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 3ff3_1_A DATA FIRST_RESID 46 DATA SEQUENCE SIRWKLVSEM KAENIKSFLR SFTKLPHLAG TEQNFLLAKK IQTQWKKFGL DATA SEQUENCE DSAKLVHYDV LLSYPNETNA NYISIVDEHE TEIFKTSXXX XPPDGYENVT DATA SEQUENCE NIVPPYNAFS AQGMPEGDLV YVNYARTEDF FKLEREMGIN CTGKIVIARY DATA SEQUENCE GKIFRGNKVK NAMLAGAIGI ILYSDPADYF APEVQPYPKG WNLPGTAAQR DATA SEQUENCE GNVLNLNGAG DPLTPGYPAK EYTFRLDVEE GVGIPRIPVH PIGYNDAEIL DATA SEQUENCE LRYLGGIAPP DKSWKGALNV SYSIGPGFTG SXSFRKVRMH VYNINKITRI DATA SEQUENCE YNVVGTIRGS VEPDRYVILG GHRDSWVFGA IDPTSGVAVL QEIARSFGKL DATA SEQUENCE MSKGWRPRRT IIFASWDAEE FGLLGSTEWA EENVKILQER SIAYINSDSS DATA SEQUENCE IEGNYTLRVD CTPLLYQLVY KLTKEIPSPD DGFESKSLYE SWLEKDPSPE DATA SEQUENCE NKNLPRINKL GSGSDFEAYF QRLGIASGRA RYTKNKKTDK YSSYPVYHTI DATA SEQUENCE YETFELVEKF YDPTFKKQLS VAQLRGALVY ELVDSKIIPF NIQDYAEALK DATA SEQUENCE NYAASIYNLS KKHDQQLTDH GVSFDSLFSA VKNFSEAASD FHKRLIQVDL DATA SEQUENCE NNPIAVRMMN DQLMLLERAF IDPLGLPGKL FYRHIIFAPS SHNKYAGESF DATA SEQUENCE PGIYDAIFDI ENKANSRLAW KEVKKHISIA AFTIQAAAGT LKEV 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 46 S HA 0.000 nan 4.470 nan 0.000 0.327 46 S C 0.000 174.614 174.600 0.023 0.000 1.055 46 S CA 0.000 58.226 58.200 0.044 0.000 1.107 46 S CB 0.000 63.228 63.200 0.047 0.000 0.593 47 I N 1.276 121.806 120.570 -0.068 0.000 2.226 47 I HA -0.100 4.071 4.170 0.002 0.000 0.245 47 I C 2.818 178.593 176.117 -0.570 0.000 1.100 47 I CA 1.659 62.786 61.300 -0.287 0.000 1.374 47 I CB -1.141 36.690 38.000 -0.282 0.000 1.057 47 I HN 0.849 nan 8.210 nan 0.000 0.413 48 R N 0.043 120.176 120.500 -0.612 0.000 2.083 48 R HA -0.258 4.083 4.340 0.002 0.000 0.237 48 R C 2.398 178.508 176.300 -0.317 0.000 1.137 48 R CA 2.177 57.889 56.100 -0.648 0.000 0.951 48 R CB -0.544 29.591 30.300 -0.275 0.000 0.851 48 R HN 0.437 nan 8.270 nan 0.000 0.434 49 W N 1.745 122.880 121.300 -0.275 0.000 2.363 49 W HA -0.154 4.507 4.660 0.002 0.000 0.296 49 W C 1.749 178.134 176.519 -0.224 0.000 1.212 49 W CA 1.556 58.782 57.345 -0.198 0.000 1.260 49 W CB 0.066 29.448 29.460 -0.129 0.000 1.131 49 W HN 0.002 nan 8.180 nan 0.000 0.530 50 K N -0.149 120.153 120.400 -0.163 0.000 2.057 50 K HA -0.211 4.110 4.320 0.002 0.000 0.207 50 K C 1.944 178.233 176.600 -0.517 0.000 1.049 50 K CA 1.613 57.691 56.287 -0.347 0.000 0.931 50 K CB -0.753 31.650 32.500 -0.161 0.000 0.714 50 K HN 0.181 nan 8.250 nan 0.000 0.440 51 L N 0.831 121.718 121.223 -0.560 0.000 2.017 51 L HA -0.170 4.171 4.340 0.002 0.000 0.208 51 L C 2.023 178.574 176.870 -0.533 0.000 1.073 51 L CA 1.498 55.967 54.840 -0.620 0.000 0.745 51 L CB -0.260 41.330 42.059 -0.780 0.000 0.894 51 L HN -0.097 nan 8.230 nan 0.000 0.432 52 V N -1.063 118.546 119.914 -0.509 0.000 2.307 52 V HA -0.212 3.910 4.120 0.002 0.000 0.245 52 V C 2.472 178.277 176.094 -0.481 0.000 1.045 52 V CA 1.883 63.930 62.300 -0.421 0.000 1.024 52 V CB -0.407 31.212 31.823 -0.340 0.000 0.651 52 V HN 0.498 nan 8.190 nan 0.000 0.449 53 S N -0.497 114.754 115.700 -0.749 0.000 2.453 53 S HA -0.150 4.322 4.470 0.002 0.000 0.231 53 S C 1.921 176.218 174.600 -0.504 0.000 1.005 53 S CA 1.121 58.862 58.200 -0.765 0.000 0.949 53 S CB -0.163 62.156 63.200 -1.467 0.000 0.774 53 S HN 0.651 nan 8.310 nan 0.000 0.510 54 E N 1.503 121.426 120.200 -0.461 0.000 2.208 54 E HA 0.039 4.390 4.350 0.002 0.000 0.193 54 E C 0.442 176.894 176.600 -0.248 0.000 0.988 54 E CA 0.515 56.724 56.400 -0.320 0.000 0.828 54 E CB -0.254 29.262 29.700 -0.307 0.000 0.763 54 E HN 0.469 nan 8.360 nan 0.000 0.478 55 M N 1.465 120.913 119.600 -0.254 0.000 2.239 55 M HA 0.126 4.607 4.480 0.002 0.000 0.348 55 M C -0.218 176.002 176.300 -0.134 0.000 1.239 55 M CA 0.424 55.620 55.300 -0.174 0.000 1.114 55 M CB 0.703 33.205 32.600 -0.163 0.000 1.641 55 M HN -0.251 nan 8.290 nan 0.000 0.453 56 K N 1.502 121.849 120.400 -0.089 0.000 2.378 56 K HA 0.469 4.791 4.320 0.002 0.000 0.252 56 K C 0.264 176.843 176.600 -0.036 0.000 0.931 56 K CA -0.400 55.843 56.287 -0.074 0.000 0.794 56 K CB 1.789 34.235 32.500 -0.090 0.000 1.181 56 K HN 0.758 nan 8.250 nan 0.000 0.425 57 A N 1.719 124.530 122.820 -0.016 0.000 1.908 57 A HA -0.225 4.096 4.320 0.002 0.000 0.218 57 A C 1.894 179.457 177.584 -0.036 0.000 1.181 57 A CA 2.166 54.229 52.037 0.043 0.000 0.627 57 A CB -0.231 18.814 19.000 0.075 0.000 0.818 57 A HN 0.769 nan 8.150 nan 0.000 0.445 58 E N 0.584 120.727 120.200 -0.094 0.000 2.204 58 E HA -0.121 4.231 4.350 0.002 0.000 0.194 58 E C 1.628 178.091 176.600 -0.228 0.000 0.989 58 E CA 1.682 57.975 56.400 -0.178 0.000 0.824 58 E CB -0.601 29.013 29.700 -0.143 0.000 0.756 58 E HN 0.783 nan 8.360 nan 0.000 0.477 59 N N -0.470 118.124 118.700 -0.177 0.000 2.171 59 N HA -0.056 4.686 4.740 0.002 0.000 0.184 59 N C 1.775 177.199 175.510 -0.143 0.000 1.021 59 N CA 1.192 54.094 53.050 -0.247 0.000 0.854 59 N CB -0.081 38.318 38.487 -0.146 0.000 0.994 59 N HN 0.175 nan 8.380 nan 0.000 0.426 60 I N 1.378 121.975 120.570 0.046 0.000 2.286 60 I HA -0.268 3.903 4.170 0.002 0.000 0.248 60 I C 2.489 178.631 176.117 0.043 0.000 1.115 60 I CA 1.071 62.497 61.300 0.210 0.000 1.392 60 I CB -0.171 37.981 38.000 0.254 0.000 1.065 60 I HN 0.149 nan 8.210 nan 0.000 0.418 61 K N 0.575 120.755 120.400 -0.367 0.000 2.026 61 K HA -0.217 4.104 4.320 0.002 0.000 0.208 61 K C 2.377 178.791 176.600 -0.311 0.000 1.048 61 K CA 1.877 57.678 56.287 -0.811 0.000 0.929 61 K CB -0.128 31.619 32.500 -1.255 0.000 0.713 61 K HN 0.130 nan 8.250 nan 0.000 0.439 62 S N -0.407 115.082 115.700 -0.352 0.000 2.368 62 S HA -0.106 4.365 4.470 0.002 0.000 0.224 62 S C 1.755 176.106 174.600 -0.416 0.000 1.029 62 S CA 0.929 58.893 58.200 -0.394 0.000 0.988 62 S CB -0.362 62.562 63.200 -0.459 0.000 0.838 62 S HN 0.335 nan 8.310 nan 0.000 0.462 63 F N 1.430 121.199 119.950 -0.302 0.000 2.095 63 F HA -0.001 4.528 4.527 0.002 0.000 0.298 63 F C 2.122 177.584 175.800 -0.565 0.000 1.104 63 F CA 0.986 58.667 58.000 -0.530 0.000 1.232 63 F CB -1.065 37.795 39.000 -0.233 0.000 0.987 63 F HN 0.250 nan 8.300 nan 0.000 0.475 64 L N 0.418 121.685 121.223 0.073 0.000 2.042 64 L HA -0.196 4.145 4.340 0.002 0.000 0.210 64 L C 2.547 179.478 176.870 0.102 0.000 1.076 64 L CA 1.699 56.685 54.840 0.243 0.000 0.749 64 L CB -0.680 41.676 42.059 0.496 0.000 0.893 64 L HN 0.008 nan 8.230 nan 0.000 0.432 65 R N -0.110 120.264 120.500 -0.209 0.000 2.081 65 R HA -0.146 4.196 4.340 0.002 0.000 0.235 65 R C 2.460 178.556 176.300 -0.340 0.000 1.131 65 R CA 1.899 57.595 56.100 -0.674 0.000 0.960 65 R CB -0.915 28.771 30.300 -1.023 0.000 0.856 65 R HN 0.662 nan 8.270 nan 0.000 0.436 66 S N -1.081 114.405 115.700 -0.356 0.000 2.481 66 S HA -0.042 4.429 4.470 0.002 0.000 0.231 66 S C 1.112 175.672 174.600 -0.067 0.000 0.996 66 S CA 0.585 58.614 58.200 -0.284 0.000 0.942 66 S CB -0.252 62.699 63.200 -0.414 0.000 0.768 66 S HN 0.288 nan 8.310 nan 0.000 0.520 67 F N 2.375 122.333 119.950 0.013 0.000 2.695 67 F HA 0.331 4.859 4.527 0.002 0.000 0.303 67 F C 1.699 177.521 175.800 0.037 0.000 1.091 67 F CA -0.249 57.734 58.000 -0.027 0.000 1.300 67 F CB -0.222 38.748 39.000 -0.051 0.000 1.071 67 F HN 0.414 nan 8.300 nan 0.000 0.578 68 T N -4.875 109.850 114.554 0.286 0.000 3.231 68 T HA 0.187 4.539 4.350 0.002 0.000 0.292 68 T C 1.328 176.225 174.700 0.329 0.000 1.001 68 T CA -0.249 62.076 62.100 0.374 0.000 0.920 68 T CB 0.007 69.100 68.868 0.375 0.000 1.140 68 T HN 0.039 nan 8.240 nan 0.000 0.525 69 K N 0.638 121.197 120.400 0.264 0.000 2.228 69 K HA 0.306 4.627 4.320 0.002 0.000 0.202 69 K C 0.339 177.192 176.600 0.421 0.000 1.051 69 K CA 0.643 57.082 56.287 0.253 0.000 0.960 69 K CB 0.133 32.706 32.500 0.122 0.000 0.743 69 K HN 0.387 nan 8.250 nan 0.000 0.458 70 L N 0.355 121.880 121.223 0.504 0.000 2.376 70 L HA 0.392 4.733 4.340 0.002 0.000 0.258 70 L C -2.631 174.544 176.870 0.508 0.000 1.013 70 L CA -2.760 52.399 54.840 0.531 0.000 0.822 70 L CB 2.056 44.293 42.059 0.298 0.000 1.388 70 L HN -0.252 nan 8.230 nan 0.000 0.413 71 P HA 0.126 nan 4.420 nan 0.000 0.269 71 P C -1.274 176.117 177.300 0.151 0.000 1.215 71 P CA 0.068 63.133 63.100 -0.058 0.000 0.780 71 P CB 0.185 31.758 31.700 -0.213 0.000 0.898 72 H N -0.381 118.699 119.070 0.017 0.000 2.597 72 H HA 0.469 5.027 4.556 0.002 0.000 0.225 72 H C -0.624 174.723 175.328 0.031 0.000 1.422 72 H CA -0.978 55.093 56.048 0.038 0.000 1.335 72 H CB -0.709 29.078 29.762 0.042 0.000 1.783 72 H HN 0.096 nan 8.280 nan 0.000 0.513 73 L N 1.946 123.180 121.223 0.017 0.000 2.456 73 L HA 0.480 4.822 4.340 0.002 0.000 0.272 73 L C 0.521 177.466 176.870 0.126 0.000 1.189 73 L CA 0.047 54.914 54.840 0.046 0.000 0.846 73 L CB 0.234 42.384 42.059 0.153 0.000 1.111 73 L HN 0.702 nan 8.230 nan 0.000 0.475 74 A N 3.765 126.663 122.820 0.130 0.000 2.531 74 A HA 0.442 4.763 4.320 0.002 0.000 0.236 74 A C 1.325 178.963 177.584 0.091 0.000 1.062 74 A CA 0.399 52.495 52.037 0.098 0.000 0.760 74 A CB -0.670 18.343 19.000 0.021 0.000 0.995 74 A HN 1.937 nan 8.150 nan 0.000 0.501 75 G N 1.258 110.127 108.800 0.114 0.000 2.179 75 G HA2 -0.161 3.801 3.960 0.002 0.000 0.260 75 G HA3 -0.161 3.801 3.960 0.002 0.000 0.260 75 G C 0.509 175.475 174.900 0.109 0.000 0.977 75 G CA 1.235 46.409 45.100 0.123 0.000 0.641 75 G HN 2.179 nan 8.290 nan 0.000 0.533 76 T N -2.569 112.053 114.554 0.114 0.000 2.944 76 T HA 0.684 5.035 4.350 0.002 0.000 0.284 76 T C 0.997 175.757 174.700 0.101 0.000 1.010 76 T CA 0.468 62.603 62.100 0.058 0.000 1.025 76 T CB 2.301 71.196 68.868 0.045 0.000 1.079 76 T HN 0.104 nan 8.240 nan 0.000 0.516 77 E N 0.428 120.668 120.200 0.066 0.000 2.085 77 E HA -0.217 4.134 4.350 0.002 0.000 0.194 77 E C 2.090 178.776 176.600 0.143 0.000 0.994 77 E CA 1.654 58.117 56.400 0.104 0.000 0.801 77 E CB -0.354 29.381 29.700 0.058 0.000 0.743 77 E HN 0.744 nan 8.360 nan 0.000 0.453 78 Q N 0.178 120.043 119.800 0.109 0.000 2.124 78 Q HA -0.112 4.229 4.340 0.002 0.000 0.202 78 Q C 1.676 177.736 176.000 0.100 0.000 0.977 78 Q CA 1.843 57.708 55.803 0.103 0.000 0.850 78 Q CB -0.410 28.401 28.738 0.121 0.000 0.901 78 Q HN 0.275 nan 8.270 nan 0.000 0.429 79 N N -1.043 117.743 118.700 0.143 0.000 2.409 79 N HA -0.076 4.666 4.740 0.002 0.000 0.179 79 N C 1.020 176.587 175.510 0.096 0.000 1.032 79 N CA 0.540 53.670 53.050 0.132 0.000 0.898 79 N CB -0.173 38.426 38.487 0.185 0.000 0.971 79 N HN 0.333 nan 8.380 nan 0.000 0.441 80 F N 0.703 120.631 119.950 -0.036 0.000 2.163 80 F HA 0.099 4.627 4.527 0.002 0.000 0.297 80 F C 1.672 177.353 175.800 -0.198 0.000 1.094 80 F CA 0.951 58.842 58.000 -0.181 0.000 1.290 80 F CB -0.298 38.540 39.000 -0.270 0.000 1.017 80 F HN -0.019 nan 8.300 nan 0.000 0.483 81 L N -0.127 120.970 121.223 -0.210 0.000 2.042 81 L HA -0.221 4.120 4.340 0.002 0.000 0.210 81 L C 2.453 179.136 176.870 -0.311 0.000 1.076 81 L CA 1.078 55.740 54.840 -0.296 0.000 0.749 81 L CB -0.907 41.098 42.059 -0.089 0.000 0.893 81 L HN 0.300 nan 8.230 nan 0.000 0.432 82 L N 0.203 121.283 121.223 -0.238 0.000 2.083 82 L HA -0.126 4.216 4.340 0.002 0.000 0.209 82 L C 2.632 179.261 176.870 -0.402 0.000 1.083 82 L CA 1.936 56.595 54.840 -0.302 0.000 0.752 82 L CB -0.741 41.130 42.059 -0.312 0.000 0.899 82 L HN 0.139 nan 8.230 nan 0.000 0.433 83 A N -0.568 122.021 122.820 -0.386 0.000 1.908 83 A HA -0.196 4.125 4.320 0.002 0.000 0.218 83 A C 2.234 179.511 177.584 -0.511 0.000 1.181 83 A CA 1.746 53.528 52.037 -0.426 0.000 0.627 83 A CB -0.501 18.304 19.000 -0.326 0.000 0.818 83 A HN 0.392 nan 8.150 nan 0.000 0.445 84 K N -0.006 120.039 120.400 -0.591 0.000 2.097 84 K HA -0.124 4.197 4.320 0.002 0.000 0.205 84 K C 1.978 178.346 176.600 -0.387 0.000 1.050 84 K CA 1.579 57.557 56.287 -0.514 0.000 0.938 84 K CB -0.383 31.768 32.500 -0.581 0.000 0.718 84 K HN 0.654 nan 8.250 nan 0.000 0.442 85 K N 1.065 121.259 120.400 -0.344 0.000 2.026 85 K HA -0.067 4.255 4.320 0.002 0.000 0.208 85 K C 2.186 178.594 176.600 -0.320 0.000 1.048 85 K CA 1.025 57.167 56.287 -0.242 0.000 0.929 85 K CB -0.091 32.333 32.500 -0.126 0.000 0.713 85 K HN -0.000 nan 8.250 nan 0.000 0.439 86 I N 1.102 121.381 120.570 -0.485 0.000 2.226 86 I HA -0.305 3.866 4.170 0.002 0.000 0.245 86 I C 2.837 178.405 176.117 -0.914 0.000 1.100 86 I CA 1.357 62.221 61.300 -0.726 0.000 1.374 86 I CB -0.331 37.138 38.000 -0.886 0.000 1.057 86 I HN 0.426 nan 8.210 nan 0.000 0.413 87 Q N 0.561 119.927 119.800 -0.724 0.000 2.061 87 Q HA -0.221 4.121 4.340 0.002 0.000 0.204 87 Q C 2.115 177.913 176.000 -0.338 0.000 0.984 87 Q CA 2.432 57.919 55.803 -0.526 0.000 0.846 87 Q CB -0.057 28.461 28.738 -0.366 0.000 0.902 87 Q HN 0.415 nan 8.270 nan 0.000 0.421 88 T N 0.986 115.356 114.554 -0.308 0.000 2.746 88 T HA -0.180 4.171 4.350 0.002 0.000 0.267 88 T C 1.728 176.256 174.700 -0.286 0.000 1.039 88 T CA 1.602 63.565 62.100 -0.228 0.000 1.142 88 T CB -0.153 68.601 68.868 -0.190 0.000 0.866 88 T HN 0.415 nan 8.240 nan 0.000 0.444 89 Q N -0.507 119.058 119.800 -0.392 0.000 2.050 89 Q HA -0.120 4.222 4.340 0.002 0.000 0.202 89 Q C 2.251 177.671 176.000 -0.967 0.000 0.980 89 Q CA 1.348 56.750 55.803 -0.667 0.000 0.840 89 Q CB -0.170 28.253 28.738 -0.524 0.000 0.898 89 Q HN 0.557 nan 8.270 nan 0.000 0.424 90 W N 1.456 122.328 121.300 -0.713 0.000 2.342 90 W HA -0.119 4.542 4.660 0.002 0.000 0.297 90 W C 1.920 178.247 176.519 -0.320 0.000 1.213 90 W CA 0.746 57.801 57.345 -0.483 0.000 1.251 90 W CB -0.510 28.771 29.460 -0.297 0.000 1.136 90 W HN 0.151 nan 8.180 nan 0.000 0.526 91 K N 0.261 120.637 120.400 -0.040 0.000 2.057 91 K HA -0.188 4.133 4.320 0.002 0.000 0.206 91 K C 2.021 178.597 176.600 -0.040 0.000 1.050 91 K CA 1.566 57.839 56.287 -0.025 0.000 0.935 91 K CB -0.424 32.053 32.500 -0.039 0.000 0.715 91 K HN 0.035 nan 8.250 nan 0.000 0.439 92 K N 0.511 120.834 120.400 -0.128 0.000 2.103 92 K HA -0.145 4.176 4.320 0.002 0.000 0.207 92 K C 1.707 178.370 176.600 0.105 0.000 1.048 92 K CA 1.329 57.584 56.287 -0.054 0.000 0.930 92 K CB -0.053 32.378 32.500 -0.114 0.000 0.716 92 K HN -0.027 nan 8.250 nan 0.000 0.444 93 F N 0.146 120.132 119.950 0.059 0.000 2.451 93 F HA 0.120 4.648 4.527 0.002 0.000 0.299 93 F C 1.739 177.552 175.800 0.023 0.000 1.101 93 F CA 1.060 59.083 58.000 0.038 0.000 1.436 93 F CB -0.465 38.541 39.000 0.010 0.000 1.074 93 F HN 0.396 nan 8.300 nan 0.000 0.553 94 G N -0.174 108.733 108.800 0.177 0.000 2.138 94 G HA2 -0.224 3.737 3.960 0.002 0.000 0.193 94 G HA3 -0.224 3.737 3.960 0.002 0.000 0.193 94 G C 0.046 174.994 174.900 0.080 0.000 0.998 94 G CA -0.427 44.742 45.100 0.115 0.000 0.668 94 G HN 0.160 nan 8.290 nan 0.000 0.516 95 L N 1.076 122.324 121.223 0.041 0.000 2.483 95 L HA 0.289 4.631 4.340 0.002 0.000 0.275 95 L C 1.619 178.503 176.870 0.024 0.000 1.220 95 L CA 0.645 55.474 54.840 -0.018 0.000 0.833 95 L CB 0.447 42.422 42.059 -0.141 0.000 1.102 95 L HN 0.120 nan 8.230 nan 0.000 0.490 96 D N -0.528 119.888 120.400 0.028 0.000 2.224 96 D HA -0.024 4.617 4.640 0.002 0.000 0.205 96 D C 0.416 176.743 176.300 0.045 0.000 0.965 96 D CA 1.071 55.093 54.000 0.037 0.000 0.852 96 D CB 0.211 41.032 40.800 0.035 0.000 0.947 96 D HN 0.569 nan 8.370 nan 0.000 0.494 97 S N -1.311 114.421 115.700 0.053 0.000 2.550 97 S HA 0.741 5.212 4.470 0.002 0.000 0.270 97 S C -1.346 173.321 174.600 0.112 0.000 1.145 97 S CA -0.822 57.423 58.200 0.074 0.000 0.852 97 S CB 2.781 66.029 63.200 0.079 0.000 1.119 97 S HN 0.080 nan 8.310 nan 0.000 0.465 98 A N 1.946 124.844 122.820 0.130 0.000 2.604 98 A HA 0.665 4.986 4.320 0.002 0.000 0.285 98 A C -0.957 176.690 177.584 0.105 0.000 1.095 98 A CA -0.780 51.382 52.037 0.208 0.000 0.842 98 A CB 0.657 19.815 19.000 0.263 0.000 1.385 98 A HN 0.697 nan 8.150 nan 0.000 0.404 99 K N 1.400 121.868 120.400 0.114 0.000 2.318 99 K HA 0.675 4.996 4.320 0.002 0.000 0.249 99 K C -1.203 175.444 176.600 0.079 0.000 0.942 99 K CA -0.960 55.380 56.287 0.088 0.000 0.808 99 K CB 2.242 34.813 32.500 0.118 0.000 1.189 99 K HN 0.427 nan 8.250 nan 0.000 0.428 100 L N 2.129 123.405 121.223 0.089 0.000 2.305 100 L HA 0.252 4.594 4.340 0.002 0.000 0.281 100 L C -0.627 176.364 176.870 0.202 0.000 1.085 100 L CA -0.207 54.726 54.840 0.155 0.000 0.813 100 L CB 1.435 43.616 42.059 0.204 0.000 1.157 100 L HN 0.309 nan 8.230 nan 0.000 0.436 101 V N 3.712 123.743 119.914 0.195 0.000 2.407 101 V HA 0.402 4.524 4.120 0.002 0.000 0.291 101 V C -0.157 175.907 176.094 -0.051 0.000 1.018 101 V CA -0.777 61.568 62.300 0.075 0.000 0.842 101 V CB 1.118 33.075 31.823 0.224 0.000 0.996 101 V HN 0.833 nan 8.190 nan 0.000 0.426 102 H N 3.528 122.443 119.070 -0.258 0.000 2.567 102 H HA 0.755 5.312 4.556 0.002 0.000 0.345 102 H C -1.936 172.911 175.328 -0.802 0.000 1.169 102 H CA -0.771 55.017 56.048 -0.433 0.000 1.227 102 H CB 2.084 31.597 29.762 -0.416 0.000 1.607 102 H HN 0.464 nan 8.280 nan 0.000 0.534 103 Y N -0.681 119.643 120.300 0.039 0.000 2.588 103 Y HA 0.233 4.785 4.550 0.002 0.000 0.343 103 Y C -0.677 175.212 175.900 -0.019 0.000 1.065 103 Y CA -1.071 57.036 58.100 0.013 0.000 1.038 103 Y CB 2.056 40.515 38.460 -0.002 0.000 1.297 103 Y HN 0.594 nan 8.280 nan 0.000 0.467 104 D N 2.352 122.829 120.400 0.130 0.000 2.453 104 D HA 0.469 5.110 4.640 0.002 0.000 0.238 104 D C -0.911 175.403 176.300 0.023 0.000 1.088 104 D CA -0.073 53.945 54.000 0.030 0.000 0.854 104 D CB 1.698 42.499 40.800 0.001 0.000 1.076 104 D HN 0.395 nan 8.370 nan 0.000 0.533 105 V N -0.361 119.560 119.914 0.010 0.000 2.960 105 V HA 0.550 4.672 4.120 0.002 0.000 0.315 105 V C -0.265 175.831 176.094 0.003 0.000 1.087 105 V CA -1.202 61.097 62.300 -0.002 0.000 0.982 105 V CB 2.139 33.960 31.823 -0.004 0.000 1.039 105 V HN 0.253 nan 8.190 nan 0.000 0.437 106 L N 2.898 124.140 121.223 0.032 0.000 2.418 106 L HA 0.477 4.819 4.340 0.002 0.000 0.274 106 L C -0.340 176.644 176.870 0.191 0.000 1.135 106 L CA 0.765 55.669 54.840 0.107 0.000 0.870 106 L CB -0.374 41.774 42.059 0.149 0.000 1.154 106 L HN 0.688 nan 8.230 nan 0.000 0.462 107 L N 3.315 124.530 121.223 -0.013 0.000 2.260 107 L HA 0.710 5.051 4.340 0.002 0.000 0.265 107 L C -0.186 176.393 176.870 -0.485 0.000 1.015 107 L CA -0.842 53.781 54.840 -0.362 0.000 0.826 107 L CB 1.933 43.503 42.059 -0.814 0.000 1.373 107 L HN 0.590 nan 8.230 nan 0.000 0.450 108 S N -0.636 114.602 115.700 -0.770 0.000 2.572 108 S HA 0.716 5.187 4.470 0.002 0.000 0.274 108 S C -1.774 172.619 174.600 -0.345 0.000 1.150 108 S CA -0.350 57.548 58.200 -0.503 0.000 0.944 108 S CB 0.898 63.631 63.200 -0.779 0.000 1.071 108 S HN 0.387 nan 8.310 nan 0.000 0.479 109 Y N 1.924 122.241 120.300 0.029 0.000 2.588 109 Y HA 0.539 5.090 4.550 0.002 0.000 0.343 109 Y C -2.532 173.162 175.900 -0.344 0.000 1.065 109 Y CA -2.056 55.940 58.100 -0.174 0.000 1.038 109 Y CB 1.505 39.907 38.460 -0.097 0.000 1.297 109 Y HN 0.445 nan 8.280 nan 0.000 0.467 110 P HA -0.003 nan 4.420 nan 0.000 0.270 110 P C -0.657 176.600 177.300 -0.073 0.000 1.223 110 P CA -0.199 62.751 63.100 -0.250 0.000 0.785 110 P CB 0.553 32.082 31.700 -0.286 0.000 0.923 111 N N 1.653 120.345 118.700 -0.012 0.000 2.408 111 N HA 0.012 4.753 4.740 0.002 0.000 0.257 111 N C 0.659 176.172 175.510 0.005 0.000 1.064 111 N CA 0.121 53.178 53.050 0.012 0.000 0.952 111 N CB 0.228 38.745 38.487 0.050 0.000 1.093 111 N HN 0.288 nan 8.380 nan 0.000 0.490 112 E N 1.020 121.212 120.200 -0.014 0.000 2.265 112 E HA -0.124 4.227 4.350 0.002 0.000 0.196 112 E C 0.662 177.261 176.600 -0.000 0.000 0.996 112 E CA 1.286 57.677 56.400 -0.014 0.000 0.832 112 E CB 0.180 29.862 29.700 -0.029 0.000 0.756 112 E HN 0.757 nan 8.360 nan 0.000 0.491 113 T N -2.290 112.267 114.554 0.005 0.000 3.129 113 T HA 0.145 4.496 4.350 0.002 0.000 0.267 113 T C 0.272 174.984 174.700 0.020 0.000 1.018 113 T CA -0.501 61.603 62.100 0.006 0.000 0.903 113 T CB 0.198 69.063 68.868 -0.004 0.000 1.067 113 T HN -0.148 nan 8.240 nan 0.000 0.549 114 N N 1.538 120.266 118.700 0.047 0.000 2.725 114 N HA 0.519 5.260 4.740 0.002 0.000 0.248 114 N C -0.598 175.007 175.510 0.158 0.000 1.402 114 N CA -0.297 52.810 53.050 0.096 0.000 0.766 114 N CB 1.073 39.601 38.487 0.069 0.000 1.223 114 N HN 0.472 nan 8.380 nan 0.000 0.515 115 A N 1.988 124.891 122.820 0.138 0.000 2.483 115 A HA 0.291 4.612 4.320 0.002 0.000 0.238 115 A C 0.393 178.117 177.584 0.233 0.000 1.070 115 A CA -0.155 51.968 52.037 0.144 0.000 0.770 115 A CB 0.156 19.220 19.000 0.106 0.000 1.008 115 A HN 0.626 nan 8.150 nan 0.000 0.497 116 N N 0.398 119.169 118.700 0.119 0.000 2.503 116 N HA 0.554 5.295 4.740 0.002 0.000 0.267 116 N C -0.679 174.807 175.510 -0.041 0.000 1.214 116 N CA 0.513 53.526 53.050 -0.062 0.000 0.959 116 N CB 0.856 39.133 38.487 -0.351 0.000 1.142 116 N HN 0.687 nan 8.380 nan 0.000 0.455 117 Y N -2.251 117.932 120.300 -0.196 0.000 2.741 117 Y HA 0.605 5.157 4.550 0.002 0.000 0.339 117 Y C -1.639 174.209 175.900 -0.087 0.000 1.226 117 Y CA -1.200 56.814 58.100 -0.144 0.000 1.072 117 Y CB 0.659 39.047 38.460 -0.120 0.000 1.331 117 Y HN 0.300 nan 8.280 nan 0.000 0.453 118 I N 2.551 123.231 120.570 0.183 0.000 2.530 118 I HA 0.729 4.900 4.170 0.002 0.000 0.297 118 I C -0.437 175.797 176.117 0.195 0.000 1.011 118 I CA -0.648 60.744 61.300 0.152 0.000 1.107 118 I CB 2.311 40.406 38.000 0.159 0.000 1.285 118 I HN 0.838 nan 8.210 nan 0.000 0.436 119 S N 5.483 121.293 115.700 0.184 0.000 2.667 119 S HA 0.770 5.242 4.470 0.002 0.000 0.292 119 S C -0.871 173.776 174.600 0.078 0.000 1.126 119 S CA -0.833 57.420 58.200 0.088 0.000 0.881 119 S CB 1.902 65.172 63.200 0.117 0.000 1.132 119 S HN 0.423 nan 8.310 nan 0.000 0.492 120 I N 1.695 122.266 120.570 0.002 0.000 2.433 120 I HA 0.574 4.745 4.170 0.002 0.000 0.292 120 I C -0.586 175.471 176.117 -0.100 0.000 1.001 120 I CA -1.087 60.137 61.300 -0.127 0.000 1.119 120 I CB 2.029 39.676 38.000 -0.588 0.000 1.289 120 I HN 0.721 nan 8.210 nan 0.000 0.438 121 V N 1.595 121.491 119.914 -0.030 0.000 2.919 121 V HA 0.654 4.776 4.120 0.002 0.000 0.316 121 V C -0.619 175.485 176.094 0.016 0.000 1.077 121 V CA -0.739 61.563 62.300 0.003 0.000 0.977 121 V CB 1.816 33.660 31.823 0.035 0.000 1.039 121 V HN 0.763 nan 8.190 nan 0.000 0.441 122 D N 1.710 122.126 120.400 0.027 0.000 2.478 122 D HA 0.149 4.790 4.640 0.002 0.000 0.274 122 D C 0.986 177.254 176.300 -0.052 0.000 1.234 122 D CA 0.070 54.078 54.000 0.014 0.000 1.069 122 D CB 0.374 41.203 40.800 0.048 0.000 1.113 122 D HN 0.752 nan 8.370 nan 0.000 0.571 123 E N -0.662 119.422 120.200 -0.194 0.000 2.516 123 E HA -0.183 4.168 4.350 0.002 0.000 0.199 123 E C 0.291 176.689 176.600 -0.337 0.000 1.069 123 E CA 0.754 56.991 56.400 -0.273 0.000 0.876 123 E CB -0.703 28.802 29.700 -0.326 0.000 0.843 123 E HN 0.642 nan 8.360 nan 0.000 0.530 124 H N 0.977 120.065 119.070 0.031 0.000 2.520 124 H HA 0.245 4.803 4.556 0.002 0.000 0.284 124 H C -0.259 175.083 175.328 0.022 0.000 1.037 124 H CA 0.159 56.221 56.048 0.023 0.000 1.168 124 H CB 0.353 30.126 29.762 0.018 0.000 1.497 124 H HN 0.153 nan 8.280 nan 0.000 0.547 125 E N -0.138 120.110 120.200 0.079 0.000 2.971 125 E HA -0.174 4.177 4.350 0.002 0.000 0.278 125 E C -0.493 176.144 176.600 0.062 0.000 1.009 125 E CA 0.652 57.089 56.400 0.063 0.000 0.862 125 E CB -1.612 28.122 29.700 0.057 0.000 1.436 125 E HN 0.362 nan 8.360 nan 0.000 0.434 126 T N 1.120 115.721 114.554 0.078 0.000 2.832 126 T HA 0.184 4.535 4.350 0.002 0.000 0.296 126 T C 0.198 174.918 174.700 0.033 0.000 0.968 126 T CA -0.324 61.810 62.100 0.057 0.000 1.107 126 T CB 1.339 70.252 68.868 0.076 0.000 0.916 126 T HN 0.156 nan 8.240 nan 0.000 0.517 127 E N 3.019 123.224 120.200 0.008 0.000 2.299 127 E HA 0.058 4.409 4.350 0.002 0.000 0.272 127 E C 0.426 177.023 176.600 -0.005 0.000 1.043 127 E CA -0.398 55.992 56.400 -0.016 0.000 0.895 127 E CB 0.262 29.927 29.700 -0.059 0.000 1.011 127 E HN 0.430 nan 8.360 nan 0.000 0.432 128 I N 4.977 125.548 120.570 0.002 0.000 3.339 128 I HA 0.120 4.291 4.170 0.002 0.000 0.285 128 I C 0.307 176.502 176.117 0.130 0.000 1.201 128 I CA 0.486 61.821 