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 3hyw_1_F DATA FIRST_RESID 2 DATA SEQUENCE AKHVVVIGGG VGGIATAYNL RNLMPDLKIT LISDRPYFGF TPAFPHLAMG DATA SEQUENCE WRKFEDISVP LAPLLPKFNI EFINEKAESI DPDANTVTTQ SGKKIEYDYL DATA SEQUENCE VIATGPKLVF GAEGQEENST SICTAEHALE TQKKLQELYA NPGPVVIGAI DATA SEQUENCE PGVSXFGPAY EFALMLHYEL KKRGIRYKVP MTFITSEPYL GHFGVGGIGA DATA SEQUENCE SKRLVEDLFA ERNIDWIANV AVKAIEPDKV IYEDLNGNTH EVPAKFTMFM DATA SEQUENCE PSFQGPEVVA SAGDKVANPA NKMVIVNRcF QNPTYKNIFG VGVVTAIPPI DATA SEQUENCE EKTPIPTGVP KTGMMIEQMA MAVAHNIVND IRNNPDKYAP RLSAIXIADF DATA SEQUENCE GEDAGFFFAD PVIPPRERVI TKMGKWAHYF KTAFEKYFLW KVRNGNIAPS DATA SEQUENCE FEEKVLEIFL KVHPIELcKD cEGAPGSRc 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.644 177.584 0.100 0.000 1.274 2 A CA 0.000 52.077 52.037 0.066 0.000 0.836 2 A CB 0.000 19.032 19.000 0.054 0.000 0.831 3 K N 1.344 121.825 120.400 0.135 0.000 2.138 3 K HA 0.319 4.639 4.320 -0.000 0.000 0.251 3 K C -0.360 176.398 176.600 0.263 0.000 1.015 3 K CA -0.125 56.285 56.287 0.204 0.000 0.917 3 K CB 0.533 33.190 32.500 0.262 0.000 1.021 3 K HN 0.855 nan 8.250 nan 0.000 0.485 4 H N 0.263 119.437 119.070 0.172 0.000 2.646 4 H HA 0.318 4.874 4.556 -0.000 0.000 0.328 4 H C -1.365 174.103 175.328 0.233 0.000 0.998 4 H CA -0.703 55.443 56.048 0.163 0.000 1.225 4 H CB 1.498 31.337 29.762 0.127 0.000 1.457 4 H HN 0.222 nan 8.280 nan 0.000 0.505 5 V N 6.591 126.539 119.914 0.058 0.000 2.435 5 V HA 0.383 4.503 4.120 -0.000 0.000 0.290 5 V C -1.025 174.946 176.094 -0.206 0.000 1.030 5 V CA -0.387 61.901 62.300 -0.020 0.000 0.881 5 V CB 1.423 33.279 31.823 0.056 0.000 0.983 5 V HN 0.507 nan 8.190 nan 0.000 0.445 6 V N 7.134 126.915 119.914 -0.222 0.000 2.394 6 V HA 0.469 4.589 4.120 -0.000 0.000 0.282 6 V C -0.137 175.899 176.094 -0.098 0.000 1.031 6 V CA -0.420 61.780 62.300 -0.166 0.000 0.881 6 V CB 1.725 33.467 31.823 -0.135 0.000 0.982 6 V HN 0.720 nan 8.190 nan 0.000 0.451 7 V N 6.686 126.582 119.914 -0.030 0.000 2.384 7 V HA 0.470 4.590 4.120 -0.000 0.000 0.287 7 V C -0.088 176.011 176.094 0.008 0.000 1.020 7 V CA -0.405 61.888 62.300 -0.011 0.000 0.850 7 V CB 1.632 33.462 31.823 0.011 0.000 0.987 7 V HN 0.668 nan 8.190 nan 0.000 0.436 8 I N 4.645 125.211 120.570 -0.006 0.000 2.304 8 I HA 0.724 4.894 4.170 -0.000 0.000 0.291 8 I C 0.720 176.851 176.117 0.022 0.000 1.018 8 I CA -0.052 61.252 61.300 0.007 0.000 1.260 8 I CB 1.156 39.150 38.000 -0.011 0.000 1.390 8 I HN 0.849 nan 8.210 nan 0.000 0.475 9 G N 3.616 112.444 108.800 0.046 