300 0.000 0.000 1.024 394 V CB -0.994 30.810 31.823 -0.032 0.000 0.648 394 V HN 0.864 nan 8.190 nan 0.000 0.447 395 L N 0.312 121.668 121.223 0.222 0.000 2.021 395 L HA -0.249 4.090 4.340 -0.001 0.000 0.215 395 L C 2.559 179.475 176.870 0.077 0.000 1.074 395 L CA 2.097 57.069 54.840 0.219 0.000 0.760 395 L CB -0.762 41.365 42.059 0.113 0.000 0.889 395 L HN 0.230 nan 8.230 nan 0.000 0.433 396 R N -1.638 118.885 120.500 0.039 0.000 2.096 396 R HA -0.131 4.209 4.340 -0.001 0.000 0.235 396 R C 2.087 178.379 176.300 -0.012 0.000 1.127 396 R CA 1.455 57.563 56.100 0.015 0.000 0.968 396 R CB -0.404 29.902 30.300 0.010 0.000 0.861 396 R HN 0.329 nan 8.270 nan 0.000 0.440 397 V N 0.711 120.604 119.914 -0.035 0.000 2.283 397 V HA -0.199 3.921 4.120 -0.001 0.000 0.243 397 V C 2.121 178.166 176.094 -0.082 0.000 1.039 397 V CA 1.637 63.892 62.300 -0.075 0.000 1.016 397 V CB -0.411 31.349 31.823 -0.105 0.000 0.650 397 V HN 0.293 nan 8.190 nan 0.000 0.449 398 R N 0.221 120.667 120.500 -0.089 0.000 2.237 398 R HA -0.173 4.167 4.340 -0.001 0.000 0.219 398 R C 1.917 178.201 176.300 -0.028 0.000 1.080 398 R CA 1.488 57.523 56.100 -0.109 0.000 0.995 398 R CB -0.458 29.727 30.300 -0.191 0.000 0.875 398 R HN 0.669 nan 8.270 nan 0.000 0.462 399 D N 1.174 121.580 120.400 0.009 0.000 2.178 399 D HA -0.140 4.500 4.640 -0.001 0.000 0.201 399 D C 1.468 177.808 176.300 0.068 0.000 0.980 399 D CA 1.226 55.265 54.000 0.064 0.000 0.842 399 D CB 0.266 41.091 40.800 0.042 0.000 0.948 399 D HN 0.115 nan 8.370 nan 0.000 0.472 400 K N -0.781 119.602 120.400 -0.028 0.000 2.116 400 K HA -0.007 4.313 4.320 -0.001 0.000 0.203 400 K C 2.147 178.665 176.600 -0.137 0.000 1.052 400 K CA 1.145 57.368 56.287 -0.106 0.000 0.952 400 K CB -0.055 32.380 32.500 -0.108 0.000 0.729 400 K HN 0.054 nan 8.250 nan 0.000 0.446 401 T N 1.539 116.040 114.554 -0.089 0.000 2.746 401 T HA -0.080 4.270 4.350 -0.001 0.000 0.267 401 T C 1.596 176.295 174.700 -0.003 0.000 1.039 401 T CA 1.248 63.310 62.100 -0.063 0.000 1.142 401 T CB -0.057 68.768 68.868 -0.071 0.000 0.866 401 T HN 0.138 nan 8.240 nan 0.000 0.444 402 M N 1.522 121.153 119.600 0.052 0.000 2.682 402 M HA 0.034 4.514 4.480 -0.001 0.000 0.235 402 M C 1.757 178.111 176.300 0.091 0.000 1.114 402 M CA 0.634 56.042 55.300 0.180 0.000 1.053 402 M CB 0.059 32.818 32.600 0.265 0.000 1.599 402 M HN 0.347 nan 8.290 nan 0.000 0.520 403 Q N -1.597 118.029 119.800 -0.290 0.000 2.171 403 Q HA 0.328 4.668 4.340 -0.001 0.000 0.218 403 Q C 0.850 176.394 176.000 -0.759 0.000 0.822 403 Q CA 0.530 55.823 55.803 -0.850 0.000 0.987 403 Q CB 0.849 28.664 28.738 -1.537 0.000 1.144 403 Q HN 0.357 nan 8.270 nan 0.000 0.494 404 G N 1.507 110.101 108.800 -0.343 0.000 2.176 404 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.232 404 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.232 404 G C 0.044 174.790 174.900 -0.257 0.000 0.986 404 G CA 0.002 44.958 45.100 -0.241 0.000 0.643 404 G HN 0.367 nan 8.290 nan 0.000 0.522 405 I N 3.584 123.951 120.570 -0.337 0.000 2.337 405 I HA 0.300 4.469 4.170 -0.001 0.000 0.291 405 I C -1.595 174.346 176.117 -0.294 0.000 1.046 405 I CA -2.047 59.017 61.300 -0.392 0.000 1.324 405 I CB 1.193 38.987 38.000 -0.343 0.000 1.409 405 I HN -0.037 nan 8.210 nan 0.000 0.494 406 P HA 0.265 nan 4.420 nan 0.000 0.282 406 P C -0.633 176.679 177.300 0.021 0.000 1.249 406 P CA -0.132 62.883 63.100 -0.141 0.000 0.806 406 P CB 1.607 33.219 31.700 -0.146 0.000 0.984 407 T N -1.081 113.523 114.554 0.083 0.000 2.804 407 T HA 0.453 4.802 4.350 -0.001 0.000 0.290 407 T C 0.284 175.142 174.700 0.263 0.000 1.099 407 T CA -0.424 61.764 62.100 0.147 0.000 1.011 407 T CB 1.093 69.923 68.868 -0.063 0.000 1.291 407 T HN 0.517 nan 8.240 nan 0.000 0.523 408 Y N -1.382 118.996 120.300 0.130 0.000 2.445 408 Y HA 0.384 4.934 4.550 -0.001 0.000 0.247 408 Y C 1.047 176.979 175.900 0.052 0.000 1.129 408 Y CA -0.320 57.843 58.100 0.104 0.000 1.251 408 Y CB -0.714 37.795 38.460 0.083 0.000 1.176 408 Y HN 0.499 nan 8.280 nan 0.000 0.522 409 D N 2.090 122.189 120.400 -0.502 0.000 2.212 409 D HA -0.249 4.391 4.640 -0.001 0.000 0.197 409 D C 1.554 177.793 176.300 -0.101 0.000 1.004 409 D CA 2.465 56.241 54.000 -0.373 0.000 0.864 409 D CB -0.322 40.294 40.800 -0.306 0.000 1.027 409 D HN 0.487 nan 8.370 nan 0.000 0.455 410 E N 0.228 120.399 120.200 -0.047 0.000 2.483 410 E HA -0.172 4.178 4.350 -0.001 0.000 0.205 410 E C 1.792 178.451 176.600 0.098 0.000 1.075 410 E CA 0.028 56.459 56.400 0.052 0.000 0.889 410 E CB -0.114 29.613 29.700 0.044 0.000 0.816 410 E HN 0.304 nan 8.360 nan 0.000 0.567 411 L N 1.039 122.267 121.223 0.009 0.000 2.201 411 L HA -0.134 4.206 4.340 -0.001 0.000 0.212 411 L C 2.175 178.942 176.870 -0.173 0.000 1.105 411 L CA 1.317 56.092 54.840 -0.109 0.000 0.775 411 L CB -0.387 41.670 42.059 -0.004 0.000 0.913 411 L HN -0.005 nan 8.230 nan 0.000 0.440 412 K N 0.607 120.994 120.400 -0.021 0.000 2.173 412 K HA -0.236 4.083 4.320 -0.001 0.000 0.207 412 K C 2.150 178.794 176.600 0.074 0.000 1.046 412 K CA 2.040 58.348 56.287 0.035 0.000 0.929 412 K CB -0.542 32.013 32.500 0.091 0.000 0.720 412 K HN 0.618 nan 8.250 nan 0.000 0.453 413 W N 1.378 122.696 121.300 0.029 0.000 2.519 413 W HA -0.119 4.541 4.660 -0.001 0.000 0.266 413 W C 1.424 177.957 176.519 0.023 0.000 1.253 413 W CA 0.850 58.212 57.345 0.028 0.000 1.274 413 W CB -0.674 28.737 29.460 -0.081 0.000 1.114 413 W HN 0.157 nan 8.180 nan 0.000 0.596 414 I N 0.513 120.568 120.570 -0.858 0.000 2.248 414 I HA -0.253 3.917 4.170 -0.001 0.000 0.248 414 I C 1.233 177.237 176.117 -0.189 0.000 1.107 414 I CA 1.963 62.756 61.300 -0.845 0.000 1.373 414 I CB -0.960 36.597 38.000 -0.737 0.000 1.055 414 I HN -0.266 nan 8.210 nan 0.000 0.418 415 D N 0.660 121.032 120.400 -0.046 0.000 2.355 415 D HA -0.121 4.518 4.640 -0.001 0.000 0.253 415 D C 1.390 177.798 176.300 