61.300 0.059 0.000 1.434 128 I CB -0.391 37.651 38.000 0.069 0.000 1.152 128 I HN 0.414 nan 8.210 nan 0.000 0.443 129 F N 1.478 121.347 119.950 -0.135 0.000 2.608 129 F HA 0.560 5.088 4.527 0.002 0.000 0.309 129 F C -0.847 174.894 175.800 -0.099 0.000 1.103 129 F CA -1.156 56.779 58.000 -0.109 0.000 0.954 129 F CB 1.531 40.420 39.000 -0.185 0.000 1.267 129 F HN -0.243 nan 8.300 nan 0.000 0.444 130 K N 3.484 123.255 120.400 -1.049 0.000 2.482 130 K HA 0.476 4.798 4.320 0.002 0.000 0.251 130 K C -0.882 175.084 176.600 -1.056 0.000 0.936 130 K CA -0.589 55.201 56.287 -0.830 0.000 0.791 130 K CB 1.850 34.039 32.500 -0.518 0.000 1.213 130 K HN 0.857 nan 8.250 nan 0.000 0.428 131 T N -0.266 113.908 114.554 -0.633 0.000 2.828 131 T HA 0.249 4.600 4.350 0.002 0.000 0.290 131 T C 0.379 175.000 174.700 -0.133 0.000 1.019 131 T CA -0.502 61.421 62.100 -0.295 0.000 1.031 131 T CB 1.511 70.398 68.868 0.033 0.000 1.001 131 T HN 0.377 nan 8.240 nan 0.000 0.531 138 P HA 0.115 nan 4.420 nan 0.000 0.268 138 P C -0.514 177.101 177.300 0.524 0.000 1.208 138 P CA 0.129 63.528 63.100 0.498 0.000 0.777 138 P CB 0.305 32.255 31.700 0.417 0.000 0.875 139 D N 0.745 121.440 120.400 0.493 0.000 2.533 139 D HA 0.188 4.829 4.640 0.002 0.000 0.236 139 D C 1.628 178.106 176.300 0.297 0.000 1.137 139 D CA 1.955 56.152 54.000 0.329 0.000 0.867 139 D CB 0.030 40.981 40.800 0.251 0.000 1.170 139 D HN 0.706 nan 8.370 nan 0.000 0.474 140 G N 2.162 111.033 108.800 0.120 0.000 2.234 140 G HA2 -0.326 3.635 3.960 0.002 0.000 0.235 140 G HA3 -0.326 3.635 3.960 0.002 0.000 0.235 140 G C 0.510 175.217 174.900 -0.322 0.000 0.997 140 G CA -0.103 44.921 45.100 -0.127 0.000 0.623 140 G HN 0.510 nan 8.290 nan 0.000 0.514 141 Y N 1.054 121.404 120.300 0.083 0.000 2.681 141 Y HA 0.462 5.013 4.550 0.002 0.000 0.267 141 Y C 1.829 177.809 175.900 0.135 0.000 1.166 141 Y CA 0.319 58.475 58.100 0.093 0.000 1.209 141 Y CB 0.530 39.039 38.460 0.080 0.000 1.161 141 Y HN 0.275 nan 8.280 nan 0.000 0.534 142 E N 0.711 121.025 120.200 0.189 0.000 2.204 142 E HA -0.186 4.166 4.350 0.002 0.000 0.195 142 E C 1.585 178.265 176.600 0.133 0.000 0.990 142 E CA 1.349 57.844 56.400 0.157 0.000 0.821 142 E CB -0.150 29.618 29.700 0.113 0.000 0.750 142 E HN 0.468 nan 8.360 nan 0.000 0.477 143 N N 0.175 118.945 118.700 0.116 0.000 2.322 143 N HA -0.029 4.712 4.740 0.002 0.000 0.194 143 N C -0.369 175.217 175.510 0.126 0.000 1.126 143 N CA 0.019 53.128 53.050 0.098 0.000 0.845 143 N CB 0.114 38.639 38.487 0.063 0.000 0.976 143 N HN -0.093 nan 8.380 nan 0.000 0.475 144 V N 1.796 121.824 119.914 0.190 0.000 2.455 144 V HA 0.127 4.248 4.120 0.002 0.000 0.273 144 V C 1.436 177.619 176.094 0.148 0.000 1.045 144 V CA 0.300 62.730 62.300 0.217 0.000 0.976 144 V CB 0.940 32.993 31.823 0.383 0.000 0.993 144 V HN 0.519 nan 8.190 nan 0.000 0.475 145 T N -0.220 114.397 114.554 0.104 0.000 3.001 145 T HA 0.030 4.381 4.350 0.002 0.000 0.251 145 T C 0.806 175.531 174.700 0.042 0.000 1.040 145 T CA 0.252 62.392 62.100 0.067 0.000 0.985 145 T CB -0.109 68.790 68.868 0.051 0.000 1.011 145 T HN 0.645 nan 8.240 nan 0.000 0.509 146 N N 1.410 120.133 118.700 0.038 0.000 2.467 146 N HA 0.219 4.960 4.740 0.002 0.000 0.278 146 N C -0.440 175.063 175.510 -0.012 0.000 1.306 146 N CA -0.590 52.467 53.050 0.010 0.000 0.905 146 N CB -0.426 38.068 38.487 0.011 0.000 1.236 146 N HN 0.411 nan 8.380 nan 0.000 0.509 147 I N 0.857 121.414 120.570 -0.022 0.000 2.533 147 I HA 0.002 4.173 4.170 0.002 0.000 0.284 147 I C 0.570 176.675 176.117 -0.019 0.000 1.109 147 I CA -0.482 60.774 61.300 -0.074 0.000 1.412 147 I CB 1.184 39.129 38.000 -0.092 0.000 1.396 147 I HN -0.068 nan 8.210 nan 0.000 0.543 148 V N 10.022 129.947 119.914 0.019 0.000 2.572 148 V HA 0.187 4.308 4.120 0.002 0.000 0.291 148 V C -1.686 174.452 176.094 0.074 0.000 1.039 148 V CA -1.289 61.060 62.300 0.081 0.000 1.055 148 V CB 0.981 32.947 31.823 0.239 0.000 0.969 148 V HN 0.599 nan 8.190 nan 0.000 0.482 149 P HA 0.319 nan 4.420 nan 0.000 0.274 149 P C -2.832 174.551 177.300 0.137 0.000 1.246 149 P CA -1.805 61.335 63.100 0.066 0.000 0.795 149 P CB -0.242 31.496 31.700 0.062 0.000 1.006 150 P HA 0.136 nan 4.420 nan 0.000 0.268 150 P C -0.938 176.455 177.300 0.154 0.000 1.205 150 P CA 0.708 63.825 63.100 0.027 0.000 0.771 150 P CB -0.095 31.559 31.700 -0.077 0.000 0.858 151 Y N -0.379 119.782 120.300 -0.232 0.000 2.741 151 Y HA 0.490 5.041 4.550 0.002 0.000 0.339 151 Y C -1.633 174.100 175.900 -0.278 0.000 1.226 151 Y CA -1.366 56.644 58.100 -0.149 0.000 1.072 151 Y CB 0.591 39.053 38.460 0.004 0.000 1.331 151 Y HN 0.105 nan 8.280 nan 0.000 0.453 152 N N 1.635 120.183 118.700 -0.254 0.000 2.511 152 N HA 0.579 5.320 4.740 0.002 0.000 0.249 152 N C -0.688 174.618 175.510 -0.339 0.000 0.971 152 N CA -0.232 52.566 53.050 -0.421 0.000 0.938 152 N CB 1.926 40.297 38.487 -0.194 0.000 1.131 152 N HN 0.993 nan 8.380 nan 0.000 0.505 153 A N 1.915 124.357 122.820 -0.630 0.000 2.540 153 A HA 0.266 4.587 4.320 0.002 0.000 0.239 153 A C 0.191 177.774 177.584 -0.002 0.000 1.061 153 A CA 0.377 52.226 52.037 -0.313 0.000 0.758 153 A CB -0.538 18.237 19.000 -0.375 0.000 0.991 153 A HN 0.746 nan 8.150 nan 0.000 0.502 154 F N 0.118 120.133 119.950 0.108 0.000 2.544 154 F HA -0.207 4.321 4.527 0.002 0.000 0.389 154 F C 1.187 177.001 175.800 0.022 0.000 0.588 154 F CA 0.911 58.952 58.000 0.069 0.000 1.461 154 F CB -2.104 36.932 39.000 0.061 0.000 1.995 154 F HN 0.694 nan 8.300 nan 0.000 0.282 155 S N 1.061 116.834 115.700 0.121 0.000 2.571 155 S HA 0.440 4.911 4.470 0.002 0.000 0.298 155 S C 0.780 175.393 174.600 0.022 0.000 1.280 155 S CA 0.029 58.259 58.200 0.049 0.000 1.052 155 S CB 0.564 63.779 63.200 0.026 0.000 0.799 155 S HN 0.852 nan 8.310 nan 0.000 0.501 156 A N 4.344 127.155 122.820 -0.016 0.000 2.448 156 A HA 0.282 4.603 4.320 0.002 0.000 0.239 156 A C 0.416 177.906 177.584 -0.156 0.000 1.080 156 A CA -0.168 51.834 52.037 -0.057 0.000 0.779 156 A CB 0.072 19.037 19.000 -0.059 0.000 1.026 156 A HN 0.910 nan 8.150 nan 0.000 0.499 157 Q N -0.496 119.180 119.800 -0.206 0.000 2.259 157 Q HA 0.548 4.889 4.340 0.002 0.000 0.246 157 Q C 0.247 175.955 176.000 -0.487 0.000 0.920 157 Q CA 0.373 55.893 55.803 -0.472 0.000 0.895 157 Q CB 1.540 30.056 28.738 -0.368 0.000 1.220 157 Q HN 1.111 nan 8.270 nan 0.000 0.439 158 G N 0.694 109.007 108.800 -0.811 0.000 2.316 158 G HA2 0.313 4.274 3.960 0.002 0.000 0.296 158 G HA3 0.313 4.274 3.960 0.002 0.000 0.296 158 G C -1.174 173.526 174.900 -0.334 0.000 1.399 158 G CA -0.894 43.962 45.100 -0.406 0.000 0.833 158 G HN 0.480 nan 8.290 nan 0.000 0.565 159 M N 2.090 121.639 119.600 -0.085 0.000 3.124 159 M HA 0.246 4.727 4.480 0.002 0.000 0.298 159 M C -2.515 173.784 176.300 -0.001 0.000 1.403 159 M CA -1.179 54.112 55.300 -0.015 0.000 0.651 159 M CB 1.448 34.115 32.600 0.111 0.000 1.412 159 M HN 0.345 nan 8.290 nan 0.000 0.477 160 P HA 0.127 nan 4.420 nan 0.000 0.271 160 P C -1.028 176.280 177.300 0.014 0.000 1.218 160 P CA 0.269 63.364 63.100 -0.007 0.000 0.780 160 P CB 1.183 32.871 31.700 -0.020 0.000 0.901 161 E N 0.647 120.862 120.200 0.024 0.000 2.272 161 E HA 0.619 4.970 4.350 0.002 0.000 0.269 161 E C -0.849 175.769 176.600 0.030 0.000 0.877 161 E CA -0.787 55.635 56.400 0.037 0.000 0.755 161 E CB 1.579 31.305 29.700 0.044 0.000 1.192 161 E HN 0.701 nan 8.360 nan 0.000 0.422 162 G N 2.687 111.507 108.800 0.033 0.000 2.427 162 G HA2 0.139 4.100 3.960 0.002 0.000 0.306 162 G HA3 0.139 4.100 3.960 0.002 0.000 0.306 162 G C -1.427 173.474 174.900 0.002 0.000 1.280 162 G CA -0.782 44.328 45.100 0.018 0.000 0.837 162 G HN 0.504 nan 8.290 nan 0.000 0.482 163 D N -0.052 120.330 120.400 -0.030 0.000 2.341 163 D HA 0.433 5.074 4.640 0.002 0.000 0.245 163 D C -0.208 176.034 176.300 -0.098 0.000 1.106 163 D CA -0.015 53.923 54.000 -0.103 0.000 0.905 163 D CB 2.276 43.016 40.800 -0.099 0.000 1.202 163 D HN 0.251 nan 8.370 nan 0.000 0.426 164 L N 1.955 123.055 121.223 -0.204 0.000 2.312 164 L HA 0.358 4.699 4.340 0.002 0.000 0.281 164 L C -0.934 175.898 176.870 -0.063 0.000 1.070 164 L CA -0.345 54.433 54.840 -0.104 0.000 0.805 164 L CB 1.533 43.522 42.059 -0.117 0.000 1.174 164 L HN 0.083 nan 8.230 nan 0.000 0.434 165 V N 4.872 124.811 119.914 0.042 0.000 2.638 165 V HA 0.274 4.395 4.120 0.002 0.000 0.306 165 V C -1.160 175.043 176.094 0.182 0.000 1.052 165 V CA -0.739 61.620 62.300 0.099 0.000 0.885 165 V CB 1.526 33.406 31.823 0.095 0.000 0.999 165 V HN 0.630 nan 8.190 nan 0.000 0.424 166 Y N 5.275 125.636 120.300 0.102 0.000 2.336 166 Y HA 0.493 5.044 4.550 0.002 0.000 0.335 166 Y C 0.682 176.697 175.900 0.193 0.000 1.046 166 Y CA -0.390 57.795 58.100 0.142 0.000 1.198 166 Y CB 1.720 40.284 38.460 0.172 0.000 1.182 166 Y HN 0.438 nan 8.280 nan 0.000 0.502 167 V N 3.045 122.655 119.914 -0.508 0.000 3.085 167 V HA 0.311 4.432 4.120 0.002 0.000 0.345 167 V C 0.596 176.058 176.094 -1.052 0.000 1.397 167 V CA 0.240 62.194 62.300 -0.575 0.000 1.165 167 V CB -1.210 30.317 31.823 -0.493 0.000 1.153 167 V HN 0.989 nan 8.190 nan 0.000 0.495 168 N N 1.464 119.161 118.700 -1.672 0.000 1.222 168 N HA -0.335 4.406 4.740 0.002 0.000 0.134 168 N C 0.245 175.228 175.510 -0.879 0.000 0.787 168 N CA 2.592 54.746 53.050 -1.493 0.000 0.929 168 N CB -1.390 35.789 38.487 -2.180 0.000 1.170 168 N HN 0.447 nan 8.380 nan 0.000 0.541 169 Y N 1.309 121.261 120.300 -0.580 0.000 2.461 169 Y HA 0.523 5.074 4.550 0.002 0.000 0.277 169 Y C 1.527 177.267 175.900 -0.267 0.000 1.182 169 Y CA 0.950 58.859 58.100 -0.319 0.000 1.276 169 Y CB -0.422 37.898 38.460 -0.233 0.000 1.087 169 Y HN 0.641 nan 8.280 nan 0.000 0.519 170 A N 0.389 123.039 122.820 -0.283 0.000 2.799 170 A HA -0.297 4.025 4.320 0.002 0.000 0.287 170 A C 0.752 178.382 177.584 0.077 0.000 1.484 170 A CA 0.677 52.614 52.037 -0.166 0.000 0.813 170 A CB -2.007 17.048 19.000 0.092 0.000 1.009 170 A HN 0.521 nan 8.150 nan 0.000 0.545 171 R N -1.057 119.429 120.500 -0.024 0.000 2.637 171 R HA 0.410 4.751 4.340 0.002 0.000 0.269 171 R C 1.646 178.004 176.300 0.097 0.000 1.089 171 R CA 0.100 56.224 56.100 0.040 0.000 1.177 171 R CB 0.110 30.400 30.300 -0.017 0.000 1.091 171 R HN 0.357 nan 8.270 nan 0.000 0.540 172 T N 1.481 116.060 114.554 0.042 0.000 2.665 172 T HA -0.227 4.125 4.350 0.002 0.000 0.268 172 T C 1.590 176.102 174.700 -0.313 0.000 1.035 172 T CA 2.143 64.166 62.100 -0.129 0.000 1.151 172 T CB -0.190 68.584 68.868 -0.158 0.000 0.862 172 T HN 0.745 nan 8.240 nan 0.000 0.438 173 E N 1.057 121.182 120.200 -0.125 0.000 2.204 173 E HA -0.149 4.202 4.350 0.002 0.000 0.194 173 E C 1.425 178.116 176.600 0.152 0.000 0.989 173 E CA 1.194 57.630 56.400 0.061 0.000 0.824 173 E CB -0.162 29.626 29.700 0.147 0.000 0.756 173 E HN 0.374 nan 8.360 nan 0.000 0.477 174 D N 0.528 120.956 120.400 0.047 0.000 2.117 174 D HA -0.102 4.539 4.640 0.002 0.000 0.198 174 D C 1.675 178.018 176.300 0.072 0.000 0.982 174 D CA 0.974 54.995 54.000 0.036 0.000 0.828 174 D CB -0.341 40.229 40.800 -0.383 0.000 0.967 174 D HN 0.273 nan 8.370 nan 0.000 0.464 175 F N 0.191 120.208 119.950 0.112 0.000 2.259 175 F HA -0.106 4.423 4.527 0.003 0.000 0.298 175 F C 2.207 178.163 175.800 0.259 0.000 1.088 175 F CA 0.346 58.431 58.000 0.141 0.000 1.358 175 F CB -0.164 38.868 39.000 0.053 0.000 1.040 175 F HN -0.146 nan 8.300 nan 0.000 0.505 176 F N 0.960 121.088 119.950 0.297 0.000 2.095 176 F HA -0.211 4.316 4.527 0.001 0.000 0.298 176 F C 2.430 178.322 175.800 0.153 0.000 1.104 176 F CA 1.241 59.357 58.000 0.194 0.000 1.232 176 F CB -1.238 37.858 39.000 0.160 0.000 0.987 176 F HN -0.082 nan 8.300 nan 0.000 0.475 177 K N 0.380 121.006 120.400 0.376 0.000 2.057 177 K HA -0.177 4.145 4.320 0.002 0.000 0.207 177 K C 2.186 178.864 176.600 0.129 0.000 1.049 177 K CA 1.143 57.564 56.287 0.224 0.000 0.931 177 K CB -0.327 32.328 32.500 0.258 0.000 0.714 177 K HN 0.218 nan 8.250 nan 0.000 0.440 178 L N 0.774 122.102 121.223 0.175 0.000 2.012 178 L HA -0.216 4.125 4.340 0.002 0.000 0.210 178 L C 2.351 179.291 176.870 0.117 0.000 1.073 178 L CA 1.598 56.504 54.840 0.110 0.000 0.748 178 L CB -0.313 41.850 42.059 0.174 0.000 0.891 178 L HN 0.266 nan 8.230 nan 0.000 0.431 179 E N -0.472 119.838 120.200 0.182 0.000 2.112 179 E HA -0.110 4.241 4.350 0.002 0.000 0.190 179 E C 2.261 178.915 176.600 0.090 0.000 0.979 179 E CA 0.707 57.194 56.400 0.145 0.000 0.814 179 E CB 0.136 29.950 29.700 0.191 0.000 0.762 179 E HN 0.466 nan 8.360 nan 0.000 0.460 180 R N 0.148 120.703 120.500 0.092 0.000 2.237 180 R HA 0.083 4.424 4.340 0.002 0.000 0.195 180 R C 1.564 177.875 176.300 0.018 0.000 0.956 180 R CA 0.548 56.670 56.100 0.037 0.000 1.029 180 R CB 0.381 30.684 30.300 0.005 0.000 0.972 180 R HN 0.096 nan 8.270 nan 0.000 0.493 181 E N -0.459 119.754 120.200 0.021 0.000 2.399 181 E HA 0.150 4.501 4.350 0.002 0.000 0.206 181 E C 1.319 177.899 176.600 -0.034 0.000 0.812 181 E CA 0.183 56.578 56.400 -0.010 0.000 1.138 181 E CB 0.503 30.195 29.700 -0.014 0.000 1.140 181 E HN 0.096 nan 8.360 nan 0.000 0.536 182 M N -0.140 119.434 119.600 -0.044 0.000 2.441 182 M HA 0.236 4.717 4.480 0.002 0.000 0.244 182 M C 0.981 177.257 176.300 -0.040 0.000 1.122 182 M CA 0.520 55.773 55.300 -0.079 0.000 1.041 182 M CB 1.124 33.631 32.600 -0.155 0.000 1.438 182 M HN 0.258 nan 8.290 nan 0.000 0.484 183 G N 1.569 110.364 108.800 -0.009 0.000 2.153 183 G HA2 -0.203 3.758 3.960 0.002 0.000 0.252 183 G HA3 -0.203 3.758 3.960 0.002 0.000 0.252 183 G C -0.063 174.846 174.900 0.014 0.000 0.994 183 G CA -0.226 44.876 45.100 0.003 0.000 0.698 183 G HN 0.370 nan 8.290 nan 0.000 0.521 184 I N 0.706 121.291 120.570 0.026 0.000 2.359 184 I HA 0.348 4.519 4.170 0.002 0.000 0.294 184 I C -0.031 176.131 176.117 0.075 0.000 0.987 184 I CA -1.409 59.917 61.300 0.044 0.000 1.225 184 I CB 1.445 39.471 38.000 0.044 0.000 1.366 184 I HN 0.107 nan 8.210 nan 0.000 0.466 185 N N 5.236 123.976 118.700 0.066 0.000 2.469 185 N HA 0.176 4.918 4.740 0.002 0.000 0.253 185 N C 0.215 175.774 175.510 0.083 0.000 0.970 185 N CA -0.368 52.726 53.050 0.074 0.000 0.940 185 N CB 1.218 39.734 38.487 0.049 0.000 1.128 185 N HN 0.540 nan 8.380 nan 0.000 0.503 186 C N 1.376 120.746 119.300 0.117 0.000 2.576 186 C HA 0.143 4.604 4.460 0.002 0.000 0.267 186 C C 0.739 175.771 174.990 0.070 0.000 1.364 186 C CA -0.035 59.055 59.018 0.120 0.000 1.723 186 C CB -1.565 26.301 27.740 0.211 0.000 1.778 186 C HN 0.590 nan 8.230 nan 0.000 0.572 187 T N 0.829 115.413 114.554 0.049 0.000 2.867 187 T HA 0.381 4.732 4.350 0.002 0.000 0.297 187 T C 1.336 176.050 174.700 0.024 0.000 0.989 187 T CA 1.469 63.585 62.100 0.027 0.000 1.159 187 T CB 0.438 69.318 68.868 0.021 0.000 0.928 187 T HN 0.737 nan 8.240 nan 0.000 0.538 188 G N 2.622 111.432 108.800 0.016 0.000 2.184 188 G HA2 -0.224 3.737 3.960 0.002 0.000 0.264 188 G HA3 -0.224 3.737 3.960 0.002 0.000 0.264 188 G C 0.187 175.097 174.900 0.017 0.000 0.975 188 G CA -0.099 45.009 45.100 0.014 0.000 0.642 188 G HN 0.564 nan 8.290 nan 0.000 0.536 189 K N 0.120 120.536 120.400 0.027 0.000 2.095 189 K HA 0.630 4.952 4.320 0.002 0.000 0.252 189 K C 0.712 177.333 176.600 0.035 0.000 0.977 189 K CA -0.941 55.363 56.287 0.029 0.000 0.900 189 K CB 1.275 33.801 32.500 0.043 0.000 1.060 189 K HN 0.261 nan 8.250 nan 0.000 0.449 190 I N 2.363 122.952 120.570 0.033 0.000 2.371 190 I HA 0.063 4.234 4.170 0.002 0.000 0.290 190 I C 0.423 176.580 176.117 0.068 0.000 1.028 190 I CA -0.822 60.506 61.300 0.046 0.000 1.345 190 I CB 0.962 38.990 38.000 0.047 0.000 1.407 190 I HN 0.215 nan 8.210 nan 0.000 0.501 191 V N 5.557 125.523 119.914 0.087 0.000 2.713 191 V HA 0.618 4.739 4.120 0.002 0.000 0.307 191 V C -0.427 175.736 176.094 0.115 0.000 1.052 191 V CA -0.782 61.587 62.300 0.115 0.000 0.967 191 V CB 2.171 34.090 31.823 0.161 0.000 1.019 191 V HN 0.672 nan 8.190 nan 0.000 0.459 192 I N 3.078 123.736 120.570 0.146 0.000 2.436 192 I HA 0.849 5.020 4.170 0.002 0.000 0.289 192 I C -0.053 176.189 176.117 0.207 0.000 1.010 192 I CA -0.581 60.837 61.300 0.197 0.000 1.098 192 I CB 1.296 39.433 38.000 0.228 0.000 1.266 192 I HN 1.091 nan 8.210 nan 0.000 0.434 193 A N 7.499 130.410 122.820 0.151 0.000 2.386 193 A HA 0.718 5.039 4.320 0.002 0.000 0.311 193 A C -0.742 176.825 177.584 -0.027 0.000 1.068 193 A CA -0.874 51.164 52.037 0.001 0.000 0.743 193 A CB 1.161 20.107 19.000 -0.091 0.000 1.258 193 A HN 0.816 nan 8.150 nan 0.000 0.429 194 R N 1.581 121.976 120.500 -0.176 0.000 2.490 194 R HA 0.403 4.744 4.340 0.002 0.000 0.280 194 R C -1.047 175.185 176.300 -0.115 0.000 1.077 194 R CA -0.319 55.499 56.100 -0.470 0.000 1.065 194 R CB 0.411 30.386 30.300 -0.543 0.000 1.003 194 R HN 0.657 nan 8.270 nan 0.000 0.470 195 Y N 0.964 121.216 120.300 -0.080 0.000 2.511 195 Y HA 0.262 4.814 4.550 0.002 0.000 0.347 195 Y C 1.426 177.554 175.900 0.380 0.000 1.257 195 Y CA 1.547 59.732 58.100 0.142 0.000 1.469 195 Y CB 0.994 39.508 38.460 0.091 0.000 1.353 195 Y HN 1.011 nan 8.280 nan 0.000 0.617 196 G N 1.410 110.532 108.800 0.536 0.000 2.459 196 G HA2 0.050 4.012 3.960 0.002 0.000 0.685 196 G HA3 0.050 4.012 3.960 0.002 0.000 0.685 196 G C -0.270 174.640 174.900 0.017 0.000 1.303 196 G CA -0.462 44.805 45.100 0.278 0.000 0.907 196 G HN 0.537 nan 8.290 nan 0.000 0.632 197 K N -2.021 118.287 120.400 -0.154 0.000 4.998 197 K HA -0.236 4.085 4.320 0.002 0.000 0.444 197 K C 0.988 177.565 176.600 -0.039 0.000 0.393 197 K CA 2.254 58.396 56.287 -0.241 0.000 1.908 197 K CB -1.522 30.639 32.500 -0.565 0.000 0.757 197 K HN 1.135 nan 8.250 nan 0.000 0.588 198 I N -0.158 120.443 120.570 0.052 0.000 3.074 198 I HA 0.292 4.463 4.170 0.002 0.000 0.310 198 I C 0.187 176.399 176.117 0.158 0.000 1.153 198 I CA -1.272 60.097 61.300 0.116 0.000 0.993 198 I CB 1.608 39.635 38.000 0.046 0.000 1.237 198 I HN -0.022 nan 8.210 nan 0.000 0.443 199 F N 4.039 123.845 119.950 -0.240 0.000 2.623 199 F HA 0.014 4.542 4.527 0.002 0.000 0.383 199 F C 1.788 177.521 175.800 -0.112 0.000 1.077 199 F CA -0.071 57.645 58.000 -0.474 0.000 1.268 199 F CB 0.586 39.079 39.000 -0.845 0.000 1.053 199 F HN 0.469 nan 8.300 nan 0.000 0.571 200 R N 3.366 123.430 120.500 -0.727 0.000 2.148 200 R HA -0.013 4.328 4.340 0.002 0.000 0.227 200 R C 1.841 177.735 176.300 -0.676 0.000 1.103 200 R CA 1.219 57.034 56.100 -0.474 0.000 0.983 200 R CB -1.115 29.092 30.300 -0.155 0.000 0.874 200 R HN 0.766 nan 8.270 nan 0.000 0.451 201 G N 1.109 109.065 108.800 -1.405 0.000 2.443 201 G HA2 -0.251 3.710 3.960 0.002 0.000 0.219 201 G HA3 -0.251 3.710 3.960 0.002 0.000 0.219 201 G C 0.869 175.644 174.900 -0.208 0.000 1.131 201 G CA 0.736 45.481 45.100 -0.591 0.000 0.775 201 G HN 0.411 nan 8.290 nan 0.000 0.547 202 N N 0.474 119.095 118.700 -0.132 0.000 2.166 202 N HA -0.053 4.688 4.740 0.002 0.000 0.186 202 N C 2.116 177.605 175.510 -0.036 0.000 1.019 202 N CA 1.180 54.219 53.050 -0.018 0.000 0.856 202 N CB -0.098 38.413 38.487 0.041 0.000 0.993 202 N HN 0.299 nan 8.380 nan 0.000 0.426 203 K N 0.186 120.548 120.400 -0.063 0.000 2.057 203 K HA -0.063 4.258 4.320 0.002 0.000 0.207 203 K C 1.812 178.409 176.600 -0.005 0.000 1.049 203 K CA 0.969 57.260 56.287 0.007 0.000 0.931 203 K CB -0.176 32.304 32.500 -0.034 0.000 0.714 203 K HN 0.026 nan 8.250 nan 0.000 0.440 204 V N 1.932 121.800 119.914 -0.076 0.000 2.379 204 V HA -0.231 3.890 4.120 0.002 0.000 0.245 204 V C 2.385 178.432 176.094 -0.078 0.000 1.044 204 V CA 1.572 63.829 62.300 -0.072 0.000 1.036 204 V CB -0.411 31.357 31.823 -0.091 0.000 0.664 204 V HN 0.333 nan 8.190 nan 0.000 0.453 205 K N 0.474 120.828 120.400 -0.077 0.000 2.044 205 K HA -0.267 4.054 4.320 0.002 0.000 0.210 205 K C 1.998 178.516 176.600 -0.137 0.000 1.049 205 K CA 2.170 58.406 56.287 -0.085 0.000 0.927 205 K CB -0.213 32.250 32.500 -0.062 0.000 0.713 205 K HN 0.437 nan 8.250 nan 0.000 0.443 206 N N 0.660 119.274 118.700 -0.144 0.000 2.142 206 N HA -0.127 4.615 4.740 0.002 0.000 0.186 206 N C 1.686 176.795 175.510 -0.669 0.000 1.023 206 N CA 1.424 54.286 53.050 -0.313 0.000 0.852 206 N CB -0.507 37.930 38.487 -0.084 0.000 0.998 206 N HN 0.337 nan 8.380 nan 0.000 0.424 207 A N 1.019 123.599 122.820 -0.399 0.000 1.933 207 A HA -0.073 4.249 4.320 0.002 0.000 0.218 207 A C 2.294 179.723 177.584 -0.259 0.000 1.175 207 A CA 1.171 53.004 52.037 -0.340 0.000 0.628 207 A CB -0.471 18.533 19.000 0.006 0.000 0.814 207 A HN 0.187 nan 8.150 nan 0.000 0.444 208 M N -1.371 118.120 119.600 -0.182 0.000 2.117 208 M HA -0.122 4.359 4.480 0.002 0.000 0.262 208 M C 2.169 178.379 176.300 -0.150 0.000 1.065 208 M CA 1.483 56.705 55.300 -0.129 0.000 1.114 208 M CB -0.344 32.200 32.600 -0.093 0.000 1.361 208 M HN 0.466 nan 8.290 nan 0.000 0.408 209 L N 0.420 121.526 121.223 -0.196 0.000 2.131 209 L HA -0.068 4.273 4.340 0.002 0.000 0.210 209 L C 2.267 179.028 176.870 -0.180 0.000 1.092 209 L CA 1.743 56.485 54.840 -0.163 0.000 0.759 209 L CB -0.521 41.442 42.059 -0.160 0.000 0.903 209 L HN 0.195 nan 8.230 nan 0.000 0.435 210 A N -1.327 121.304 122.820 -0.315 0.000 2.208 210 A HA 0.396 4.717 4.320 0.002 0.000 0.209 210 A C 1.734 179.264 177.584 -0.090 0.000 1.161 210 A CA 0.627 52.525 52.037 -0.233 0.000 0.782 210 A CB -0.714 18.009 19.000 -0.463 0.000 0.816 210 A HN 0.793 nan 8.150 nan 0.000 0.477 211 G N -2.027 106.719 108.800 -0.090 0.000 2.157 211 G HA2 0.108 4.070 3.960 0.002 0.000 0.239 211 G HA3 0.108 4.070 3.960 0.002 0.000 0.239 211 G C 0.490 175.378 174.900 -0.020 0.000 0.982 211 G CA 0.255 45.332 45.100 -0.038 0.000 0.650 211 G HN 1.545 nan 8.290 nan 0.000 0.527 212 A N 0.124 122.929 122.820 -0.024 0.000 2.448 212 A HA 0.607 4.928 4.320 0.002 0.000 0.239 212 A C 1.550 179.131 177.584 -0.005 0.000 1.080 212 A CA 0.644 52.687 52.037 0.009 0.000 0.779 212 A CB 0.060 19.081 19.000 0.034 0.000 1.026 212 A HN 1.450 nan 8.150 nan 0.000 0.499 213 I N -1.525 119.047 120.570 0.003 0.000 4.018 213 I HA 0.555 4.726 4.170 0.002 0.000 0.337 213 I C 0.637 176.746 176.117 -0.012 0.000 1.327 213 I CA 0.270 61.566 61.300 -0.007 0.000 1.100 213 I CB -0.023 37.975 38.000 -0.004 0.000 1.025 213 I HN 0.643 nan 8.210 nan 0.000 0.396 214 G N 1.609 110.408 108.800 -0.001 0.000 2.616 214 G HA2 0.557 4.518 3.960 0.002 0.000 0.294 214 G HA3 0.557 4.518 3.960 0.002 0.000 0.294 214 G C -2.016 172.894 174.900 0.018 0.000 1.489 214 G CA -0.551 44.547 45.100 -0.004 0.000 0.836 214 G HN 0.171 nan 8.290 nan 0.000 0.527 215 I N 0.888 121.466 120.570 0.013 0.000 2.534 215 I HA 0.644 4.815 4.170 0.002 0.000 0.288 215 I C -1.038 175.092 176.117 0.021 0.000 1.077 215 I CA -1.335 59.980 61.300 0.026 0.000 1.051 215 I CB 1.552 39.560 38.000 0.014 0.000 1.234 215 I HN 0.413 nan 8.210 nan 0.000 0.425 216 I N 7.783 128.382 120.570 0.049 0.000 2.331 216 I HA 0.346 4.517 4.170 0.002 0.000 0.292 216 I C -0.629 175.499 176.117 0.018 0.000 0.998 216 I CA -0.515 60.822 61.300 0.061 0.000 1.267 216 I CB 1.355 39.425 38.000 0.118 0.000 1.386 216 I HN 0.398 nan 8.210 nan 0.000 0.476 217 L N 7.412 128.573 121.223 -0.102 0.000 2.317 217 L HA 0.550 4.891 4.340 0.002 0.000 0.281 217 L C -0.810 175.973 176.870 -0.144 0.000 1.024 217 L CA -0.818 53.811 54.840 -0.352 0.000 0.810 217 L CB 1.312 42.831 42.059 -0.899 0.000 1.240 217 L HN 0.542 nan 8.230 nan 0.000 0.427 218 Y N -0.239 119.952 120.300 -0.181 0.000 2.615 218 Y HA 0.603 5.154 4.550 0.002 0.000 0.341 218 Y C -0.899 175.162 175.900 0.269 0.000 1.089 218 Y CA -1.142 57.008 58.100 0.082 0.000 1.049 218 Y CB 1.595 40.128 38.460 0.121 0.000 1.296 218 Y HN 0.346 nan 8.280 nan 0.000 0.470 219 S N 2.902 118.764 115.700 0.270 0.000 2.404 219 S HA 0.120 4.592 4.470 0.002 0.000 0.309 219 S C -0.918 173.899 174.600 0.363 0.000 1.076 219 S CA -0.661 57.658 58.200 0.198 0.000 1.095 219 S CB 0.004 63.248 63.200 0.074 0.000 0.972 219 S HN 0.659 nan 8.310 nan 0.000 0.484 220 D N 3.152 123.657 120.400 0.175 0.000 2.304 220 D HA 0.184 4.825 4.640 0.002 0.000 0.250 220 D C -1.753 174.659 176.300 0.188 