0.000 3.326 9 G HA2 0.051 4.011 3.960 -0.000 0.000 0.681 9 G HA3 0.051 4.011 3.960 -0.000 0.000 0.681 9 G C -0.125 174.825 174.900 0.083 0.000 1.255 9 G CA -0.577 44.554 45.100 0.052 0.000 0.976 9 G HN 0.974 nan 8.290 nan 0.000 0.563 10 G N 0.659 109.527 108.800 0.114 0.000 4.084 10 G HA2 0.685 4.645 3.960 -0.000 0.000 0.293 10 G HA3 0.685 4.645 3.960 -0.000 0.000 0.293 10 G C 0.754 175.769 174.900 0.192 0.000 1.303 10 G CA 0.835 46.015 45.100 0.133 0.000 1.289 10 G HN 1.269 nan 8.290 nan 0.000 0.609 11 G N -0.652 108.254 108.800 0.178 0.000 3.119 11 G HA2 0.379 4.339 3.960 -0.000 0.000 0.206 11 G HA3 0.379 4.339 3.960 -0.000 0.000 0.206 11 G C 1.054 176.155 174.900 0.335 0.000 1.313 11 G CA 0.045 45.315 45.100 0.283 0.000 1.010 11 G HN 0.030 nan 8.290 nan 0.000 0.578 12 V N 1.031 121.144 119.914 0.331 0.000 2.255 12 V HA -0.102 4.018 4.120 -0.000 0.000 0.247 12 V C 3.101 179.261 176.094 0.109 0.000 1.051 12 V CA 2.748 65.215 62.300 0.278 0.000 1.018 12 V CB -1.168 30.743 31.823 0.146 0.000 0.641 12 V HN 0.787 nan 8.190 nan 0.000 0.445 13 G N -0.336 108.497 108.800 0.056 0.000 2.421 13 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.216 13 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.216 13 G C 1.618 176.507 174.900 -0.018 0.000 1.171 13 G CA 0.962 46.068 45.100 0.011 0.000 0.775 13 G HN 0.602 nan 8.290 nan 0.000 0.543 14 G N 1.053 109.850 108.800 -0.006 0.000 2.433 14 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.216 14 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.216 14 G C 1.690 176.527 174.900 -0.104 0.000 1.186 14 G CA 0.867 45.952 45.100 -0.026 0.000 0.779 14 G HN 0.298 nan 8.290 nan 0.000 0.543 15 I N 1.844 122.305 120.570 -0.182 0.000 2.226 15 I HA -0.143 4.027 4.170 -0.000 0.000 0.245 15 I C 3.287 179.063 176.117 -0.569 0.000 1.100 15 I CA 1.343 62.346 61.300 -0.495 0.000 1.374 15 I CB -1.223 36.367 38.000 -0.683 0.000 1.057 15 I HN 0.268 nan 8.210 nan 0.000 0.413 16 A N 0.569 123.197 122.820 -0.320 0.000 1.902 16 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 16 A C 2.414 179.912 177.584 -0.145 0.000 1.181 16 A CA 2.424 54.333 52.037 -0.213 0.000 0.623 16 A CB -1.013 17.948 19.000 -0.066 0.000 0.818 16 A HN 0.435 nan 8.150 nan 0.000 0.443 17 T N 0.250 114.732 114.554 -0.119 0.000 2.812 17 T HA 0.062 4.412 4.350 -0.000 0.000 0.264 17 T C 2.263 176.913 174.700 -0.084 0.000 1.042 17 T CA 1.406 63.446 62.100 -0.100 0.000 1.140 17 T CB -0.496 68.322 68.868 -0.084 0.000 0.870 17 T HN 0.586 nan 8.240 nan 0.000 