0.179 0.000 1.187 415 D CA 0.220 54.249 54.000 0.048 0.000 0.900 415 D CB -0.502 40.316 40.800 0.031 0.000 0.915 415 D HN 0.661 nan 8.370 nan 0.000 0.516 416 W N 0.674 122.015 121.300 0.069 0.000 2.318 416 W HA -0.171 4.489 4.660 -0.001 0.000 0.313 416 W C 0.016 176.580 176.519 0.074 0.000 1.221 416 W CA 0.851 58.263 57.345 0.112 0.000 1.266 416 W CB 0.232 29.787 29.460 0.159 0.000 1.150 416 W HN -0.009 nan 8.180 nan 0.000 0.496 417 L N -0.521 120.754 121.223 0.086 0.000 2.313 417 L HA 0.219 4.558 4.340 -0.001 0.000 0.268 417 L C -1.157 175.699 176.870 -0.023 0.000 1.010 417 L CA -2.196 52.626 54.840 -0.030 0.000 0.814 417 L CB 0.608 42.688 42.059 0.035 0.000 1.304 417 L HN -0.379 nan 8.230 nan 0.000 0.441 418 P HA -0.117 nan 4.420 nan 0.000 0.214 418 P C 0.226 177.508 177.300 -0.030 0.000 1.163 418 P CA 1.374 64.455 63.100 -0.032 0.000 0.883 418 P CB 0.189 31.873 31.700 -0.027 0.000 0.788 419 N N -0.355 118.328 118.700 -0.029 0.000 2.635 419 N HA 0.162 4.902 4.740 -0.001 0.000 0.307 419 N C 0.456 175.909 175.510 -0.094 0.000 1.433 419 N CA -0.019 53.003 53.050 -0.046 0.000 0.973 419 N CB 0.428 38.904 38.487 -0.019 0.000 1.304 419 N HN 0.040 nan 8.380 nan 0.000 0.507 420 G N 0.175 108.914 108.800 -0.101 0.000 2.491 420 G HA2 0.469 4.428 3.960 -0.001 0.000 0.238 420 G HA3 0.469 4.428 3.960 -0.001 0.000 0.238 420 G C -0.281 174.451 174.900 -0.280 0.000 1.277 420 G CA -0.112 44.882 45.100 -0.176 0.000 0.851 420 G HN 0.302 nan 8.290 nan 0.000 0.573 421 A N 1.806 124.319 122.820 -0.511 0.000 2.569 421 A HA 0.924 5.244 4.320 -0.001 0.000 0.290 421 A C -0.556 176.653 177.584 -0.625 0.000 1.136 421 A CA -0.771 50.913 52.037 -0.587 0.000 0.710 421 A CB 1.686 20.278 19.000 -0.681 0.000 1.303 421 A HN 1.303 nan 8.150 nan 0.000 0.413 422 H N -1.021 117.764 119.070 -0.476 0.000 2.990 422 H HA 0.833 5.389 4.556 -0.001 0.000 0.343 422 H C -2.129 173.059 175.328 -0.233 0.000 1.270 422 H CA -1.000 54.857 56.048 -0.318 0.000 1.118 422 H CB 1.158 30.781 29.762 -0.232 0.000 1.861 422 H HN 0.566 nan 8.280 nan 0.000 0.544 423 L N 0.929 122.118 121.223 -0.056 0.000 2.434 423 L HA 0.397 4.737 4.340 -0.001 0.000 0.260 423 L C -1.355 175.415 176.870 -0.167 0.000 0.983 423 L CA -0.815 53.953 54.840 -0.121 0.000 0.820 423 L CB 2.320 44.465 42.059 0.143 0.000 1.361 423 L HN 0.364 nan 8.230 nan 0.000 0.410 424 F N 1.993 122.002 119.950 0.099 0.000 2.404 424 F HA 0.344 4.871 4.527 -0.001 0.000 0.354 424 F C -0.133 175.775 175.800 0.179 0.000 1.122 424 F CA -0.598 57.451 58.000 0.081 0.000 1.080 424 F CB 1.209 40.159 39.000 -0.083 0.000 1.131 424 F HN 0.138 nan 8.300 nan 0.000 0.471 425 F N 3.353 123.411 119.950 0.179 0.000 2.390 425 F HA 0.450 4.977 4.527 -0.001 0.000 0.361 425 F C -0.099 175.763 175.800 0.102 0.000 1.124 425 F CA -0.725 57.325 58.000 0.082 0.000 1.149 425 F CB 0.501 39.480 39.000 -0.036 0.000 1.160 425 F HN 0.304 nan 8.300 nan 0.000 0.501 426 S N 8.471 123.928 115.700 -0.405 0.000 2.328 426 S HA 0.348 4.818 4.470 -0.001 0.000 0.204 426 S C -2.636 171.707 174.600 -0.428 0.000 1.475 426 S CA -1.204 56.806 58.200 -0.317 0.000 1.148 426 S CB 0.164 63.496 63.200 0.221 0.000 1.077 426 S HN 0.433 nan 8.310 nan 0.000 0.479 427 P HA 0.353 nan 4.420 nan 0.000 0.275 427 P C -0.481 176.719 177.300 -0.167 0.000 1.266 427 P CA -0.579 62.327 63.100 -0.323 0.000 0.793 427 P CB 0.585 32.138 31.700 -0.245 0.000 1.074 428 I N -0.601 119.921 120.570 -0.080 0.000 2.648 428 I HA 0.664 4.833 4.170 -0.001 0.000 0.304 428 I C 0.199 176.294 176.117 -0.038 0.000 1.009 428 I CA -1.066 60.190 61.300 -0.073 0.000 1.114 428 I CB 1.120 39.088 38.000 -0.053 0.000 1.293 428 I HN 0.421 nan 8.210 nan 0.000 0.449 429 A N 4.997 127.811 122.820 -0.011 0.000 2.515 429 A HA 0.644 4.963 4.320 -0.001 0.000 0.298 429 A C -0.424 177.205 177.584 0.076 0.000 1.059 429 A CA -0.792 51.220 52.037 -0.041 0.000 0.698 429 A CB 1.390 20.254 19.000 -0.227 0.000 1.289 429 A HN 0.673 nan 8.150 nan 0.000 0.404 430 K N -0.133 120.352 120.400 0.142 0.000 2.229 430 K HA 0.313 4.633 4.320 -0.001 0.000 0.250 430 K C -0.301 176.312 176.600 0.021 0.000 1.016 430 K CA -0.133 56.208 56.287 0.090 0.000 0.866 430 K CB 0.330 32.888 32.500 0.096 0.000 1.028 430 K HN 0.289 nan 8.250 nan 0.000 0.514 431 V N 1.918 121.837 119.914 0.008 0.000 2.125 431 V HA 0.104 4.224 4.120 -0.001 0.000 0.263 431 V C -0.412 175.651 176.094 -0.052 0.000 1.365 431 V CA -0.267 62.013 62.300 -0.033 0.000 1.276 431 V CB -0.576 31.244 31.823 -0.005 0.000 1.350 431 V HN 0.735 nan 8.190 nan 0.000 0.487 432 S N 1.559 117.215 115.700 -0.074 0.000 2.619 432 S HA 0.584 5.054 4.470 -0.001 0.000 0.280 432 S C 1.095 175.620 174.600 -0.126 0.000 1.150 432 S CA 0.083 58.238 58.200 -0.076 0.000 0.978 432 S CB 1.894 65.079 63.200 -0.025 0.000 1.041 432 S HN 0.555 nan 8.310 nan 0.000 0.485 433 G N 2.606 111.314 108.800 -0.154 0.000 2.491 433 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.218 433 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.218 433 G C 1.011 175.837 174.900 -0.122 0.000 1.180 433 G CA 1.310 46.296 45.100 -0.189 0.000 0.774 433 G HN 0.903 nan 8.290 nan 0.000 0.562 434 E N 0.141 120.304 120.200 -0.062 0.000 2.055 434 E HA -0.297 4.053 4.350 -0.001 0.000 0.209 434 E C 2.100 178.721 176.600 0.035 0.000 1.036 434 E CA 1.908 58.303 56.400 -0.008 0.000 0.849 434 E CB -0.289 29.415 29.700 0.007 0.000 0.767 434 E HN 0.403 nan 8.360 nan 0.000 0.461 435 D N -0.803 119.630 120.400 0.055 0.000 2.084 435 D HA -0.112 4.528 4.640 -0.001 0.000 0.194 435 D C 1.846 178.184 176.300 0.062 0.000 0.990 435 D CA 1.792 55.891 54.000 0.165 0.000 0.826 435 D CB -0.293 40.630 40.800 0.205 0.000 0.971 435 D HN 0.318 nan 8.370 nan 0.000 0.453 436 A N 0.278 123.020 122.820 -0.130 0.000 1.908 436 A HA -0.201 4.118 4.320 -0.001 0.000 0.218 436 A C 2.225 179.691 177.584 -0.197 0.000 1.181 436 A CA 1.655 53.491 