0.000 1.107 220 D CA -2.070 52.084 54.000 0.257 0.000 0.885 220 D CB 1.576 42.465 40.800 0.148 0.000 1.192 220 D HN 0.112 nan 8.370 nan 0.000 0.436 221 P HA -0.081 nan 4.420 nan 0.000 0.222 221 P C 0.904 178.231 177.300 0.045 0.000 1.147 221 P CA 0.893 63.908 63.100 -0.141 0.000 0.790 221 P CB 0.149 31.517 31.700 -0.552 0.000 0.780 222 A N 0.112 122.951 122.820 0.032 0.000 1.986 222 A HA -0.225 4.096 4.320 0.002 0.000 0.220 222 A C 1.853 179.476 177.584 0.066 0.000 1.171 222 A CA 2.096 54.157 52.037 0.041 0.000 0.640 222 A CB -1.007 17.995 19.000 0.003 0.000 0.811 222 A HN 0.164 nan 8.150 nan 0.000 0.451 223 D N -3.285 117.155 120.400 0.066 0.000 2.392 223 D HA 0.122 4.763 4.640 0.002 0.000 0.206 223 D C -0.059 176.010 176.300 -0.385 0.000 1.046 223 D CA 0.581 54.504 54.000 -0.128 0.000 0.865 223 D CB 0.193 40.929 40.800 -0.106 0.000 0.969 223 D HN 0.619 nan 8.370 nan 0.000 0.509 224 Y N -0.664 119.747 120.300 0.185 0.000 2.738 224 Y HA 0.256 4.807 4.550 0.002 0.000 0.249 224 Y C -0.589 175.403 175.900 0.154 0.000 1.153 224 Y CA -0.598 57.607 58.100 0.175 0.000 1.165 224 Y CB 0.685 39.261 38.460 0.193 0.000 1.235 224 Y HN -0.225 nan 8.280 nan 0.000 0.559 225 F N 1.485 121.447 119.950 0.020 0.000 2.716 225 F HA 0.763 5.291 4.527 0.002 0.000 0.354 225 F C -0.043 175.661 175.800 -0.159 0.000 1.168 225 F CA -1.363 56.581 58.000 -0.094 0.000 1.045 225 F CB 0.439 39.371 39.000 -0.114 0.000 1.311 225 F HN -0.011 nan 8.300 nan 0.000 0.477 226 A N 7.313 129.801 122.820 -0.553 0.000 2.462 226 A HA 0.470 4.791 4.320 0.002 0.000 0.243 226 A C -2.391 174.992 177.584 -0.335 0.000 1.076 226 A CA -1.194 50.592 52.037 -0.420 0.000 0.773 226 A CB -0.508 18.010 19.000 -0.803 0.000 1.010 226 A HN 0.484 nan 8.150 nan 0.000 0.493 227 P HA 0.063 nan 4.420 nan 0.000 0.268 227 P C -0.323 176.911 177.300 -0.111 0.000 1.204 227 P CA 0.335 63.420 63.100 -0.024 0.000 0.768 227 P CB 0.492 32.209 31.700 0.028 0.000 0.842 228 E N -1.115 119.042 120.200 -0.072 0.000 2.440 228 E HA -0.160 4.191 4.350 0.002 0.000 0.246 228 E C -0.931 175.540 176.600 -0.214 0.000 1.165 228 E CA 0.377 56.722 56.400 -0.092 0.000 0.726 228 E CB -2.693 26.981 29.700 -0.044 0.000 1.271 228 E HN 0.205 nan 8.360 nan 0.000 0.397 229 V N 0.878 120.540 119.914 -0.420 0.000 2.604 229 V HA 0.210 4.331 4.120 0.002 0.000 0.305 229 V C 0.615 176.335 176.094 -0.624 0.000 1.043 229 V CA -0.761 61.140 62.300 -0.664 0.000 0.888 229 V CB 1.903 32.976 31.823 -1.250 0.000 0.995 229 V HN 0.178 nan 8.190 nan 0.000 0.429 230 Q N 4.959 124.479 119.800 -0.467 0.000 2.306 230 Q HA 0.326 4.668 4.340 0.002 0.000 0.241 230 Q C -2.341 173.450 176.000 -0.349 0.000 0.948 230 Q CA -1.599 54.036 55.803 -0.280 0.000 0.886 230 Q CB 1.165 29.800 28.738 -0.172 0.000 1.227 230 Q HN 0.457 nan 8.270 nan 0.000 0.457 231 P HA -0.095 nan 4.420 nan 0.000 0.272 231 P C -1.013 176.236 177.300 -0.085 0.000 1.223 231 P CA -0.073 62.995 63.100 -0.054 0.000 0.784 231 P CB 0.353 32.139 31.700 0.143 0.000 0.923 232 Y N 4.281 124.457 120.300 -0.206 0.000 2.811 232 Y HA -0.035 4.516 4.550 0.002 0.000 0.334 232 Y C -0.926 174.887 175.900 -0.146 0.000 1.247 232 Y CA -0.337 57.663 58.100 -0.166 0.000 1.526 232 Y CB 0.202 38.479 38.460 -0.305 0.000 1.284 232 Y HN 0.351 nan 8.280 nan 0.000 0.586 233 P HA 0.056 nan 4.420 nan 0.000 0.257 233 P C 0.285 177.443 177.300 -0.238 0.000 1.241 233 P CA 0.708 63.382 63.100 -0.710 0.000 0.816 233 P CB 0.414 31.874 31.700 -0.400 0.000 1.150 234 K N -0.069 120.265 120.400 -0.110 0.000 2.217 234 K HA 0.119 4.440 4.320 0.002 0.000 0.202 234 K C 1.403 177.971 176.600 -0.052 0.000 1.051 234 K CA 1.074 57.353 56.287 -0.014 0.000 0.952 234 K CB -0.017 32.469 32.500 -0.023 0.000 0.736 234 K HN 0.191 nan 8.250 nan 0.000 0.453 235 G N -0.618 107.983 108.800 -0.331 0.000 2.975 235 G HA2 0.195 4.157 3.960 0.002 0.000 0.291 235 G HA3 0.195 4.157 3.960 0.002 0.000 0.291 235 G C -0.920 173.421 174.900 -0.931 0.000 1.334 235 G CA -0.675 43.924 45.100 -0.836 0.000 0.843 235 G HN 0.301 nan 8.290 nan 0.000 0.548 236 W N 0.519 121.259 121.300 -0.934 0.000 3.223 236 W HA 0.403 5.064 4.660 0.002 0.000 0.389 236 W C -0.463 175.957 176.519 -0.165 0.000 1.118 236 W CA -0.861 56.244 57.345 -0.400 0.000 1.902 236 W CB -0.635 28.672 29.460 -0.254 0.000 1.094 236 W HN 0.066 nan 8.180 nan 0.000 0.666 237 N N 1.810 120.239 118.700 -0.452 0.000 2.445 237 N HA 0.169 4.910 4.740 0.002 0.000 0.264 237 N C -0.639 174.847 175.510 -0.041 0.000 1.227 237 N CA -0.582 52.204 53.050 -0.440 0.000 0.963 237 N CB 1.342 39.202 38.487 -1.045 0.000 1.188 237 N HN -0.019 nan 8.380 nan 0.000 0.491 238 L N 3.084 124.389 121.223 0.137 0.000 2.361 238 L HA 0.374 4.715 4.340 0.002 0.000 0.278 238 L C -2.223 174.879 176.870 0.387 0.000 1.113 238 L CA -1.202 53.816 54.840 0.298 0.000 0.849 238 L CB 0.416 42.730 42.059 0.424 0.000 1.155 238 L HN 0.445 nan 8.230 nan 0.000 0.452 239 P HA 0.182 nan 4.420 nan 0.000 0.272 239 P C 0.507 177.695 177.300 -0.186 0.000 1.230 239 P CA -0.172 62.978 63.100 0.084 0.000 0.788 239 P CB 0.655 32.338 31.700 -0.029 0.000 0.949 240 G N 0.320 108.816 108.800 -0.507 0.000 2.625 240 G HA2 -0.147 3.814 3.960 0.002 0.000 0.214 240 G HA3 -0.147 3.814 3.960 0.002 0.000 0.214 240 G C 0.970 175.561 174.900 -0.515 0.000 1.132 240 G CA 0.831 45.166 45.100 -1.275 0.000 0.782 240 G HN 0.599 nan 8.290 nan 0.000 0.538 241 T N -2.525 111.917 114.554 -0.187 0.000 3.081 241 T HA 0.565 4.916 4.350 0.002 0.000 0.250 241 T C 0.996 175.713 174.700 0.028 0.000 1.100 241 T CA 0.410 62.493 62.100 -0.029 0.000 1.038 241 T CB 0.477 69.383 68.868 0.063 0.000 0.962 241 T HN 0.297 nan 8.240 nan 0.000 0.516 242 A N 1.010 123.856 122.820 0.045 0.000 2.292 242 A HA 0.860 5.181 4.320 0.002 0.000 0.319 242 A C 0.166 177.775 177.584 0.040 0.000 1.206 242 A CA -0.704 51.395 52.037 0.103 0.000 0.835 242 A CB 0.722 19.889 19.000 0.278 0.000 1.164 242 A HN 0.653 nan 8.150 nan 0.000 0.505 243 A N 1.735 124.553 122.820 -0.003 0.000 2.320 243 A HA 0.659 4.980 4.320 0.002 0.000 0.334 243 A C -0.105 177.406 177.584 -0.121 0.000 1.147 243 A CA -0.609 51.411 52.037 -0.028 0.000 0.820 243 A CB 0.820 19.796 19.000 -0.039 0.000 1.218 243 A HN 0.875 nan 8.150 nan 0.000 0.482 244 Q N 1.532 121.231 119.800 -0.170 0.000 2.296 244 Q HA 0.330 4.671 4.340 0.002 0.000 0.257 244 Q C -0.317 175.447 176.000 -0.393 0.000 0.942 244 Q CA -0.315 55.266 55.803 -0.371 0.000 0.939 244 Q CB 0.532 28.831 28.738 -0.733 0.000 1.198 244 Q HN 0.715 nan 8.270 nan 0.000 0.429 245 R N 1.490 121.648 120.500 -0.571 0.000 2.649 245 R HA 0.705 5.046 4.340 0.002 0.000 0.270 245 R C -0.139 175.543 176.300 -1.029 0.000 1.105 245 R CA 0.407 55.926 56.100 -0.969 0.000 1.193 245 R CB 1.026 30.472 30.300 -1.424 0.000 1.120 245 R HN 0.853 nan 8.270 nan 0.000 0.561 246 G N 0.476 108.536 108.800 -1.235 0.000 2.368 246 G HA2 0.032 3.993 3.960 0.002 0.000 0.303 246 G HA3 0.032 3.993 3.960 0.002 0.000 0.303 246 G C -1.665 172.999 174.900 -0.393 0.000 1.590 246 G CA -1.109 43.610 45.100 -0.635 0.000 0.938 246 G HN 0.734 nan 8.290 nan 0.000 0.675 247 N N -1.567 117.120 118.700 -0.021 0.000 2.444 247 N HA 0.404 5.146 4.740 0.002 0.000 0.255 247 N C 0.734 176.273 175.510 0.048 0.000 1.255 247 N CA 0.144 53.239 53.050 0.075 0.000 0.933 247 N CB 1.804 40.479 38.487 0.314 0.000 1.143 247 N HN 1.214 nan 8.380 nan 0.000 0.453 248 V N -1.604 118.348 119.914 0.064 0.000 2.915 248 V HA 0.370 4.491 4.120 0.002 0.000 0.364 248 V C 0.153 176.267 176.094 0.034 0.000 1.354 248 V CA -0.624 61.647 62.300 -0.049 0.000 1.213 248 V CB -1.143 30.631 31.823 -0.082 0.000 1.268 248 V HN 0.516 nan 8.190 nan 0.000 0.557 249 L N 1.212 122.504 121.223 0.114 0.000 2.464 249 L HA 0.405 4.747 4.340 0.002 0.000 0.264 249 L C 0.341 177.274 176.870 0.104 0.000 1.199 249 L CA 0.230 55.085 54.840 0.026 0.000 0.818 249 L CB 0.423 42.413 42.059 -0.115 0.000 1.102 249 L HN 0.321 nan 8.230 nan 0.000 0.473 250 N N 1.116 119.827 118.700 0.019 0.000 2.918 250 N HA 0.278 5.019 4.740 0.002 0.000 0.270 250 N C 0.523 176.005 175.510 -0.048 0.000 1.536 250 N CA -0.152 52.914 53.050 0.028 0.000 0.877 250 N CB 0.738 39.229 38.487 0.007 0.000 1.190 250 N HN 0.489 nan 8.380 nan 0.000 0.492 251 L N 0.209 121.386 121.223 -0.076 0.000 2.270 251 L HA 0.088 4.429 4.340 0.002 0.000 0.210 251 L C 0.260 177.018 176.870 -0.188 0.000 1.104 251 L CA 0.159 54.913 54.840 -0.142 0.000 0.804 251 L CB -0.121 41.831 42.059 -0.177 0.000 0.937 251 L HN 0.475 nan 8.230 nan 0.000 0.450 252 N N 0.814 119.389 118.700 -0.208 0.000 2.716 252 N HA -0.220 4.521 4.740 0.002 0.000 0.250 252 N C 0.972 175.978 175.510 -0.841 0.000 1.033 252 N CA 1.029 53.767 53.050 -0.519 0.000 0.727 252 N CB -1.451 36.771 38.487 -0.442 0.000 0.950 252 N HN 0.614 nan 8.380 nan 0.000 0.541 253 G N -2.089 106.466 108.800 -0.407 0.000 2.175 253 G HA2 -0.272 3.690 3.960 0.002 0.000 0.244 253 G HA3 -0.272 3.690 3.960 0.002 0.000 0.244 253 G C 1.034 175.740 174.900 -0.324 0.000 0.982 253 G CA 0.875 45.815 45.100 -0.267 0.000 0.641 253 G HN 0.983 nan 8.290 nan 0.000 0.527 254 A N -0.215 122.390 122.820 -0.357 0.000 2.014 254 A HA 0.526 4.847 4.320 0.002 0.000 0.218 254 A C 2.685 179.924 177.584 -0.576 0.000 1.163 254 A CA 2.262 53.934 52.037 -0.608 0.000 0.652 254 A CB -0.530 18.257 19.000 -0.355 0.000 0.808 254 A HN 2.682 nan 8.150 nan 0.000 0.449 255 G N -0.397 108.172 108.800 -0.386 0.000 2.512 255 G HA2 -0.193 3.768 3.960 0.002 0.000 0.240 255 G HA3 -0.193 3.768 3.960 0.002 0.000 0.240 255 G C -0.276 174.462 174.900 -0.270 0.000 1.246 255 G CA 0.128 45.031 45.100 -0.329 0.000 0.919 255 G HN 0.923 nan 8.290 nan 0.000 0.577 256 D N 1.484 121.744 120.400 -0.235 0.000 2.586 256 D HA 0.291 4.932 4.640 0.002 0.000 0.234 256 D C -0.454 175.735 176.300 -0.184 0.000 1.132 256 D CA -0.308 53.588 54.000 -0.173 0.000 0.860 256 D CB 0.809 41.525 40.800 -0.141 0.000 1.159 256 D HN 0.092 nan 8.370 nan 0.000 0.490 257 P HA -0.113 nan 4.420 nan 0.000 0.218 257 P C 1.037 178.266 177.300 -0.117 0.000 1.146 257 P CA 1.073 64.066 63.100 -0.179 0.000 0.813 257 P CB 0.124 31.694 31.700 -0.216 0.000 0.778 258 L N -2.006 119.155 121.223 -0.102 0.000 2.567 258 L HA 0.104 4.445 4.340 0.002 0.000 0.225 258 L C 0.820 177.640 176.870 -0.084 0.000 1.119 258 L CA 0.966 55.748 54.840 -0.098 0.000 0.871 258 L CB -0.592 41.403 42.059 -0.108 0.000 1.036 258 L HN 0.066 nan 8.230 nan 0.000 0.459 259 T N -2.939 111.574 114.554 -0.068 0.000 3.697 259 T HA 0.285 4.636 4.350 0.002 0.000 0.260 259 T C -2.656 172.027 174.700 -0.028 0.000 0.998 259 T CA -1.467 60.632 62.100 -0.001 0.000 1.128 259 T CB 0.158 69.015 68.868 -0.018 0.000 1.082 259 T HN -0.161 nan 8.240 nan 0.000 0.541 260 P HA 0.332 nan 4.420 nan 0.000 0.263 260 P C 1.179 178.365 177.300 -0.190 0.000 1.195 260 P CA 1.129 64.090 63.100 -0.231 0.000 0.762 260 P CB 0.652 32.333 31.700 -0.031 0.000 0.799 261 G N 2.294 110.751 108.800 -0.572 0.000 2.279 261 G HA2 -0.197 3.764 3.960 0.002 0.000 0.223 261 G HA3 -0.197 3.764 3.960 0.002 0.000 0.223 261 G C -0.599 173.674 174.900 -1.046 0.000 1.015 261 G CA -0.315 44.348 45.100 -0.727 0.000 0.621 261 G HN 0.506 nan 8.290 nan 0.000 0.506 262 Y N 1.380 121.626 120.300 -0.089 0.000 2.524 262 Y HA 0.611 5.162 4.550 0.002 0.000 0.347 262 Y C -2.290 173.553 175.900 -0.095 0.000 1.005 262 Y CA -2.368 55.703 58.100 -0.047 0.000 1.025 262 Y CB 2.130 40.605 38.460 0.026 0.000 1.275 262 Y HN -0.022 nan 8.280 nan 0.000 0.460 263 P HA 0.175 nan 4.420 nan 0.000 0.271 263 P C -0.689 176.626 177.300 0.025 0.000 1.218 263 P CA -0.226 62.861 63.100 -0.021 0.000 0.780 263 P CB 1.034 32.790 31.700 0.094 0.000 0.901 264 A N 3.907 126.742 122.820 0.026 0.000 3.004 264 A HA 0.175 4.496 4.320 0.002 0.000 0.286 264 A C 0.619 178.256 177.584 0.088 0.000 1.632 264 A CA -0.240 51.813 52.037 0.028 0.000 1.339 264 A CB -0.735 18.272 19.000 0.011 0.000 1.136 264 A HN 0.292 nan 8.150 nan 0.000 0.577 265 K N 0.517 120.859 120.400 -0.098 0.000 2.209 265 K HA 0.238 4.559 4.320 0.002 0.000 0.238 265 K C 0.538 176.992 176.600 -0.242 0.000 1.028 265 K CA -0.445 55.731 56.287 -0.186 0.000 0.935 265 K CB 0.616 32.920 32.500 -0.326 0.000 1.162 265 K HN 0.591 nan 8.250 nan 0.000 0.485 266 E N 0.204 120.330 120.200 -0.123 0.000 2.150 266 E HA -0.181 4.170 4.350 0.002 0.000 0.193 266 E C 1.554 178.125 176.600 -0.048 0.000 0.985 266 E CA 1.459 57.841 56.400 -0.030 0.000 0.814 266 E CB -0.162 29.582 29.700 0.072 0.000 0.752 266 E HN 0.547 nan 8.360 nan 0.000 0.466 267 Y N -0.386 119.944 120.300 0.050 0.000 2.511 267 Y HA 0.263 4.814 4.550 0.002 0.000 0.279 267 Y C 0.554 176.487 175.900 0.055 0.000 1.157 267 Y CA -0.173 57.953 58.100 0.044 0.000 1.300 267 Y CB -0.536 37.947 38.460 0.038 0.000 1.052 267 Y HN -0.338 nan 8.280 nan 0.000 0.529 268 T N 3.121 117.380 114.554 -0.493 0.000 2.930 268 T HA 0.043 4.395 4.350 0.002 0.000 0.306 268 T C -0.474 174.224 174.700 -0.003 0.000 1.045 268 T CA -0.459 61.477 62.100 -0.273 0.000 1.134 268 T CB 0.214 68.880 68.868 -0.337 0.000 0.961 268 T HN 0.337 nan 8.240 nan 0.000 0.545 269 F N 3.396 123.328 119.950 -0.031 0.000 2.607 269 F HA 0.245 4.772 4.527 0.001 0.000 0.374 269 F C 0.668 176.457 175.800 -0.018 0.000 1.104 269 F CA -0.094 57.896 58.000 -0.016 0.000 1.296 269 F CB 0.386 39.371 39.000 -0.025 0.000 1.085 269 F HN 0.416 nan 8.300 nan 0.000 0.584 270 R N 6.467 126.395 120.500 -0.954 0.000 2.534 270 R HA 0.453 4.795 4.340 0.002 0.000 0.301 270 R C -0.895 174.773 176.300 -1.054 0.000 0.961 270 R CA -1.011 54.634 56.100 -0.759 0.000 0.871 270 R CB 1.624 31.706 30.300 -0.362 0.000 1.170 270 R HN 0.696 nan 8.270 nan 0.000 0.446 271 L N 2.390 123.238 121.223 -0.624 0.000 2.499 271 L HA -0.032 4.309 4.340 0.002 0.000 0.281 271 L C 0.204 176.944 176.870 -0.216 0.000 1.234 271 L CA 0.250 54.911 54.840 -0.299 0.000 0.839 271 L CB 0.214 42.225 42.059 -0.080 0.000 1.104 271 L HN 0.456 nan 8.230 nan 0.000 0.500 272 D N 0.997 121.330 120.400 -0.112 0.000 2.423 272 D HA -0.012 4.629 4.640 0.002 0.000 0.238 272 D C 1.148 177.420 176.300 -0.047 0.000 1.142 272 D CA -0.162 53.798 54.000 -0.065 0.000 0.884 272 D CB 1.188 41.977 40.800 -0.019 0.000 1.199 272 D HN 0.198 nan 8.370 nan 0.000 0.438 273 V N 2.029 121.924 119.914 -0.032 0.000 2.490 273 V HA -0.245 3.876 4.120 0.002 0.000 0.250 273 V C 1.894 177.988 176.094 -0.001 0.000 1.061 273 V CA 1.659 63.952 62.300 -0.012 0.000 1.064 273 V CB -0.534 31.295 31.823 0.010 0.000 0.670 273 V HN 0.482 nan 8.190 nan 0.000 0.461 274 E N 0.175 120.374 120.200 -0.000 0.000 2.333 274 E HA -0.174 4.177 4.350 0.002 0.000 0.198 274 E C 1.787 178.387 176.600 0.000 0.000 1.007 274 E CA 0.941 57.343 56.400 0.003 0.000 0.845 274 E CB -0.110 29.593 29.700 0.005 0.000 0.766 274 E HN 0.677 nan 8.360 nan 0.000 0.507 275 E N -0.153 120.045 120.200 -0.003 0.000 2.548 275 E HA 0.159 4.510 4.350 0.002 0.000 0.206 275 E C 0.338 176.932 176.600 -0.011 0.000 1.005 275 E CA -0.262 56.139 56.400 0.001 0.000 0.951 275 E CB 0.846 30.557 29.700 0.017 0.000 1.035 275 E HN 0.127 nan 8.360 nan 0.000 0.470 276 G N 1.296 110.082 108.800 -0.024 0.000 2.353 276 G HA2 0.081 4.043 3.960 0.002 0.000 0.239 276 G HA3 0.081 4.043 3.960 0.002 0.000 0.239 276 G C 0.385 175.248 174.900 -0.061 0.000 1.295 276 G CA -0.379 44.692 45.100 -0.048 0.000 0.884 276 G HN -0.015 nan 8.290 nan 0.000 0.537 277 V N 2.834 122.703 119.914 -0.075 0.000 2.599 277 V HA 0.404 4.525 4.120 0.002 0.000 0.300 277 V C 1.686 177.709 176.094 -0.118 0.000 1.034 277 V CA 1.613 63.868 62.300 -0.076 0.000 1.115 277 V CB 0.556 32.336 31.823 -0.071 0.000 0.934 277 V HN 1.765 nan 8.190 nan 0.000 0.485 278 G N 4.459 113.204 108.800 -0.091 0.000 2.179 278 G HA2 -0.242 3.720 3.960 0.002 0.000 0.260 278 G HA3 -0.242 3.720 3.960 0.002 0.000 0.260 278 G C 0.128 174.971 174.900 -0.095 0.000 0.977 278 G CA 0.073 45.114 45.100 -0.098 0.000 0.641 278 G HN 0.626 nan 8.290 nan 0.000 0.533 279 I N 3.674 124.192 120.570 -0.087 0.000 2.471 279 I HA 0.238 4.409 4.170 0.002 0.000 0.286 279 I C -1.174 174.935 176.117 -0.013 0.000 1.079 279 I CA -1.873 59.401 61.300 -0.043 0.000 1.398 279 I CB 0.896 38.888 38.000 -0.012 0.000 1.403 279 I HN -0.015 nan 8.210 nan 0.000 0.530 280 P HA 0.169 nan 4.420 nan 0.000 0.274 280 P C -0.479 176.816 177.300 -0.009 0.000 1.246 280 P CA -0.388 62.707 63.100 -0.009 0.000 0.795 280 P CB 0.751 32.446 31.700 -0.008 0.000 1.006 281 R N 0.786 121.272 120.500 -0.023 0.000 2.472 281 R HA 0.347 4.688 4.340 0.002 0.000 0.279 281 R C 0.691 176.970 176.300 -0.035 0.000 0.953 281 R CA 0.009 56.094 56.100 -0.025 0.000 1.088 281 R CB -0.190 30.094 30.300 -0.026 0.000 1.197 281 R HN 0.539 nan 8.270 nan 0.000 0.536 282 I N -2.650 117.897 120.570 -0.038 0.000 2.934 282 I HA 0.631 4.802 4.170 0.002 0.000 0.306 282 I C -2.976 173.108 176.117 -0.055 0.000 1.110 282 I CA -3.368 57.904 61.300 -0.047 0.000 1.019 282 I CB 2.313 40.289 38.000 -0.039 0.000 1.227 282 I HN -0.322 nan 8.210 nan 0.000 0.434 283 P HA 0.306 nan 4.420 nan 0.000 0.271 283 P C -1.078 176.197 177.300 -0.042 0.000 1.218 283 P CA -0.184 62.865 63.100 -0.086 0.000 0.780 283 P CB 1.055 32.672 31.700 -0.138 0.000 0.901 284 V N 2.651 122.555 119.914 -0.018 0.000 2.733 284 V HA 0.458 4.580 4.120 0.002 0.000 0.306 284 V C -0.705 175.434 176.094 0.075 0.000 1.084 284 V CA -0.427 61.873 62.300 -0.001 0.000 0.905 284 V CB 1.936 33.737 31.823 -0.036 0.000 1.010 284 V HN 0.677 nan 8.190 nan 0.000 0.424 285 H N 4.904 123.941 119.070 -0.055 0.000 3.038 285 H HA 0.538 5.095 4.556 0.002 0.000 0.362 285 H C -3.097 172.217 175.328 -0.023 0.000 1.167 285 H CA -1.571 54.459 56.048 -0.029 0.000 1.197 285 H CB 3.805 33.562 29.762 -0.008 0.000 1.840 285 H HN 0.476 nan 8.280 nan 0.000 0.540 286 P HA 0.370 nan 4.420 nan 0.000 0.301 286 P C -0.848 176.335 177.300 -0.195 0.000 1.350 286 P CA -0.664 62.293 63.100 -0.238 0.000 0.941 286 P CB 2.249 33.877 31.700 -0.119 0.000 1.128 287 I N -1.400 119.189 120.570 0.032 0.000 2.934 287 I HA 0.831 5.002 4.170 0.002 0.000 0.306 287 I C -0.006 176.214 176.117 0.172 0.000 1.110 287 I CA -1.257 60.105 61.300 0.103 0.000 1.019 287 I CB 2.185 40.282 38.000 0.162 0.000 1.227 287 I HN 0.314 nan 8.210 nan 0.000 0.434 288 G N 1.255 110.133 108.800 0.130 0.000 2.588 288 G HA2 0.241 4.203 3.960 0.002 0.000 0.281 288 G HA3 0.241 4.203 3.960 0.002 0.000 0.281 288 G C 0.025 175.042 174.900 0.195 0.000 1.236 288 G CA -0.287 44.885 45.100 0.120 0.000 0.969 288 G HN 0.889 nan 8.290 nan 0.000 0.504 289 Y N -1.683 118.741 120.300 0.206 0.000 2.516 289 Y HA 0.057 4.608 4.550 0.002 0.000 0.291 289 Y C 2.166 178.113 175.900 0.079 0.000 1.131 289 Y CA 0.914 59.127 58.100 0.188 0.000 1.281 289 Y CB -0.467 38.127 38.460 0.223 0.000 1.013 289 Y HN 0.485 nan 8.280 nan 0.000 0.554 290 N N 0.952 119.637 118.700 -0.024 0.000 2.084 290 N HA -0.183 4.559 4.740 0.002 0.000 0.190 290 N C 1.019 176.569 175.510 0.066 0.000 1.030 290 N CA 1.292 54.358 53.050 0.027 0.000 0.849 290 N CB -0.162 38.315 38.487 -0.017 0.000 1.012 290 N HN 0.334 nan 8.380 nan 0.000 0.423 291 D N 0.786 121.256 120.400 0.117 0.000 2.117 291 D HA -0.048 4.593 4.640 0.002 0.000 0.198 291 D C 1.922 178.276 176.300 0.090 0.000 0.982 291 D CA 0.696 54.827 54.000 0.218 0.000 0.828 291 D CB -0.319 40.650 40.800 0.281 0.000 0.967 291 D HN 0.243 nan 8.370 nan 0.000 0.464 292 A N 0.842 123.673 122.820 0.018 0.000 1.933 292 A HA -0.207 4.115 4.320 0.002 0.000 0.218 292 A C 2.094 179.526 177.584 -0.254 0.000 1.175 292 A CA 1.662 53.576 52.037 -0.206 0.000 0.628 292 A CB -0.571 18.090 19.000 -0.565 0.000 0.814 292 A HN 0.244 nan 8.150 nan 0.000 0.444 293 E N -0.184 119.923 120.200 -0.155 0.000 2.118 293 E HA -0.194 4.157 4.350 0.002 0.000 0.195 293 E C 1.790 178.259 176.600 -0.217 0.000 0.992 293 E CA 1.396 57.683 56.400 -0.187 0.000 0.804 293 E CB -0.230 29.415 29.700 -0.092 0.000 0.741 293 E HN 0.699 nan 8.360 nan 0.000 0.458 294 I N 0.525 120.965 120.570 -0.217 0.000 2.252 294 I HA -0.279 3.892 4.170 0.002 0.000 0.245 294 I C 2.251 178.276 176.117 -0.153 0.000 1.102 294 I CA 0.830 61.955 61.300 -0.293 0.000 1.385 294 I CB -0.123 37.447 38.000 -0.716 0.000 1.064 294 I HN 0.184 nan 8.210 nan 0.000 0.414 295 L N -0.092 121.056 121.223 -0.124 0.000 2.156 295 L HA -0.160 4.181 4.340 0.002 0.000 0.208 295 L C 2.342 179.268 176.870 0.094 0.000 1.095 295 L CA 1.105 55.965 54.840 0.034 0.000 0.770 295 L CB -0.321 41.785 42.059 0.077 0.000 0.914 295 L HN 0.258 nan 8.230 nan 0.000 0.439 296 L N -0.840 120.321 121.223 -0.102 0.000 2.270 296 L HA -0.068 4.273 4.340 0.002 0.000 0.210 296 L C 2.682 179.441 176.870 -0.184 0.000 1.104 296 L CA 0.416 55.148 54.840 -0.180 0.000 0.804 296 L CB -0.341 41.437 42.059 -0.467 0.000 0.937 296 L HN 0.209 nan 8.230 nan 0.000 0.450 297 R N 0.261 120.608 120.500 -0.255 0.000 2.103 297 R HA -0.223 4.119 4.340 0.002 0.000 0.242 297 R C 1.305 177.309 176.300 -0.494 0.000 1.142 297 R CA 1.949 57.770 56.100 -0.466 0.000 0.960 297 R CB -0.179 29.718 30.300 -0.672 0.000 0.858 297 R HN 0.281 nan 8.270 nan 0.000 0.439 298 Y N 0.173 120.447 120.300 -0.043 0.000 2.524 298 Y HA 0.275 4.826 4.550 0.002 0.000 0.266 298 Y C 0.036 176.109 175.900 0.289 0.000 1.180 298 Y CA -0.493 57.622 58.100 0.025 0.000 1.244 298 Y CB 0.242 38.606 38.460 -0.160 0.000 1.125 298 Y HN -0.031 nan 8.280 nan 0.000 0.524 299 L N 0.370 121.810 121.223 0.360 0.000 2.525 299 L HA 0.114 4.455 4.340 0.002 0.000 0.278 299 L C 1.167 178.129 176.870 0.153 0.000 1.218 299 L CA 0.410 55.409 54.840 0.265 0.000 0.878 299 L CB 0.371 42.499 42.059 0.115 0.000 1.127 299 L HN 0.365 nan 8.230 nan 0.000 0.492 300 G N 0.969 109.838 108.800 0.114 0.000 3.039 300 G HA2 0.657 4.618 3.960 0.002 0.000 0.159 300 G HA3 0.657 4.618 3.960 0.002 0.000 0.159 300 G C 0.197 175.123 174.900 0.045 0.000 1.284 300 G CA -0.076 45.072 45.100 0.079 0.000 0.996 300 G HN 1.005 nan 8.290 nan 0.000 0.592 301 G N -0.329 108.491 108.800 0.032 0.000 2.552 301 G HA2 -0.109 3.852 3.960 0.002 0.000 0.265 301 G HA3 -0.109 3.852 3.960 0.002 0.000 0.265 301 G C 0.562 175.473 174.900 0.018 0.000 1.234 301 G CA 0.329 45.441 45.100 0.020 0.000 0.944 301 G HN 1.677 nan 8.290 nan 0.000 0.568 302 I N -0.297 120.279 120.570 0.009 0.000 2.696 302 I HA 0.613 4.784 4.170 0.002 0.000 0.284 302 I C 0.979 177.100 176.117 0.007 0.000 1.129 302 I CA -0.246 61.051 61.300 -0.005 0.000 1.410 302 I CB 0.656 38.637 38.000 -0.032 0.000 1.399 302 I HN 1.410 nan 8.210 nan 0.000 0.579 303 A N 6.459 129.280 122.820 0.001 0.000 2.448 303 A HA 0.412 4.734 4.320 0.002 0.000 0.239 303 A C -2.091 175.499 177.584 0.009 0.000 1.080 303 A CA -1.100 50.947 52.037 0.016 0.000 0.779 303 A CB -0.839 18.165 19.000 0.007 0.000 1.026 303 A HN 0.744 nan 8.150 nan 0.000 0.499 304 P HA 0.060 nan 4.420 nan 0.000 0.266 304 P C -2.070 175.198 177.300 -0.053 0.000 1.195 304 P CA -0.809 62.337 63.100 0.077 0.000 0.768 304 P CB 0.145 31.971 31.700 0.210 0.000 0.838 305 P HA -0.032 nan 4.420 nan 0.000 0.227 305 P C -0.230 177.000 177.300 -0.117 0.000 1.161 305 P CA 1.182 64.130 63.100 -0.254 0.000 0.788 305 P CB 0.272 31.669 31.700 -0.506 0.000 0.822 306 D N -3.208 117.174 120.400 -0.030 0.000 2.725 306 D HA 0.142 4.784 4.640 0.002 0.000 0.292 306 D C 0.284 176.665 176.300 0.135 0.000 1.288 306 D CA -0.861 53.173 54.000 0.057 0.000 0.784 306 D CB 0.442 41.284 40.800 0.070 0.000 1.308 306 D HN -0.403 nan 8.370 nan 0.000 0.429 307 K N -0.388 120.074 120.400 0.103 0.000 2.280 307 K HA -0.089 4.233 4.320 0.002 0.000 0.202 307 K C 1.710 178.376 176.600 0.111 0.000 1.047 307 K CA 1.530 57.869 56.287 0.086 0.000 0.942 307 K CB -0.207 32.323 32.500 0.050 0.000 0.739 307 K HN 0.478 nan 8.250 nan 0.000 0.457 308 S N -0.615 115.193 115.700 0.179 0.000 2.515 308 S HA -0.120 4.352 4.470 0.002 0.000 0.231 308 S C 1.207 175.901 174.600 0.157 0.000 0.987 308 S CA 0.227 58.531 58.200 0.173 0.000 0.936 308 S CB -0.239 63.081 63.200 0.199 0.000 0.766 308 S HN 0.388 nan 8.310 nan 0.000 0.528 309 