0.445 18 A N 1.058 123.836 122.820 -0.070 0.000 1.883 18 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 18 A C 2.123 179.767 177.584 0.100 0.000 1.186 18 A CA 1.515 53.558 52.037 0.011 0.000 0.624 18 A CB -1.078 17.942 19.000 0.035 0.000 0.822 18 A HN 0.482 nan 8.150 nan 0.000 0.444 19 Y N 0.620 120.820 120.300 -0.166 0.000 2.242 19 Y HA -0.131 4.419 4.550 -0.000 0.000 0.291 19 Y C 2.495 178.267 175.900 -0.214 0.000 1.137 19 Y CA 0.810 58.768 58.100 -0.238 0.000 1.181 19 Y CB -0.844 37.412 38.460 -0.340 0.000 0.989 19 Y HN 0.339 nan 8.280 nan 0.000 0.527 20 N N 0.217 118.900 118.700 -0.028 0.000 2.084 20 N HA -0.140 4.600 4.740 -0.000 0.000 0.190 20 N C 2.063 177.481 175.510 -0.153 0.000 1.030 20 N CA 1.063 54.044 53.050 -0.114 0.000 0.849 20 N CB -0.670 37.737 38.487 -0.134 0.000 1.012 20 N HN 0.306 nan 8.380 nan 0.000 0.423 21 L N 0.718 121.862 121.223 -0.131 0.000 2.012 21 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 21 L C 2.585 179.397 176.870 -0.096 0.000 1.073 21 L CA 1.166 55.926 54.840 -0.133 0.000 0.748 21 L CB -0.345 41.651 42.059 -0.105 0.000 0.891 21 L HN 0.098 nan 8.230 nan 0.000 0.431 22 R N 0.878 121.342 120.500 -0.060 0.000 2.091 22 R HA -0.166 4.174 4.340 -0.000 0.000 0.238 22 R C 1.775 178.025 176.300 -0.084 0.000 1.136 22 R CA 2.093 58.161 56.100 -0.053 0.000 0.959 22 R CB -0.713 29.562 30.300 -0.042 0.000 0.856 22 R HN 0.447 nan 8.270 nan 0.000 0.437 23 N N -0.736 117.894 118.700 -0.116 0.000 2.331 23 N HA -0.068 4.672 4.740 -0.000 0.000 0.180 23 N C 0.929 176.377 175.510 -0.104 0.000 1.019 23 N CA 0.620 53.600 53.050 -0.118 0.000 0.881 23 N CB 0.013 38.416 38.487 -0.138 0.000 0.972 23 N HN 0.065 nan 8.380 nan 0.000 0.435 24 L N -0.050 121.095 121.223 -0.130 0.000 2.179 24 L HA 0.197 4.537 4.340 -0.000 0.000 0.208 24 L C 0.488 177.305 176.870 -0.088 0.000 1.096 24 L CA 1.252 56.009 54.840 -0.137 0.000 0.779 24 L CB -0.083 41.835 42.059 -0.235 0.000 0.922 24 L HN 0.195 nan 8.230 nan 0.000 0.443 25 M N -0.987 118.567 119.600 -0.075 0.000 2.060 25 M HA 0.248 4.728 4.480 -0.000 0.000 0.231 25 M C -2.007 174.277 176.300 -0.027 0.000 0.936 25 M CA -1.325 53.948 55.300 -0.045 0.000 0.981 25 M CB 1.593 34.164 32.600 -0.049 0.000 2.216 25 M HN -0.196 nan 8.290 nan 0.000 0.399 26 P HA -0.174 nan 4.420 nan 0.000 0.218 26 P C 0.545 177.847 177.300 0.004 0.000 1.148 26 P CA 1.459 64.553 63.100 -0.010 0.000 0.822 26 P CB -0.041 31.653 31.700 -0.010 0.000 0.784 27 D N -1.383 119.022 120.400 0.007 0.000 2.348 27 D HA -0.057 4.583 