52.037 -0.335 0.000 0.627 436 A CB -0.545 18.013 19.000 -0.736 0.000 0.818 436 A HN 0.248 nan 8.150 nan 0.000 0.445 437 M N -1.503 118.033 119.600 -0.107 0.000 2.117 437 M HA -0.116 4.364 4.480 -0.001 0.000 0.262 437 M C 2.383 178.774 176.300 0.152 0.000 1.065 437 M CA 1.709 57.042 55.300 0.054 0.000 1.114 437 M CB -0.999 31.621 32.600 0.033 0.000 1.361 437 M HN 0.627 nan 8.290 nan 0.000 0.408 438 M N -0.042 119.652 119.600 0.157 0.000 2.065 438 M HA -0.301 4.178 4.480 -0.001 0.000 0.259 438 M C 2.287 178.764 176.300 0.295 0.000 1.069 438 M CA 1.927 57.383 55.300 0.260 0.000 1.110 438 M CB -0.308 32.514 32.600 0.371 0.000 1.328 438 M HN 0.285 nan 8.290 nan 0.000 0.405 439 Q N -1.083 118.782 119.800 0.108 0.000 2.124 439 Q HA -0.244 4.095 4.340 -0.001 0.000 0.202 439 Q C 1.930 177.997 176.000 0.112 0.000 0.977 439 Q CA 1.746 57.401 55.803 -0.247 0.000 0.850 439 Q CB -0.295 27.897 28.738 -0.911 0.000 0.901 439 Q HN 0.655 nan 8.270 nan 0.000 0.429 440 Y N 0.583 120.913 120.300 0.050 0.000 2.097 440 Y HA -0.258 4.292 4.550 -0.001 0.000 0.282 440 Y C 2.026 177.923 175.900 -0.005 0.000 1.152 440 Y CA 1.493 59.639 58.100 0.076 0.000 1.136 440 Y CB -0.912 37.615 38.460 0.112 0.000 0.975 440 Y HN 0.191 nan 8.280 nan 0.000 0.498 441 A N -0.080 122.665 122.820 -0.125 0.000 1.859 441 A HA -0.262 4.058 4.320 -0.001 0.000 0.218 441 A C 2.476 180.002 177.584 -0.097 0.000 1.209 441 A CA 2.938 54.875 52.037 -0.167 0.000 0.639 441 A CB -1.553 17.451 19.000 0.007 0.000 0.835 441 A HN 0.356 nan 8.150 nan 0.000 0.450 442 V N -0.213 119.728 119.914 0.044 0.000 2.231 442 V HA -0.316 3.804 4.120 -0.001 0.000 0.250 442 V C 2.796 178.912 176.094 0.037 0.000 1.058 442 V CA 2.770 65.124 62.300 0.091 0.000 1.022 442 V CB -1.372 30.595 31.823 0.239 0.000 0.640 442 V HN 0.696 nan 8.190 nan 0.000 0.445 443 T N -0.842 113.750 114.554 0.064 0.000 2.833 443 T HA -0.237 4.113 4.350 -0.001 0.000 0.269 443 T C 1.895 176.615 174.700 0.035 0.000 1.054 443 T CA 1.786 63.938 62.100 0.087 0.000 1.135 443 T CB -0.177 68.862 68.868 0.284 0.000 0.869 443 T HN 0.492 nan 8.240 nan 0.000 0.466 444 K N 1.158 121.445 120.400 -0.188 0.000 2.062 444 K HA -0.023 4.297 4.320 -0.001 0.000 0.205 444 K C 2.176 178.724 176.600 -0.086 0.000 1.051 444 K CA 0.899 57.033 56.287 -0.256 0.000 0.941 444 K CB 0.050 32.134 32.500 -0.694 0.000 0.719 444 K HN 0.197 nan 8.250 nan 0.000 0.440 445 K N 0.347 120.702 120.400 -0.075 0.000 1.977 445 K HA -0.161 4.159 4.320 -0.001 0.000 0.218 445 K C 2.186 178.817 176.600 0.052 0.000 1.051 445 K CA 1.479 57.764 56.287 -0.003 0.000 0.953 445 K CB -0.227 32.280 32.500 0.011 0.000 0.727 445 K HN 0.030 nan 8.250 nan 0.000 0.445 446 R N 1.050 121.580 120.500 0.049 0.000 2.115 446 R HA -0.174 4.166 4.340 -0.001 0.000 0.239 446 R C 2.530 178.913 176.300 0.138 0.000 1.133 446 R CA 1.525 57.678 56.100 0.088 0.000 0.935 446 R CB -1.671 28.588 30.300 -0.069 0.000 0.853 446 R HN 0.375 nan 8.270 nan 0.000 0.433 447 C N 1.060 120.423 119.300 0.104 0.000 2.375 447 C HA -0.190 4.270 4.460 -0.001 0.000 0.274 447 C C 2.784 177.856 174.990 0.136 0.000 1.190 447 C CA 1.219 60.318 59.018 0.136 0.000 1.775 447 C CB -1.015 26.837 27.740 0.188 0.000 2.067 447 C HN 0.552 nan 8.230 nan 0.000 0.463 448 Q N 0.285 120.151 119.800 0.111 0.000 2.020 448 Q HA -0.204 4.135 4.340 -0.001 0.000 0.202 448 Q C 2.122 178.181 176.000 0.098 0.000 0.982 448 Q CA 1.598 57.458 55.803 0.094 0.000 0.838 448 Q CB -0.357 28.420 28.738 0.065 0.000 0.899 448 Q HN 0.704 nan 8.270 nan 0.000 0.423 449 E N 0.675 120.947 120.200 0.120 0.000 2.147 449 E HA -0.237 4.112 4.350 -0.001 0.000 0.199 449 E C 1.727 178.378 176.600 0.085 0.000 1.005 449 E CA 1.162 57.629 56.400 0.112 0.000 0.810 449 E CB -0.196 29.634 29.700 0.218 0.000 0.736 449 E HN 0.376 nan 8.360 nan 0.000 0.460 450 A N 0.206 123.132 122.820 0.177 0.000 2.208 450 A HA 0.259 4.578 4.320 -0.001 0.000 0.209 450 A C 1.638 179.276 177.584 0.090 0.000 1.161 450 A CA 0.748 52.872 52.037 0.144 0.000 0.782 450 A CB -0.110 19.043 19.000 0.254 0.000 0.816 450 A HN 0.319 nan 8.150 nan 0.000 0.477 451 G N -0.997 107.856 108.800 0.088 0.000 2.212 451 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.255 451 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.255 451 G C -0.222 174.747 174.900 0.115 0.000 1.062 451 G CA 0.378 45.528 45.100 0.083 0.000 0.815 451 G HN 0.468 nan 8.290 nan 0.000 0.497 452 L N 0.146 121.449 121.223 0.133 0.000 2.362 452 L HA 0.471 4.810 4.340 -0.001 0.000 0.271 452 L C -0.102 176.862 176.870 0.157 0.000 1.002 452 L CA -1.239 53.696 54.840 0.157 0.000 0.818 452 L CB 1.480 43.633 42.059 0.156 0.000 1.298 452 L HN 0.019 nan 8.230 nan 0.000 0.420 453 D N 1.787 122.298 120.400 0.186 0.000 2.424 453 D HA 0.053 4.693 4.640 -0.001 0.000 0.244 453 D C -0.423 175.909 176.300 0.054 0.000 1.134 453 D CA 0.187 54.282 54.000 0.158 0.000 0.881 453 D CB 1.246 42.179 40.800 0.221 0.000 1.191 453 D HN 0.155 nan 8.370 nan 0.000 0.445 454 F N 2.792 122.700 119.950 -0.071 0.000 2.484 454 F HA 0.325 4.852 4.527 -0.001 0.000 0.360 454 F C -0.339 175.268 175.800 -0.322 0.000 1.101 454 F CA -0.135 57.776 58.000 -0.149 0.000 1.251 454 F CB 0.296 39.209 39.000 -0.146 0.000 1.132 454 F HN 0.186 nan 8.300 nan 0.000 0.570 455 I N 5.694 125.392 120.570 -1.453 0.000 2.548 455 I HA 0.619 4.788 4.170 -0.001 0.000 0.287 455 I C -0.133 175.228 176.117 -1.261 0.000 1.103 455 I CA -0.433 60.169 61.300 -1.165 0.000 1.049 455 I CB 1.683 39.187 38.000 -0.828 0.000 1.232 455 I HN 0.830 nan 8.210 nan 0.000 0.429 456 G N 3.241 111.526 108.800 -0.858 0.000 2.600 456 G HA2 0.800 4.759 3.960 -0.001 0.000 0.293 456 G HA3 0.800 4.759 3.960 -0.001 0.000 0.293 456 G C -1.519 173.351 174.900 -0.050 0.000 1.408 456 G CA -0.466 44.382 45.100 -0.419 0.000 0.782 456 G HN 0.383 nan 8.290 nan 0.000 0.482 457 T N -0.395 114.127 114.554 -0.053 