W N 2.032 123.339 121.300 0.012 0.000 3.197 309 W HA 0.441 5.102 4.660 0.001 0.000 0.274 309 W C 0.484 176.989 176.519 -0.023 0.000 1.297 309 W CA -0.649 56.722 57.345 0.043 0.000 1.662 309 W CB 0.229 29.756 29.460 0.112 0.000 1.106 309 W HN 0.097 nan 8.180 nan 0.000 0.663 310 K N 0.354 120.732 120.400 -0.037 0.000 2.211 310 K HA 0.463 4.785 4.320 0.002 0.000 0.275 310 K C 0.755 176.926 176.600 -0.716 0.000 1.024 310 K CA -0.293 55.675 56.287 -0.531 0.000 0.887 310 K CB 1.600 33.947 32.500 -0.255 0.000 1.084 310 K HN -0.082 nan 8.250 nan 0.000 0.463 311 G N 0.874 108.816 108.800 -1.430 0.000 2.582 311 G HA2 0.334 4.295 3.960 0.002 0.000 0.232 311 G HA3 0.334 4.295 3.960 0.002 0.000 0.232 311 G C 0.272 174.972 174.900 -0.333 0.000 1.458 311 G CA -0.119 44.607 45.100 -0.624 0.000 1.062 311 G HN 0.583 nan 8.290 nan 0.000 0.566 312 A N -1.387 121.416 122.820 -0.029 0.000 2.431 312 A HA 0.530 4.852 4.320 0.002 0.000 0.239 312 A C 0.909 178.522 177.584 0.047 0.000 1.230 312 A CA -0.282 51.750 52.037 -0.007 0.000 0.928 312 A CB -0.198 18.769 19.000 -0.056 0.000 1.006 312 A HN 0.331 nan 8.150 nan 0.000 0.520 313 L N 0.002 121.342 121.223 0.194 0.000 2.472 313 L HA 0.138 4.479 4.340 0.002 0.000 0.260 313 L C 0.827 177.739 176.870 0.070 0.000 1.209 313 L CA -0.500 54.390 54.840 0.083 0.000 0.817 313 L CB 0.230 42.311 42.059 0.037 0.000 1.106 313 L HN 0.242 nan 8.230 nan 0.000 0.479 314 N N 1.434 120.116 118.700 -0.029 0.000 3.243 314 N HA 0.213 4.954 4.740 0.002 0.000 0.310 314 N C -0.973 174.467 175.510 -0.116 0.000 1.313 314 N CA -0.239 52.781 53.050 -0.051 0.000 1.204 314 N CB -0.293 38.155 38.487 -0.064 0.000 1.483 314 N HN 0.397 nan 8.380 nan 0.000 0.553 315 V N -2.175 117.656 119.914 -0.139 0.000 3.160 315 V HA 0.555 4.676 4.120 0.002 0.000 0.310 315 V C 1.090 177.075 176.094 -0.182 0.000 1.181 315 V CA -0.320 61.817 62.300 -0.272 0.000 1.047 315 V CB 1.097 32.627 31.823 -0.489 0.000 1.068 315 V HN 0.163 nan 8.190 nan 0.000 0.441 316 S N -0.721 114.867 115.700 -0.187 0.000 2.461 316 S HA 0.012 4.483 4.470 0.002 0.000 0.228 316 S C 0.842 175.493 174.600 0.084 0.000 1.005 316 S CA 1.143 59.323 58.200 -0.033 0.000 0.942 316 S CB -0.942 62.233 63.200 -0.040 0.000 0.776 316 S HN 1.478 nan 8.310 nan 0.000 0.514 317 Y N 1.330 121.550 120.300 -0.135 0.000 4.177 317 Y HA -0.231 4.320 4.550 0.002 0.000 0.227 317 Y C 0.728 176.617 175.900 -0.018 0.000 1.154 317 Y CA 0.403 58.394 58.100 -0.182 0.000 1.887 317 Y CB -2.698 35.690 38.460 -0.121 0.000 1.594 317 Y HN 0.236 nan 8.280 nan 0.000 0.668 318 S N 0.687 116.417 115.700 0.050 0.000 2.576 318 S HA 0.152 4.623 4.470 0.002 0.000 0.272 318 S C 1.446 176.139 174.600 0.155 0.000 1.352 318 S CA -0.104 58.150 58.200 0.090 0.000 1.021 318 S CB 0.681 63.908 63.200 0.046 0.000 0.887 318 S HN 0.255 nan 8.310 nan 0.000 0.542 319 I N 0.952 121.619 120.570 0.161 0.000 3.035 319 I HA 0.168 4.339 4.170 0.002 0.000 0.271 319 I C 1.605 177.811 176.117 0.149 0.000 1.190 319 I CA 1.086 62.520 61.300 0.223 0.000 1.472 319 I CB -2.172 35.901 38.000 0.122 0.000 1.116 319 I HN 0.914 nan 8.210 nan 0.000 0.443 320 G N 2.353 111.197 108.800 0.073 0.000 2.698 320 G HA2 -0.183 3.778 3.960 0.002 0.000 0.233 320 G HA3 -0.183 3.778 3.960 0.002 0.000 0.233 320 G C -2.604 172.304 174.900 0.014 0.000 1.352 320 G CA -0.626 44.481 45.100 0.012 0.000 0.879 320 G HN 0.143 nan 8.290 nan 0.000 0.567 321 P HA 0.531 nan 4.420 nan 0.000 0.277 321 P C 0.677 177.912 177.300 -0.108 0.000 1.240 321 P CA 1.554 64.618 63.100 -0.060 0.000 0.798 321 P CB 0.954 32.630 31.700 -0.040 0.000 0.979 322 G N 0.751 109.402 108.800 -0.249 0.000 2.746 322 G HA2 -0.111 3.850 3.960 0.002 0.000 0.685 322 G HA3 -0.111 3.850 3.960 0.002 0.000 0.685 322 G C -1.152 173.554 174.900 -0.322 0.000 1.350 322 G CA -0.891 44.011 45.100 -0.330 0.000 0.837 322 G HN 0.335 nan 8.290 nan 0.000 0.564 323 F N -0.315 119.689 119.950 0.090 0.000 2.497 323 F HA 0.802 5.331 4.527 0.003 0.000 0.331 323 F C 0.965 176.812 175.800 0.078 0.000 1.060 323 F CA -0.037 58.033 58.000 0.115 0.000 0.989 323 F CB 2.650 41.748 39.000 0.163 0.000 1.245 323 F HN 0.651 nan 8.300 nan 0.000 0.486 324 T N -0.460 114.282 114.554 0.313 0.000 2.923 324 T HA 0.498 4.849 4.350 0.002 0.000 0.311 324 T C 0.118 174.906 174.700 0.147 0.000 1.183 324 T CA 0.091 62.291 62.100 0.167 0.000 1.020 324 T CB 1.329 70.271 68.868 0.123 0.000 1.165 324 T HN 1.075 nan 8.240 nan 0.000 0.482 325 G N 1.915 110.744 108.800 0.050 0.000 2.159 325 G HA2 -0.181 3.780 3.960 0.002 0.000 0.256 325 G HA3 -0.181 3.780 3.960 0.002 0.000 0.256 325 G C 0.279 175.054 174.900 -0.209 0.000 0.977 325 G CA 0.710 45.821 45.100 0.019 0.000 0.652 325 G HN 1.091 nan 8.290 nan 0.000 0.531 329 F N 3.474 123.276 119.950 -0.247 0.000 2.438 329 F HA 0.533 5.061 4.527 0.002 0.000 0.360 329 F C 1.427 177.216 175.800 -0.018 0.000 1.118 329 F CA -0.460 57.358 58.000 -0.304 0.000 1.164 329 F CB 0.499 39.034 39.000 -0.774 0.000 1.131 329 F HN 0.072 nan 8.300 nan 0.000 0.527 330 R N 1.588 122.242 120.500 0.258 0.000 2.306 330 R HA 0.208 4.550 4.340 0.002 0.000 0.183 330 R C -0.109 176.402 176.300 0.352 0.000 0.937 330 R CA 0.617 56.896 56.100 0.299 0.000 1.118 330 R CB 0.681 31.050 30.300 0.114 0.000 1.224 330 R HN 0.348 nan 8.270 nan 0.000 0.597 331 K N 0.734 121.297 120.400 0.272 0.000 2.482 331 K HA 0.398 4.719 4.320 0.002 0.000 0.257 331 K C -1.061 175.677 176.600 0.230 0.000 0.969 331 K CA -0.788 55.625 56.287 0.210 0.000 0.842 331 K CB 2.774 35.335 32.500 0.101 0.000 1.359 331 K HN -0.136 nan 8.250 nan 0.000 0.441 332 V N 1.459 121.485 119.914 0.186 0.000 2.547 332 V HA 0.494 4.615 4.120 0.002 0.000 0.299 332 V C 0.033 176.188 176.094 0.102 0.000 1.040 332 V CA -0.839 61.558 62.300 0.161 0.000 0.913 332 V CB 1.801 33.737 31.823 0.190 0.000 0.992 332 V HN 0.602 nan 8.190 nan 0.000 0.449 333 R N 3.758 124.316 120.500 0.096 0.000 2.670 333 R HA 0.761 5.103 4.340 0.002 0.000 0.289 333 R C -1.040 175.288 176.300 0.045 0.000 0.965 333 R CA -0.648 55.496 56.100 0.073 0.000 0.899 333 R CB 1.650 32.010 30.300 0.099 0.000 1.173 333 R HN 0.732 nan 8.270 nan 0.000 0.456 334 M N 1.947 121.544 119.600 -0.005 0.000 2.578 334 M HA 0.294 4.776 4.480 0.002 0.000 0.321 334 M C -0.950 175.253 176.300 -0.161 0.000 1.182 334 M CA -0.796 54.456 55.300 -0.081 0.000 0.965 334 M CB 2.074 34.631 32.600 -0.071 0.000 1.694 334 M HN 0.634 nan 8.290 nan 0.000 0.461 335 H N 0.873 119.659 119.070 -0.473 0.000 3.092 335 H HA 0.620 5.178 4.556 0.002 0.000 0.308 335 H C -2.174 172.903 175.328 -0.418 0.000 1.047 335 H CA -0.463 55.284 56.048 -0.502 0.000 1.466 335 H CB 0.978 30.044 29.762 -1.160 0.000 1.597 335 H HN 0.405 nan 8.280 nan 0.000 0.512 336 V N 6.340 125.917 119.914 -0.562 0.000 2.525 336 V HA 0.209 4.330 4.120 0.002 0.000 0.299 336 V C -0.971 174.646 176.094 -0.796 0.000 1.034 336 V CA -0.540 61.477 62.300 -0.471 0.000 0.863 336 V CB 1.154 32.779 31.823 -0.331 0.000 0.999 336 V HN 0.786 nan 8.190 nan 0.000 0.423 337 Y N 2.670 122.863 120.300 -0.178 0.000 2.658 337 Y HA 0.352 4.903 4.550 0.002 0.000 0.273 337 Y C 0.908 176.774 175.900 -0.057 0.000 0.992 337 Y CA -0.853 57.169 58.100 -0.131 0.000 1.105 337 Y CB 0.546 38.911 38.460 -0.158 0.000 1.188 337 Y HN 0.573 nan 8.280 nan 0.000 0.616 338 N N 1.420 120.117 118.700 -0.004 0.000 2.416 338 N HA 0.190 4.931 4.740 0.002 0.000 0.246 338 N C -0.295 175.236 175.510 0.034 0.000 1.260 338 N CA 0.422 53.485 53.050 0.021 0.000 0.897 338 N CB 1.282 39.806 38.487 0.061 0.000 1.110 338 N HN 0.291 nan 8.380 nan 0.000 0.439 339 I N 1.633 122.230 120.570 0.045 0.000 2.359 339 I HA 0.172 4.344 4.170 0.002 0.000 0.294 339 I C -0.087 176.057 176.117 0.045 0.000 0.987 339 I CA -0.768 60.568 61.300 0.059 0.000 1.225 339 I CB 1.005 39.052 38.000 0.079 0.000 1.366 339 I HN 0.185 nan 8.210 nan 0.000 0.466 340 N N 6.881 125.609 118.700 0.046 0.000 2.421 340 N HA 0.469 5.210 4.740 0.002 0.000 0.285 340 N C -1.007 174.538 175.510 0.059 0.000 1.027 340 N CA -0.615 52.461 53.050 0.043 0.000 0.918 340 N CB 1.730 40.283 38.487 0.110 0.000 1.152 340 N HN 0.576 nan 8.380 nan 0.000 0.485 341 K N 0.206 120.639 120.400 0.055 0.000 2.542 341 K HA 0.454 4.775 4.320 0.002 0.000 0.259 341 K C -0.992 175.634 176.600 0.043 0.000 0.932 341 K CA -0.686 55.635 56.287 0.057 0.000 0.820 341 K CB 1.196 33.740 32.500 0.072 0.000 1.345 341 K HN 0.273 nan 8.250 nan 0.000 0.432 342 I N 2.614 123.198 120.570 0.024 0.000 2.598 342 I HA 0.057 4.229 4.170 0.002 0.000 0.284 342 I C -0.426 175.693 176.117 0.003 0.000 1.140 342 I CA 0.622 61.926 61.300 0.006 0.000 1.420 342 I CB 0.786 38.780 38.000 -0.010 0.000 1.387 342 I HN 0.647 nan 8.210 nan 0.000 0.553 343 T N 5.909 120.458 114.554 -0.008 0.000 2.912 343 T HA 0.337 4.688 4.350 0.002 0.000 0.299 343 T C -0.323 174.349 174.700 -0.047 0.000 1.052 343 T CA -0.790 61.303 62.100 -0.010 0.000 0.996 343 T CB 1.821 70.707 68.868 0.030 0.000 1.070 343 T HN 0.510 nan 8.240 nan 0.000 0.465 344 R N 2.596 123.045 120.500 -0.085 0.000 2.438 344 R HA 0.581 4.922 4.340 0.002 0.000 0.287 344 R C -0.174 175.990 176.300 -0.227 0.000 1.077 344 R CA -0.331 55.649 56.100 -0.200 0.000 1.034 344 R CB 0.120 30.235 30.300 -0.308 0.000 0.993 344 R HN 0.711 nan 8.270 nan 0.000 0.459 345 I N 0.327 120.743 120.570 -0.258 0.000 2.846 345 I HA 0.500 4.671 4.170 0.002 0.000 0.307 345 I C -1.506 174.458 176.117 -0.256 0.000 1.053 345 I CA -1.244 59.986 61.300 -0.115 0.000 1.050 345 I CB 2.038 40.079 38.000 0.067 0.000 1.239 345 I HN 0.521 nan 8.210 nan 0.000 0.439 346 Y N 1.999 122.433 120.300 0.224 0.000 2.331 346 Y HA 0.461 5.013 4.550 0.002 0.000 0.326 346 Y C -0.444 175.578 175.900 0.204 0.000 1.020 346 Y CA -0.822 57.413 58.100 0.224 0.000 1.136 346 Y CB 1.510 40.115 38.460 0.241 0.000 1.157 346 Y HN 0.505 nan 8.280 nan 0.000 0.444 347 N N 1.669 120.581 118.700 0.354 0.000 2.509 347 N HA 0.463 5.204 4.740 0.002 0.000 0.287 347 N C -0.939 174.641 175.510 0.116 0.000 1.121 347 N CA -0.510 52.704 53.050 0.274 0.000 0.977 347 N CB 2.074 40.794 38.487 0.389 0.000 1.167 347 N HN 0.273 nan 8.380 nan 0.000 0.476 348 V N 1.505 121.391 119.914 -0.047 0.000 2.394 348 V HA 0.398 4.520 4.120 0.002 0.000 0.282 348 V C 0.067 176.154 176.094 -0.012 0.000 1.031 348 V CA -0.683 61.538 62.300 -0.131 0.000 0.881 348 V CB 1.438 32.967 31.823 -0.490 0.000 0.982 348 V HN 0.277 nan 8.190 nan 0.000 0.451 349 V N 4.026 123.997 119.914 0.095 0.000 2.483 349 V HA 0.873 4.994 4.120 0.002 0.000 0.297 349 V C 0.491 176.718 176.094 0.222 0.000 1.027 349 V CA -0.128 62.208 62.300 0.059 0.000 0.855 349 V CB 1.635 33.421 31.823 -0.062 0.000 0.995 349 V HN 1.005 nan 8.190 nan 0.000 0.424 350 G N 2.476 111.400 108.800 0.206 0.000 2.630 350 G HA2 0.873 4.834 3.960 0.002 0.000 0.296 350 G HA3 0.873 4.834 3.960 0.002 0.000 0.296 350 G C -0.628 174.302 174.900 0.049 0.000 1.285 350 G CA -0.314 44.858 45.100 0.119 0.000 0.958 350 G HN 0.805 nan 8.290 nan 0.000 0.479 351 T N -2.254 112.336 114.554 0.060 0.000 2.900 351 T HA 0.695 5.047 4.350 0.002 0.000 0.303 351 T C -0.929 173.819 174.700 0.079 0.000 1.142 351 T CA -0.657 61.483 62.100 0.066 0.000 1.007 351 T CB 1.774 70.663 68.868 0.036 0.000 1.156 351 T HN 0.440 nan 8.240 nan 0.000 0.490 352 I N 1.654 122.272 120.570 0.080 0.000 2.411 352 I HA 0.434 4.605 4.170 0.002 0.000 0.284 352 I C 0.358 176.468 176.117 -0.012 0.000 1.012 352 I CA -0.886 60.439 61.300 0.041 0.000 1.119 352 I CB 1.682 39.727 38.000 0.076 0.000 1.261 352 I HN 0.584 nan 8.210 nan 0.000 0.448 353 R N 4.253 124.748 120.500 -0.008 0.000 2.490 353 R HA 0.418 4.760 4.340 0.002 0.000 0.280 353 R C 0.341 176.609 176.300 -0.054 0.000 1.077 353 R CA -0.257 55.842 56.100 -0.003 0.000 1.065 353 R CB 1.037 31.346 30.300 0.015 0.000 1.003 353 R HN 0.794 nan 8.270 nan 0.000 0.470 354 G N 1.184 109.961 108.800 -0.038 0.000 2.483 354 G HA2 0.029 3.990 3.960 0.002 0.000 0.248 354 G HA3 0.029 3.990 3.960 0.002 0.000 0.248 354 G C 0.266 175.115 174.900 -0.085 0.000 1.248 354 G CA -0.565 44.484 45.100 -0.085 0.000 0.838 354 G HN 0.699 nan 8.290 nan 0.000 0.566 355 S N 0.476 116.102 115.700 -0.124 0.000 2.501 355 S HA 0.012 4.484 4.470 0.002 0.000 0.220 355 S C 1.905 176.465 174.600 -0.067 0.000 0.997 355 S CA 0.286 58.427 58.200 -0.098 0.000 0.919 355 S CB 0.263 63.385 63.200 -0.130 0.000 0.778 355 S HN 0.357 nan 8.310 nan 0.000 0.523 356 V N 0.391 120.265 119.914 -0.065 0.000 3.058 356 V HA 0.233 4.354 4.120 0.002 0.000 0.233 356 V C 0.152 176.222 176.094 -0.040 0.000 1.255 356 V CA 0.282 62.554 62.300 -0.047 0.000 1.267 356 V CB 0.194 31.990 31.823 -0.046 0.000 1.049 356 V HN 0.242 nan 8.190 nan 0.000 0.486 357 E N 1.673 121.845 120.200 -0.047 0.000 3.167 357 E HA 0.221 4.572 4.350 0.002 0.000 0.212 357 E C -2.075 174.502 176.600 -0.039 0.000 1.143 357 E CA -1.519 54.853 56.400 -0.046 0.000 1.002 357 E CB 1.329 30.996 29.700 -0.056 0.000 1.315 357 E HN 0.379 nan 8.360 nan 0.000 0.422 358 P HA -0.145 nan 4.420 nan 0.000 0.226 358 P C 0.445 177.772 177.300 0.045 0.000 1.153 358 P CA 1.000 64.116 63.100 0.026 0.000 0.777 358 P CB 0.191 31.910 31.700 0.032 0.000 0.794 359 D N -0.780 119.592 120.400 -0.048 0.000 2.434 359 D HA 0.037 4.678 4.640 0.002 0.000 0.232 359 D C 0.246 176.304 176.300 -0.403 0.000 1.166 359 D CA -0.162 53.738 54.000 -0.167 0.000 0.830 359 D CB -0.039 40.698 40.800 -0.104 0.000 0.960 359 D HN -0.032 nan 8.370 nan 0.000 0.497 360 R N 0.457 120.754 120.500 -0.340 0.000 2.628 360 R HA 0.389 4.730 4.340 0.002 0.000 0.288 360 R C -1.302 174.903 176.300 -0.159 0.000 0.980 360 R CA -0.665 55.234 56.100 -0.335 0.000 0.891 360 R CB 1.379 31.593 30.300 -0.143 0.000 1.188 360 R HN 0.011 nan 8.270 nan 0.000 0.450 361 Y N 0.096 120.423 120.300 0.045 0.000 2.446 361 Y HA 0.499 5.050 4.550 0.002 0.000 0.345 361 Y C 0.111 176.029 175.900 0.030 0.000 0.984 361 Y CA -1.147 56.978 58.100 0.042 0.000 1.058 361 Y CB 1.990 40.516 38.460 0.110 0.000 1.220 361 Y HN 0.106 nan 8.280 nan 0.000 0.455 362 V N 5.030 125.022 119.914 0.131 0.000 2.444 362 V HA 0.461 4.582 4.120 0.002 0.000 0.294 362 V C -0.272 175.764 176.094 -0.097 0.000 1.022 362 V CA -0.841 61.475 62.300 0.026 0.000 0.850 362 V CB 1.569 33.362 31.823 -0.050 0.000 0.992 362 V HN 0.583 nan 8.190 nan 0.000 0.426 363 I N 5.617 126.138 120.570 -0.082 0.000 2.336 363 I HA 0.412 4.584 4.170 0.002 0.000 0.292 363 I C -0.633 175.210 176.117 -0.457 0.000 0.991 363 I CA -0.589 60.572 61.300 -0.233 0.000 1.227 363 I CB 1.611 39.585 38.000 -0.043 0.000 1.366 363 I HN 0.389 nan 8.210 nan 0.000 0.466 364 L N 6.788 127.682 121.223 -0.548 0.000 2.318 364 L HA 0.771 5.112 4.340 0.002 0.000 0.277 364 L C -0.136 176.457 176.870 -0.461 0.000 1.008 364 L CA 0.148 54.683 54.840 -0.509 0.000 0.846 364 L CB 0.975 42.754 42.059 -0.467 0.000 1.220 364 L HN 0.616 nan 8.230 nan 0.000 0.423 365 G N 2.446 110.960 108.800 -0.476 0.000 2.542 365 G HA2 0.743 4.705 3.960 0.002 0.000 0.311 365 G HA3 0.743 4.705 3.960 0.002 0.000 0.311 365 G C -1.010 173.887 174.900 -0.005 0.000 1.298 365 G CA -0.373 44.527 45.100 -0.332 0.000 0.973 365 G HN 0.901 nan 8.290 nan 0.000 0.487 366 G N 0.170 108.920 108.800 -0.083 0.000 2.733 366 G HA2 0.601 4.563 3.960 0.002 0.000 0.297 366 G HA3 0.601 4.563 3.960 0.002 0.000 0.297 366 G C -0.821 174.236 174.900 0.262 0.000 1.422 366 G CA -0.791 44.435 45.100 0.209 0.000 0.942 366 G HN 1.145 nan 8.290 nan 0.000 0.510 367 H N -1.050 118.225 119.070 0.341 0.000 2.547 367 H HA 0.618 5.175 4.556 0.002 0.000 0.362 367 H C 1.120 176.551 175.328 0.173 0.000 1.181 367 H CA -0.366 55.865 56.048 0.305 0.000 1.376 367 H CB 1.230 31.178 29.762 0.311 0.000 1.488 367 H HN 0.590 nan 8.280 nan 0.000 0.583 368 R N 0.828 121.432 120.500 0.173 0.000 2.469 368 R HA 0.096 4.438 4.340 0.002 0.000 0.250 368 R C -0.707 175.730 176.300 0.228 0.000 0.909 368 R CA -0.161 55.971 56.100 0.052 0.000 1.050 368 R CB 0.096 30.357 30.300 -0.065 0.000 1.256 368 R HN 0.761 nan 8.270 nan 0.000 0.550 369 D N 2.260 122.846 120.400 0.310 0.000 2.372 369 D HA 0.097 4.738 4.640 0.002 0.000 0.243 369 D C -0.323 176.028 176.300 0.085 0.000 1.121 369 D CA -0.018 54.118 54.000 0.227 0.000 0.898 369 D CB 1.620 42.526 40.800 0.176 0.000 1.202 369 D HN 0.287 nan 8.370 nan 0.000 0.428 370 S N 0.570 116.133 115.700 -0.229 0.000 2.709 370 S HA 0.382 4.853 4.470 0.002 0.000 0.302 370 S C 0.282 174.579 174.600 -0.505 0.000 1.127 370 S CA -1.018 56.957 58.200 -0.375 0.000 0.905 370 S CB 1.051 63.901 63.200 -0.584 0.000 1.151 370 S HN 0.699 nan 8.310 nan 0.000 0.510 371 W N -0.192 120.955 121.300 -0.255 0.000 2.481 371 W HA 0.205 4.866 4.660 0.002 0.000 0.293 371 W C 1.368 177.735 176.519 -0.254 0.000 1.201 371 W CA 0.677 57.856 57.345 -0.278 0.000 1.328 371 W CB 0.013 29.203 29.460 -0.449 0.000 1.112 371 W HN 0.483 nan 8.180 nan 0.000 0.546 372 V N -2.328 117.515 119.914 -0.118 0.000 5.486 372 V HA 0.118 4.239 4.120 0.002 0.000 0.127 372 V C 0.756 176.555 176.094 -0.491 0.000 0.885 372 V CA -0.239 61.841 62.300 -0.368 0.000 1.394 372 V CB -0.695 30.875 31.823 -0.422 0.000 2.448 372 V HN -0.206 nan 8.190 nan 0.000 0.355 373 F N 1.709 121.618 119.950 -0.068 0.000 2.416 373 F HA 0.416 4.944 4.527 0.002 0.000 0.296 373 F C 1.916 177.750 175.800 0.057 0.000 1.099 373 F CA 0.882 58.889 58.000 0.011 0.000 1.427 373 F CB -0.792 38.205 39.000 -0.004 0.000 1.079 373 F HN 0.586 nan 8.300 nan 0.000 0.536 374 G N 0.680 109.572 108.800 0.154 0.000 2.323 374 G HA2 -0.248 3.713 3.960 0.002 0.000 0.292 374 G HA3 -0.248 3.713 3.960 0.002 0.000 0.292 374 G C 1.233 176.287 174.900 0.256 0.000 1.040 374 G CA 0.374 45.574 45.100 0.167 0.000 0.942 374 G HN 0.628 nan 8.290 nan 0.000 0.506 375 A N -0.947 122.032 122.820 0.265 0.000 1.969 375 A HA 0.206 4.527 4.320 0.002 0.000 0.218 375 A C 2.354 180.023 177.584 0.141 0.000 1.169 375 A CA 1.755 53.941 52.037 0.249 0.000 0.635 375 A CB -0.106 19.037 19.000 0.239 0.000 0.810 375 A HN 0.690 nan 8.150 nan 0.000 0.445 376 I N -1.087 119.525 120.570 0.070 0.000 2.368 376 I HA -0.010 4.161 4.170 0.002 0.000 0.238 376 I C 0.417 176.594 176.117 0.100 0.000 1.076 376 I CA 0.600 61.871 61.300 -0.047 0.000 1.397 376 I CB -0.001 37.776 38.000 -0.373 0.000 1.141 376 I HN 0.197 nan 8.210 nan 0.000 0.430 377 D N 2.099 122.645 120.400 0.243 0.000 2.412 377 D HA 0.166 4.807 4.640 0.002 0.000 0.224 377 D C -2.037 174.395 176.300 0.220 0.000 1.093 377 D CA -2.440 51.744 54.000 0.307 0.000 0.850 377 D CB 1.536 42.675 40.800 0.563 0.000 1.046 377 D HN 0.030 nan 8.370 nan 0.000 0.507 378 P HA 0.116 nan 4.420 nan 0.000 0.282 378 P C 0.661 177.973 177.300 0.020 0.000 1.373 378 P CA -0.044 62.997 63.100 -0.098 0.000 1.001 378 P CB 0.583 31.846 31.700 -0.727 0.000 1.489 379 T N 0.037 114.677 114.554 0.142 0.000 2.915 379 T HA -0.109 4.242 4.350 0.002 0.000 0.269 379 T C 2.009 176.833 174.700 0.207 0.000 1.071 379 T CA 1.935 64.158 62.100 0.204 0.000 1.132 379 T CB -0.624 68.446 68.868 0.337 0.000 0.878 379 T HN 0.300 nan 8.240 nan 0.000 0.479 380 S N 1.664 117.461 115.700 0.161 0.000 2.383 380 S HA -0.056 4.415 4.470 0.002 0.000 0.229 380 S C 2.408 177.085 174.600 0.127 0.000 1.030 380 S CA 1.190 59.477 58.200 0.145 0.000 1.002 380 S CB -1.134 62.099 63.200 0.055 0.000 0.829 380 S HN 0.525 nan 8.310 nan 0.000 0.467 381 G N 0.989 109.843 108.800 0.090 0.000 2.421 381 G HA2 -0.026 3.935 3.960 0.002 0.000 0.217 381 G HA3 -0.026 3.935 3.960 0.002 0.000 0.217 381 G C 1.399 176.344 174.900 0.076 0.000 1.143 381 G CA 0.747 45.893 45.100 0.077 0.000 0.784 381 G HN 0.472 nan 8.290 nan 0.000 0.541 382 V N 1.471 121.428 119.914 0.070 0.000 2.343 382 V HA -0.124 3.997 4.120 0.002 0.000 0.247 382 V C 3.296 179.467 176.094 0.128 0.000 1.051 382 V CA 1.987 64.307 62.300 0.034 0.000 1.036 382 V CB -0.724 31.069 31.823 -0.051 0.000 0.654 382 V HN 0.454 nan 8.190 nan 0.000 0.451 383 A N -0.347 122.624 122.820 0.252 0.000 1.902 383 A HA -0.153 4.168 4.320 0.002 0.000 0.217 383 A C 2.405 180.074 177.584 0.140 0.000 1.181 383 A CA 1.975 54.180 52.037 0.280 0.000 0.623 383 A CB -0.690 18.526 19.000 0.359 0.000 0.818 383 A HN 0.315 nan 8.150 nan 0.000 0.443 384 V N -0.178 119.816 119.914 0.134 0.000 2.287 384 V HA -0.231 3.890 4.120 0.002 0.000 0.248 384 V C 2.493 178.623 176.094 0.061 0.000 1.053 384 V CA 2.001 64.356 62.300 0.092 0.000 1.027 384 V CB -0.709 31.162 31.823 0.079 0.000 0.646 384 V HN 0.589 nan 8.190 nan 0.000 0.447 385 L N -0.012 121.253 121.223 0.071 0.000 2.046 385 L HA -0.147 4.194 4.340 0.002 0.000 0.208 385 L C 2.459 179.390 176.870 0.102 0.000 1.077 385 L CA 1.874 56.778 54.840 0.107 0.000 0.747 385 L CB -1.065 41.074 42.059 0.134 0.000 0.896 385 L HN 0.301 nan 8.230 nan 0.000 0.432 386 Q N -0.367 119.424 119.800 -0.014 0.000 2.084 386 Q HA -0.234 4.107 4.340 0.002 0.000 0.202 386 Q C 2.186 178.038 176.000 -0.247 0.000 0.978 386 Q CA 1.686 57.403 55.803 -0.145 0.000 0.844 386 Q CB -0.297 27.936 28.738 -0.841 0.000 0.898 386 Q HN 0.636 nan 8.270 nan 0.000 0.426 387 E N 0.729 120.829 120.200 -0.167 0.000 2.152 387 E HA -0.075 4.276 4.350 0.002 0.000 0.192 387 E C 1.868 178.412 176.600 -0.093 0.000 0.983 387 E CA 0.658 57.052 56.400 -0.011 0.000 0.818 387 E CB -0.234 29.553 29.700 0.144 0.000 0.758 387 E HN 0.361 nan 8.360 nan 0.000 0.467 388 I N 0.485 121.038 120.570 -0.027 0.000 2.179 388 I HA -0.253 3.918 4.170 0.002 0.000 0.242 388 I C 2.405 178.578 176.117 0.093 0.000 1.088 388 I CA 1.165 62.480 61.300 0.025 0.000 1.357 388 I CB -0.453 37.635 38.000 0.147 0.000 1.051 388 I HN 0.214 nan 8.210 nan 0.000 0.409 389 A N 0.584 123.427 122.820 0.039 0.000 1.933 389 A HA -0.239 4.082 4.320 0.002 0.000 0.218 389 A C 2.454 179.845 177.584 -0.321 0.000 1.175 389 A CA 1.632 53.563 52.037 -0.177 0.000 0.628 389 A CB -0.654 18.078 19.000 -0.447 0.000 0.814 389 A HN 0.347 nan 8.150 nan 0.000 0.444 390 R N -0.596 119.457 120.500 -0.745 0.000 2.081 390 R HA -0.112 4.230 4.340 0.002 0.000 0.235 390 R C 2.445 178.482 176.300 -0.440 0.000 1.131 390 R CA 1.691 57.118 56.100 -1.122 0.000 0.960 390 R CB -0.305 29.325 30.300 -1.116 0.000 0.856 390 R HN 0.497 nan 8.270 nan 0.000 0.436 391 S N -0.429 115.082 115.700 -0.315 0.000 2.383 391 S HA -0.084 4.387 4.470 0.002 0.000 0.227 391 S C 1.625 176.067 174.600 -0.264 0.000 1.026 391 S CA 0.865 58.886 58.200 -0.299 0.000 0.981 391 S CB -0.227 62.754 63.200 -0.364 0.000 0.818 391 S HN 0.342 nan 8.310 nan 0.000 0.472 392 F N 1.928 121.808 119.950 -0.117 0.000 2.171 392 F HA 0.078 4.606 4.527 0.002 0.000 0.300 392 F C 2.596 178.422 175.800 0.043 0.000 1.090 392 F CA 1.045 59.040 58.000 -0.008 0.000 1.293 392 F CB -1.105 38.011 39.000 0.192 0.000 1.013 392 F HN 0.335 nan 8.300 nan 0.000 0.486 393 G N -0.218 108.674 108.800 0.153 0.000 2.442 393 G HA2 -0.218 3.743 3.960 0.002 0.000 0.219 393 G HA3 -0.218 3.743 3.960 0.002 0.000 0.219 393 G C 1.893 176.851 174.900 0.097 0.000 1.141 393 G CA 0.623 45.804 45.100 0.136 0.000 0.763 393 G HN 0.125 nan 8.290 nan 0.000 0.554 394 K N 0.258 120.659 120.400 0.001 0.000 2.057 394 K HA 0.077 4.398 4.320 0.002 0.000 0.207 394 K C 2.545 179.151 176.600 0.010 0.000 1.049 394 K CA 0.487 56.763 56.287 -0.018 0.000 0.931 394 K CB -0.580 31.863 32.500 -0.096 0.000 0.714 394 K HN 0.354 nan 8.250 nan 0.000 0.440 395 L N 0.397 121.612 121.223 -0.013 0.000 2.012 395 L HA -0.169 4.172 4.340 0.002 0.000 0.210 395 L C 2.636 179.669 176.870 0.272 0.000 1.073 395 L CA 1.287 56.141 54.840 0.023 0.000 0.748 395 L CB -0.480 41.437 42.059 -0.237 0.000 0.891 395 L HN 0.173 nan 8.230 nan 0.000 0.431 396 M N -0.318 119.500 119.600 0.363 0.000 2.149 396 M HA -0.183 4.298 4.480 0.002 0.000 0.261 396 M C 2.530 178.950 176.300 0.201 0.000 1.064 396 M CA 2.034 57.536 55.300 0.337 0.000 1.102 396 M CB -0.511 32.259 32.600 0.283 0.000 1.369 396 M HN 0.395 nan 8.290 nan 0.000 0.408 397 S N -0.050 115.739 115.700 0.149 0.000 2.442 397 S HA -0.071 4.400 4.470 0.002 0.000 0.236 397 S C 1.579 176.236 174.600 0.095 0.000 1.007 397 S CA 0.780 59.042 58.200 0.103 0.000 0.965 397 S CB -0.222 63.024 63.200 0.077 0.000 0.773 397 S HN 0.365 nan 8.310 nan 0.000 0.504 398 K N 0.571 121.040 120.400 0.114 0.000 2.372 398 K HA 0.306 4.627 4.320 0.002 0.000 0.200 398 K C 1.195 177.877 176.600 0.137 0.000 1.022 398 K CA 0.553 56.904 56.287 0.105 0.000 1.125 398 K CB 0.375 32.927 32.500 0.086 0.000 0.855 398 K HN 0.574 nan 8.250 nan 0.000 0.524 399 G N 1.302 110.200 108.800 0.162 0.000 2.179 399 G HA2 -0.232 3.729 3.960 0.002 0.000 0.220 399 G HA3 -0.232 3.729 3.960 0.002 0.000 0.220 399 G C -0.234 174.784 174.900 0.196 0.000 0.990 399 G CA -0.110 45.078 45.100 0.146 0.000 0.646 399 G HN 0.380 nan 8.290 nan 0.000 0.517 400 W N 2.680 124.025 121.300 0.074 0.000 2.170 400 W HA 0.713 5.374 4.660 0.002 0.000 0.336 400 W C 0.234 176.814 176.519 0.102 0.000 1.283 400 W CA -0.256 57.148 57.345 0.097 0.000 1.224 400 W CB 0.563 30.097 29.460 0.122 0.000 1.132 400 W HN 0.110 nan 8.180 nan 0.000 0.571 401 R N 5.909 125.894 120.500 -0.859 0.000 2.651 401 R HA 0.369 4.711 4.340 0.002 0.000 0.278 401 R C -2.526 172.863 176.300 -1.518 0.000 1.010 401 R CA -2.144 53.344 56.100 -1.020 0.000 0.896 401 R CB 1.353 31.394 30.300 -0.431 0.000 1.211 401 R HN 0.353 nan 8.270 nan 0.000 0.456 402 P HA 0.160 nan 4.420 nan 0.000 0.272 402 P C 0.281 177.371 177.300 -0.350 0.000 1.230 402 P CA -0.344 62.327 63.100 -0.715 0.000 0.788 402 P CB 1.309 32.808 31.700 -0.336 0.000 0.949 403 R N 1.523 121.916 120.500 -0.177 0.000 2.062 403 R HA -0.062 4.279 4.340 0.002 0.000 0.231 403 R C 0.920 177.160 176.300 -0.100 0.000 1.136 403 R CA 1.164 57.193 56.100 -0.117 0.000 0.948 403 R CB 0.096 30.353 30.300 -0.072 0.000 0.845 403 R HN 0.477 nan 8.270 nan 0.000 0.430 404 R N -0.394 120.054 120.500 -0.087 0.000 2.705 404 R HA 0.268 4.609 4.340 0.002 0.000 0.246 404 R C -0.506 175.768 176.300 -0.042 0.000 1.142 404 R CA -0.628 55.439 56.100 -0.054 0.000 1.114 404 R CB 1.124 31.396 30.300 -0.046 0.000 1.256 404 R HN -0.025 nan 8.270 nan 0.000 0.536 405 T N 1.634 116.209 114.554 0.036 0.000 2.806 405 T HA 0.358 4.709 4.350 0.002 0.000 0.290 405 T C 0.271 174.970 174.700 -0.001 0.000 0.966 405 T CA -0.369 61.765 62.100 0.057 0.000 1.060 405 T CB 0.391 69.392 68.868 0.222 0.000 0.927 405 T HN 0.240 nan 8.240 nan 0.000 0.485 406 I N 4.022 124.514 120.570 -0.131 0.000 2.365 406 I HA 0.369 4.541 4.170 0.002 0.000 0.291 406 I C 0.010 175.930 176.117 -0.327 0.000 1.004 406 I CA -0.503 60.599 61.300 -0.330 0.000 1.311 406 I CB 0.866 38.499 38.000 -0.611 0.000 1.401 406 I HN 0.428 nan 8.210 nan 0.000 0.491 407 I N 6.426 126.766 120.570 -0.382 0.000 2.330 407 I HA 0.314 4.485 4.170 0.002 0.000 0.289 407 I C -0.609 175.176 176.117 -0.553 0.000 1.001 407 I CA -0.374 60.729 61.300 -0.329 0.000 1.193 407 I CB 0.771 38.648 38.000 -0.204 0.000 1.345 407 I HN 0.341 nan 8.210 nan 0.000 0.461 408 F N 4.819 124.491 119.950 -0.464 0.000 2.394 408 F HA 0.683 5.211 4.527 0.002 0.000 0.340 408 F C 0.547 176.043 175.800 -0.507 0.000 1.105 408 F CA -0.432 57.200 58.000 -0.613 0.000 1.124 408 F CB 1.543 39.843 39.000 -1.167 0.000 1.145 408 F HN 0.441 nan 8.300 nan 0.000 0.505 409 A N 1.787 124.399 122.820 -0.348 0.000 2.427 409 A HA 0.578 4.900 4.320 0.002 0.000 0.298 409 A C -0.982 176.227 177.584 -0.625 0.000 1.036 409 A CA -0.647 50.979 52.037 -0.684 0.000 0.701 409 A CB 1.536 19.484 19.000 -1.752 0.000 1.250 409 A HN 0.561 nan 8.150 nan 0.000 0.412 410 S N 2.396 117.880 115.700 -0.360 0.000 2.448 410 S HA 0.574 5.045 4.470 0.002 0.000 0.320 410 S C -0.848 173.656 174.600 -0.160 0.000 1.071 410 S CA -0.351 57.688 58.200 -0.269 0.000 1.113 410 S CB -0.082 62.962 63.200 -0.261 0.000 0.972 410 S HN 0.528 nan 8.310 nan 0.000 0.465 411 W N 2.830 124.201 121.300 0.119 0.000 2.375 411 W HA 0.451 5.112 4.660 0.003 0.000 0.336 411 W C 0.567 177.185 176.519 0.164 0.000 1.160 411 W CA -0.818 56.614 57.345 0.144 0.000 1.266 411 W CB 0.632 30.203 29.460 0.184 0.000 1.195 411 W HN 0.499 nan 8.180 nan 0.000 0.599 412 D N 0.047 120.718 120.400 0.451 0.000 2.326 412 D HA 0.409 5.050 4.640 0.002 0.000 0.248 412 D C 0.344 176.789 176.300 0.242 0.000 1.001 412 D CA 0.144 54.332 54.000 0.312 0.000 0.961 412 D CB 1.693 42.662 40.800 0.282 0.000 1.183 412 D HN 0.564 nan 8.370 nan 0.000 0.502 413 A N 1.571 124.506 122.820 0.191 0.000 2.799 413 A HA -0.231 4.091 4.320 0.002 0.000 0.287 413 A C 1.499 179.165 177.584 0.138 0.000 1.484 413 A CA 1.406 53.548 52.037 0.174 0.000 0.813 413 A CB -1.842 17.212 19.000 0.090 0.000 1.009 413 A HN 0.639 nan 8.150 nan 0.000 0.545 414 E N 0.058 120.281 120.200 0.038 0.000 2.153 414 E HA -0.201 4.150 4.350 0.002 0.000 0.194 414 E C 1.451 177.964 176.600 -0.145 0.000 0.988 414 E CA 1.497 57.799 56.400 -0.163 0.000 0.811 414 E CB -0.067 29.278 29.700 -0.591 0.000 0.746 414 E HN 0.765 nan 8.360 nan 0.000 0.466 415 E N -0.582 119.521 120.200 -0.160 0.000 2.418 415 E HA -0.098 4.253 4.350 0.002 0.000 0.197 415 E C 1.033 177.541 176.600 -0.153 0.000 1.026 415 E CA 0.378 56.630 56.400 -0.246 0.000 0.862 415 E CB -0.191 28.954 29.700 -0.925 0.000 0.799 415 E HN 0.328 nan 8.360 nan 0.000 0.518 416 F N -0.252 119.714 119.950 0.026 0.000 2.641 416 F HA 0.295 4.823 4.527 0.002 0.000 0.302 416 F C 1.208 177.110 175.800 0.171 0.000 1.098 416 F CA 0.249 58.386 58.000 0.228 0.000 1.318 416 F CB 1.072 40.195 39.000 0.206 0.000 1.035 416 F HN 0.001 nan 8.300 nan 0.000 0.551 417 G N 0.229 109.126 108.800 0.161 0.000 2.188 417 G HA2 -0.135 3.826 3.960 0.002 0.000 0.112 417 G HA3 -0.135 3.826 3.960 0.002 0.000 0.112 417 G C 0.352 175.208 174.900 -0.073 0.000 1.048 417 G CA -0.377 44.734 45.100 0.019 0.000 0.720 417 G HN 0.296 nan 8.290 nan 0.000 0.487 418 L N -1.647 119.525 121.223 -0.085 0.000 3.865 418 L HA -0.257 4.084 4.340 0.002 0.000 0.408 418 L C 2.029 178.796 176.870 -0.173 0.000 1.209 418 L CA 0.770 55.511 54.840 -0.165 0.000 0.940 418 L CB -2.017 39.907 42.059 -0.224 0.000 1.971 418 L HN 0.406 nan 8.230 nan 0.000 0.899 419 L N -0.276 120.895 121.223 -0.087 0.000 2.044 419 L HA -0.035 4.306 4.340 0.002 0.000 0.205 419 L C 2.570 179.357 176.870 -0.140 0.000 1.075 419 L CA 1.885 56.661 54.840 -0.107 0.000 0.747 419 L CB -0.559 41.486 42.059 -0.022 0.000 0.903 419 L HN 0.550 nan 8.230 nan 0.000 0.435 420 G N 0.127 108.906 108.800 -0.035 0.000 2.402 420 G HA2 -0.261 3.700 3.960 0.002 0.000 0.216 420 G HA3 -0.261 3.700 3.960 0.002 0.000 0.216 420 G C 1.830 176.645 174.900 -0.141 0.000 1.162 420 G CA 1.013 46.151 45.100 0.063 0.000 0.777 420 G HN 0.490 nan 8.290 nan 0.000 0.539 421 S N 0.004 115.394 115.700 -0.518 0.000 2.383 421 S HA -0.086 4.385 4.470 0.002 0.000 0.227 421 S C 2.219 176.495 174.600 -0.541 0.000 1.026 421 S CA 1.961 59.434 58.200 -1.213 0.000 0.981 421 S CB -0.633 61.665 63.200 -1.503 0.000 0.818 421 S HN 0.239 nan 8.310 nan 0.000 0.472 422 T N 2.024 116.329 114.554 -0.416 0.000 2.896 422 T HA 0.061 4.412 4.350 0.002 0.000 0.263 422 T C 1.749 176.223 174.700 -0.377 0.000 1.050 422 T CA 1.147 63.013 62.100 -0.389 0.000 1.140 422 T CB -0.261 68.389 68.868 -0.362 0.000 0.877 422 T HN 0.365 nan 8.240 nan 0.000 0.457 423 E N 0.248 120.188 120.200 -0.433 0.000 2.110 423 E HA -0.105 4.247 4.350 0.002 0.000 0.193 423 E C 1.754 178.041 176.600 -0.521 0.000 0.988 423 E CA 0.745 56.764 56.400 -0.634 0.000 0.804 423 E CB -0.299 28.706 29.700 -1.160 0.000 0.745 423 E HN 0.650 nan 8.360 nan 0.000 0.458 424 W N 1.579 122.631 121.300 -0.413 0.000 2.388 424 W HA -0.083 4.578 4.660 0.002 0.000 0.294 424 W C 2.393 178.928 176.519 0.027 0.000 1.212 424 W CA 2.086 59.453 57.345 0.037 0.000 1.271 424 W CB -0.189 29.486 29.460 0.359 0.000 1.126 424 W HN 0.061 nan 8.180 nan 0.000 0.535 425 A N 0.192 123.044 122.820 0.053 0.000 1.902 425 A HA -0.243 4.079 4.320 0.002 0.000 0.217 425 A C 1.803 179.239 177.584 -0.247 0.000 1.181 425 A CA 1.988 53.913 52.037 -0.185 0.000 0.623 425 A CB -0.807 17.851 19.000 -0.570 0.000 0.818 425 A HN 0.468 nan 8.150 nan 0.000 0.443 426 E N -0.868 119.175 120.200 -0.262 0.000 2.106 426 E HA -0.196 4.156 4.350 0.002 0.000 0.192 426 E C 2.042 178.546 176.600 -0.161 0.000 0.984 426 E CA 1.132 57.392 56.400 -0.234 0.000 0.806 426 E CB -0.098 29.434 29.700 -0.280 0.000 0.750 426 E HN 0.825 nan 8.360 nan 0.000 0.458 427 E N 0.928 121.033 120.200 -0.158 0.000 2.072 427 E HA -0.158 4.193 4.350 0.002 0.000 0.191 427 E C 0.861 177.360 176.600 -0.169 0.000 0.985 427 E CA 1.213 57.557 56.400 -0.092 0.000 0.801 427 E CB 0.122 29.816 29.700 -0.010 0.000 0.750 427 E HN 0.140 nan 8.360 nan 0.000 0.452 428 N N -0.538 117.962 118.700 -0.333 0.000 2.214 428 N HA 0.009 4.750 4.740 0.002 0.000 0.214 428 N C 1.033 176.436 175.510 -0.178 0.000 1.132 428 N CA -0.011 52.830 53.050 -0.349 0.000 0.856 428 N CB 1.182 39.200 38.487 -0.782 0.000 1.020 428 N HN -0.024 nan 8.380 nan 0.000 0.509 429 V N 1.011 120.846 119.914 -0.131 0.000 2.380 429 V HA -0.316 3.806 4.120 0.002 0.000 0.251 429 V C 1.799 177.889 176.094 -0.008 0.000 1.063 429 V CA 1.842 64.102 62.300 -0.066 0.000 1.055 429 V CB -0.146 31.632 31.823 -0.075 0.000 0.657 429 V HN 0.248 nan 8.190 nan 0.000 0.455 430 K N 0.692 121.090 120.400 -0.003 0.000 2.057 430 K HA -0.069 4.252 4.320 0.002 0.000 0.206 430 K C 2.086 178.715 176.600 0.050 0.000 1.050 430 K CA 2.145 58.445 56.287 0.023 0.000 0.935 430 K CB -0.838 31.676 32.500 0.023 0.000 0.715 430 K HN 0.809 nan 8.250 nan 0.000 0.439 431 I N -1.846 118.765 120.570 0.068 0.000 2.439 431 I HA -0.121 4.050 4.170 0.002 0.000 0.251 431 I C 2.117 178.365 176.117 0.217 0.000 1.139 431 I CA 0.941 62.327 61.300 0.144 0.000 1.438 431 I CB -0.441 37.683 38.000 0.207 0.000 1.085 431 I HN -0.112 nan 8.210 nan 0.000 0.427 432 L N 1.392 122.732 121.223 0.195 0.000 2.056 432 L HA -0.163 4.178 4.340 0.002 0.000 0.207 432 L C 3.028 180.027 176.870 0.216 0.000 1.078 432 L CA 1.705 56.718 54.840 0.289 0.000 0.749 432 L CB -0.717 41.495 42.059 0.254 0.000 0.901 432 L HN 0.473 nan 8.230 nan 0.000 0.433 433 Q N -0.590 119.288 119.800 0.130 0.000 2.297 433 Q HA -0.142 4.200 4.340 0.002 0.000 0.204 433 Q C 1.257 177.305 176.000 0.080 0.000 0.962 433 Q CA 0.925 56.789 55.803 0.103 0.000 0.879 433 Q CB -0.035 28.738 28.738 0.060 0.000 0.947 433 Q HN 0.440 nan 8.270 nan 0.000 0.462 434 E N 0.851 121.089 120.200 0.063 0.000 2.447 434 E HA 0.078 4.429 4.350 0.002 0.000 0.195 434 E C 1.091 177.686 176.600 -0.009 0.000 1.028 434 E CA 0.307 56.722 56.400 0.025 0.000 0.876 434 E CB 0.499 30.207 29.700 0.013 0.000 0.885 434 E HN 0.463 nan 8.360 nan 0.000 0.500 435 R N -0.401 120.088 120.500 -0.019 0.000 2.556 435 R HA 0.236 4.577 4.340 0.002 0.000 0.276 435 R C 0.289 176.517 176.300 -0.119 0.000 0.931 435 R CA -0.021 55.968 56.100 -0.185 0.000 1.061 435 R CB 0.927 30.904 30.300 -0.537 0.000 1.432 435 R HN -0.168 nan 8.270 nan 0.000 0.547 436 S N 1.503 117.274 115.700 0.118 0.000 2.523 436 S HA 0.191 4.662 4.470 0.002 0.000 0.275 436 S C 1.180 175.911 174.600 0.218 0.000 1.281 436 S CA -0.428 57.922 58.200 0.250 0.000 1.050 436 S CB 1.086 64.517 63.200 0.386 0.000 0.937 436 S HN 0.043 nan 8.310 nan 0.000 0.492 437 I N 1.573 122.264 120.570 0.202 0.000 2.339 437 I HA 0.204 4.375 4.170 0.002 0.000 0.245 437 I C 1.182 177.527 176.117 0.380 0.000 1.096 437 I CA 0.815 62.251 61.300 0.226 0.000 1.408 437 I CB -1.319 36.732 38.000 0.086 0.000 1.092 437 I HN 0.672 nan 8.210 nan 0.000 0.423 438 A N -1.077 121.937 122.820 0.323 0.000 2.601 438 A HA 0.560 4.881 4.320 0.002 0.000 0.291 438 A C -1.931 175.832 177.584 0.298 0.000 1.075 438 A CA -0.438 51.807 52.037 0.347 0.000 0.671 438 A CB 0.980 20.180 19.000 0.333 0.000 1.277 438 A HN 0.134 nan 8.150 nan 0.000 0.417 439 Y N 1.873 122.279 120.300 0.176 0.000 2.331 439 Y HA 0.673 5.224 4.550 0.002 0.000 0.334 439 Y C -1.134 174.808 175.900 0.071 0.000 0.960 439 Y CA -0.976 57.189 58.100 0.108 0.000 1.130 439 Y CB 1.105 39.650 38.460 0.142 0.000 1.164 439 Y HN 0.535 nan 8.280 nan 0.000 0.458 440 I N 5.735 126.068 120.570 -0.394 0.000 2.362 440 I HA 0.224 4.395 4.170 0.002 0.000 0.289 440 I C -0.311 175.571 176.117 -0.392 0.000 0.994 440 I CA -0.749 60.411 61.300 -0.233 0.000 1.158 440 I CB 1.108 39.022 38.000 -0.144 0.000 1.315 440 I HN 0.708 nan 8.210 nan 0.000 0.451 441 N N 2.966 121.650 118.700 -0.026 0.000 2.483 441 N HA 0.229 4.970 4.740 0.002 0.000 0.269 441 N C -0.060 175.502 175.510 0.087 0.000 1.209 441 N CA 0.249 53.405 53.050 0.177 0.000 0.969 441 N CB 1.035 39.800 38.487 0.463 0.000 1.173 441 N HN 0.513 nan 8.380 nan 0.000 0.475 442 S N 0.477 116.261 115.700 0.140 0.000 2.569 442 S HA 0.151 4.622 4.470 0.002 0.000 0.215 442 S C -0.818 173.865 174.600 0.139 0.000 1.096 442 S CA -0.773 57.488 58.200 0.101 0.000 1.183 442 S CB -0.739 62.490 63.200 0.048 0.000 1.324 442 S HN 0.684 nan 8.310 nan 0.000 0.421 443 D N 1.205 121.722 120.400 0.195 0.000 2.403 443 D HA 0.207 4.848 4.640 0.002 0.000 0.278 443 D C 0.413 176.788 176.300 0.126 0.000 1.230 443 D CA -0.269 53.847 54.000 0.193 0.000 1.062 443 D CB -0.538 40.458 40.800 0.328 0.000 1.119 443 D HN 0.380 nan 8.370 nan 0.000 0.557 444 S N -1.343 114.438 115.700 0.134 0.000 2.573 444 S HA 0.032 4.503 4.470 0.002 0.000 0.297 444 S C 1.039 175.674 174.600 0.060 0.000 1.280 444 S CA 0.093 58.348 58.200 0.091 0.000 1.061 444 S CB 0.145 63.414 63.200 0.116 0.000 0.812 444 S HN 0.600 nan 8.310 nan 0.000 0.500 445 S N 1.638 117.356 115.700 0.031 0.000 2.511 445 S HA 0.255 4.726 4.470 0.002 0.000 0.214 445 S C 0.227 174.834 174.600 0.012 0.000 0.997 445 S CA -0.234 57.981 58.200 0.025 0.000 0.908 445 S CB -0.360 62.855 63.200 0.025 0.000 0.803 445 S HN 0.817 nan 8.310 nan 0.000 0.504 446 I N 2.381 122.925 120.570 -0.043 0.000 2.867 446 I HA 0.281 4.453 4.170 0.002 0.000 0.282 446 I C 0.541 176.559 176.117 -0.164 0.000 1.437 446 I CA -0.540 60.720 61.300 -0.066 0.000 0.918 446 I CB 0.889 38.803 38.000 -0.142 0.000 1.612 446 I HN 0.284 nan 8.210 nan 0.000 0.592 447 E N 3.082 123.237 120.200 -0.075 0.000 2.478 447 E HA 0.447 4.798 4.350 0.002 0.000 0.194 447 E C 0.697 177.371 176.600 0.124 0.000 1.045 447 E CA 0.214 56.543 56.400 -0.119 0.000 0.868 447 E CB 0.506 30.238 29.700 0.053 0.000 0.885 447 E HN 0.525 nan 8.360 nan 0.000 0.505 448 G N 1.267 110.182 108.800 0.191 0.000 2.488 448 G HA2 0.193 4.154 3.960 0.002 0.000 0.301 448 G HA3 0.193 4.154 3.960 0.002 0.000 0.301 448 G C -1.216 173.781 174.900 0.162 0.000 1.339 448 G CA -0.393 44.811 45.100 0.173 0.000 0.803 448 G HN 0.117 nan 8.290 nan 0.000 0.482 449 N N -1.403 117.347 118.700 0.083 0.000 2.365 449 N HA 0.147 4.889 4.740 0.002 0.000 0.257 449 N C 0.194 175.860 175.510 0.260 0.000 1.287 449 N CA -0.464 52.667 53.050 0.135 0.000 0.882 449 N CB 0.221 38.660 38.487 -0.079 0.000 1.250 449 N HN 0.462 nan 8.380 nan 0.000 0.507 450 Y N 0.555 120.927 120.300 0.120 0.000 2.239 450 Y HA 0.377 4.928 4.550 0.002 0.000 0.293 450 Y C 0.557 176.464 175.900 0.012 0.000 1.126 450 Y CA 1.049 59.182 58.100 0.055 0.000 1.128 450 Y CB 0.245 38.701 38.460 -0.008 0.000 1.066 450 Y HN 0.116 nan 8.280 nan 0.000 0.516 451 T N -1.185 113.168 114.554 -0.335 0.000 2.665 451 T HA 0.363 4.715 4.350 0.002 0.000 0.303 451 T C -2.040 171.920 174.700 -1.234 0.000 1.334 451 T CA -0.623 60.995 62.100 -0.804 0.000 1.011 451 T CB 0.250 68.758 68.868 -0.601 0.000 1.573 451 T HN 0.063 nan 8.240 nan 0.000 0.492 452 L N 2.404 122.922 121.223 -1.174 0.000 2.417 452 L HA 0.659 5.000 4.340 0.002 0.000 0.268 452 L C 0.269 176.717 176.870 -0.703 0.000 1.158 452 L CA 0.083 54.255 54.840 -1.113 0.000 0.819 452 L CB 0.627 41.892 42.059 -1.324 0.000 1.112 452 L HN 0.635 nan 8.230 nan 0.000 0.458 453 R N 3.504 123.707 120.500 -0.494 0.000 2.480 453 R HA 0.730 5.071 4.340 0.002 0.000 0.306 453 R C -2.036 174.107 176.300 -0.261 0.000 0.958 453 R CA -0.641 55.314 56.100 -0.242 0.000 0.861 453 R CB 1.510 31.720 30.300 -0.151 0.000 1.171 453 R HN 0.519 nan 8.270 nan 0.000 0.445 454 V N 3.762 123.595 119.914 -0.135 0.000 2.656 454 V HA 0.408 4.529 4.120 0.002 0.000 0.307 454 V C -1.138 174.904 176.094 -0.086 0.000 1.051 454 V CA -0.848 61.373 62.300 -0.131 0.000 0.893 454 V CB 2.155 33.922 31.823 -0.094 0.000 0.999 454 V HN 0.808 nan 8.190 nan 0.000 0.426 455 D N 3.218 123.520 120.400 -0.164 0.000 2.629 455 D HA 0.749 5.391 4.640 0.002 0.000 0.250 455 D C -0.598 175.508 176.300 -0.323 0.000 1.126 455 D CA -0.059 53.802 54.000 -0.230 0.000 0.852 455 D CB 1.934 42.555 40.800 -0.298 0.000 1.335 455 D HN 0.924 nan 8.370 nan 0.000 0.518 456 C N -0.532 118.582 119.300 -0.311 0.000 3.292 456 C HA 0.713 5.175 4.460 0.002 0.000 0.338 456 C C 0.210 174.921 174.990 -0.465 0.000 1.323 456 C CA -0.917 57.865 59.018 -0.393 0.000 1.232 456 C CB 1.187 28.799 27.740 -0.213 0.000 1.517 456 C HN 0.568 nan 8.230 nan 0.000 0.470 457 T N 1.440 115.631 114.554 -0.604 0.000 2.932 457 T HA 0.330 4.681 4.350 0.002 0.000 0.312 457 T C -1.270 172.978 174.700 -0.753 0.000 1.071 457 T CA -0.003 61.736 62.100 -0.602 0.000 1.128 457 T CB 0.480 69.154 68.868 -0.324 0.000 0.984 457 T HN 0.691 nan 8.240 nan 0.000 0.549 458 P HA -0.031 nan 4.420 nan 0.000 0.218 458 P C 1.609 178.335 177.300 -0.955 0.000 1.146 458 P CA 0.927 63.029 63.100 -1.663 0.000 0.813 458 P CB -0.051 30.903 31.700 -1.243 0.000 0.778 459 L N -1.746 119.123 121.223 -0.590 0.000 2.129 459 L HA -0.177 4.165 4.340 0.002 0.000 0.212 459 L C 2.057 178.830 176.870 -0.162 0.000 1.087 459 L CA 1.335 55.983 54.840 -0.319 0.000 0.757 459 L CB -0.672 40.999 42.059 -0.646 0.000 0.896 459 L HN 0.041 nan 8.230 nan 0.000 0.434 460 L N -2.466 118.625 121.223 -0.220 0.000 2.585 460 L HA -0.028 4.313 4.340 0.002 0.000 0.226 460 L C 2.156 179.052 176.870 0.043 0.000 1.113 460 L CA -0.310 54.528 54.840 -0.003 0.000 0.876 460 L CB -0.166 41.883 42.059 -0.016 0.000 1.072 460 L HN 0.126 nan 8.230 nan 0.000 0.468 461 Y N 0.536 120.760 120.300 -0.125 0.000 2.114 461 Y HA -0.363 4.189 4.550 0.002 0.000 0.282 461 Y C 2.728 178.476 175.900 -0.254 0.000 1.165 461 Y CA 1.369 59.304 58.100 -0.276 0.000 1.148 461 Y CB -0.947 37.410 38.460 -0.172 0.000 0.972 461 Y HN 0.291 nan 8.280 nan 0.000 0.504 462 Q N -0.257 119.648 119.800 0.176 0.000 2.061 462 Q HA -0.228 4.113 4.340 0.002 0.000 0.204 462 Q C 2.290 178.397 176.000 0.179 0.000 0.984 462 Q CA 1.893 57.827 55.803 0.219 0.000 0.846 462 Q CB -0.423 28.432 28.738 0.196 0.000 0.902 462 Q HN 0.424 nan 8.270 nan 0.000 0.421 463 L N -0.084 121.230 121.223 0.151 0.000 2.046 463 L HA -0.131 4.210 4.340 0.002 0.000 0.208 463 L C 2.173 179.119 176.870 0.127 0.000 1.077 463 L CA 1.386 56.312 54.840 0.143 0.000 0.747 463 L CB -0.563 41.588 42.059 0.154 0.000 0.896 463 L HN 0.119 nan 8.230 nan 0.000 0.432 464 V N -0.819 119.139 119.914 0.073 0.000 2.287 464 V HA -0.361 3.760 4.120 0.002 0.000 0.248 464 V C 2.287 178.526 176.094 0.242 0.000 1.053 464 V CA 2.285 64.634 62.300 0.082 0.000 1.027 464 V CB -0.904 30.913 31.823 -0.010 0.000 0.646 464 V HN 0.493 nan 8.190 nan 0.000 0.447 465 Y N 0.337 120.807 120.300 0.285 0.000 2.181 465 Y HA -0.289 4.263 4.550 0.002 0.000 0.288 465 Y C 2.652 178.624 175.900 0.121 0.000 1.146 465 Y CA 1.789 60.063 58.100 0.290 0.000 1.164 465 Y CB -0.245 38.331 38.460 0.192 0.000 0.982 465 Y HN 0.184 nan 8.280 nan 0.000 0.515 466 K N 1.002 121.543 120.400 0.235 0.000 2.020 466 K HA -0.218 4.103 4.320 0.002 0.000 0.212 466 K C 1.834 178.507 176.600 0.121 0.000 1.050 466 K CA 1.762 58.122 56.287 0.122 0.000 0.929 466 K CB -0.412 32.160 32.500 0.120 0.000 0.714 466 K HN 0.303 nan 8.250 nan 0.000 0.443 467 L N 0.808 122.121 121.223 0.149 0.000 2.093 467 L HA -0.131 4.210 4.340 0.002 0.000 0.208 467 L C 2.653 179.607 176.870 0.141 0.000 1.085 467 L CA 1.689 56.605 54.840 0.127 0.000 0.755 467 L CB -0.848 41.278 42.059 0.111 0.000 0.904 467 L HN 0.495 nan 8.230 nan 0.000 0.435 468 T N -3.064 111.620 114.554 0.218 0.000 2.929 468 T HA -0.184 4.167 4.350 0.002 0.000 0.271 468 T C 1.709 176.565 174.700 0.261 0.000 1.085 468 T CA 0.880 63.137 62.100 0.261 0.000 1.125 468 T CB -0.234 68.900 68.868 0.443 0.000 0.874 468 T HN 0.271 nan 8.240 nan 0.000 0.494 469 K N 1.026 121.541 120.400 0.192 0.000 2.365 469 K HA 0.025 4.346 4.320 0.002 0.000 0.199 469 K C 1.746 178.404 176.600 0.098 0.000 1.045 469 K CA 1.029 57.380 56.287 0.106 0.000 0.962 469 K CB 0.055 32.518 32.500 -0.062 0.000 0.759 469 K HN 0.578 nan 8.250 nan 0.000 0.469 470 E N 0.161 120.421 120.200 0.100 0.000 2.501 470 E HA 0.160 4.511 4.350 0.002 0.000 0.201 470 E C -0.347 176.311 176.600 0.096 0.000 1.016 470 E CA -0.077 56.380 56.400 0.096 0.000 0.920 470 E CB 0.584 30.340 29.700 0.093 0.000 1.023 470 E HN 0.165 nan 8.360 nan 0.000 0.474 471 I N 2.304 122.928 120.570 0.091 0.000 2.378 471 I HA 0.267 4.438 4.170 0.002 0.000 0.291 471 I C -2.451 173.708 176.117 0.071 0.000 0.992 471 I CA -2.792 58.544 61.300 0.060 0.000 1.154 471 I CB 1.627 39.651 38.000 0.040 0.000 1.315 471 I HN -0.282 nan 8.210 nan 0.000 0.448 472 P HA -0.017 nan 4.420 nan 0.000 0.265 472 P C -0.292 177.040 177.300 0.054 0.000 1.193 472 P CA -0.005 63.133 63.100 0.064 0.000 0.765 472 P CB 0.619 32.349 31.700 0.049 0.000 0.823 473 S N 3.980 119.725 115.700 0.074 0.000 2.549 473 S HA 0.174 4.646 4.470 0.002 0.000 0.283 473 S C -1.313 173.309 174.600 0.037 0.000 1.320 473 S CA -1.038 57.192 58.200 0.050 0.000 1.058 473 S CB -0.200 63.029 63.200 0.049 0.000 0.882 473 S HN 0.347 nan 8.310 nan 0.000 0.498 474 P HA 0.245 nan 4.420 nan 0.000 0.261 474 P C -0.687 176.599 177.300 -0.024 0.000 1.268 474 P CA -0.109 62.959 63.100 -0.053 0.000 0.833 474 P CB 0.037 31.629 31.700 -0.180 0.000 1.231 475 D N 1.247 121.665 120.400 0.031 0.000 2.350 475 D HA 0.109 4.750 4.640 0.002 0.000 0.249 475 D C 0.212 176.636 176.300 0.206 0.000 1.119 475 D CA 0.163 54.218 54.000 0.090 0.000 0.886 475 D CB 0.299 41.117 40.800 0.030 0.000 1.195 475 D HN -0.052 nan 8.370 nan 0.000 0.437 476 D N 0.629 121.120 120.400 0.152 0.000 2.533 476 D HA 0.266 4.907 4.640 0.002 0.000 0.236 476 D C 1.587 177.991 176.300 0.174 0.000 1.137 476 D CA 0.912 54.989 54.000 0.128 0.000 0.867 476 D CB 0.699 41.550 40.800 0.085 0.000 1.170 476 D HN 0.633 nan 8.370 nan 0.000 0.474 477 G N 1.633 110.468 108.800 0.058 0.000 2.199 477 G HA2 -0.315 3.646 3.960 0.002 0.000 0.254 477 G HA3 -0.315 3.646 3.960 0.002 0.000 0.254 477 G C 0.524 175.249 174.900 -0.292 0.000 0.982 477 G CA -0.185 44.845 45.100 -0.117 0.000 0.632 477 G HN 0.446 nan 8.290 nan 0.000 0.529 478 F N 0.985 120.941 119.950 0.011 0.000 2.855 478 F HA 0.432 4.960 4.527 0.002 0.000 0.317 478 F C 1.513 177.325 175.800 0.019 0.000 1.169 478 F CA -0.056 57.954 58.000 0.017 0.000 1.299 478 F CB 0.802 39.814 39.000 0.021 0.000 0.962 478 F HN 0.063 nan 8.300 nan 0.000 0.506 479 E N 0.037 120.304 120.200 0.113 0.000 2.265 479 E HA -0.149 4.202 4.350 0.002 0.000 0.196 479 E C 1.829 178.475 176.600 0.077 0.000 0.996 479 E CA 1.367 57.818 56.400 0.084 0.000 0.832 479 E CB -0.129 29.597 29.700 0.044 0.000 0.756 479 E HN 0.264 nan 8.360 nan 0.000 0.491 480 S N -0.760 114.983 115.700 0.072 0.000 2.601 480 S HA 0.273 4.744 4.470 0.002 0.000 0.244 480 S C 0.222 174.878 174.600 0.093 0.000 1.001 480 S CA -0.654 57.587 58.200 0.067 0.000 0.984 480 S CB 0.204 63.428 63.200 0.040 0.000 0.842 480 S HN -0.088 nan 8.310 nan 0.000 0.474 481 K N 1.433 121.918 120.400 0.141 0.000 2.295 481 K HA 0.587 4.908 4.320 0.002 0.000 0.239 481 K C -0.222 176.479 176.600 0.167 0.000 0.991 481 K CA -0.694 55.700 56.287 0.179 0.000 0.845 481 K CB 1.736 34.416 32.500 0.299 0.000 1.197 481 K HN 0.297 nan 8.250 nan 0.000 0.441 482 S N 0.360 116.160 115.700 0.166 0.000 2.632 482 S HA 0.084 4.555 4.470 0.002 0.000 0.267 482 S C 1.047 175.735 174.600 0.146 0.000 1.276 482 S CA -0.662 57.632 58.200 0.156 0.000 0.998 482 S CB 0.740 64.047 63.200 0.178 0.000 0.953 482 S HN 0.639 nan 8.310 nan 0.000 0.547 483 L N 1.158 122.461 121.223 0.132 0.000 2.079 483 L HA -0.027 4.314 4.340 0.002 0.000 0.210 