0.000 2.900 457 T HA 0.617 4.967 4.350 -0.001 0.000 0.303 457 T C -1.535 173.114 174.700 -0.084 0.000 1.142 457 T CA -0.425 61.695 62.100 0.033 0.000 1.007 457 T CB 1.739 70.587 68.868 -0.034 0.000 1.156 457 T HN 0.348 nan 8.240 nan 0.000 0.490 458 F N 2.073 122.115 119.950 0.153 0.000 2.444 458 F HA 0.524 5.051 4.527 -0.001 0.000 0.342 458 F C 1.067 176.913 175.800 0.075 0.000 1.121 458 F CA -0.790 57.254 58.000 0.073 0.000 0.997 458 F CB 1.659 40.616 39.000 -0.072 0.000 1.130 458 F HN 0.588 nan 8.300 nan 0.000 0.454 459 T N 0.313 114.997 114.554 0.217 0.000 2.767 459 T HA 0.600 4.950 4.350 -0.001 0.000 0.284 459 T C -0.497 174.286 174.700 0.139 0.000 0.973 459 T CA -0.859 61.337 62.100 0.160 0.000 0.996 459 T CB 0.993 69.939 68.868 0.129 0.000 0.927 459 T HN 0.281 nan 8.240 nan 0.000 0.456 460 V N 3.785 123.792 119.914 0.155 0.000 2.439 460 V HA 0.530 4.649 4.120 -0.001 0.000 0.271 460 V C 1.298 177.444 176.094 0.086 0.000 1.040 460 V CA -0.433 61.953 62.300 0.145 0.000 1.002 460 V CB 0.069 32.020 31.823 0.213 0.000 1.000 460 V HN 1.144 nan 8.190 nan 0.000 0.477 461 G N 3.006 111.849 108.800 0.072 0.000 2.528 461 G HA2 0.421 4.381 3.960 -0.001 0.000 0.289 461 G HA3 0.421 4.381 3.960 -0.001 0.000 0.289 461 G C 0.574 175.520 174.900 0.077 0.000 1.192 461 G CA -0.560 44.570 45.100 0.051 0.000 0.921 461 G HN 0.747 nan 8.290 nan 0.000 0.512 462 M N -0.399 119.244 119.600 0.072 0.000 2.175 462 M HA 0.082 4.562 4.480 -0.001 0.000 0.264 462 M C 1.884 178.226 176.300 0.070 0.000 1.063 462 M CA 1.621 56.966 55.300 0.075 0.000 1.119 462 M CB 0.115 32.756 32.600 0.069 0.000 1.377 462 M HN 0.462 nan 8.290 nan 0.000 0.415 463 R N -0.249 120.293 120.500 0.069 0.000 2.566 463 R HA 0.218 4.558 4.340 -0.001 0.000 0.388 463 R C -0.833 175.508 176.300 0.069 0.000 0.989 463 R CA -0.060 56.076 56.100 0.061 0.000 1.164 463 R CB 0.586 30.918 30.300 0.053 0.000 1.459 463 R HN 0.401 nan 8.270 nan 0.000 0.553 464 E N 0.137 120.389 120.200 0.087 0.000 2.446 464 E HA 0.499 4.848 4.350 -0.001 0.000 0.276 464 E C -0.894 175.784 176.600 0.130 0.000 0.969 464 E CA -0.886 55.576 56.400 0.104 0.000 0.800 464 E CB 1.289 31.058 29.700 0.115 0.000 1.341 464 E HN -0.122 nan 8.360 nan 0.000 0.460 465 M N 1.761 121.445 119.600 0.140 0.000 2.124 465 M HA 0.312 4.792 4.480 -0.001 0.000 0.280 465 M C -1.470 174.956 176.300 0.210 0.000 0.954 465 M CA -0.762 54.647 55.300 0.182 0.000 0.958 465 M CB 1.664 34.356 32.600 0.154 0.000 1.611 465 M HN 0.575 nan 8.290 nan 0.000 0.449 466 H N 1.834 120.893 119.070 -0.018 0.000 2.899 466 H HA 0.149 4.704 4.556 -0.001 0.000 0.303 466 H C -0.369 174.940 175.328 -0.031 0.000 1.042 466 H CA 0.664 56.634 56.048 -0.129 0.000 1.479 466 H CB 0.004 29.582 29.762 -0.306 0.000 1.493 466 H HN 0.349 nan 8.280 nan 0.000 0.534 467 H N 4.828 123.822 119.070 -0.127 0.000 2.683 467 H HA 0.186 4.742 4.556 -0.001 0.000 0.270 467 H C -0.757 174.419 175.328 -0.253 0.000 1.201 467 H CA -1.216 54.658 56.048 -0.291 0.000 1.277 467 H CB -0.343 29.220 29.762 -0.332 0.000 1.400 467 H HN 0.404 nan 8.280 nan 0.000 0.504 468 I N 6.765 127.224 120.570 -0.185 0.000 2.311 468 I HA 0.033 4.202 4.170 -0.001 0.000 0.297 468 I C 0.124 176.076 176.117 -0.275 0.000 1.131 468 I CA -0.410 60.763 61.300 -0.211 0.000 1.289 468 I CB -0.424 37.451 38.000 -0.208 0.000 1.446 468 I HN 0.248 nan 8.210 nan 0.000 0.524 469 V N 6.010 125.751 119.914 -0.288 0.000 2.427 469 V HA 0.050 4.170 4.120 -0.001 0.000 0.268 469 V C 0.462 176.522 176.094 -0.057 0.000 1.046 469 V CA -0.358 61.793 62.300 -0.249 0.000 0.970 469 V CB 0.711 32.509 31.823 -0.042 0.000 1.001 469 V HN 0.748 nan 8.190 nan 0.000 0.476 470 C N 7.155 126.323 119.300 -0.220 0.000 2.145 470 C HA 0.397 4.857 4.460 -0.001 0.000 0.374 470 C C 0.803 175.757 174.990 -0.060 0.000 1.035 470 C CA -0.947 58.021 59.018 -0.084 0.000 1.431 470 C CB -1.717 25.725 27.740 -0.496 0.000 1.789 470 C HN 0.662 nan 8.230 nan 0.000 0.483 471 I N 3.751 124.363 120.570 0.068 0.000 2.483 471 I HA 0.155 4.325 4.170 -0.001 0.000 0.291 471 I C 0.522 176.797 176.117 0.262 0.000 1.112 471 I CA 0.542 61.925 61.300 0.139 0.000 1.350 471 I CB 0.020 38.117 38.000 0.162 0.000 1.419 471 I HN 0.447 nan 8.210 nan 0.000 0.523 472 V N 8.201 128.265 119.914 0.250 0.000 2.732 472 V HA 0.805 4.924 4.120 -0.001 0.000 0.310 472 V C -0.698 175.569 176.094 0.288 0.000 1.053 472 V CA -0.272 62.161 62.300 0.221 0.000 0.957 472 V CB 1.738 33.724 31.823 0.270 0.000 1.018 472 V HN 0.648 nan 8.190 nan 0.000 0.452 473 F N 1.711 121.743 119.950 0.135 0.000 2.817 473 F HA 0.532 5.059 4.527 -0.001 0.000 0.317 473 F C -0.858 174.984 175.800 0.070 0.000 1.168 473 F CA -1.246 56.816 58.000 0.103 0.000 0.911 473 F CB 1.157 40.208 39.000 0.084 0.000 1.337 473 F HN 0.476 nan 8.300 nan 0.000 0.464 474 N N 1.797 120.708 118.700 0.352 0.000 2.421 474 N HA 0.087 4.826 4.740 -0.001 0.000 0.260 474 N C 0.644 176.337 175.510 0.304 0.000 1.173 474 N CA 0.015 53.191 53.050 0.210 0.000 0.960 474 N CB 0.926 39.511 38.487 0.163 0.000 1.273 474 N HN 0.833 nan 8.380 nan 0.000 0.497 475 K N 1.887 122.373 120.400 0.143 0.000 2.520 475 K HA -0.116 4.204 4.320 -0.001 0.000 0.197 475 K C 0.573 177.288 176.600 0.192 0.000 1.043 475 K CA 1.273 57.670 56.287 0.184 0.000 0.944 475 K CB 0.211 32.653 32.500 -0.096 0.000 0.770 475 K HN 0.300 nan 8.250 nan 0.000 0.480 476 K N 0.515 121.002 120.400 0.145 0.000 2.374 476 K HA 0.060 4.379 4.320 -0.001 0.000 0.202 476 K C -0.392 176.274 176.600 0.110 0.000 1.040 476 K CA -0.167 56.196 56.287 0.126 0.000 1.085 476 K CB 0.581 33.132 32.500 0.084 0.000 0.873 476 K HN 0.114 nan 8.250 nan 0.000 0.539 477 D N 1.570 122.046 120.400 0.126 0.000 2.396 477 D HA 0.088 4.727 4.640 -0.001 0.000 0.225 477 D C 1.076 177.427 176.300 0.084 0.000 1.121 477 D CA -0.106 53.952 54.000 0.098 0.000 0.853 477 D CB 0.814 41.678 40.800 0.107 0.000 1.043 