483 L C 2.082 179.070 176.870 0.197 0.000 1.081 483 L CA 1.850 56.751 54.840 0.102 0.000 0.752 483 L CB -1.426 40.682 42.059 0.083 0.000 0.896 483 L HN 0.898 nan 8.230 nan 0.000 0.433 484 Y N 0.625 121.033 120.300 0.179 0.000 2.165 484 Y HA -0.283 4.268 4.550 0.002 0.000 0.286 484 Y C 2.398 178.369 175.900 0.118 0.000 1.155 484 Y CA 2.300 60.549 58.100 0.249 0.000 1.164 484 Y CB -0.140 38.426 38.460 0.177 0.000 0.978 484 Y HN 0.391 nan 8.280 nan 0.000 0.513 485 E N -0.469 119.862 120.200 0.219 0.000 2.051 485 E HA -0.207 4.144 4.350 0.002 0.000 0.192 485 E C 2.358 178.919 176.600 -0.064 0.000 0.991 485 E CA 1.802 58.268 56.400 0.111 0.000 0.799 485 E CB -0.248 29.585 29.700 0.222 0.000 0.748 485 E HN 0.612 nan 8.360 nan 0.000 0.449 486 S N 0.237 115.793 115.700 -0.241 0.000 2.387 486 S HA -0.158 4.313 4.470 0.002 0.000 0.226 486 S C 1.737 176.102 174.600 -0.392 0.000 1.026 486 S CA 0.517 58.269 58.200 -0.747 0.000 0.972 486 S CB -0.538 61.882 63.200 -1.300 0.000 0.814 486 S HN 0.451 nan 8.310 nan 0.000 0.477 487 W N 2.498 123.537 121.300 -0.435 0.000 2.358 487 W HA 0.050 4.711 4.660 0.002 0.000 0.303 487 W C 1.906 178.203 176.519 -0.369 0.000 1.208 487 W CA 0.688 57.798 57.345 -0.393 0.000 1.274 487 W CB -0.983 28.285 29.460 -0.320 0.000 1.138 487 W HN 0.351 nan 8.180 nan 0.000 0.515 488 L N 1.457 122.400 121.223 -0.467 0.000 2.017 488 L HA -0.164 4.177 4.340 0.002 0.000 0.208 488 L C 2.407 179.100 176.870 -0.294 0.000 1.073 488 L CA 2.805 57.301 54.840 -0.573 0.000 0.745 488 L CB -1.403 40.264 42.059 -0.654 0.000 0.894 488 L HN 0.227 nan 8.230 nan 0.000 0.432 489 E N -0.642 119.453 120.200 -0.175 0.000 2.110 489 E HA -0.242 4.110 4.350 0.002 0.000 0.193 489 E C 1.921 178.491 176.600 -0.049 0.000 0.988 489 E CA 1.365 57.733 56.400 -0.053 0.000 0.804 489 E CB 0.032 29.790 29.700 0.096 0.000 0.745 489 E HN 0.562 nan 8.360 nan 0.000 0.458 490 K N -0.707 119.625 120.400 -0.113 0.000 2.323 490 K HA 0.000 4.321 4.320 0.002 0.000 0.197 490 K C 0.133 176.759 176.600 0.043 0.000 1.043 490 K CA 0.559 56.809 56.287 -0.062 0.000 0.997 490 K CB 0.501 32.747 32.500 -0.424 0.000 0.807 490 K HN -0.067 nan 8.250 nan 0.000 0.497 491 D N 0.900 121.270 120.400 -0.049 0.000 2.846 491 D HA 0.137 4.778 4.640 0.002 0.000 0.279 491 D C -2.802 173.379 176.300 -0.198 0.000 1.222 491 D CA -2.146 51.830 54.000 -0.040 0.000 0.769 491 D CB 0.885 41.732 40.800 0.079 0.000 1.299 491 D HN -0.117 nan 8.370 nan 0.000 0.537 492 P HA 0.081 nan 4.420 nan 0.000 0.271 492 P C 0.126 177.311 177.300 -0.192 0.000 1.218 492 P CA -0.252 62.705 63.100 -0.238 0.000 0.780 492 P CB 1.123 32.725 31.700 -0.164 0.000 0.901 493 S N 2.946 118.513 115.700 -0.221 0.000 2.549 493 S HA 0.181 4.652 4.470 0.002 0.000 0.279 493 S C -1.425 173.113 174.600 -0.103 0.000 1.321 493 S CA -1.157 56.948 58.200 -0.158 0.000 1.054 493 S CB -0.184 62.912 63.200 -0.173 0.000 0.899 493 S HN 0.241 nan 8.310 nan 0.000 0.497 494 P HA -0.066 nan 4.420 nan 0.000 0.220 494 P C 0.961 178.242 177.300 -0.032 0.000 1.148 494 P CA 0.833 63.909 63.100 -0.040 0.000 0.803 494 P CB 0.045 31.733 31.700 -0.020 0.000 0.782 495 E N -1.613 118.566 120.200 -0.034 0.000 2.478 495 E HA 0.026 4.377 4.350 0.002 0.000 0.194 495 E C 0.287 176.866 176.600 -0.035 0.000 1.045 495 E CA 0.455 56.843 56.400 -0.021 0.000 0.868 495 E CB -0.470 29.229 29.700 -0.003 0.000 0.885 495 E HN 0.168 nan 8.360 nan 0.000 0.505 496 N N 1.112 119.773 118.700 -0.064 0.000 2.752 496 N HA -0.004 4.737 4.740 0.002 0.000 0.268 496 N C 0.194 175.637 175.510 -0.110 0.000 1.190 496 N CA -0.188 52.816 53.050 -0.076 0.000 0.897 496 N CB 1.359 39.799 38.487 -0.078 0.000 1.515 496 N HN 0.033 nan 8.380 nan 0.000 0.567 497 K N 1.453 121.798 120.400 -0.092 0.000 2.442 497 K HA -0.027 4.294 4.320 0.002 0.000 0.198 497 K C 0.555 177.075 176.600 -0.133 0.000 1.042 497 K CA 1.048 57.273 56.287 -0.105 0.000 0.958 497 K CB 0.160 32.618 32.500 -0.071 0.000 0.766 497 K HN 0.201 nan 8.250 nan 0.000 0.474 498 N N 0.490 119.112 118.700 -0.130 0.000 2.268 498 N HA 0.179 4.921 4.740 0.002 0.000 0.204 498 N C -0.982 174.402 175.510 -0.211 0.000 1.124 498 N CA -0.144 52.823 53.050 -0.137 0.000 0.838 498 N CB 0.292 38.728 38.487 -0.086 0.000 0.994 498 N HN 0.148 nan 8.380 nan 0.000 0.489 499 L N 0.231 121.276 121.223 -0.298 0.000 2.381 499 L HA 0.604 4.946 4.340 0.002 0.000 0.268 499 L C -2.396 174.119 176.870 -0.591 0.000 0.997 499 L CA -2.338 52.198 54.840 -0.507 0.000 0.818 499 L CB 2.322 44.092 42.059 -0.482 0.000 1.310 499 L HN -0.122 nan 8.230 nan 0.000 0.416 500 P HA 0.095 nan 4.420 nan 0.000 0.272 500 P C -0.903 176.000 177.300 -0.662 0.000 1.223 500 P CA -0.495 61.947 63.100 -1.095 0.000 0.784 500 P CB 0.520 30.774 31.700 -2.410 0.000 0.923 501 R N 2.865 123.087 120.500 -0.463 0.000 2.449 501 R HA 0.220 4.561 4.340 0.002 0.000 0.296 501 R C -0.628 175.650 176.300 -0.037 0.000 1.047 501 R CA 0.187 56.177 56.100 -0.184 0.000 1.018 501 R CB -0.415 29.837 30.300 -0.080 0.000 0.962 501 R HN 0.464 nan 8.270 nan 0.000 0.428 502 I N 4.689 125.198 120.570 -0.101 0.000 2.436 502 I HA 0.231 4.403 4.170 0.002 0.000 0.289 502 I C -0.247 175.817 176.117 -0.087 0.000 1.010 502 I CA -0.990 60.269 61.300 -0.070 0.000 1.098 502 I CB 1.907 39.747 38.000 -0.267 0.000 1.266 502 I HN 0.641 nan 8.210 nan 0.000 0.434 503 N N 5.797 124.467 118.700 -0.051 0.000 2.493 503 N HA 0.232 4.973 4.740 0.002 0.000 0.275 503 N C -0.496 174.946 175.510 -0.114 0.000 1.186 503 N CA -0.649 52.361 53.050 -0.067 0.000 0.978 503 N CB 1.280 39.721 38.487 -0.076 0.000 1.184 503 N HN 0.560 nan 8.380 nan 0.000 0.487 504 K N 0.217 120.540 120.400 -0.127 0.000 2.219 504 K HA 0.225 4.547 4.320 0.002 0.000 0.258 504 K C -0.286 176.083 176.600 -0.386 0.000 1.008 504 K CA -0.346 55.764 56.287 -0.295 0.000 0.928 504 K CB 0.487 32.860 32.500 -0.212 0.000 0.983 504 K HN 0.361 nan 8.250 nan 0.000 0.484 505 L N 2.420 123.264 121.223 -0.631 0.000 2.360 505 L HA 0.191 4.532 4.340 0.002 0.000 0.276 505 L C 0.951 177.691 176.870 -0.217 0.000 1.121 505 L CA 0.011 54.525 54.840 -0.544 0.000 0.845 505 L CB 1.094 42.612 42.059 -0.900 0.000 1.143 505 L HN 1.039 nan 8.230 nan 0.000 0.452 506 G N 1.337 110.129 108.800 -0.015 0.000 3.374 506 G HA2 0.470 4.431 3.960 0.002 0.000 0.200 506 G HA3 0.470 4.431 3.960 0.002 0.000 0.200 506 G C -0.337 174.686 174.900 0.206 0.000 1.801 506 G CA 0.146 45.282 45.100 0.059 0.000 0.842 506 G HN 0.543 nan 8.290 nan 0.000 0.688 507 S N -3.545 112.231 115.700 0.127 0.000 2.973 507 S HA 0.533 5.004 4.470 0.002 0.000 0.317 507 S C 0.599 175.203 174.600 0.006 0.000 1.196 507 S CA 0.777 58.952 58.200 -0.043 0.000 0.894 507 S CB 0.781 63.885 63.200 -0.160 0.000 1.292 507 S HN 2.223 nan 8.310 nan 0.000 0.614 508 G N 0.354 109.066 108.800 -0.146 0.000 2.157 508 G HA2 -0.144 3.817 3.960 0.002 0.000 0.239 508 G HA3 -0.144 3.817 3.960 0.002 0.000 0.239 508 G C 0.099 174.981 174.900 -0.031 0.000 0.982 508 G CA 0.942 46.037 45.100 -0.009 0.000 0.650 508 G HN 1.760 nan 8.290 nan 0.000 0.527 509 S N -1.933 113.601 115.700 -0.276 0.000 2.688 509 S HA 0.623 5.094 4.470 0.002 0.000 0.275 509 S C 0.117 174.446 174.600 -0.452 0.000 1.175 509 S CA 0.218 58.306 58.200 -0.188 0.000 0.818 509 S CB 1.316 64.604 63.200 0.147 0.000 1.157 509 S HN -0.125 nan 8.310 nan 0.000 0.482 510 D N 0.555 120.883 120.400 -0.119 0.000 2.371 510 D HA 0.058 4.699 4.640 0.002 0.000 0.221 510 D C 1.412 177.580 176.300 -0.220 0.000 0.986 510 D CA 0.789 54.701 54.000 -0.147 0.000 0.899 510 D CB -0.390 40.460 40.800 0.083 0.000 0.902 510 D HN 0.621 nan 8.370 nan 0.000 0.530 511 F N 0.867 120.778 119.950 -0.067 0.000 2.546 511 F HA 0.071 4.599 4.527 0.002 0.000 0.298 511 F C 1.912 177.681 175.800 -0.051 0.000 1.120 511 F CA 0.241 58.056 58.000 -0.309 0.000 1.456 511 F CB -0.592 38.367 39.000 -0.067 0.000 1.088 511 F HN -0.157 nan 8.300 nan 0.000 0.572 512 E N 1.392 121.231 120.200 -0.601 0.000 2.058 512 E HA -0.248 4.103 4.350 0.002 0.000 0.194 512 E C 2.362 178.932 176.600 -0.049 0.000 0.997 512 E CA 1.406 57.635 56.400 -0.285 0.000 0.801 512 E CB -0.304 29.185 29.700 -0.352 0.000 0.746 512 E HN 0.499 nan 8.360 nan 0.000 0.450 513 A N -0.065 122.641 122.820 -0.190 0.000 1.930 513 A HA -0.158 4.163 4.320 0.002 0.000 0.217 513 A C 1.881 179.291 177.584 -0.290 0.000 1.175 513 A CA 1.282 53.151 52.037 -0.280 0.000 0.627 513 A CB -0.814 17.877 19.000 -0.515 0.000 0.815 513 A HN 0.394 nan 8.150 nan 0.000 0.443 514 Y N -1.974 118.305 120.300 -0.035 0.000 2.145 514 Y HA -0.151 4.400 4.550 0.002 0.000 0.286 514 Y C 2.182 178.207 175.900 0.208 0.000 1.145 514 Y CA 1.817 59.959 58.100 0.070 0.000 1.148 514 Y CB -0.550 37.882 38.460 -0.046 0.000 0.981 514 Y HN 0.412 nan 8.280 nan 0.000 0.507 515 F N 0.389 120.464 119.950 0.207 0.000 2.164 515 F HA -0.052 4.477 4.527 0.002 0.000 0.287 515 F C 2.081 178.010 175.800 0.215 0.000 1.086 515 F CA 1.252 59.383 58.000 0.218 0.000 1.249 515 F CB -0.461 38.659 39.000 0.200 0.000 1.059 515 F HN -0.131 nan 8.300 nan 0.000 0.490 516 Q N -0.209 119.678 119.800 0.145 0.000 2.245 516 Q HA 0.027 4.368 4.340 0.002 0.000 0.201 516 Q C 2.231 178.294 176.000 0.105 0.000 0.955 516 Q CA 0.924 56.752 55.803 0.043 0.000 0.870 516 Q CB -0.100 28.678 28.738 0.068 0.000 0.945 516 Q HN 0.305 nan 8.270 nan 0.000 0.461 517 R N -0.631 119.923 120.500 0.089 0.000 2.087 517 R HA 0.163 4.504 4.340 0.002 0.000 0.216 517 R C 1.382 177.700 176.300 0.030 0.000 1.114 517 R CA 0.558 56.700 56.100 0.070 0.000 1.002 517 R CB 0.246 30.563 30.300 0.028 0.000 0.903 517 R HN 0.229 nan 8.270 nan 0.000 0.445 518 L N -0.714 120.519 121.223 0.018 0.000 2.554 518 L HA 0.294 4.635 4.340 0.002 0.000 0.225 518 L C 0.809 177.723 176.870 0.074 0.000 1.104 518 L CA 0.521 55.382 54.840 0.035 0.000 0.866 518 L CB 0.576 42.654 42.059 0.031 0.000 1.047 518 L HN 0.532 nan 8.230 nan 0.000 0.468 519 G N 1.847 110.695 108.800 0.080 0.000 2.198 519 G HA2 -0.273 3.689 3.960 0.002 0.000 0.257 519 G HA3 -0.273 3.689 3.960 0.002 0.000 0.257 519 G C -0.017 175.008 174.900 0.208 0.000 1.042 519 G CA -0.125 45.030 45.100 0.092 0.000 0.791 519 G HN 0.294 nan 8.290 nan 0.000 0.502 520 I N 1.175 121.932 120.570 0.312 0.000 2.315 520 I HA 0.534 4.705 4.170 0.002 0.000 0.291 520 I C 1.160 177.582 176.117 0.509 0.000 1.006 520 I CA -0.499 61.037 61.300 0.394 0.000 1.265 520 I CB 1.541 39.808 38.000 0.446 0.000 1.387 520 I HN 0.364 nan 8.210 nan 0.000 0.475 521 A N 5.223 128.289 122.820 0.410 0.000 2.584 521 A HA 0.295 4.616 4.320 0.002 0.000 0.239 521 A C 0.165 177.913 177.584 0.273 0.000 1.043 521 A CA 0.555 52.776 52.037 0.307 0.000 0.756 521 A CB -0.067 18.943 19.000 0.017 0.000 0.963 521 A HN 0.699 nan 8.150 nan 0.000 0.511 522 S N 0.229 115.962 115.700 0.056 0.000 2.599 522 S HA 0.896 5.367 4.470 0.002 0.000 0.287 522 S C 0.075 174.536 174.600 -0.231 0.000 1.105 522 S CA -0.032 58.175 58.200 0.012 0.000 0.899 522 S CB 2.266 65.481 63.200 0.024 0.000 1.100 522 S HN 1.578 nan 8.310 nan 0.000 0.482 523 G N 0.881 109.603 108.800 -0.129 0.000 2.704 523 G HA2 0.724 4.685 3.960 0.002 0.000 0.293 523 G HA3 0.724 4.685 3.960 0.002 0.000 0.293 523 G C -1.731 173.073 174.900 -0.160 0.000 1.421 523 G CA -0.929 44.044 45.100 -0.212 0.000 0.870 523 G HN 0.771 nan 8.290 nan 0.000 0.492 524 R N -0.547 119.830 120.500 -0.206 0.000 2.740 524 R HA 0.876 5.217 4.340 0.002 0.000 0.273 524 R C -1.246 174.977 176.300 -0.128 0.000 0.998 524 R CA -0.939 55.088 56.100 -0.121 0.000 0.900 524 R CB 2.070 32.305 30.300 -0.108 0.000 1.223 524 R HN 1.309 nan 8.270 nan 0.000 0.466 525 A N 2.106 124.869 122.820 -0.095 0.000 2.520 525 A HA 0.800 5.121 4.320 0.002 0.000 0.298 525 A C -1.146 176.380 177.584 -0.096 0.000 1.051 525 A CA -0.929 51.023 52.037 -0.143 0.000 0.690 525 A CB 1.719 20.616 19.000 -0.172 0.000 1.281 525 A HN 1.024 nan 8.150 nan 0.000 0.402 526 R N 0.317 120.742 120.500 -0.126 0.000 2.712 526 R HA 0.574 4.915 4.340 0.002 0.000 0.272 526 R C -1.923 174.326 176.300 -0.085 0.000 1.032 526 R CA -0.816 55.255 56.100 -0.049 0.000 0.874 526 R CB 0.509 30.802 30.300 -0.012 0.000 1.256 526 R HN 0.484 nan 8.270 nan 0.000 0.468 527 Y N 0.926 121.153 120.300 -0.122 0.000 2.304 527 Y HA 0.426 4.977 4.550 0.002 0.000 0.327 527 Y C 0.592 176.455 175.900 -0.062 0.000 1.209 527 Y CA 1.296 59.328 58.100 -0.114 0.000 1.299 527 Y CB 1.671 40.067 38.460 -0.107 0.000 1.249 527 Y HN 0.874 nan 8.280 nan 0.000 0.519 528 T N 0.325 114.842 114.554 -0.061 0.000 2.681 528 T HA 0.480 4.831 4.350 0.002 0.000 0.296 528 T C -0.875 173.875 174.700 0.083 0.000 1.157 528 T CA -1.387 60.726 62.100 0.021 0.000 1.025 528 T CB 1.465 70.317 68.868 -0.026 0.000 1.441 528 T HN 0.545 nan 8.240 nan 0.000 0.504 529 K N 0.570 121.014 120.400 0.074 0.000 2.117 529 K HA 0.377 4.698 4.320 0.002 0.000 0.240 529 K C -0.256 176.340 176.600 -0.005 0.000 1.031 529 K CA -0.807 55.511 56.287 0.052 0.000 0.909 529 K CB 0.226 32.724 32.500 -0.004 0.000 1.097 529 K HN 0.529 nan 8.250 nan 0.000 0.492 530 N N 1.140 119.687 118.700 -0.255 0.000 2.415 530 N HA -0.022 4.719 4.740 0.002 0.000 0.246 530 N C 0.398 175.700 175.510 -0.347 0.000 1.078 530 N CA -0.219 52.447 53.050 -0.641 0.000 0.942 530 N CB 1.330 38.987 38.487 -1.384 0.000 1.140 530 N HN 0.750 nan 8.380 nan 0.000 0.501 531 K N 4.325 124.601 120.400 -0.208 0.000 2.147 531 K HA -0.079 4.242 4.320 0.002 0.000 0.205 531 K C 0.966 177.463 176.600 -0.171 0.000 1.049 531 K CA 1.602 57.785 56.287 -0.174 0.000 0.936 531 K CB 0.107 32.542 32.500 -0.109 0.000 0.722 531 K HN 0.442 nan 8.250 nan 0.000 0.446 532 K N -0.306 119.993 120.400 -0.168 0.000 2.217 532 K HA -0.043 4.279 4.320 0.002 0.000 0.202 532 K C 1.757 178.276 176.600 -0.134 0.000 1.051 532 K CA 1.664 57.875 56.287 -0.127 0.000 0.952 532 K CB 0.068 32.510 32.500 -0.097 0.000 0.736 532 K HN 0.579 nan 8.250 nan 0.000 0.453 533 T N -2.171 112.273 114.554 -0.183 0.000 2.969 533 T HA 0.066 4.417 4.350 0.002 0.000 0.250 533 T C 0.148 174.769 174.700 -0.132 0.000 1.021 533 T CA -0.327 61.689 62.100 -0.140 0.000 1.003 533 T CB 0.260 69.045 68.868 -0.139 0.000 1.040 533 T HN -0.159 nan 8.240 nan 0.000 0.492 534 D N 1.865 122.134 120.400 -0.219 0.000 2.392 534 D HA 0.366 5.008 4.640 0.002 0.000 0.228 534 D C 0.317 176.326 176.300 -0.484 0.000 1.074 534 D CA -0.501 53.300 54.000 -0.331 0.000 0.838 534 D CB 1.888 42.427 40.800 -0.436 0.000 1.067 534 D HN 0.098 nan 8.370 nan 0.000 0.511 535 K N 1.412 121.605 120.400 -0.345 0.000 2.358 535 K HA 0.049 4.371 4.320 0.002 0.000 0.197 535 K C 0.509 176.975 176.600 -0.222 0.000 1.025 535 K CA -0.221 55.922 56.287 -0.240 0.000 1.104 535 K CB 0.256 32.697 32.500 -0.099 0.000 0.855 535 K HN 0.504 nan 8.250 nan 0.000 0.531 536 Y N 0.342 120.602 120.300 -0.066 0.000 2.426 536 Y HA 0.230 4.781 4.550 0.002 0.000 0.344 536 Y C 0.558 176.339 175.900 -0.198 0.000 1.256 536 Y CA -0.838 57.181 58.100 -0.135 0.000 1.451 536 Y CB 0.166 38.586 38.460 -0.066 0.000 1.342 536 Y HN -0.288 nan 8.280 nan 0.000 0.600 537 S N 1.652 117.211 115.700 -0.236 0.000 2.601 537 S HA 0.332 4.804 4.470 0.002 0.000 0.271 537 S C 0.415 174.945 174.600 -0.116 0.000 1.305 537 S CA 0.003 58.043 58.200 -0.267 0.000 1.022 537 S CB 0.876 63.853 63.200 -0.372 0.000 0.940 537 S HN 0.933 nan 8.310 nan 0.000 0.525 538 S N 0.411 116.038 115.700 -0.122 0.000 4.050 538 S HA -0.248 4.223 4.470 0.002 0.000 0.602 538 S C -0.380 174.360 174.600 0.234 0.000 2.030 538 S CA 2.048 60.161 58.200 -0.145 0.000 4.208 538 S CB -1.407 61.442 63.200 -0.585 0.000 0.290 538 S HN 0.960 nan 8.310 nan 0.000 0.615 539 Y N -1.331 119.120 120.300 0.251 0.000 2.553 539 Y HA 0.689 5.241 4.550 0.002 0.000 0.347 539 Y C -2.768 173.385 175.900 0.422 0.000 1.019 539 Y CA -2.579 55.757 58.100 0.393 0.000 1.032 539 Y CB 0.529 39.206 38.460 0.361 0.000 1.284 539 Y HN 0.161 nan 8.280 nan 0.000 0.466 540 P HA -0.209 nan 4.420 nan 0.000 0.216 540 P C 1.252 178.775 177.300 0.372 0.000 1.153 540 P CA 2.472 65.802 63.100 0.382 0.000 0.858 540 P CB 0.140 31.951 31.700 0.185 0.000 0.789 541 V N -5.455 114.714 119.914 0.424 0.000 3.514 541 V HA 0.145 4.266 4.120 0.002 0.000 0.301 541 V C 0.517 176.746 176.094 0.225 0.000 1.346 541 V CA -0.761 61.742 62.300 0.338 0.000 1.156 541 V CB -2.143 29.912 31.823 0.387 0.000 1.029 541 V HN -0.034 nan 8.190 nan 0.000 0.428 542 Y N 2.524 122.692 120.300 -0.219 0.000 2.881 542 Y HA 0.047 4.599 4.550 0.002 0.000 0.335 542 Y C 1.099 176.937 175.900 -0.104 0.000 1.263 542 Y CA 0.885 58.680 58.100 -0.509 0.000 1.572 542 Y CB -0.932 36.981 38.460 -0.911 0.000 1.237 542 Y HN 0.647 nan 8.280 nan 0.000 0.568 543 H N 2.062 120.804 119.070 -0.547 0.000 2.992 543 H HA -0.200 4.357 4.556 0.002 0.000 0.266 543 H C 0.255 175.380 175.328 -0.337 0.000 1.200 543 H CA 0.549 56.268 56.048 -0.549 0.000 1.135 543 H CB -1.201 27.945 29.762 -1.027 0.000 1.282 543 H HN 0.785 nan 8.280 nan 0.000 0.351 544 T N -2.780 111.730 114.554 -0.074 0.000 2.919 544 T HA 0.447 4.798 4.350 0.002 0.000 0.282 544 T C 1.190 175.819 174.700 -0.118 0.000 1.020 544 T CA -0.439 61.606 62.100 -0.092 0.000 0.994 544 T CB 1.834 70.707 68.868 0.009 0.000 1.180 544 T HN 0.179 nan 8.240 nan 0.000 0.566 545 I N -0.242 120.164 120.570 -0.274 0.000 2.700 545 I HA -0.073 4.098 4.170 0.002 0.000 0.261 545 I C 0.660 176.558 176.117 -0.364 0.000 1.219 545 I CA 1.093 62.173 61.300 -0.367 0.000 1.463 545 I CB -0.080 37.599 38.000 -0.534 0.000 1.092 545 I HN 0.648 nan 8.210 nan 0.000 0.452 546 Y N 0.717 120.964 120.300 -0.088 0.000 2.461 546 Y HA 0.166 4.717 4.550 0.002 0.000 0.277 546 Y C 0.704 176.500 175.900 -0.173 0.000 1.182 546 Y CA -0.312 57.584 58.100 -0.341 0.000 1.276 546 Y CB -0.314 37.858 38.460 -0.480 0.000 1.087 546 Y HN 0.095 nan 8.280 nan 0.000 0.519 547 E N 1.933 122.210 120.200 0.128 0.000 1.775 547 E HA 0.065 4.417 4.350 0.002 0.000 0.266 547 E C 0.177 176.890 176.600 0.189 0.000 1.191 547 E CA -0.014 56.503 56.400 0.195 0.000 1.048 547 E CB -0.040 29.804 29.700 0.240 0.000 1.081 547 E HN 0.256 nan 8.360 nan 0.000 0.434 548 T N -1.957 112.692 114.554 0.158 0.000 2.950 548 T HA 0.219 4.570 4.350 0.002 0.000 0.288 548 T C 0.768 175.617 174.700 0.250 0.000 1.035 548 T CA -0.883 61.296 62.100 0.131 0.000 1.028 548 T CB 1.017 69.949 68.868 0.108 0.000 1.109 548 T HN 0.286 nan 8.240 nan 0.000 0.514 549 F N 1.414 121.459 119.950 0.157 0.000 2.120 549 F HA -0.112 4.417 4.527 0.002 0.000 0.300 549 F C 2.093 178.014 175.800 0.201 0.000 1.095 549 F CA 1.808 59.922 58.000 0.189 0.000 1.249 549 F CB -0.204 38.901 39.000 0.175 0.000 0.995 549 F HN 0.686 nan 8.300 nan 0.000 0.480 550 E N 0.553 120.922 120.200 0.282 0.000 2.110 550 E HA -0.202 4.149 4.350 0.002 0.000 0.193 550 E C 1.979 178.621 176.600 0.071 0.000 0.988 550 E CA 1.302 57.790 56.400 0.147 0.000 0.804 550 E CB -0.604 29.272 29.700 0.293 0.000 0.745 550 E HN 0.510 nan 8.360 nan 0.000 0.458 551 L N 0.070 121.489 121.223 0.327 0.000 2.012 551 L HA -0.211 4.130 4.340 0.002 0.000 0.210 551 L C 2.059 179.089 176.870 0.267 0.000 1.073 551 L CA 1.419 56.559 54.840 0.500 0.000 0.748 551 L CB -0.280 42.114 42.059 0.559 0.000 0.891 551 L HN 0.031 nan 8.230 nan 0.000 0.431 552 V N -0.245 119.684 119.914 0.026 0.000 2.307 552 V HA -0.270 3.851 4.120 0.002 0.000 0.245 552 V C 2.591 178.553 176.094 -0.220 0.000 1.045 552 V CA 2.145 64.372 62.300 -0.121 0.000 1.024 552 V CB -0.741 30.945 31.823 -0.228 0.000 0.651 552 V HN 0.595 nan 8.190 nan 0.000 0.449 553 E N 0.257 120.248 120.200 -0.348 0.000 2.107 553 E HA -0.254 4.097 4.350 0.002 0.000 0.191 553 E C 2.272 178.730 176.600 -0.236 0.000 0.982 553 E CA 1.437 57.669 56.400 -0.280 0.000 0.809 553 E CB 0.051 29.526 29.700 -0.375 0.000 0.756 553 E HN 0.564 nan 8.360 nan 0.000 0.459 554 K N -1.004 119.182 120.400 -0.357 0.000 2.076 554 K HA -0.065 4.256 4.320 0.002 0.000 0.204 554 K C 1.468 177.781 176.600 -0.479 0.000 1.051 554 K CA 1.178 57.121 56.287 -0.573 0.000 0.949 554 K CB 0.075 31.900 32.500 -1.125 0.000 0.726 554 K HN 0.053 nan 8.250 nan 0.000 0.443 555 F N -2.121 117.836 119.950 0.012 0.000 2.680 555 F HA 0.191 4.720 4.527 0.002 0.000 0.290 555 F C 1.253 176.814 175.800 -0.399 0.000 1.114 555 F CA -0.156 57.779 58.000 -0.109 0.000 1.333 555 F CB 0.028 39.039 39.000 0.018 0.000 1.091 555 F HN -0.062 nan 8.300 nan 0.000 0.606 556 Y N -0.610 119.601 120.300 -0.148 0.000 2.422 556 Y HA 0.181 4.733 4.550 0.002 0.000 0.291 556 Y C 0.272 176.003 175.900 -0.282 0.000 1.144 556 Y CA 0.506 58.449 58.100 -0.261 0.000 1.208 556 Y CB 0.545 38.837 38.460 -0.280 0.000 1.195 556 Y HN -0.187 nan 8.280 nan 0.000 0.535 557 D N -1.565 118.711 120.400 -0.207 0.000 3.250 557 D HA 0.196 4.837 4.640 0.002 0.000 0.252 557 D C -2.522 173.566 176.300 -0.353 0.000 1.342 557 D CA -1.366 52.438 54.000 -0.325 0.000 0.807 557 D CB 0.617 41.136 40.800 -0.470 0.000 1.449 557 D HN -0.132 nan 8.370 nan 0.000 0.610 558 P HA -0.123 nan 4.420 nan 0.000 0.216 558 P C 1.415 178.778 177.300 0.106 0.000 1.150 558 P CA 1.491 64.566 63.100 -0.041 0.000 0.837 558 P CB 0.070 31.746 31.700 -0.041 0.000 0.786 559 T N -5.757 108.822 114.554 0.042 0.000 3.088 559 T HA -0.003 4.348 4.350 0.002 0.000 0.259 559 T C 0.844 175.675 174.700 0.218 0.000 1.122 559 T CA 0.000 62.160 62.100 0.100 0.000 1.095 559 T CB -1.272 67.608 68.868 0.020 0.000 0.930 559 T HN 0.014 nan 8.240 nan 0.000 0.508 560 F N 0.779 120.679 119.950 -0.082 0.000 2.973 560 F HA -0.258 4.270 4.527 0.002 0.000 0.299 560 F C 1.507 177.247 175.800 -0.100 0.000 0.737 560 F CA 0.910 58.862 58.000 -0.080 0.000 1.151 560 F CB -1.672 37.302 39.000 -0.044 0.000 1.440 560 F HN 0.230 nan 8.300 nan 0.000 0.367 561 K N 0.210 120.587 120.400 -0.039 0.000 2.155 561 K HA -0.115 4.207 4.320 0.002 0.000 0.203 561 K C 1.768 178.250 176.600 -0.196 0.000 1.052 561 K CA 1.461 57.698 56.287 -0.085 0.000 0.948 561 K CB -0.108 32.345 32.500 -0.078 0.000 0.728 561 K HN 0.387 nan 8.250 nan 0.000 0.448 562 K N 0.973 121.171 120.400 -0.337 0.000 2.062 562 K HA -0.135 4.186 4.320 0.002 0.000 0.205 562 K C 2.192 178.545 176.600 -0.412 0.000 1.051 562 K CA 1.228 57.144 56.287 -0.619 0.000 0.941 562 K CB 0.001 31.948 32.500 -0.922 0.000 0.719 562 K HN 0.156 nan 8.250 nan 0.000 0.440 563 Q N 0.689 120.330 119.800 -0.265 0.000 2.124 563 Q HA -0.168 4.173 4.340 0.002 0.000 0.202 563 Q C 2.140 178.117 176.000 -0.039 0.000 0.977 563 Q CA 1.089 56.825 55.803 -0.111 0.000 0.850 563 Q CB -0.160 28.547 28.738 -0.052 0.000 0.901 563 Q HN 0.168 nan 8.270 nan 0.000 0.429 564 L N 0.785 121.988 121.223 -0.032 0.000 2.046 564 L HA -0.200 4.141 4.340 0.002 0.000 0.208 564 L C 2.311 179.150 176.870 -0.051 0.000 1.077 564 L CA 2.349 57.176 54.840 -0.022 0.000 0.747 564 L CB -0.814 41.231 42.059 -0.023 0.000 0.896 564 L HN 0.240 nan 8.230 nan 0.000 0.432 565 S N -1.820 113.832 115.700 -0.080 0.000 2.399 565 S HA -0.142 4.330 4.470 0.002 0.000 0.231 565 S C 1.914 176.497 174.600 -0.027 0.000 1.022 565 S CA 1.287 59.456 58.200 -0.053 0.000 0.983 565 S CB -1.167 62.006 63.200 -0.044 0.000 0.803 565 S HN 0.267 nan 8.310 nan 0.000 0.480 566 V N 2.476 122.380 119.914 -0.018 0.000 2.358 566 V HA -0.069 4.053 4.120 0.002 0.000 0.246 566 V C 3.171 179.257 176.094 -0.014 0.000 1.047 566 V CA 1.573 63.871 62.300 -0.004 0.000 1.035 566 V CB -1.511 30.325 31.823 0.022 0.000 0.658 566 V HN 0.671 nan 8.190 nan 0.000 0.452 567 A N -0.671 122.142 122.820 -0.010 0.000 1.902 567 A HA -0.290 4.031 4.320 0.002 0.000 0.217 567 A C 2.181 179.740 177.584 -0.041 0.000 1.181 567 A CA 1.970 54.001 52.037 -0.011 0.000 0.623 567 A CB -0.463 18.537 19.000 -0.001 0.000 0.818 567 A HN 0.631 nan 8.150 nan 0.000 0.443 568 Q N -1.205 118.560 119.800 -0.059 0.000 2.084 568 Q HA -0.134 4.207 4.340 0.002 0.000 0.202 568 Q C 2.101 178.067 176.000 -0.057 0.000 0.978 568 Q CA 1.422 57.173 55.803 -0.086 0.000 0.844 568 Q CB -0.313 28.370 28.738 -0.092 0.000 0.898 568 Q HN 0.589 nan 8.270 nan 0.000 0.426 569 L N 0.890 122.090 121.223 -0.038 0.000 2.027 569 L HA -0.134 4.207 4.340 0.002 0.000 0.206 569 L C 2.104 178.967 176.870 -0.013 0.000 1.074 569 L CA 1.683 56.507 54.840 -0.026 0.000 0.745 569 L CB -0.237 41.790 42.059 -0.053 0.000 0.898 569 L HN -0.011 nan 8.230 nan 0.000 0.433 570 R N -0.583 119.908 120.500 -0.015 0.000 2.081 570 R HA -0.090 4.251 4.340 0.002 0.000 0.235 570 R C 2.202 178.523 176.300 0.034 0.000 1.131 570 R CA 1.247 57.347 56.100 0.000 0.000 0.960 570 R CB -0.983 29.317 30.300 0.001 0.000 0.856 570 R HN 0.575 nan 8.270 nan 0.000 0.436 571 G N 0.511 109.327 108.800 0.028 0.000 2.402 571 G HA2 -0.216 3.745 3.960 0.002 0.000 0.216 571 G HA3 -0.216 3.745 3.960 0.002 0.000 0.216 571 G C 1.533 176.485 174.900 0.087 0.000 1.162 571 G CA 0.662 45.800 45.100 0.064 0.000 0.777 571 G HN 0.400 nan 8.290 nan 0.000 0.539 572 A N 0.505 123.341 122.820 0.026 0.000 1.933 572 A HA 0.129 4.451 4.320 0.002 0.000 0.218 572 A C 2.412 180.092 177.584 0.160 0.000 1.175 572 A CA 1.096 53.183 52.037 0.083 0.000 0.628 572 A CB -0.356 18.663 19.000 0.032 0.000 0.814 572 A HN 0.352 nan 8.150 nan 0.000 0.444 573 L N -0.652 120.635 121.223 0.106 0.000 2.012 573 L HA -0.191 4.151 4.340 0.002 0.000 0.210 573 L C 2.568 179.506 176.870 0.113 0.000 1.073 573 L CA 1.330 56.230 54.840 0.100 0.000 0.748 573 L CB -0.600 41.493 42.059 0.057 0.000 0.891 573 L HN 0.250 nan 8.230 nan 0.000 0.431 574 V N -0.952 119.037 119.914 0.125 0.000 2.287 574 V HA -0.359 3.762 4.120 0.002 0.000 0.248 574 V C 2.216 178.418 176.094 0.180 0.000 1.053 574 V CA 2.095 64.457 62.300 0.104 0.000 1.027 574 V CB -0.729 31.143 31.823 0.082 0.000 0.646 574 V HN 0.431 nan 8.190 nan 0.000 0.447 575 Y N 1.222 121.687 120.300 0.274 0.000 2.128 575 Y HA -0.233 4.318 4.550 0.002 0.000 0.284 575 Y C 2.635 178.645 175.900 0.185 0.000 1.154 575 Y CA 2.094 60.375 58.100 0.301 0.000 1.149 575 Y CB -0.164 38.395 38.460 0.165 0.000 0.976 575 Y HN 0.243 nan 8.280 nan 0.000 0.505 576 E N 0.313 120.541 120.200 0.048 0.000 2.106 576 E HA -0.162 4.189 4.350 0.002 0.000 0.192 576 E C 2.331 178.876 176.600 -0.091 0.000 0.984 576 E CA 1.345 57.724 56.400 -0.035 0.000 0.806 576 E CB -0.488 29.277 29.700 0.109 0.000 0.750 576 E HN 0.553 nan 8.360 nan 0.000 0.458 577 L N 0.105 121.302 121.223 -0.043 0.000 2.093 577 L HA -0.102 4.239 4.340 0.002 0.000 0.208 577 L C 2.493 179.302 176.870 -0.101 0.000 1.085 577 L CA 0.595 55.394 54.840 -0.069 0.000 0.755 577 L CB -0.220 41.837 42.059 -0.004 0.000 0.904 577 L HN -0.011 nan 8.230 nan 0.000 0.435 578 V N -1.099 118.752 119.914 -0.105 0.000 3.052 578 V HA -0.135 3.986 4.120 0.002 0.000 0.254 578 V C 1.480 177.501 176.094 -0.121 0.000 1.100 578 V CA 1.619 63.861 62.300 -0.097 0.000 1.112 578 V CB 0.307 32.083 31.823 -0.077 0.000 0.738 578 V HN 0.377 nan 8.190 nan 0.000 0.469 579 D N -1.121 119.146 120.400 -0.222 0.000 2.423 579 D HA 0.134 4.776 4.640 0.002 0.000 0.208 579 D C 1.097 177.325 176.300 -0.121 0.000 1.068 579 D CA 0.392 54.275 54.000 -0.195 0.000 0.860 579 D CB 0.430 40.993 40.800 -0.396 0.000 0.992 579 D HN 0.343 nan 8.370 nan 0.000 0.504 580 S N 0.384 116.009 115.700 -0.126 0.000 2.549 580 S HA 0.048 4.519 4.470 0.002 0.000 0.279 580 S C 1.246 175.821 174.600 -0.043 0.000 1.321 580 S CA -0.333 57.834 58.200 -0.054 0.000 1.054 580 S CB 1.089 64.263 63.200 -0.043 0.000 0.899 580 S HN 0.143 nan 8.310 nan 0.000 0.497 581 K N 4.055 124.446 120.400 -0.015 0.000 2.032 581 K HA -0.024 4.297 4.320 0.002 0.000 0.209 581 K C 0.339 176.923 176.600 -0.027 0.000 1.048 581 K CA 1.121 57.398 56.287 -0.017 0.000 0.927 581 K CB -0.015 32.484 32.500 -0.002 0.000 0.712 581 K HN 0.603 nan 8.250 nan 0.000 0.441 582 I N 2.735 123.294 120.570 -0.019 0.000 2.331 582 I HA 0.145 4.317 4.170 0.002 0.000 0.292 582 I C 0.215 176.301 176.117 -0.053 0.000 0.998 582 I CA -0.697 60.591 61.300 -0.021 0.000 1.267 582 I CB 1.100 39.103 38.000 0.005 0.000 1.386 582 I HN 0.143 nan 8.210 nan 0.000 0.476 583 I N 8.897 129.403 120.570 -0.107 0.000 2.752 583 I HA -0.030 4.141 4.170 0.002 0.000 0.289 583 I C -1.520 174.462 176.117 -0.224 0.000 1.197 583 I CA -0.759 60.385 61.300 -0.259 0.000 1.432 583 I CB 0.275 38.017 38.000 -0.430 0.000 1.359 583 I HN 0.342 nan 8.210 nan 0.000 0.571 584 P HA 0.202 nan 4.420 nan 0.000 0.214 584 P C -0.892 176.510 177.300 0.170 0.000 1.826 584 P CA -0.024 63.083 63.100 0.011 0.000 0.977 584 P CB -0.277 31.447 31.700 0.041 0.000 1.930 585 F N 0.645 120.693 119.950 0.163 0.000 2.470 585 F HA 0.453 4.981 4.527 0.002 0.000 0.329 585 F C 0.963 176.920 175.800 0.261 0.000 1.072 585 F CA -1.625 56.483 58.000 0.181 0.000 0.989 585 F CB 1.037 40.149 39.000 0.187 0.000 1.193 585 F HN 0.031 nan 8.300 nan 0.000 0.481 586 N N 2.453 121.407 118.700 0.423 0.000 2.442 586 N HA 0.324 5.065 4.740 0.002 0.000 0.274 586 N C 0.316 176.037 175.510 0.351 0.000 1.002 586 N CA -0.147 53.099 53.050 0.327 0.000 0.910 586 N CB 1.179 39.736 38.487 0.117 0.000 1.244 586 N HN 0.593 nan 8.380 nan 0.000 0.492 587 I N 2.192 123.128 120.570 0.609 0.000 2.876 587 I HA -0.115 4.056 4.170 0.002 0.000 0.264 587 I C 2.020 178.384 176.117 0.412 0.000 1.204 587 I CA 0.393 61.988 61.300 0.492 0.000 1.485 587 I CB 0.092 38.313 38.000 0.369 0.000 1.103 587 I HN 0.507 nan 8.210 nan 0.000 0.446 588 Q N 0.895 120.848 119.800 0.255 0.000 2.170 588 Q HA -0.211 4.130 4.340 0.002 0.000 0.203 588 Q C 1.440 177.560 176.000 0.201 0.000 0.976 588 Q CA 1.320 57.241 55.803 0.197 0.000 0.858 588 Q CB -0.116 28.663 28.738 0.067 0.000 0.907 588 Q HN 0.488 nan 8.270 nan 0.000 0.433 589 D N -0.238 120.262 120.400 0.167 0.000 2.178 589 D HA -0.150 4.491 4.640 0.002 0.000 0.201 589 D C 1.545 177.922 176.300 0.129 0.000 0.980 589 D CA 0.919 55.007 54.000 0.146 0.000 0.842 589 D CB -0.159 40.707 40.800 0.110 0.000 0.948 589 D HN 0.218 nan 8.370 nan 0.000 0.472 590 Y N 1.528 121.888 120.300 0.100 0.000 2.200 590 Y HA -0.100 4.451 4.550 0.002 0.000 0.290 590 Y C 2.331 178.286 175.900 0.092 0.000 1.137 590 Y CA 0.784 58.938 58.100 0.089 0.000 1.163 590 Y CB -0.655 37.938 38.460 0.221 0.000 0.988 590 Y HN -0.067 nan 8.280 nan 0.000 0.518 591 A N -0.114 123.009 122.820 0.504 0.000 1.908 591 A HA -0.272 4.049 4.320 0.002 0.000 0.218 591 A C 2.192 179.889 177.584 0.190 0.000 1.181 591 A CA 2.046 54.334 52.037 0.417 0.000 0.627 591 A CB -0.814 18.470 19.000 0.473 0.000 0.818 591 A HN 0.539 nan 8.150 nan 0.000 0.445 592 E N -0.009 120.284 120.200 0.154 0.000 2.106 592 E HA -0.011 4.340 4.350 0.002 0.000 0.192 592 E C 1.924 178.500 176.600 -0.040 0.000 0.984 592 E CA 1.316 57.761 56.400 0.075 0.000 0.806 592 E CB -0.347 29.407 29.700 0.090 0.000 0.750 592 E HN 0.475 nan 8.360 nan 0.000 0.458 593 A N 0.904 123.667 122.820 -0.095 0.000 1.902 593 A HA -0.109 4.212 4.320 0.002 0.000 0.217 593 A C 2.233 179.348 177.584 -0.782 0.000 1.181 593 A CA 1.306 53.082 52.037 -0.435 0.000 0.623 593 A CB -0.702 18.103 19.000 -0.325 0.000 0.818 593 A HN 0.359 nan 8.150 nan 0.000 0.443 594 L N -0.830 120.189 121.223 -0.341 0.000 2.131 594 L HA -0.202 4.139 4.340 0.002 0.000 0.210 594 L C 2.526 179.359 176.870 -0.062 0.000 1.092 594 L CA 1.603 56.315 54.840 -0.213 0.000 0.759 594 L CB -0.449 41.522 42.059 -0.148 0.000 0.903 594 L HN 0.374 nan 8.230 nan 0.000 0.435 595 K N 0.070 120.453 120.400 -0.028 0.000 2.057 595 K HA -0.203 4.118 4.320 0.002 0.000 0.207 595 K C 1.856 178.497 176.600 0.068 0.000 1.049 595 K CA 1.769 58.100 56.287 0.073 0.000 0.931 595 K CB -0.230 32.323 32.500 0.088 0.000 0.714 595 K HN 0.246 nan 8.250 nan 0.000 0.440 596 N N -0.103 118.562 118.700 -0.058 0.000 2.120 596 N HA -0.185 4.556 4.740 0.002 0.000 0.188 596 N C 1.555 177.144 175.510 0.132 0.000 1.024 596 N CA 1.259 54.305 53.050 -0.007 0.000 0.852 596 N CB -0.000 38.430 38.487 -0.094 0.000 1.003 596 N HN 0.117 nan 8.380 nan 0.000 0.424 597 Y N 0.478 120.836 120.300 0.096 0.000 2.242 597 Y HA 0.145 4.696 4.550 0.002 0.000 0.291 597 Y C 2.431 178.524 175.900 0.322 0.000 1.137 597 Y CA 0.489 58.653 58.100 0.107 0.000 1.181 597 Y CB -1.187 37.143 38.460 -0.216 0.000 0.989 597 Y HN 0.161 nan 8.280 nan 0.000 0.527 598 A N 0.273 123.364 122.820 0.452 0.000 1.902 598 A HA -0.079 4.242 4.320 0.002 0.000 0.217 598 A C 2.541 180.225 177.584 0.166 0.000 1.181 598 A CA 1.886 54.015 52.037 0.154 0.000 0.623 598 A CB -1.162 17.713 19.000 -0.208 0.000 0.818 598 A HN 0.366 nan 8.150 nan 0.000 0.443 599 A N -0.747 122.258 122.820 0.310 0.000 1.908 599 A HA -0.133 4.188 4.320 0.002 0.000 0.218 599 A C 2.497 180.252 177.584 0.285 0.000 1.181 599 A CA 2.273 54.524 52.037 0.357 0.000 0.627 599 A CB -0.980 18.177 19.000 0.261 0.000 0.818 599 A HN 0.583 nan 8.150 nan 0.000 0.445 600 S N -0.836 115.018 115.700 0.257 0.000 2.356 600 S HA -0.144 4.328 4.470 0.002 0.000 0.223 600 S C 1.894 176.618 174.600 0.207 0.000 1.032 600 S CA 1.516 59.850 58.200 0.224 0.000 1.005 600 S CB -0.398 62.951 63.200 0.247 0.000 0.867 600 S HN 0.456 nan 8.310 nan 0.000 0.449 601 I N 0.563 121.273 120.570 0.235 0.000 2.353 601 I HA -0.006 4.165 4.170 0.002 0.000 0.248 601 I C 1.914 178.009 176.117 -0.036 0.000 1.119 601 I CA 1.218 62.634 61.300 0.193 0.000 1.417 601 I CB -0.691 37.488 38.000 0.298 0.000 1.078 601 I HN 0.496 nan 8.210 nan 0.000 0.421 602 Y N 1.470 121.585 120.300 -0.308 0.000 2.181 602 Y HA -0.293 4.258 4.550 0.002 0.000 0.288 602 Y C 2.303 178.087 175.900 -0.194 0.000 1.146 602 Y CA 2.051 59.822 58.100 -0.548 0.000 1.164 602 Y CB -0.584 37.760 38.460 -0.193 0.000 0.982 602 Y HN 0.253 nan 8.280 nan 0.000 0.515 603 N N 0.361 119.030 118.700 -0.051 0.000 2.166 603 N HA -0.182 4.559 4.740 0.002 0.000 0.186 603 N C 1.795 177.253 175.510 -0.087 0.000 1.019 603 N CA 1.374 54.373 53.050 -0.086 0.000 0.856 603 N CB -0.733 37.783 38.487 0.048 0.000 0.993 603 N HN 0.415 nan 8.380 nan 0.000 0.426 604 L N 0.561 121.782 121.223 -0.003 0.000 2.191 604 L HA -0.027 4.314 4.340 0.002 0.000 0.212 604 L C 1.477 178.384 176.870 0.061 0.000 1.103 604 L CA 1.347 56.220 54.840 0.055 0.000 0.769 604 L CB -0.274 41.868 42.059 0.138 0.000 0.908 604 L HN 0.014 nan 8.230 nan 0.000 0.438 605 S N -1.544 114.161 115.700 0.008 0.000 2.575 605 S HA 0.025 4.496 4.470 0.002 0.000 0.215 605 S C 1.665 176.269 174.600 0.006 0.000 0.966 605 S CA -0.048 58.247 58.200 0.158 0.000 0.911 605 S CB -0.010 63.354 63.200 0.274 0.000 0.780 605 S HN 0.404 nan 8.310 nan 0.000 0.514 606 K N 2.130 122.424 120.400 -0.176 0.000 2.097 606 K HA -0.156 4.165 4.320 0.002 0.000 0.206 606 K C 1.938 178.460 176.600 -0.131 0.000 1.049 606 K CA 1.404 57.575 56.287 -0.193 0.000 0.933 606 K CB -0.144 32.230 32.500 -0.210 0.000 0.717 606 K HN 0.436 nan 8.250 nan 0.000 0.442 607 K N -0.087 120.202 120.400 -0.184 0.000 2.442 607 K HA -0.114 4.207 4.320 0.002 0.000 0.198 607 K C 0.651 177.078 176.600 -0.288 0.000 1.042 607 K CA 1.512 57.646 56.287 -0.255 0.000 0.958 607 K CB -0.178 32.120 32.500 -0.338 0.000 0.766 607 K HN 0.321 nan 8.250 nan 0.000 0.474 608 H N -0.182 118.914 119.070 0.043 0.000 2.505 608 H HA 0.160 4.717 4.556 0.002 0.000 0.289 608 H C 0.362 175.664 175.328 -0.043 0.000 1.052 608 H CA -0.381 55.707 56.048 0.067 0.000 1.156 608 H CB 0.456 30.378 29.762 0.267 0.000 1.507 608 H HN 0.271 nan 8.280 nan 0.000 0.548 609 D N 0.905 121.318 120.400 0.022 0.000 2.133 609 D HA -0.237 4.404 4.640 0.002 0.000 0.192 609 D C 2.219 178.496 176.300 -0.038 0.000 1.001 609 D CA 1.367 55.359 54.000 -0.013 0.000 0.844 609 D CB 0.220 41.007 40.800 -0.022 0.000 0.944 609 D HN 0.255 nan 8.370 nan 0.000 0.447 610 Q N -0.037 119.746 119.800 -0.028 0.000 2.124 610 Q HA -0.180 4.161 4.340 0.002 0.000 0.202 610 Q C 1.904 177.853 176.000 -0.086 0.000 0.977 610 Q CA 1.544 57.324 55.803 -0.039 0.000 0.850 610 Q CB -0.157 28.572 28.738 -0.015 0.000 0.901 610 Q HN 0.238 nan 8.270 nan 0.000 0.429 611 Q N -0.414 119.314 119.800 -0.121 0.000 2.119 611 Q HA -0.010 4.331 4.340 0.002 0.000 0.201 611 Q C 2.008 177.664 176.000 -0.574 0.000 0.972 611 Q CA 1.178 56.797 55.803 -0.306 0.000 0.847 611 Q CB -0.201 28.308 28.738 -0.382 0.000 0.903 611 Q HN 0.400 nan 8.270 nan 0.000 0.433 612 L N -0.438 120.475 121.223 -0.516 0.000 2.042 612 L HA -0.225 4.117 4.340 0.002 0.000 0.210 612 L C 2.160 178.921 176.870 -0.182 0.000 1.076 612 L CA 1.537 56.155 54.840 -0.370 0.000 0.749 612 L CB -0.914 41.083 42.059 -0.104 0.000 0.893 612 L HN 0.250 nan 8.230 nan 0.000 0.432 613 T N -0.904 113.576 114.554 -0.123 0.000 2.737 613 T HA -0.161 4.191 4.350 0.002 0.000 0.265 613 T C 1.477 176.115 174.700 -0.103 0.000 1.038 613 T CA 1.519 63.573 62.100 -0.076 0.000 1.144 613 T CB -0.223 68.614 68.868 -0.051 0.000 0.866 613 T HN 0.298 nan 8.240 nan 0.000 0.434 614 D N 0.412 120.728 120.400 -0.139 0.000 2.178 614 D HA -0.061 4.580 4.640 0.002 0.000 0.201 614 D C 1.620 177.727 176.300 -0.321 0.000 0.980 614 D CA 1.003 54.878 54.000 -0.208 0.000 0.842 614 D CB -0.190 40.474 40.800 -0.226 0.000 0.948 614 D HN 0.519 nan 8.370 nan 0.000 0.472 615 H N -0.964 117.976 119.070 -0.218 0.000 2.549 615 H HA 0.282 4.839 4.556 0.002 0.000 0.279 615 H C 0.969 176.238 175.328 -0.097 0.000 1.018 615 H CA 0.516 56.472 56.048 -0.153 0.000 1.175 615 H CB 0.742 30.365 29.762 -0.232 0.000 1.485 615 H HN 0.087 nan 8.280 nan 0.000 0.543 616 G N 1.762 110.546 108.800 -0.026 0.000 2.295 616 G HA2 -0.266 3.696 3.960 0.002 0.000 0.287 616 G HA3 -0.266 3.696 3.960 0.002 0.000 0.287 616 G C 0.042 174.940 174.900 -0.003 0.000 1.055 616 G CA 0.375 45.467 45.100 -0.014 0.000 0.922 616 G HN 0.199 nan 8.290 nan 0.000 0.503 617 V N 0.168 120.068 119.914 -0.023 0.000 2.407 617 V HA 0.768 4.889 4.120 0.002 0.000 0.278 617 V C 0.565 176.655 176.094 -0.007 0.000 1.037 617 V CA 0.234 62.518 62.300 -0.027 0.000 0.900 617 V CB 1.711 33.515 31.823 -0.031 0.000 0.983 617 V HN 0.671 nan 8.190 nan 0.000 0.459 618 S N 3.087 118.765 115.700 -0.036 0.000 2.536 618 S HA 0.623 5.094 4.470 0.002 0.000 0.287 618 S C -0.164 174.411 174.600 -0.042 0.000 1.101 618 S CA -0.511 57.725 58.200 0.061 0.000 0.950 618 S CB 1.169 64.412 63.200 0.071 0.000 1.056 618 S HN 0.458 nan 8.310 nan 0.000 0.481 619 F N 1.703 121.769 119.950 0.193 0.000 2.732 619 F HA 0.189 4.718 4.527 0.002 0.000 0.303 619 F C 1.565 177.474 175.800 0.182 0.000 1.110 619 F CA -0.191 57.911 58.000 0.171 0.000 1.355 619 F CB 0.180 39.364 39.000 0.307 0.000 1.081 619 F HN 0.524 nan 8.300 nan 0.000 0.565 620 D N 0.082 120.647 120.400 0.276 0.000 2.133 620 D HA -0.199 4.442 4.640 0.002 0.000 0.195 620 D C 2.429 178.833 176.300 0.173 0.000 0.997 620 D CA 1.948 56.084 54.000 0.226 0.000 0.840 620 D CB -0.434 40.442 40.800 0.127 0.000 0.947 620 D HN 0.280 nan 8.370 nan 0.000 0.452 621 S N 0.076 115.832 115.700 0.094 0.000 2.402 621 S HA -0.122 4.349 4.470 0.002 0.000 0.229 621 S C 1.984 176.609 174.600 0.042 0.000 1.021 621 S CA 0.462 58.699 58.200 0.061 0.000 0.974 621 S CB -0.489 62.728 63.200 0.028 0.000 0.800 621 S HN 0.195 nan 8.310 nan 0.000 0.484 622 L N 0.579 121.796 121.223 -0.010 0.000 2.027 622 L HA 0.196 4.538 4.340 0.002 0.000 0.206 622 L C 2.064 178.859 176.870 -0.125 0.000 1.074 622 L CA 1.631 56.391 54.840 -0.133 0.000 0.745 622 L CB -0.999 40.895 42.059 -0.274 0.000 0.898 622 L HN 0.249 nan 8.230 nan 0.000 0.433 623 F N -0.827 119.151 119.950 0.046 0.000 2.171 623 F HA -0.165 4.363 4.527 0.002 0.000 0.300 623 F C 2.948 178.774 175.800 0.043 0.000 1.090 623 F CA 1.554 59.572 58.000 0.030 0.000 1.293 623 F CB -1.086 37.903 39.000 -0.018 0.000 1.013 623 F HN 0.196 nan 8.300 nan 0.000 0.486 624 S N -0.091 115.730 115.700 0.202 0.000 2.368 624 S HA -0.169 4.303 4.470 0.002 0.000 0.225 624 S C 2.336 177.008 174.600 0.121 0.000 1.030 624 S CA 1.149 59.432 58.200 0.139 0.000 0.999 624 S CB -0.536 62.727 63.200 0.106 0.000 0.844 624 S HN 0.286 nan 8.310 nan 0.000 0.459 625 A N 0.802 123.682 122.820 0.100 0.000 1.902 625 A HA 0.004 4.326 4.320 0.002 0.000 0.217 625 A C 2.343 180.018 177.584 0.151 0.000 1.181 625 A CA 1.757 53.856 52.037 0.104 0.000 0.623 625 A CB -1.055 17.987 19.000 0.070 0.000 0.818 625 A HN 0.459 nan 8.150 nan 0.000 0.443 626 V N 0.394 120.388 119.914 0.134 0.000 2.407 626 V HA -0.277 3.844 4.120 0.002 0.000 0.248 626 V C 2.551 178.776 176.094 0.218 0.000 1.055 626 V CA 2.397 64.799 62.300 0.170 0.000 1.049 626 V CB -0.647 31.252 31.823 0.126 0.000 0.662 626 V HN 0.727 nan 8.190 nan 0.000 0.455 627 K N 0.270 120.782 120.400 0.187 0.000 2.057 627 K HA -0.215 4.106 4.320 0.002 0.000 0.207 627 K C 1.983 178.673 176.600 0.151 0.000 1.049 627 K CA 1.866 58.249 56.287 0.161 0.000 0.931 627 K CB -0.177 32.403 32.500 0.132 0.000 0.714 627 K HN 0.426 nan 8.250 nan 0.000 0.440 628 N N 0.353 119.140 118.700 0.144 0.000 2.166 628 N HA -0.158 4.583 4.740 0.002 0.000 0.186 628 N C 1.516 177.100 175.510 0.123 0.000 1.019 628 N CA 1.020 54.137 53.050 0.112 0.000 0.856 628 N CB -0.397 38.146 38.487 0.094 0.000 0.993 628 N HN 0.212 nan 8.380 nan 0.000 0.426 629 F N 1.625 121.605 119.950 0.050 0.000 2.146 629 F HA -0.114 4.414 4.527 0.002 0.000 0.298 629 F C 2.276 178.120 175.800 0.073 0.000 1.096 629 F CA 1.037 59.066 58.000 0.048 0.000 1.275 629 F CB -0.088 38.950 39.000 0.063 0.000 1.008 629 F HN -0.075 nan 8.300 nan 0.000 0.480 630 S N -0.151 115.732 115.700 0.304 0.000 2.368 630 S HA -0.247 4.224 4.470 0.002 0.000 0.225 630 S C 1.928 176.586 174.600 0.097 0.000 1.030 630 S CA 1.386 59.718 58.200 0.220 0.000 0.999 630 S CB -0.488 62.837 63.200 0.210 0.000 0.844 630 S HN 0.573 nan 8.310 nan 0.000 0.459 631 E N 1.355 121.599 120.200 0.074 0.000 2.058 631 E HA -0.174 4.177 4.350 0.002 0.000 0.194 631 E C 2.120 178.724 176.600 0.007 0.000 0.997 631 E CA 1.124 57.550 56.400 0.044 0.000 0.801 631 E CB -0.261 29.465 29.700 0.043 0.000 0.746 631 E HN 0.482 nan 8.360 nan 0.000 0.450 632 A N 0.983 123.766 122.820 -0.060 0.000 1.930 632 A HA -0.029 4.292 4.320 0.002 0.000 0.217 632 A C 2.348 179.872 177.584 -0.100 0.000 1.175 632 A CA 1.635 53.608 52.037 -0.107 0.000 0.627 632 A CB -0.617 18.252 19.000 -0.218 0.000 0.815 632 A HN 0.419 nan 8.150 nan 0.000 0.443 633 A N -0.764 121.950 122.820 -0.177 0.000 1.930 633 A HA -0.052 4.269 4.320 0.002 0.000 0.217 633 A C 2.466 180.178 177.584 0.213 0.000 1.175 633 A CA 2.028 54.053 52.037 -0.020 0.000 0.627 633 A CB -0.857 18.130 19.000 -0.021 0.000 0.815 633 A HN 0.581 nan 8.150 nan 0.000 0.443 634 S N -0.082 115.704 115.700 0.142 0.000 2.356 634 S HA -0.190 4.281 4.470 0.002 0.000 0.223 634 S C 1.681 176.364 174.600 0.137 0.000 1.032 634 S CA 1.736 60.027 58.200 0.151 0.000 1.005 634 S CB -0.519 62.740 63.200 0.099 0.000 0.867 634 S HN 0.537 nan 8.310 nan 0.000 0.449 635 D N 0.361 120.817 120.400 0.093 0.000 2.123 635 D HA -0.081 4.560 4.640 0.002 0.000 0.196 635 D C 1.551 177.887 176.300 0.060 0.000 0.992 635 D CA 1.019 55.057 54.000 0.063 0.000 0.833 635 D CB -0.544 40.282 40.800 0.043 0.000 0.954 635 D HN 0.521 nan 8.370 nan 0.000 0.455 636 F N 0.896 120.820 119.950 -0.043 0.000 2.102 636 F HA -0.184 4.344 4.527 0.002 0.000 0.298 636 F C 2.291 178.012 175.800 -0.132 0.000 1.105 636 F CA 1.696 59.633 58.000 -0.105 0.000 1.239 636 F CB -0.379 38.524 39.000 -0.162 0.000 0.991 636 F HN 0.023 nan 8.300 nan 0.000 0.474 637 H N -0.128 118.969 119.070 0.046 0.000 2.423 637 H HA -0.062 4.495 4.556 0.002 0.000 0.297 637 H C 2.119 177.391 175.328 -0.094 0.000 1.075 637 H CA 1.774 57.803 56.048 -0.032 0.000 1.342 637 H CB -0.085 29.742 29.762 0.109 0.000 1.395 637 H HN 0.227 nan 8.280 nan 0.000 0.530 638 K N 0.245 120.663 120.400 0.031 0.000 2.057 638 K HA -0.104 4.217 4.320 0.002 0.000 0.207 638 K C 2.130 178.678 176.600 -0.086 0.000 1.049 638 K CA 1.177 57.459 56.287 -0.008 0.000 0.931 638 K CB 0.031 32.535 32.500 0.007 0.000 0.714 638 K HN 0.257 nan 8.250 nan 0.000 0.440 639 R N 0.372 120.770 120.500 -0.169 0.000 2.115 639 R HA -0.047 4.294 4.340 0.002 0.000 0.226 639 R C 2.280 178.416 176.300 -0.273 0.000 1.100 639 R CA 0.575 56.553 56.100 -0.204 0.000 0.980 639 R CB -0.281 29.883 30.300 -0.227 0.000 0.875 639 R HN 0.097 nan 8.270 nan 0.000 0.445 640 L N 1.883 122.845 121.223 -0.434 0.000 2.083 640 L HA -0.118 4.224 4.340 0.002 0.000 0.209 640 L C 2.080 178.845 176.870 -0.175 0.000 1.083 640 L CA 1.513 56.108 54.840 -0.409 0.000 0.752 640 L CB -0.320 41.404 42.059 -0.558 0.000 0.899 640 L HN 0.196 nan 8.230 nan 0.000 0.433 641 I N -3.497 117.011 120.570 -0.103 0.000 2.830 641 I HA -0.134 4.037 4.170 0.002 0.000 0.263 641 I C 1.531 177.621 176.117 -0.045 0.000 1.230 641 I CA 0.874 62.150 61.300 -0.040 0.000 1.480 641 I CB -0.507 37.491 38.000 -0.003 0.000 1.095 641 I HN 0.248 nan 8.210 nan 0.000 0.455 642 Q N 1.336 121.095 119.800 -0.068 0.000 2.425 642 Q HA 0.273 4.615 4.340 0.002 0.000 0.204 642 Q C 0.926 176.892 176.000 -0.056 0.000 0.933 642 Q CA 0.087 55.858 55.803 -0.054 0.000 0.939 642 Q CB 0.148 28.853 28.738 -0.054 0.000 1.044 642 Q HN 0.465 nan 8.270 nan 0.000 0.513 643 V N 2.861 122.732 119.914 -0.073 0.000 2.788 643 V HA -0.080 4.042 4.120 0.002 0.000 0.307 643 V C 0.018 176.089 176.094 -0.038 0.000 1.069 643 V CA -0.018 62.244 62.300 -0.062 0.000 1.173 643 V CB 0.842 32.619 31.823 -0.075 0.000 0.925 643 V HN 0.148 nan 8.190 nan 0.000 0.492 644 D N 5.088 125.470 120.400 -0.030 0.000 2.344 644 D HA 0.099 4.740 4.640 0.002 0.000 0.253 644 D C 1.012 177.302 176.300 -0.016 0.000 1.255 644 D CA 0.175 54.163 54.000 -0.020 0.000 0.894 644 D CB 0.744 41.535 40.800 -0.016 0.000 1.067 644 D HN 0.543 nan 8.370 nan 0.000 0.492 645 L N 3.292 124.508 121.223 -0.012 0.000 2.353 645 L HA -0.094 4.247 4.340 0.002 0.000 0.220 645 L C 1.419 178.285 176.870 -0.005 0.000 1.133 645 L CA 0.519 55.354 54.840 -0.008 0.000 0.798 645 L CB -0.213 41.845 42.059 -0.002 0.000 0.922 645 L HN 0.349 nan 8.230 nan 0.000 0.445 646 N N -0.292 118.405 118.700 -0.005 0.000 2.270 646 N HA -0.013 4.728 4.740 0.002 0.000 0.198 646 N C 0.197 175.703 175.510 -0.005 0.000 1.117 646 N CA 0.208 53.256 53.050 -0.003 0.000 0.845 646 N CB -0.011 38.475 38.487 -0.002 0.000 0.980 646 N HN 0.184 nan 8.380 nan 0.000 0.486 647 N N 1.628 120.323 118.700 -0.008 0.000 2.621 647 N HA 0.229 4.971 4.740 0.002 0.000 0.237 647 N C -1.989 173.515 175.510 -0.010 0.000 0.997 647 N CA -1.878 51.167 53.050 -0.009 0.000 0.918 647 N CB 1.745 40.226 38.487 -0.011 0.000 1.122 647 N HN -0.131 nan 8.380 nan 0.000 0.510 648 P HA -0.069 nan 4.420 nan 0.000 0.216 648 P C 1.526 178.820 177.300 -0.010 0.000 1.150 648 P CA 0.676 63.770 63.100 -0.010 0.000 0.837 648 P CB 0.514 32.209 31.700 -0.010 0.000 0.786 649 I N -0.467 120.097 120.570 -0.009 0.000 2.353 649 I HA -0.120 4.051 4.170 0.002 0.000 0.248 649 I C 2.227 178.339 176.117 -0.008 0.000 1.119 649 I CA 1.216 62.511 61.300 -0.008 0.000 1.417 649 I CB -1.848 36.148 38.000 -0.007 0.000 1.078 649 I HN -0.095 nan 8.210 nan 0.000 0.421 650 A N 0.682 123.496 122.820 -0.011 0.000 1.933 650 A HA -0.125 4.196 4.320 0.002 0.000 0.218 650 A C 2.558 180.133 177.584 -0.014 0.000 1.175 650 A CA 1.618 53.647 52.037 -0.014 0.000 0.628 650 A CB -0.857 18.131 19.000 -0.019 0.000 0.814 650 A HN 0.237 nan 8.150 nan 0.000 0.444 651 V N -0.128 119.777 119.914 -0.014 0.000 2.358 651 V HA -0.206 3.916 4.120 0.002 0.000 0.246 651 V C 2.666 178.757 176.094 -0.006 0.000 1.047 651 V CA 2.300 64.592 62.300 -0.013 0.000 1.035 651 V CB -0.736 31.079 31.823 -0.014 0.000 0.658 651 V HN 0.645 nan 8.190 nan 0.000 0.452 652 R N 0.221 120.717 120.500 -0.007 0.000 2.096 652 R HA -0.089 4.252 4.340 0.002 0.000 0.235 652 R C 2.145 178.449 176.300 0.006 0.000 1.127 652 R CA 1.860 57.956 56.100 -0.006 0.000 0.968 652 R CB -0.505 29.788 30.300 -0.011 0.000 0.861 652 R HN 0.469 nan 8.270 nan 0.000 0.440 653 M N -0.722 118.884 119.600 0.009 0.000 2.117 653 M HA -0.161 4.320 4.480 0.002 0.000 0.262 653 M C 1.966 178.299 176.300 0.054 0.000 1.065 653 M CA 1.486 56.799 55.300 0.023 0.000 1.114 653 M CB -0.246 32.364 32.600 0.017 0.000 1.361 653 M HN 0.143 nan 8.290 nan 0.000 0.408 654 M N -0.055 119.579 119.600 0.057 0.000 2.200 654 M