477 D HN 0.004 nan 8.370 nan 0.000 0.500 478 L N 3.787 125.047 121.223 0.062 0.000 2.013 478 L HA -0.218 4.121 4.340 -0.001 0.000 0.212 478 L C 2.401 179.288 176.870 0.028 0.000 1.073 478 L CA 1.051 55.917 54.840 0.045 0.000 0.753 478 L CB -0.311 41.768 42.059 0.034 0.000 0.890 478 L HN 0.529 nan 8.230 nan 0.000 0.432 479 I N -0.639 119.945 120.570 0.024 0.000 2.179 479 I HA -0.326 3.843 4.170 -0.001 0.000 0.242 479 I C 2.745 178.866 176.117 0.005 0.000 1.088 479 I CA 1.546 62.852 61.300 0.009 0.000 1.357 479 I CB -0.283 37.721 38.000 0.007 0.000 1.051 479 I HN 0.410 nan 8.210 nan 0.000 0.409 480 Q N 1.148 120.961 119.800 0.022 0.000 2.123 480 Q HA -0.175 4.165 4.340 -0.001 0.000 0.199 480 Q C 2.160 178.121 176.000 -0.065 0.000 0.966 480 Q CA 1.142 56.957 55.803 0.019 0.000 0.845 480 Q CB 0.183 28.971 28.738 0.084 0.000 0.907 480 Q HN 0.386 nan 8.270 nan 0.000 0.439 481 K N 0.126 120.472 120.400 -0.088 0.000 2.032 481 K HA -0.166 4.153 4.320 -0.001 0.000 0.209 481 K C 2.230 178.735 176.600 -0.159 0.000 1.048 481 K CA 1.302 57.434 56.287 -0.258 0.000 0.927 481 K CB -0.130 32.303 32.500 -0.111 0.000 0.712 481 K HN 0.139 nan 8.250 nan 0.000 0.441 482 R N 1.209 121.681 120.500 -0.048 0.000 2.091 482 R HA -0.135 4.204 4.340 -0.001 0.000 0.238 482 R C 2.149 178.477 176.300 0.045 0.000 1.136 482 R CA 1.572 57.676 56.100 0.007 0.000 0.959 482 R CB -0.018 30.290 30.300 0.013 0.000 0.856 482 R HN 0.153 nan 8.270 nan 0.000 0.437 483 K N -0.256 120.155 120.400 0.018 0.000 2.063 483 K HA -0.122 4.198 4.320 -0.001 0.000 0.208 483 K C 1.987 178.661 176.600 0.123 0.000 1.048 483 K CA 1.393 57.721 56.287 0.069 0.000 0.928 483 K CB -0.084 32.432 32.500 0.026 0.000 0.713 483 K HN 0.041 nan 8.250 nan 0.000 0.442 484 V N 1.694 121.585 119.914 -0.038 0.000 2.427 484 V HA -0.232 3.887 4.120 -0.001 0.000 0.248 484 V C 2.226 178.283 176.094 -0.062 0.000 1.051 484 V CA 1.614 63.840 62.300 -0.124 0.000 1.048 484 V CB -0.375 31.144 31.823 -0.506 0.000 0.666 484 V HN 0.350 nan 8.190 nan 0.000 0.456 485 Q N -1.693 118.108 119.800 0.002 0.000 2.119 485 Q HA -0.260 4.079 4.340 -0.001 0.000 0.201 485 Q C 2.057 178.114 176.000 0.095 0.000 0.972 485 Q CA 2.101 57.966 55.803 0.104 0.000 0.847 485 Q CB -0.223 28.592 28.738 0.129 0.000 0.903 485 Q HN 0.826 nan 8.270 nan 0.000 0.433 486 W N 1.340 122.615 121.300 -0.042 0.000 2.379 486 W HA -0.223 4.437 4.660 -0.000 0.000 0.307 486 W C 1.829 178.298 176.519 -0.084 0.000 1.200 486 W CA 1.053 58.373 57.345 -0.041 0.000 1.297 486 W CB -0.414 29.025 29.460 -0.034 0.000 1.140 486 W HN 0.139 nan 8.180 nan 0.000 0.507 487 L N 1.206 122.399 121.223 -0.049 0.000 1.978 487 L HA -0.259 4.081 4.340 -0.001 0.000 0.218 487 L C 2.479 179.038 176.870 -0.518 0.000 1.075 487 L CA 2.972 57.627 54.840 -0.309 0.000 0.767 487 L CB -1.543 40.487 42.059 -0.049 0.000 0.890 487 L HN 0.204 nan 8.230 nan 0.000 0.434 488 M N -0.458 118.884 119.600 -0.430 0.000 2.073 488 M HA -0.216 4.264 4.480 -0.001 0.000 0.258 488 M C 2.356 178.303 176.300 -0.588 0.000 1.070 488 M CA 1.871 56.807 55.300 -0.606 0.000 1.103 488 M CB -0.366 31.722 32.600 -0.852 0.000 1.321 488 M HN 0.203 nan 8.290 nan 0.000 0.405 489 R N -1.567 118.674 120.500 -0.432 0.000 2.189 489 R HA -0.033 4.306 4.340 -0.001 0.000 0.218 489 R C 1.814 177.907 176.300 -0.344 0.000 1.074 489 R CA 1.611 57.547 56.100 -0.273 0.000 0.991 489 R CB -0.557 29.684 30.300 -0.099 0.000 0.883 489 R HN 0.443 nan 8.270 nan 0.000 0.457 490 T N 1.205 115.412 114.554 -0.578 0.000 2.978 490 T HA 0.061 4.411 4.350 -0.001 0.000 0.262 490 T C 1.895 176.314 174.700 -0.469 0.000 1.063 490 T CA 0.459 62.191 62.100 -0.614 0.000 1.140 490 T CB 0.085 68.259 68.868 -1.157 0.000 0.886 490 T HN 0.099 nan 8.240 nan 0.000 0.470 491 L N 0.379 121.250 121.223 -0.587 0.000 2.056 491 L HA -0.010 4.329 4.340 -0.001 0.000 0.207 491 L C 2.289 178.910 176.870 -0.415 0.000 1.078 491 L CA 1.123 55.573 54.840 -0.650 0.000 0.749 491 L CB -0.471 40.855 42.059 -1.222 0.000 0.901 491 L HN 0.256 nan 8.230 nan 0.000 0.433 492 I N -0.245 120.147 120.570 -0.297 0.000 2.127 492 I HA -0.331 3.839 4.170 -0.001 0.000 0.241 492 I C 2.129 178.264 176.117 0.030 0.000 1.075 492 I CA 1.408 62.729 61.300 0.036 0.000 1.334 492 I CB -0.476 37.571 38.000 0.078 0.000 1.040 492 I HN 0.228 nan 8.210 nan 0.000 0.405 493 D N 0.881 121.253 120.400 -0.047 0.000 2.087 493 D HA -0.197 4.443 4.640 -0.001 0.000 0.192 493 D C 1.855 178.149 176.300 -0.010 0.000 0.993 493 D CA 1.434 55.417 54.000 -0.028 0.000 0.828 493 D CB -0.538 40.228 40.800 -0.057 0.000 0.968 493 D HN 0.259 nan 8.370 nan 0.000 0.448 494 D N -0.046 120.333 120.400 -0.035 0.000 2.127 494 D HA -0.163 4.477 4.640 -0.001 0.000 0.190 494 D C 2.306 178.669 176.300 0.104 0.000 1.000 494 D CA 0.887 54.895 54.000 0.013 0.000 0.839 494 D CB -0.704 40.090 40.800 -0.011 0.000 0.955 494 D HN 0.212 nan 8.370 nan 0.000 0.446 495 C N 0.830 120.253 119.300 0.204 0.000 2.413 495 C HA -0.102 4.358 4.460 -0.001 0.000 0.276 495 C C 2.880 178.002 174.990 0.220 0.000 1.248 495 C CA 0.927 60.204 59.018 0.433 0.000 1.742 495 C CB -1.105 27.011 27.740 0.627 0.000 2.017 495 C HN 0.402 nan 8.230 nan 0.000 0.481 496 A N 0.211 123.090 122.820 0.098 0.000 1.930 496 A HA 0.118 4.437 4.320 -0.001 0.000 0.217 496 A C 2.346 179.890 177.584 -0.067 0.000 1.175 496 A CA 1.828 53.861 52.037 -0.007 0.000 0.627 496 A CB -0.814 18.176 19.000 -0.017 0.000 0.815 496 A HN 0.583 nan 8.150 nan 0.000 0.443 497 A N -0.023 122.767 122.820 -0.050 0.000 2.024 497 A HA -0.145 4.175 4.320 -0.001 0.000 0.220 497 A C 1.554 179.044 177.584 -0.157 0.000 1.164 497 A CA 1.461 53.453 52.037 -0.076 0.000 0.643 497 A CB -0.425 18.551 19.000 -0.040 0.000 0.806 497 A HN 0.563 nan 8.150 nan 0.000 0.451 498 N N -0.593 117.950 118.700 -0.262 0.000 2.251 498 N HA 0.181 4.920 4.740 -0.001 0.000 0.217 498 N C 0.807 175.820 175.510 -0.829 0.000 1.124 498 N CA 0.696 53.393 53.050 -0.589 0.000 0.843 498 N CB 0.419 38.351 38.487 -0.924 0.000 1.024 498 N HN 0.528 nan 8.380 nan 0.000 0.501 499 G N 1.058 109.593 108.800 -0.442 0.000 2.341 499 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.292 499 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.292 499 G C -0.576 174.156 174.900 -0.280 0.000 1.021 499 G CA -0.007 44.895 45.100 -0.331 0.000 0.905 499 G HN 0.322 nan 8.290 nan 0.000 0.508 500 W N -0.715 120.585 121.300 -0.001 0.000 2.702 500 W HA 0.683 5.343 4.660 -0.001 0.000 0.331 500 W C 0.456 176.963 176.519 -0.021 0.000 1.049 500 W CA -0.875 56.476 57.345 0.011 0.000 1.230 500 W CB 2.023 31.521 29.460 0.064 0.000 1.408 500 W HN 0.454 nan 8.180 nan 0.000 0.492 501 G N 1.310 110.223 108.800 0.188 0.000 2.600 501 G HA2 0.581 4.541 3.960 -0.001 0.000 0.303 501 G HA3 0.581 4.541 3.960 -0.001 0.000 0.303 501 G C -1.211 173.769 174.900 0.132 0.000 1.253 501 G CA -0.570 44.570 45.100 0.067 0.000 0.974 501 G HN 0.167 nan 8.290 nan 0.000 0.483 502 E N -0.529 119.755 120.200 0.140 0.000 2.266 502 E HA 0.284 4.634 4.350 -0.001 0.000 0.277 502 E C 0.065 176.780 176.600 0.191 0.000 1.018 502 E CA -0.760 55.690 56.400 0.083 0.000 0.840 502 E CB 1.232 30.952 29.700 0.033 0.000 1.082 502 E HN 0.550 nan 8.360 nan 0.000 0.395 503 Y N 1.477 121.734 120.300 -0.073 0.000 2.500 503 Y HA 0.366 4.916 4.550 -0.001 0.000 0.270 503 Y C 0.175 176.009 175.900 -0.110 0.000 1.134 503 Y CA 0.011 58.048 58.100 -0.105 0.000 1.293 503 Y CB 0.612 38.937 38.460 -0.226 0.000 1.063 503 Y HN 0.343 nan 8.280 nan 0.000 0.534 504 R N -0.020 120.230 120.500 -0.416 0.000 2.687 504 R HA 0.481 4.821 4.340 -0.001 0.000 0.265 504 R C -1.579 174.601 176.300 -0.200 0.000 1.048 504 R CA 0.171 55.910 56.100 -0.602 0.000 0.884 504 R CB 1.466 30.977 30.300 -1.313 0.000 1.258 504 R HN 0.273 nan 8.270 nan 0.000 0.469 505 T N -0.952 113.529 114.554 -0.121 0.000 2.671 505 T HA 0.297 4.646 4.350 -0.001 0.000 0.300 505 T C -1.159 173.777 174.700 0.393 0.000 1.238 505 T CA -0.907 61.374 62.100 0.302 0.000 1.020 505 T CB 0.988 70.076 68.868 0.367 0.000 1.503 505 T HN 0.583 nan 8.240 nan 0.000 0.497 506 H N 0.410 119.748 119.070 0.448 0.000 2.505 506 H HA 0.401 4.956 4.556 -0.001 0.000 0.351 506 H C 1.288 176.602 175.328 -0.023 0.000 1.151 506 H CA -0.681 55.518 56.048 0.251 0.000 1.339 506 H CB 0.738 30.676 29.762 0.293 0.000 1.483 506 H HN 0.620 nan 8.280 nan 0.000 0.558 507 L N 2.862 123.794 121.223 -0.484 0.000 2.030 507 L HA -0.339 4.001 4.340 -0.001 0.000 0.222 507 L C 2.586 179.247 176.870 -0.347 0.000 1.082 507 L CA 2.068 56.559 54.840 -0.582 0.000 0.785 507 L CB -1.013 40.224 42.059 -1.370 0.000 0.895 507 L HN 0.684 nan 8.230 nan 0.000 0.439 508 A N -1.078 121.582 122.820 -0.267 0.000 2.121 508 A HA -0.107 4.212 4.320 -0.001 0.000 0.218 508 A C 1.596 178.875 177.584 -0.508 0.000 1.154 508 A CA 1.273 53.067 52.037 -0.405 0.000 0.679 508 A CB -0.531 18.081 19.000 -0.647 0.000 0.795 508 A HN 0.441 nan 8.150 nan 0.000 0.458 509 F N -1.735 118.310 119.950 0.157 0.000 2.682 509 F HA 0.310 4.837 4.527 -0.001 0.000 0.308 509 F C 1.886 177.767 175.800 0.135 0.000 1.093 509 F CA -0.321 57.763 58.000 0.140 0.000 1.244 509 F CB -0.468 38.624 39.000 0.153 0.000 1.052 509 F HN 0.046 nan 8.300 nan 0.000 0.573 510 M N 0.201 119.922 119.600 0.201 0.000 2.073 510 M HA -0.251 4.229 4.480 -0.001 0.000 0.258 510 M C 1.790 178.190 176.300 0.167 0.000 1.070 510 M CA 1.941 57.322 55.300 0.136 0.000 1.103 510 M CB -0.483 32.132 32.600 0.026 0.000 1.321 510 M HN 0.090 nan 8.290 nan 0.000 0.405 511 D N -0.063 120.452 120.400 0.191 0.000 2.088 511 D HA -0.218 4.422 4.640 -0.001 0.000 0.191 511 D C 1.892 178.321 176.300 0.215 0.000 0.992 511 D CA 1.451 55.585 54.000 0.223 0.000 0.831 511 D CB -0.650 40.309 40.800 0.265 0.000 0.973 511 D HN 0.469 nan 8.370 nan 0.000 0.447 512 Q N 0.369 120.302 119.800 0.222 0.000 2.047 512 Q HA -0.199 4.140 4.340 -0.001 0.000 0.211 512 Q C 2.536 178.659 176.000 0.206 0.000 1.005 512 Q CA 1.505 57.432 55.803 0.206 0.000 0.866 512 Q CB -0.212 28.662 28.738 0.227 0.000 0.938 512 Q HN 0.319 nan 8.270 nan 0.000 0.414 513 I N 0.018 120.732 120.570 0.241 0.000 2.208 513 I HA -0.306 3.864 4.170 -0.001 0.000 0.245 513 I C 2.526 178.829 176.117 0.311 0.000 1.097 513 I CA 1.201 62.654 61.300 0.255 0.000 1.363 513 I CB -0.334 37.830 38.000 0.274 0.000 1.051 513 I HN 0.427 nan 8.210 nan 0.000 0.413 514 M N 1.114 120.880 119.600 0.276 0.000 2.296 514 M HA -0.187 4.293 4.480 -0.001 0.000 0.265 514 M C 1.892 178.379 176.300 0.312 0.000 1.064 514 M CA 1.659 57.151 55.300 0.321 0.000 1.109 514 M CB -0.395 32.339 32.600 0.223 0.000 1.396 514 M HN 0.032 nan 8.290 nan 0.000 0.430 515 E N -0.929 119.412 120.200 0.234 0.000 2.409 515 E HA -0.114 4.236 4.350 -0.001 0.000 0.198 515 E C 1.592 178.282 176.600 0.150 0.000 1.024 515 E CA 1.478 57.992 56.400 0.191 0.000 0.861 515 E CB -0.461 29.335 29.700 0.161 0.000 0.788 515 E HN 0.499 nan 8.360 nan 0.000 0.521 516 T N -0.644 113.985 114.554 0.124 0.000 2.812 516 T HA -0.092 4.257 4.350 -0.001 0.000 0.264 516 T C -0.018 174.616 174.700 -0.110 0.000 1.042 516 T CA 0.812 62.890 62.100 -0.036 0.000 1.140 516 T CB -0.264 68.542 68.868 -0.103 0.000 0.870 516 T HN 0.213 nan 8.240 nan 0.000 0.445 517 Y N 3.055 123.408 120.300 0.089 0.000 2.930 517 Y HA 0.200 4.750 4.550 -0.001 0.000 0.386 517 Y C 0.953 176.940 175.900 0.145 0.000 1.185 517 Y CA -0.885 57.254 58.100 0.066 0.000 1.922 517 Y CB -0.708 37.730 38.460 -0.036 0.000 2.006 517 Y HN 0.278 nan 8.280 nan 0.000 0.431 518 N N -1.628 117.204 118.700 0.221 0.000 2.251 518 N HA -0.060 4.680 4.740 -0.001 0.000 0.217 518 N C -0.112 175.521 175.510 0.204 0.000 1.124 518 N CA -0.560 52.616 53.050 0.210 0.000 0.843 518 N CB -0.313 38.259 38.487 0.140 0.000 1.024 518 N HN 0.412 nan 8.380 nan 