HA -0.117 4.364 4.480 0.002 0.000 0.265 654 M C 1.661 178.056 176.300 0.158 0.000 1.066 654 M CA 1.334 56.712 55.300 0.130 0.000 1.127 654 M CB -1.432 31.188 32.600 0.034 0.000 1.379 654 M HN 0.271 nan 8.290 nan 0.000 0.420 655 N N 1.126 119.869 118.700 0.071 0.000 2.166 655 N HA -0.153 4.589 4.740 0.002 0.000 0.186 655 N C 1.203 176.740 175.510 0.045 0.000 1.019 655 N CA 1.261 54.337 53.050 0.044 0.000 0.856 655 N CB -0.364 38.121 38.487 -0.003 0.000 0.993 655 N HN 0.302 nan 8.380 nan 0.000 0.426 656 D N 0.903 121.326 120.400 0.038 0.000 2.144 656 D HA -0.104 4.537 4.640 0.002 0.000 0.199 656 D C 1.940 178.256 176.300 0.027 0.000 0.984 656 D CA 0.816 54.831 54.000 0.026 0.000 0.834 656 D CB -0.167 40.640 40.800 0.012 0.000 0.955 656 D HN 0.394 nan 8.370 nan 0.000 0.465 657 Q N -0.199 119.624 119.800 0.039 0.000 2.084 657 Q HA -0.067 4.274 4.340 0.002 0.000 0.202 657 Q C 2.424 178.370 176.000 -0.089 0.000 0.978 657 Q CA 0.675 56.452 55.803 -0.044 0.000 0.844 657 Q CB -0.051 28.673 28.738 -0.022 0.000 0.898 657 Q HN 0.305 nan 8.270 nan 0.000 0.426 658 L N 0.067 121.311 121.223 0.035 0.000 2.046 658 L HA -0.198 4.143 4.340 0.002 0.000 0.208 658 L C 2.564 179.610 176.870 0.292 0.000 1.077 658 L CA 1.122 56.055 54.840 0.156 0.000 0.747 658 L CB -0.346 41.834 42.059 0.200 0.000 0.896 658 L HN 0.344 nan 8.230 nan 0.000 0.432 659 M N -0.519 119.196 119.600 0.191 0.000 2.175 659 M HA -0.179 4.302 4.480 0.002 0.000 0.264 659 M C 1.829 178.235 176.300 0.176 0.000 1.063 659 M CA 1.749 57.191 55.300 0.236 0.000 1.119 659 M CB 0.108 32.775 32.600 0.111 0.000 1.377 659 M HN 0.202 nan 8.290 nan 0.000 0.415 660 L N 0.116 121.382 121.223 0.072 0.000 2.592 660 L HA -0.020 4.321 4.340 0.002 0.000 0.227 660 L C 2.072 178.909 176.870 -0.056 0.000 1.127 660 L CA -0.406 54.441 54.840 0.011 0.000 0.884 660 L CB -0.279 41.765 42.059 -0.024 0.000 1.065 660 L HN 0.409 nan 8.230 nan 0.000 0.457 661 L N 0.564 121.759 121.223 -0.046 0.000 2.017 661 L HA -0.206 4.136 4.340 0.002 0.000 0.208 661 L C 2.302 179.058 176.870 -0.189 0.000 1.073 661 L CA 2.022 56.771 54.840 -0.152 0.000 0.745 661 L CB -0.276 41.732 42.059 -0.085 0.000 0.894 661 L HN 0.315 nan 8.230 nan 0.000 0.432 662 E N -0.074 120.148 120.200 0.037 0.000 2.153 662 E HA -0.206 4.145 4.350 0.002 0.000 0.194 662 E C 2.165 178.778 176.600 0.022 0.000 0.988 662 E CA 1.002 57.521 56.400 0.198 0.000 0.811 662 E CB 0.050 29.940 29.700 0.316 0.000 0.746 662 E HN 0.269 nan 8.360 nan 0.000 0.466 663 R N -0.107 120.373 120.500 -0.033 0.000 2.152 663 R HA 0.000 4.341 4.340 0.002 0.000 0.232 663 R C 2.093 178.281 176.300 -0.186 0.000 1.117 663 R CA 1.014 57.072 56.100 -0.069 0.000 0.981 663 R CB -0.837 29.442 30.300 -0.036 0.000 0.870 663 R HN 0.254 nan 8.270 nan 0.000 0.451 664 A N 0.328 122.941 122.820 -0.346 0.000 2.067 664 A HA -0.086 4.235 4.320 0.002 0.000 0.219 664 A C 1.447 178.750 177.584 -0.469 0.000 1.158 664 A CA 0.848 52.623 52.037 -0.438 0.000 0.661 664 A CB -0.511 18.140 19.000 -0.582 0.000 0.801 664 A HN 0.162 nan 8.150 nan 0.000 0.452 665 F N -0.095 119.665 119.950 -0.318 0.000 2.802 665 F HA 0.194 4.722 4.527 0.002 0.000 0.300 665 F C 0.542 176.081 175.800 -0.435 0.000 1.168 665 F CA -0.495 57.227 58.000 -0.464 0.000 1.433 665 F CB -0.078 38.439 39.000 -0.805 0.000 1.115 665 F HN 0.018 nan 8.300 nan 0.000 0.582 666 I N 1.235 121.706 120.570 -0.164 0.000 2.352 666 I HA 0.080 4.252 4.170 0.002 0.000 0.290 666 I C -0.112 175.993 176.117 -0.021 0.000 1.036 666 I CA -0.377 60.868 61.300 -0.091 0.000 1.336 666 I CB 0.401 38.363 38.000 -0.065 0.000 1.407 666 I HN -0.086 nan 8.210 nan 0.000 0.497 667 D N 9.804 130.214 120.400 0.016 0.000 2.349 667 D HA 0.299 4.940 4.640 0.002 0.000 0.232 667 D C -1.619 174.693 176.300 0.019 0.000 1.071 667 D CA -2.074 51.954 54.000 0.047 0.000 0.832 667 D CB 2.265 43.114 40.800 0.081 0.000 1.086 667 D HN 0.216 nan 8.370 nan 0.000 0.504 668 P HA -0.084 nan 4.420 nan 0.000 0.225 668 P C 1.494 178.771 177.300 -0.039 0.000 1.148 668 P CA 0.539 63.630 63.100 -0.016 0.000 0.779 668 P CB 0.453 32.147 31.700 -0.010 0.000 0.780 669 L N -1.688 119.521 121.223 -0.024 0.000 2.478 669 L HA 0.127 4.468 4.340 0.002 0.000 0.223 669 L C 1.477 178.316 176.870 -0.053 0.000 1.140 669 L CA 0.588 55.404 54.840 -0.040 0.000 0.842 669 L CB -1.246 40.800 42.059 -0.021 0.000 0.953 669 L HN 0.116 nan 8.230 nan 0.000 0.452 670 G N 0.451 109.230 108.800 -0.035 0.000 2.750 670 G HA2 -0.261 3.701 3.960 0.002 0.000 0.228 670 G HA3 -0.261 3.701 3.960 0.002 0.000 0.228 670 G C -0.606 174.303 174.900 0.015 0.000 1.367 670 G CA -0.602 44.477 45.100 -0.035 0.000 0.871 670 G HN 0.056 nan 8.290 nan 0.000 0.560 671 L N 0.908 122.143 121.223 0.020 0.000 2.387 671 L HA 0.490 4.831 4.340 0.002 0.000 0.266 671 L C -1.868 175.003 176.870 0.001 0.000 1.059 671 L CA -2.053 52.807 54.840 0.032 0.000 0.801 671 L CB 1.755 43.843 42.059 0.049 0.000 1.223 671 L HN 0.327 nan 8.230 nan 0.000 0.456 672 P HA 0.009 nan 4.420 nan 0.000 0.261 672 P C 0.584 177.866 177.300 -0.029 0.000 1.183 672 P CA 0.905 64.006 63.100 0.002 0.000 0.761 672 P CB 0.491 32.192 31.700 0.001 0.000 0.785 673 G N 2.799 111.574 108.800 -0.043 0.000 2.168 673 G HA2 -0.304 3.658 3.960 0.002 0.000 0.263 673 G HA3 -0.304 3.658 3.960 0.002 0.000 0.263 673 G C 0.081 174.924 174.900 -0.095 0.000 0.977 673 G CA 0.085 45.148 45.100 -0.061 0.000 0.659 673 G HN 0.574 nan 8.290 nan 0.000 0.533 674 K N -0.129 120.202 120.400 -0.115 0.000 2.701 674 K HA 0.467 4.789 4.320 0.002 0.000 0.212 674 K C 1.262 177.712 176.600 -0.250 0.000 1.035 674 K CA -0.665 55.518 56.287 -0.174 0.000 1.048 674 K CB 0.787 33.229 32.500 -0.097 0.000 1.234 674 K HN 0.114 nan 8.250 nan 0.000 0.540 675 L N 0.854 121.807 121.223 -0.450 0.000 2.191 675 L HA -0.091 4.250 4.340 0.002 0.000 0.212 675 L C 0.934 177.335 176.870 -0.781 0.000 1.103 675 L CA 1.558 55.978 54.840 -0.700 0.000 0.769 675 L CB -0.164 41.218 42.059 -1.128 0.000 0.908 675 L HN 0.496 nan 8.230 nan 0.000 0.438 676 F N -2.603 117.237 119.950 -0.184 0.000 2.678 676 F HA 0.159 4.687 4.527 0.002 0.000 0.305 676 F C 0.016 175.785 175.800 -0.051 0.000 1.090 676 F CA -0.696 57.198 58.000 -0.178 0.000 1.272 676 F CB 0.051 38.894 39.000 -0.261 0.000 1.060 676 F HN -0.135 nan 8.300 nan 0.000 0.576 677 Y N 1.088 121.398 120.300 0.018 0.000 2.504 677 Y HA 0.433 4.984 4.550 0.002 0.000 0.339 677 Y C 1.092 176.993 175.900 0.001 0.000 0.974 677 Y CA -1.434 56.674 58.100 0.014 0.000 1.232 677 Y CB 0.463 38.923 38.460 0.000 0.000 1.108 677 Y HN 0.038 nan 8.280 nan 0.000 0.509 678 R N -0.117 120.490 120.500 0.178 0.000 2.373 678 R HA 0.060 4.401 4.340 0.002 0.000 0.221 678 R C 0.103 176.458 176.300 0.092 0.000 0.893 678 R CA -0.194 55.962 56.100 0.093 0.000 1.049 678 R CB 0.543 30.873 30.300 0.051 0.000 1.119 678 R HN 0.432 nan 8.270 nan 0.000 0.535 679 H N 1.592 120.662 119.070 -0.000 0.000 2.767 679 H HA 0.070 4.627 4.556 0.002 0.000 0.316 679 H C 1.059 176.371 175.328 -0.026 0.000 1.059 679 H CA 0.147 56.171 56.048 -0.041 0.000 1.461 679 H CB 0.986 30.650 29.762 -0.162 0.000 1.475 679 H HN -0.034 nan 8.280 nan 0.000 0.531 680 I N 5.643 126.268 120.570 0.092 0.000 2.876 680 I HA -0.192 3.979 4.170 0.002 0.000 0.264 680 I C 1.889 178.025 176.117 0.030 0.000 1.204 680 I CA 0.427 61.791 61.300 0.106 0.000 1.485 680 I CB -0.291 37.786 38.000 0.128 0.000 1.103 680 I HN 0.559 nan 8.210 nan 0.000 0.446 681 I N -0.357 120.182 120.570 -0.051 0.000 2.585 681 I HA 0.010 4.181 4.170 0.002 0.000 0.254 681 I C 0.667 176.257 176.117 -0.878 0.000 1.129 681 I CA 0.891 61.784 61.300 -0.680 0.000 1.455 681 I CB -0.676 36.677 38.000 -1.078 0.000 1.111 681 I HN -0.102 nan 8.210 nan 0.000 0.433 682 F N 0.445 120.256 119.950 -0.232 0.000 2.551 682 F HA 0.712 5.240 4.527 0.002 0.000 0.316 682 F C 0.108 175.769 175.800 -0.231 0.000 1.089 682 F CA -0.812 57.000 58.000 -0.313 0.000 0.915 682 F CB 1.912 40.723 39.000 -0.316 0.000 1.186 682 F HN -0.144 nan 8.300 nan 0.000 0.456 683 A N 2.742 125.525 122.820 -0.062 0.000 2.587 683 A HA 0.864 5.185 4.320 0.002 0.000 0.293 683 A C -3.085 174.339 177.584 -0.267 0.000 1.087 683 A CA -2.134 49.767 52.037 -0.228 0.000 0.692 683 A CB 1.672 20.538 19.000 -0.223 0.000 1.291 683 A HN 0.390 nan 8.150 nan 0.000 0.407 684 P HA 0.119 nan 4.420 nan 0.000 0.265 684 P C 0.120 177.299 177.300 -0.201 0.000 1.193 684 P CA 0.278 63.206 63.100 -0.287 0.000 0.765 684 P CB 0.663 32.158 31.700 -0.341 0.000 0.823 685 S N 2.157 117.770 115.700 -0.145 0.000 2.552 685 S HA 0.009 4.480 4.470 0.002 0.000 0.289 685 S C 1.462 175.983 174.600 -0.133 0.000 1.304 685 S CA 0.222 58.340 58.200 -0.138 0.000 1.063 685 S CB -0.185 62.954 63.200 -0.102 0.000 0.848 685 S HN 0.492 nan 8.310 nan 0.000 0.499 686 S N 3.719 119.297 115.700 -0.203 0.000 2.507 686 S HA -0.053 4.418 4.470 0.002 0.000 0.235 686 S C 1.115 175.427 174.600 -0.480 0.000 0.988 686 S CA 0.585 58.597 58.200 -0.313 0.000 0.944 686 S CB -0.454 62.519 63.200 -0.379 0.000 0.762 686 S HN 0.897 nan 8.310 nan 0.000 0.526 687 H N 0.870 119.866 119.070 -0.123 0.000 2.592 687 H HA 0.356 4.913 4.556 0.002 0.000 0.265 687 H C 0.091 175.382 175.328 -0.061 0.000 0.955 687 H CA 0.206 56.185 56.048 -0.116 0.000 1.175 687 H CB 0.202 29.861 29.762 -0.173 0.000 1.433 687 H HN 0.469 nan 8.280 nan 0.000 0.537 688 N N 0.844 119.554 118.700 0.017 0.000 3.261 688 N HA -0.042 4.699 4.740 0.002 0.000 0.227 688 N C 0.637 176.128 175.510 -0.031 0.000 1.338 688 N CA -0.221 52.842 53.050 0.021 0.000 0.833 688 N CB 0.933 39.447 38.487 0.044 0.000 1.606 688 N HN 0.132 nan 8.380 nan 0.000 0.649 689 K N 1.623 121.966 120.400 -0.096 0.000 2.362 689 K HA -0.094 4.227 4.320 0.002 0.000 0.200 689 K C 0.246 176.768 176.600 -0.131 0.000 1.046 689 K CA 0.995 57.173 56.287 -0.181 0.000 0.952 689 K CB -0.154 32.155 32.500 -0.319 0.000 0.753 689 K HN 0.368 nan 8.250 nan 0.000 0.466 690 Y N 1.639 121.909 120.300 -0.050 0.000 2.352 690 Y HA 0.080 4.631 4.550 0.003 0.000 0.292 690 Y C 1.409 177.288 175.900 -0.036 0.000 1.136 690 Y CA 0.102 58.179 58.100 -0.038 0.000 1.227 690 Y CB -0.486 37.977 38.460 0.005 0.000 0.991 690 Y HN 0.159 nan 8.280 nan 0.000 0.545 691 A N 0.177 123.059 122.820 0.103 0.000 2.310 691 A HA 0.632 4.953 4.320 0.002 0.000 0.299 691 A C 0.780 178.340 177.584 -0.040 0.000 1.147 691 A CA -0.029 52.019 52.037 0.017 0.000 0.818 691 A CB 0.071 19.066 19.000 -0.009 0.000 1.096 691 A HN 0.283 nan 8.150 nan 0.000 0.495 692 G N 0.391 109.153 108.800 -0.063 0.000 2.420 692 G HA2 0.501 4.462 3.960 0.002 0.000 0.284 692 G HA3 0.501 4.462 3.960 0.002 0.000 0.284 692 G C -0.541 174.287 174.900 -0.120 0.000 1.177 692 G CA -0.132 44.915 45.100 -0.089 0.000 0.841 692 G HN 0.707 nan 8.290 nan 0.000 0.527 693 E N 0.411 120.525 120.200 -0.144 0.000 2.210 693 E HA 0.528 4.879 4.350 0.002 0.000 0.266 693 E C -0.273 176.196 176.600 -0.218 0.000 0.883 693 E CA -0.477 55.783 56.400 -0.234 0.000 0.761 693 E CB 1.511 31.018 29.700 -0.320 0.000 1.156 693 E HN 0.290 nan 8.360 nan 0.000 0.412 694 S N 3.103 118.608 115.700 -0.324 0.000 2.610 694 S HA 0.355 4.826 4.470 0.002 0.000 0.273 694 S C -0.650 173.788 174.600 -0.271 0.000 1.274 694 S CA -0.478 57.376 58.200 -0.578 0.000 1.023 694 S CB 0.067 62.588 63.200 -1.132 0.000 0.962 694 S HN 0.582 nan 8.310 nan 0.000 0.523 695 F N 0.754 120.561 119.950 -0.239 0.000 2.829 695 F HA -0.132 4.397 4.527 0.002 0.000 0.237 695 F C -1.349 174.454 175.800 0.007 0.000 1.017 695 F CA -0.105 57.851 58.000 -0.074 0.000 0.882 695 F CB -1.685 37.328 39.000 0.022 0.000 0.795 695 F HN 0.472 nan 8.300 nan 0.000 0.848 696 P HA -0.160 nan 4.420 nan 0.000 0.218 696 P C 1.852 179.202 177.300 0.084 0.000 1.148 696 P CA 2.010 65.153 63.100 0.073 0.000 0.822 696 P CB 0.049 31.741 31.700 -0.013 0.000 0.784 697 G N 0.375 109.199 108.800 0.041 0.000 2.418 697 G HA2 -0.189 3.772 3.960 0.002 0.000 0.217 697 G HA3 -0.189 3.772 3.960 0.002 0.000 0.217 697 G C 1.670 176.513 174.900 -0.095 0.000 1.158 697 G CA 0.510 45.495 45.100 -0.192 0.000 0.771 697 G HN 0.250 nan 8.290 nan 0.000 0.545 698 I N -1.067 119.588 120.570 0.142 0.000 2.233 698 I HA -0.068 4.103 4.170 0.002 0.000 0.243 698 I C 2.427 178.660 176.117 0.193 0.000 1.093 698 I CA 0.858 62.269 61.300 0.186 0.000 1.380 698 I CB -0.352 37.780 38.000 0.219 0.000 1.067 698 I HN 0.185 nan 8.210 nan 0.000 0.413 699 Y N 2.171 122.555 120.300 0.140 0.000 2.128 699 Y HA -0.332 4.220 4.550 0.002 0.000 0.284 699 Y C 2.181 178.169 175.900 0.147 0.000 1.154 699 Y CA 1.965 60.159 58.100 0.157 0.000 1.149 699 Y CB -0.187 38.350 38.460 0.129 0.000 0.976 699 Y HN 0.172 nan 8.280 nan 0.000 0.505 700 D N -0.211 120.332 120.400 0.238 0.000 2.178 700 D HA -0.102 4.539 4.640 0.002 0.000 0.202 700 D C 2.192 178.520 176.300 0.047 0.000 0.974 700 D CA 1.198 55.288 54.000 0.150 0.000 0.841 700 D CB -0.425 40.416 40.800 0.067 0.000 0.953 700 D HN 0.491 nan 8.370 nan 0.000 0.478 701 A N 0.592 123.404 122.820 -0.012 0.000 1.930 701 A HA -0.083 4.238 4.320 0.002 0.000 0.217 701 A C 2.190 179.680 177.584 -0.157 0.000 1.175 701 A CA 0.650 52.656 52.037 -0.053 0.000 0.627 701 A CB -0.342 18.673 19.000 0.025 0.000 0.815 701 A HN 0.156 nan 8.150 nan 0.000 0.443 702 I N -1.661 118.830 120.570 -0.132 0.000 2.716 702 I HA -0.002 4.169 4.170 0.002 0.000 0.259 702 I C 0.762 176.748 176.117 -0.218 0.000 1.172 702 I CA 0.262 61.424 61.300 -0.230 0.000 1.478 702 I CB -0.587 37.381 38.000 -0.054 0.000 1.104 702 I HN 0.347 nan 8.210 nan 0.000 0.439 703 F N 3.205 122.987 119.950 -0.281 0.000 2.590 703 F HA -0.076 4.452 4.527 0.001 0.000 0.389 703 F C 1.125 176.876 175.800 -0.083 0.000 1.049 703 F CA 0.398 58.276 58.000 -0.205 0.000 1.199 703 F CB -0.083 38.843 39.000 -0.123 0.000 1.058 703 F HN 0.152 nan 8.300 nan 0.000 0.556 704 D N 4.305 124.232 120.400 -0.789 0.000 2.911 704 D HA -0.315 4.326 4.640 0.002 0.000 0.227 704 D C 1.165 177.275 176.300 -0.317 0.000 1.164 704 D CA 1.202 54.864 54.000 -0.562 0.000 0.782 704 D CB -1.471 39.058 40.800 -0.451 0.000 1.094 704 D HN 0.719 nan 8.370 nan 0.000 0.425 705 I N 0.395 120.759 120.570 -0.343 0.000 2.454 705 I HA -0.248 3.924 4.170 0.002 0.000 0.254 705 I C 2.274 178.212 176.117 -0.297 0.000 1.156 705 I CA 1.705 62.746 61.300 -0.431 0.000 1.433 705 I CB -0.028 37.483 38.000 -0.815 0.000 1.082 705 I HN 0.263 nan 8.210 nan 0.000 0.432 706 E N 0.203 120.306 120.200 -0.162 0.000 2.338 706 E HA -0.225 4.127 4.350 0.002 0.000 0.197 706 E C 0.799 177.348 176.600 -0.084 0.000 1.007 706 E CA 0.974 57.348 56.400 -0.043 0.000 0.849 706 E CB -0.550 29.179 29.700 0.048 0.000 0.774 706 E HN 0.573 nan 8.360 nan 0.000 0.506 707 N N 0.744 119.358 118.700 -0.144 0.000 2.236 707 N HA 0.036 4.777 4.740 0.002 0.000 0.196 707 N C -0.123 175.326 175.510 -0.101 0.000 1.114 707 N CA -0.012 52.959 53.050 -0.132 0.000 0.859 707 N CB 0.437 38.803 38.487 -0.200 0.000 0.982 707 N HN 0.022 nan 8.380 nan 0.000 0.493 708 K N 1.050 121.379 120.400 -0.118 0.000 2.401 708 K HA 0.177 4.498 4.320 0.002 0.000 0.278 708 K C 1.014 177.576 176.600 -0.063 0.000 1.018 708 K CA -0.094 56.134 56.287 -0.098 0.000 0.981 708 K CB 1.095 33.501 32.500 -0.156 0.000 0.933 708 K HN -0.010 nan 8.250 nan 0.000 0.477 709 A N 3.232 126.028 122.820 -0.040 0.000 1.933 709 A HA -0.156 4.165 4.320 0.002 0.000 0.218 709 A C 0.985 178.564 177.584 -0.009 0.000 1.175 709 A CA 1.358 53.384 52.037 -0.019 0.000 0.628 709 A CB -0.104 18.890 19.000 -0.010 0.000 0.814 709 A HN 0.705 nan 8.150 nan 0.000 0.444 710 N N -0.427 118.262 118.700 -0.017 0.000 2.564 710 N HA 0.181 4.922 4.740 0.002 0.000 0.248 710 N C 0.864 176.371 175.510 -0.004 0.000 0.986 710 N CA 0.598 53.651 53.050 0.004 0.000 0.921 710 N CB 1.434 39.923 38.487 0.004 0.000 1.136 710 N HN 0.267 nan 8.380 nan 0.000 0.509 711 S N 3.453 119.180 115.700 0.045 0.000 2.383 711 S HA -0.142 4.329 4.470 0.002 0.000 0.227 711 S C 1.827 176.498 174.600 0.117 0.000 1.026 711 S CA 0.656 58.895 58.200 0.064 0.000 0.981 711 S CB -0.048 63.280 63.200 0.213 0.000 0.818 711 S HN 0.642 nan 8.310 nan 0.000 0.472 712 R N 0.407 121.043 120.500 0.226 0.000 2.073 712 R HA -0.030 4.311 4.340 0.002 0.000 0.234 712 R C 2.420 178.804 176.300 0.140 0.000 1.134 712 R CA 1.563 57.831 56.100 0.281 0.000 0.952 712 R CB -0.534 29.891 30.300 0.208 0.000 0.850 712 R HN 0.478 nan 8.270 nan 0.000 0.433 713 L N 0.617 121.875 121.223 0.058 0.000 2.046 713 L HA -0.053 4.288 4.340 0.002 0.000 0.208 713 L C 2.286 179.129 176.870 -0.046 0.000 1.077 713 L CA 2.078 56.925 54.840 0.012 0.000 0.747 713 L CB -0.537 41.520 42.059 -0.004 0.000 0.896 713 L HN 0.263 nan 8.230 nan 0.000 0.432 714 A N -1.170 121.571 122.820 -0.132 0.000 1.902 714 A HA -0.241 4.081 4.320 0.002 0.000 0.217 714 A C 2.056 179.410 177.584 -0.383 0.000 1.181 714 A CA 1.855 53.710 52.037 -0.303 0.000 0.623 714 A CB -1.342 17.378 19.000 -0.468 0.000 0.818 714 A HN 0.659 nan 8.150 nan 0.000 0.443 715 W N -0.014 121.165 121.300 -0.202 0.000 2.402 715 W HA -0.018 4.643 4.660 0.002 0.000 0.286 715 W C 2.256 178.716 176.519 -0.098 0.000 1.221 715 W CA 1.190 58.407 57.345 -0.213 0.000 1.257 715 W CB 0.058 29.255 29.460 -0.438 0.000 1.120 715 W HN 0.226 nan 8.180 nan 0.000 0.551 716 K N 0.168 120.641 120.400 0.122 0.000 2.148 716 K HA -0.149 4.172 4.320 0.002 0.000 0.204 716 K C 1.753 178.359 176.600 0.011 0.000 1.050 716 K CA 1.119 57.447 56.287 0.069 0.000 0.942 716 K CB -0.115 32.415 32.500 0.051 0.000 0.724 716 K HN 0.038 nan 8.250 nan 0.000 0.446 717 E N 0.479 120.673 120.200 -0.010 0.000 2.152 717 E HA -0.112 4.239 4.350 0.002 0.000 0.192 717 E C 2.119 178.753 176.600 0.056 0.000 0.983 717 E CA 0.747 57.150 56.400 0.005 0.000 0.818 717 E CB -0.151 29.565 29.700 0.026 0.000 0.758 717 E HN 0.059 nan 8.360 nan 0.000 0.467 718 V N 1.665 121.590 119.914 0.019 0.000 2.295 718 V HA -0.257 3.865 4.120 0.002 0.000 0.246 718 V C 2.535 178.640 176.094 0.019 0.000 1.049 718 V CA 1.891 64.223 62.300 0.053 0.000 1.024 718 V CB -0.449 31.432 31.823 0.097 0.000 0.648 718 V HN 0.206 nan 8.190 nan 0.000 0.447 719 K N 0.388 120.797 120.400 0.016 0.000 2.063 719 K HA -0.279 4.043 4.320 0.002 0.000 0.208 719 K C 2.291 178.836 176.600 -0.092 0.000 1.048 719 K CA 2.056 58.318 56.287 -0.042 0.000 0.928 719 K CB -0.209 32.289 32.500 -0.003 0.000 0.713 719 K HN 0.428 nan 8.250 nan 0.000 0.442 720 K N -0.253 120.067 120.400 -0.134 0.000 2.009 720 K HA -0.226 4.095 4.320 0.002 0.000 0.210 720 K C 1.826 178.231 176.600 -0.325 0.000 1.049 720 K CA 2.161 58.290 56.287 -0.263 0.000 0.929 720 K CB -0.182 32.080 32.500 -0.397 0.000 0.714 720 K HN 0.369 nan 8.250 nan 0.000 0.440 721 H N -0.018 119.038 119.070 -0.023 0.000 2.428 721 H HA 0.048 4.605 4.556 0.002 0.000 0.296 721 H C 1.994 177.298 175.328 -0.039 0.000 1.062 721 H CA 1.420 57.464 56.048 -0.007 0.000 1.350 721 H CB 0.087 29.859 29.762 0.017 0.000 1.403 721 H HN 0.164 nan 8.280 nan 0.000 0.533 722 I N -0.471 120.080 120.570 -0.033 0.000 2.226 722 I HA -0.307 3.864 4.170 0.002 0.000 0.245 722 I C 2.569 178.634 176.117 -0.087 0.000 1.100 722 I CA 1.292 62.510 61.300 -0.137 0.000 1.374 722 I CB -0.269 37.550 38.000 -0.302 0.000 1.057 722 I HN 0.238 nan 8.210 nan 0.000 0.413 723 S N 0.985 116.644 115.700 -0.069 0.000 2.368 723 S HA -0.141 4.330 4.470 0.002 0.000 0.225 723 S C 2.061 176.688 174.600 0.044 0.000 1.030 723 S CA 1.294 59.479 58.200 -0.025 0.000 0.999 723 S CB -0.299 62.871 63.200 -0.051 0.000 0.844 723 S HN 0.319 nan 8.310 nan 0.000 0.459 724 I N 1.502 122.094 120.570 0.038 0.000 2.226 724 I HA -0.148 4.023 4.170 0.002 0.000 0.245 724 I C 2.769 178.998 176.117 0.188 0.000 1.100 724 I CA 1.100 62.482 61.300 0.137 0.000 1.374 724 I CB -0.483 37.584 38.000 0.112 0.000 1.057 724 I HN 0.382 nan 8.210 nan 0.000 0.413 725 A N 0.692 123.580 122.820 0.114 0.000 1.898 725 A HA -0.135 4.186 4.320 0.002 0.000 0.216 725 A C 2.546 180.169 177.584 0.064 0.000 1.181 725 A CA 1.745 53.842 52.037 0.101 0.000 0.620 725 A CB -0.782 18.192 19.000 -0.045 0.000 0.819 725 A HN 0.420 nan 8.150 nan 0.000 0.442 726 A N -0.752 122.083 122.820 0.026 0.000 1.877 726 A HA -0.057 4.264 4.320 0.002 0.000 0.216 726 A C 2.058 179.689 177.584 0.079 0.000 1.186 726 A CA 1.703 53.761 52.037 0.035 0.000 0.620 726 A CB -0.819 18.197 19.000 0.027 0.000 0.822 726 A HN 0.829 nan 8.150 nan 0.000 0.443 727 F N 1.638 121.599 119.950 0.018 0.000 2.095 727 F HA -0.171 4.358 4.527 0.002 0.000 0.298 727 F C 2.310 178.135 175.800 0.041 0.000 1.104 727 F CA 2.408 60.421 58.000 0.022 0.000 1.232 727 F CB -0.918 38.085 39.000 0.006 0.000 0.987 727 F HN 0.196 nan 8.300 nan 0.000 0.475 728 T N 1.542 115.936 114.554 -0.266 0.000 2.746 728 T HA -0.139 4.213 4.350 0.002 0.000 0.267 728 T C 2.154 176.722 174.700 -0.219 0.000 1.039 728 T CA 1.927 63.809 62.100 -0.364 0.000 1.142 728 T CB -0.470 68.419 68.868 0.034 0.000 0.866 728 T HN 0.316 nan 8.240 nan 0.000 0.444 729 I N 0.901 121.462 120.570 -0.015 0.000 2.252 729 I HA -0.178 3.993 4.170 0.002 0.000 0.245 729 I C 2.800 178.951 176.117 0.056 0.000 1.102 729 I CA 1.117 62.473 61.300 0.093 0.000 1.385 729 I CB -0.302 37.757 38.000 0.099 0.000 1.064 729 I HN 0.177 nan 8.210 nan 0.000 0.414 730 Q N 1.294 121.067 119.800 -0.044 0.000 2.084 730 Q HA -0.163 4.178 4.340 0.002 0.000 0.202 730 Q C 2.166 178.080 176.000 -0.144 0.000 0.978 730 Q CA 2.230 58.009 55.803 -0.041 0.000 0.844 730 Q CB -0.309 28.415 28.738 -0.024 0.000 0.898 730 Q HN 0.487 nan 8.270 nan 0.000 0.426 731 A N 0.307 122.901 122.820 -0.376 0.000 1.902 731 A HA -0.055 4.267 4.320 0.002 0.000 0.217 731 A C 2.309 179.729 177.584 -0.273 0.000 1.181 731 A CA 1.904 53.709 52.037 -0.386 0.000 0.623 731 A CB -1.242 17.325 19.000 -0.721 0.000 0.818 731 A HN 0.526 nan 8.150 nan 0.000 0.443 732 A N -0.009 122.635 122.820 -0.294 0.000 1.883 732 A HA 0.089 4.410 4.320 0.002 0.000 0.217 732 A C 2.532 180.022 177.584 -0.157 0.000 1.186 732 A CA 2.351 54.203 52.037 -0.308 0.000 0.624 732 A CB -1.134 17.539 19.000 -0.545 0.000 0.822 732 A HN 1.141 nan 8.150 nan 0.000 0.444 733 A N -0.550 122.256 122.820 -0.023 0.000 1.908 733 A HA 0.065 4.386 4.320 0.002 0.000 0.218 733 A C 2.421 179.907 177.584 -0.165 0.000 1.181 733 A CA 2.024 53.957 52.037 -0.172 0.000 0.627 733 A CB -1.447 17.532 19.000 -0.036 0.000 0.818 733 A HN 0.840 nan 8.150 nan 0.000 0.445 734 G N -0.613 108.116 108.800 -0.118 0.000 2.448 734 G HA2 -0.195 3.766 3.960 0.002 0.000 0.219 734 G HA3 -0.195 3.766 3.960 0.002 0.000 0.219 734 G C 1.642 176.478 174.900 -0.107 0.000 1.127 734 G CA 1.908 46.952 45.100 -0.093 0.000 0.766 734 G HN 0.756 nan 8.290 nan 0.000 0.552 735 T N -0.942 113.522 114.554 -0.150 0.000 3.035 735 T HA 0.143 4.494 4.350 0.002 0.000 0.268 735 T C 2.191 176.795 174.700 -0.160 0.000 1.109 735 T CA 0.552 62.563 62.100 -0.148 0.000 1.119 735 T CB -0.134 68.623 68.868 -0.184 0.000 0.900 735 T HN 0.225 nan 8.240 nan 0.000 0.503 736 L N -0.509 120.597 121.223 -0.196 0.000 2.477 736 L HA 0.232 4.573 4.340 0.002 0.000 0.220 736 L C 0.923 177.794 176.870 0.002 0.000 1.106 736 L CA -0.043 54.682 54.840 -0.190 0.000 0.851 736 L CB -0.189 41.684 42.059 -0.310 0.000 0.994 736 L HN 0.061 nan 8.230 nan 0.000 0.462 737 K N 1.024 121.408 120.400 -0.027 0.000 2.414 737 K HA -0.075 4.246 4.320 0.002 0.000 0.272 737 K C 0.891 177.508 176.600 0.029 0.000 0.993 737 K CA 0.262 56.552 56.287 0.005 0.000 0.964 737 K CB 1.022 33.513 32.500 -0.014 0.000 0.925 737 K HN 0.070 nan 8.250 nan 0.000 0.487 738 E N 0.843 121.061 120.200 0.029 0.000 2.112 738 E HA -0.062 4.289 4.350 0.002 0.000 0.190 738 E C 0.074 176.680 176.600 0.011 0.000 0.979 738 E CA 0.646 57.059 56.400 0.022 0.000 0.814 738 E CB 0.509 30.215 29.700 0.010 0.000 0.762 738 E HN 0.323 nan 8.360 nan 0.000 0.460 739 V N 0.000 119.918 119.914 0.006 0.000 2.409 739 V HA 0.000 4.121 4.120 0.002 0.000 0.244 739 V CA 0.000 62.302 62.300 0.003 0.000 1.235 739 V CB 0.000 31.824 31.823 0.002 0.000 1.184 739 V HN 0.000 nan 8.190 nan 0.000 0.556