0.000 0.501 519 W N 2.764 124.112 121.300 0.079 0.000 2.582 519 W HA -0.077 4.582 4.660 -0.001 0.000 0.336 519 W C 0.894 177.455 176.519 0.070 0.000 1.152 519 W CA 0.993 58.373 57.345 0.057 0.000 1.347 519 W CB -0.136 29.352 29.460 0.048 0.000 1.173 519 W HN 0.487 nan 8.180 nan 0.000 0.575 520 N N 4.662 122.734 118.700 -1.047 0.000 2.699 520 N HA -0.356 4.384 4.740 -0.001 0.000 0.256 520 N C -0.184 175.122 175.510 -0.340 0.000 0.993 520 N CA 0.900 53.399 53.050 -0.919 0.000 0.759 520 N CB -1.156 36.495 38.487 -1.394 0.000 0.906 520 N HN 0.762 nan 8.380 nan 0.000 0.541 521 N N -0.537 118.048 118.700 -0.193 0.000 2.758 521 N HA -0.170 4.569 4.740 -0.001 0.000 0.248 521 N C -0.180 175.340 175.510 0.016 0.000 1.076 521 N CA 1.366 54.377 53.050 -0.067 0.000 0.696 521 N CB -1.534 36.904 38.487 -0.082 0.000 0.979 521 N HN 0.580 nan 8.380 nan 0.000 0.550 522 S N -2.638 113.108 115.700 0.077 0.000 3.482 522 S HA -0.243 4.226 4.470 -0.001 0.000 0.294 522 S C 1.384 176.098 174.600 0.190 0.000 1.244 522 S CA 1.032 59.330 58.200 0.164 0.000 0.911 522 S CB -1.256 62.036 63.200 0.154 0.000 1.070 522 S HN 0.658 nan 8.310 nan 0.000 0.614 523 S N -0.094 115.706 115.700 0.167 0.000 2.378 523 S HA -0.213 4.256 4.470 -0.001 0.000 0.229 523 S C 1.289 176.055 174.600 0.276 0.000 1.052 523 S CA 2.183 60.495 58.200 0.187 0.000 1.084 523 S CB -0.338 62.972 63.200 0.184 0.000 0.950 523 S HN 0.698 nan 8.310 nan 0.000 0.440 524 F N 1.373 121.438 119.950 0.192 0.000 2.126 524 F HA -0.081 4.445 4.527 -0.001 0.000 0.299 524 F C 1.836 177.746 175.800 0.184 0.000 1.096 524 F CA 1.460 59.572 58.000 0.186 0.000 1.255 524 F CB -0.388 38.709 39.000 0.163 0.000 0.997 524 F HN 0.274 nan 8.300 nan 0.000 0.479 525 L N 0.647 122.012 121.223 0.237 0.000 2.179 525 L HA -0.039 4.301 4.340 -0.001 0.000 0.208 525 L C 2.370 179.281 176.870 0.068 0.000 1.096 525 L CA 1.292 56.192 54.840 0.099 0.000 0.779 525 L CB -0.790 41.392 42.059 0.206 0.000 0.922 525 L HN -0.062 nan 8.230 nan 0.000 0.443 526 R N -0.549 120.025 120.500 0.123 0.000 2.082 526 R HA -0.221 4.118 4.340 -0.001 0.000 0.234 526 R C 2.257 178.599 176.300 0.071 0.000 1.136 526 R CA 2.079 58.242 56.100 0.104 0.000 0.935 526 R CB -1.662 28.707 30.300 0.115 0.000 0.842 526 R HN 0.459 nan 8.270 nan 0.000 0.430 527 F N 2.579 122.495 119.950 -0.056 0.000 2.192 527 F HA -0.222 4.305 4.527 -0.001 0.000 0.301 527 F C 1.939 177.640 175.800 -0.166 0.000 1.079 527 F CA 1.392 59.333 58.000 -0.098 0.000 1.303 527 F CB -0.208 38.737 39.000 -0.093 0.000 1.024 527 F HN 0.011 nan 8.300 nan 0.000 0.494 528 N N 0.724 119.254 118.700 -0.284 0.000 2.106 528 N HA -0.162 4.577 4.740 -0.001 0.000 0.188 528 N C 1.769 177.108 175.510 -0.286 0.000 1.029 528 N CA 1.689 54.505 53.050 -0.389 0.000 0.848 528 N CB -0.352 37.902 38.487 -0.389 0.000 1.007 528 N HN 0.489 nan 8.380 nan 0.000 0.423 529 E N 0.262 120.375 120.200 -0.146 0.000 2.118 529 E HA -0.115 4.235 4.350 -0.001 0.000 0.195 529 E C 2.012 178.547 176.600 -0.108 0.000 0.992 529 E CA 0.768 57.129 56.400 -0.066 0.000 0.804 529 E CB 0.120 29.849 29.700 0.048 0.000 0.741 529 E HN 0.095 nan 8.360 nan 0.000 0.458 530 V N 1.310 121.125 119.914 -0.165 0.000 2.237 530 V HA -0.282 3.837 4.120 -0.001 0.000 0.245 530 V C 2.317 178.270 176.094 -0.235 0.000 1.046 530 V CA 1.669 63.866 62.300 -0.172 0.000 1.007 530 V CB -0.632 31.083 31.823 -0.180 0.000 0.638 530 V HN 0.259 nan 8.190 nan 0.000 0.445 531 L N -0.034 120.950 121.223 -0.398 0.000 2.013 531 L HA -0.264 4.076 4.340 -0.001 0.000 0.212 531 L C 2.629 179.358 176.870 -0.235 0.000 1.073 531 L CA 1.992 56.614 54.840 -0.364 0.000 0.753 531 L CB -0.839 40.925 42.059 -0.492 0.000 0.890 531 L HN 0.304 nan 8.230 nan 0.000 0.432 532 K N 0.746 121.017 120.400 -0.215 0.000 2.020 532 K HA -0.190 4.130 4.320 -0.001 0.000 0.212 532 K C 1.879 178.429 176.600 -0.084 0.000 1.050 532 K CA 1.774 57.975 56.287 -0.143 0.000 0.929 532 K CB -0.396 32.027 32.500 -0.128 0.000 0.714 532 K HN 0.250 nan 8.250 nan 0.000 0.443 533 N N 0.361 119.023 118.700 -0.064 0.000 2.120 533 N HA -0.126 4.613 4.740 -0.001 0.000 0.188 533 N C 1.688 177.179 175.510 -0.032 0.000 1.024 533 N CA 1.416 54.452 53.050 -0.023 0.000 0.852 533 N CB -0.510 37.976 38.487 -0.002 0.000 1.003 533 N HN 0.336 nan 8.380 nan 0.000 0.424 534 A N 1.093 123.879 122.820 -0.056 0.000 1.884 534 A HA -0.179 4.140 4.320 -0.001 0.000 0.219 534 A C 2.369 179.931 177.584 -0.037 0.000 1.197 534 A CA 2.585 54.593 52.037 -0.049 0.000 0.637 534 A CB -1.020 17.938 19.000 -0.071 0.000 0.827 534 A HN 0.260 nan 8.150 nan 0.000 0.450 535 V N -3.318 116.566 119.914 -0.049 0.000 3.306 535 V HA 0.182 4.302 4.120 -0.001 0.000 0.264 535 V C 0.440 176.526 176.094 -0.013 0.000 1.149 535 V CA 1.739 64.022 62.300 -0.029 0.000 1.143 535 V CB -0.061 31.740 31.823 -0.037 0.000 0.767 535 V HN 0.425 nan 8.190 nan 0.000 0.476 536 D N 0.001 120.393 120.400 -0.013 0.000 2.735 536 D HA 0.367 5.006 4.640 -0.001 0.000 0.291 536 D C -1.863 174.450 176.300 0.022 0.000 1.205 536 D CA -1.756 52.248 54.000 0.007 0.000 0.777 536 D CB 1.351 42.151 40.800 -0.000 0.000 1.234 536 D HN 0.165 nan 8.370 nan 0.000 0.520 537 P HA -0.106 nan 4.420 nan 0.000 0.216 537 P C 0.818 178.142 177.300 0.040 0.000 1.153 537 P CA 1.004 64.119 63.100 0.025 0.000 0.858 537 P CB 0.294 32.005 31.700 0.018 0.000 0.789 538 N N -1.114 117.615 118.700 0.049 0.000 2.461 538 N HA 0.054 4.794 4.740 -0.001 0.000 0.188 538 N C 1.006 176.574 175.510 0.097 0.000 1.134 538 N CA 0.983 54.071 53.050 0.063 0.000 0.878 538 N CB -0.714 37.813 38.487 0.067 0.000 0.972 538 N HN 0.123 nan 8.380 nan 0.000 0.456 539 G N 2.068 110.927 108.800 0.099 0.000 2.372 539 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.290 539 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.290 539 G C 0.719 175.713 174.900 0.156 0.000 0.965 539 G CA 0.708 45.886 45.100 0.131 0.000 1.263 539 G HN 0.461 nan 8.290 nan 0.000 0.498 540 I N -2.267 118.368 120.570 0.109 0.000 3.941 540 I HA 0.404 4.574 4.170 -0.001 0.000 0.321 540 I C 0.644 176.812 176.117 0.086 0.000 1.284 540 I CA -0.581 60.796 61.300 0.127 0.000 1.226 540 I CB 0.157 38.248 38.000 0.151 0.000 1.045 540 I HN 0.114 nan 8.210 nan 0.000 0.420 541 I N 3.531 124.119 120.570 0.029 0.000 2.291 541 I HA 0.415 4.585 4.170 -0.001 0.000 0.292 541 I C 1.043 177.109 176.117 -0.085 0.000 1.064 541 I CA -0.729 60.555 61.300 -0.027 0.000 1.269 541 I CB -0.490 37.479 38.000 -0.052 0.000 1.418 541 I HN 0.381 nan 8.210 nan 0.000 0.485 542 A N 8.221 131.008 122.820 -0.055 0.000 2.203 542 A HA -0.130 4.190 4.320 -0.001 0.000 0.279 542 A C -2.118 175.373 177.584 -0.154 0.000 1.396 542 A CA -0.383 51.626 52.037 -0.047 0.000 0.747 542 A CB -1.714 17.059 19.000 -0.378 0.000 1.151 542 A HN 0.533 nan 8.150 nan 0.000 0.345 543 P HA 0.368 nan 4.420 nan 0.000 0.267 543 P C 1.203 177.946 177.300 -0.928 0.000 1.209 543 P CA 1.549 64.298 63.100 -0.585 0.000 0.763 543 P CB 0.875 32.017 31.700 -0.931 0.000 0.816 544 G N 2.021 110.000 108.800 -1.369 0.000 2.234 544 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.235 544 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.235 544 G C 0.269 174.637 174.900 -0.886 0.000 0.997 544 G CA 0.186 44.058 45.100 -2.047 0.000 0.623 544 G HN 0.769 nan 8.290 nan 0.000 0.514 545 K N 1.744 121.880 120.400 -0.440 0.000 2.489 545 K HA 0.429 4.748 4.320 -0.001 0.000 0.278 545 K C 1.231 177.665 176.600 -0.277 0.000 1.000 545 K CA 1.157 57.322 56.287 -0.204 0.000 1.012 545 K CB 0.075 32.440 32.500 -0.225 0.000 0.903 545 K HN 0.970 nan 8.250 nan 0.000 0.485 546 S N 2.506 118.093 115.700 -0.188 0.000 3.419 546 S HA -0.191 4.278 4.470 -0.001 0.000 0.350 546 S C 0.891 175.417 174.600 -0.124 0.000 1.128 546 S CA 1.251 59.365 58.200 -0.143 0.000 0.999 546 S CB -2.215 60.893 63.200 -0.153 0.000 0.923 546 S HN 1.532 nan 8.310 nan 0.000 0.522 547 G N -1.554 107.124 108.800 -0.203 0.000 2.136 547 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.242 547 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.242 547 G C -0.046 174.712 174.900 -0.237 0.000 0.989 547 G CA -0.041 44.973 45.100 -0.143 0.000 0.682 547 G HN 1.243 nan 8.290 nan 0.000 0.522 548 V N 0.026 119.696 119.914 -0.406 0.000 2.370 548 V HA 0.681 4.801 4.120 -0.001 0.000 0.283 548 V C -0.159 175.690 176.094 -0.407 0.000 1.023 548 V CA -0.604 61.530 62.300 -0.277 0.000 0.857 548 V CB 0.832 32.530 31.823 -0.208 0.000 0.985 548 V HN 0.303 nan 8.190 nan 0.000 0.443 549 W N 6.408 127.647 121.300 -0.102 0.000 2.600 549 W HA 0.568 5.228 4.660 -0.001 0.000 0.325 549 W C -2.259 174.277 176.519 0.028 0.000 1.034 549 W CA -2.148 55.139 57.345 -0.097 0.000 1.226 549 W CB 1.705 31.082 29.460 -0.138 0.000 1.379 549 W HN 0.339 nan 8.180 nan 0.000 0.466 550 P HA 0.056 nan 4.420 nan 0.000 0.274 550 P C 0.735 178.221 177.300 0.311 0.000 1.231 550 P CA -0.066 63.178 63.100 0.240 0.000 0.790 550 P CB 1.083 32.902 31.700 0.199 0.000 0.951 551 S N 0.773 116.593 115.700 0.201 0.000 2.419 551 S HA -0.222 4.248 4.470 -0.001 0.000 0.235 551 S C 1.419 176.109 174.600 0.151 0.000 1.019 551 S CA 0.826 59.128 58.200 0.171 0.000 0.982 551 S CB -0.955 62.301 63.200 0.095 0.000 0.789 551 S HN 0.642 nan 8.310 nan 0.000 0.490 552 Q N 0.137 120.010 119.800 0.121 0.000 2.431 552 Q HA 0.040 4.380 4.340 -0.001 0.000 0.210 552 Q C -0.752 175.174 176.000 -0.124 0.000 0.958 552 Q CA 0.387 56.186 55.803 -0.006 0.000 0.957 552 Q CB -0.742 27.951 28.738 -0.075 0.000 1.007 552 Q HN 0.707 nan 8.270 nan 0.000 0.511 553 Y N 1.983 122.358 120.300 0.126 0.000 2.805 553 Y HA 0.184 4.734 4.550 -0.001 0.000 0.339 553 Y C 0.125 176.137 175.900 0.187 0.000 1.012 553 Y CA -0.971 57.196 58.100 0.112 0.000 1.262 553 Y CB 0.978 39.371 38.460 -0.111 0.000 1.100 553 Y HN 0.098 nan 8.280 nan 0.000 0.559 554 S N 0.084 115.970 115.700 0.309 0.000 2.593 554 S HA -0.124 4.346 4.470 -0.001 0.000 0.300 554 S C 0.833 175.560 174.600 0.212 0.000 1.267 554 S CA -0.098 58.230 58.200 0.214 0.000 1.065 554 S CB 0.470 63.724 63.200 0.090 0.000 0.807 554 S HN 0.646 nan 8.310 nan 0.000 0.499 555 H N 2.955 121.992 119.070 -0.055 0.000 2.352 555 H HA -0.041 4.515 4.556 -0.001 0.000 0.299 555 H C 2.046 177.314 175.328 -0.100 0.000 1.097 555 H CA 1.421 57.387 56.048 -0.137 0.000 1.311 555 H CB -0.828 28.911 29.762 -0.038 0.000 1.377 555 H HN 0.486 nan 8.280 nan 0.000 0.504 556 V N 0.246 120.208 119.914 0.081 0.000 2.282 556 V HA -0.306 3.814 4.120 -0.001 0.000 0.249 556 V C 2.286 178.334 176.094 -0.076 0.000 1.057 556 V CA 2.495 64.798 62.300 0.004 0.000 1.032 556 V CB -0.768 31.049 31.823 -0.011 0.000 0.645 556 V HN 0.535 nan 8.190 nan 0.000 0.447 557 T N -1.877 112.592 114.554 -0.141 0.000 2.812 557 T HA -0.179 4.170 4.350 -0.001 0.000 0.264 557 T C 1.456 175.869 174.700 -0.479 0.000 1.042 557 T CA 1.755 63.644 62.100 -0.352 0.000 1.140 557 T CB -0.287 68.294 68.868 -0.478 0.000 0.870 557 T HN 0.627 nan 8.240 nan 0.000 0.445 558 W N 1.461 122.605 121.300 -0.261 0.000 2.683 558 W HA 0.300 4.959 4.660 -0.000 0.000 0.267 558 W C 0.723 177.092 176.519 -0.251 0.000 1.243 558 W CA -0.627 56.493 57.345 -0.374 0.000 1.380 558 W CB 0.145 28.981 29.460 -1.041 0.000 1.063 558 W HN -0.056 nan 8.180 nan 0.000 0.599 559 K N 1.510 121.878 120.400 -0.054 0.000 2.355 559 K HA 0.311 4.631 4.320 -0.001 0.000 0.270 559 K C -0.284 176.419 176.600 0.171 0.000 1.003 559 K CA 0.168 56.539 56.287 0.141 0.000 0.957 559 K CB 0.625 33.190 32.500 0.109 0.000 0.939 559 K HN -0.108 nan 8.250 nan 0.000 0.482 560 L N 0.000 121.351 121.223 0.214 0.000 2.949 560 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 560 L CA 0.000 54.927 54.840 0.145 0.000 0.813 560 L CB 0.000 42.113 42.059 0.089 0.000 0.961 560 L HN 0.000 nan 8.230 nan 0.000 0.502