4.640 -0.000 0.000 0.216 27 D C 0.777 177.095 176.300 0.031 0.000 0.970 27 D CA 0.181 54.191 54.000 0.018 0.000 0.889 27 D CB -0.450 40.361 40.800 0.018 0.000 0.912 27 D HN 0.153 nan 8.370 nan 0.000 0.524 28 L N 1.222 122.464 121.223 0.032 0.000 2.397 28 L HA 0.183 4.523 4.340 -0.000 0.000 0.271 28 L C 0.161 177.079 176.870 0.079 0.000 1.148 28 L CA -0.362 54.512 54.840 0.055 0.000 0.825 28 L CB 0.887 42.965 42.059 0.032 0.000 1.117 28 L HN -0.236 nan 8.230 nan 0.000 0.456 29 K N 5.348 125.823 120.400 0.125 0.000 2.258 29 K HA 0.491 4.811 4.320 -0.000 0.000 0.284 29 K C -1.283 175.479 176.600 0.270 0.000 1.051 29 K CA -0.295 56.091 56.287 0.164 0.000 0.923 29 K CB 0.399 32.972 32.500 0.122 0.000 1.046 29 K HN 0.636 nan 8.250 nan 0.000 0.474 30 I N 3.238 123.938 120.570 0.216 0.000 2.466 30 I HA 0.200 4.370 4.170 -0.000 0.000 0.289 30 I C -0.631 175.616 176.117 0.217 0.000 1.026 30 I CA -0.659 60.757 61.300 0.193 0.000 1.078 30 I CB 2.368 40.440 38.000 0.119 0.000 1.249 30 I HN 0.507 nan 8.210 nan 0.000 0.429 31 T N 6.895 121.584 114.554 0.225 0.000 2.807 31 T HA 0.561 4.911 4.350 -0.000 0.000 0.279 31 T C -0.711 174.076 174.700 0.144 0.000 0.993 31 T CA -0.425 61.807 62.100 0.220 0.000 0.970 31 T CB 1.643 70.712 68.868 0.335 0.000 0.950 31 T HN 0.337 nan 8.240 nan 0.000 0.441 32 L N 4.666 125.996 121.223 0.178 0.000 2.325 32 L HA 0.665 5.005 4.340 -0.000 0.000 0.281 32 L C -1.232 175.740 176.870 0.169 0.000 1.004 32 L CA -0.832 54.121 54.840 0.188 0.000 0.823 32 L CB 0.698 42.907 42.059 0.251 0.000 1.236 32 L HN 0.631 nan 8.230 nan 0.000 0.415 33 I N 3.888 124.508 120.570 0.083 0.000 2.377 33 I HA 0.492 4.662 4.170 -0.000 0.000 0.293 33 I C -0.188 175.953 176.117 0.040 0.000 0.987 33 I CA -0.273 61.019 61.300 -0.014 0.000 1.185 33 I CB 1.836 39.823 38.000 -0.022 0.000 1.341 33 I HN 0.499 nan 8.210 nan 0.000 0.455 34 S N 3.037 118.735 115.700 -0.003 0.000 2.543 34 S HA 0.206 4.676 4.470 -0.000 0.000 0.271 34 S C 0.138 174.749 174.600 0.017 0.000 1.148 34 S CA -0.749 57.505 58.200 0.090 0.000 0.914 34 S CB 1.260 64.646 63.200 0.310 0.000 1.096 34 S HN 0.763 nan 8.310 nan 0.000 0.471 35 D N 2.978 123.382 120.400 0.006 0.000 2.312 35 D HA -0.017 4.623 4.640 -0.000 0.000 0.211 35 D C 0.454 176.753 176.300 -0.001 0.000 0.964 35 D CA 0.609 54.603 54.000 -0.010 0.000 0.877 35 D CB 0.047 40.837 40.800 -0.016 0.000 0.924 35 D HN 0.326 nan 8.370 nan 0.000 0.515 36 R N 0.799 121.290 120.500 -0.015 0.000 2.346 36 R HA 0.274 4.614 4.340 -0.000 0.000 0.311 36 R C -1.768 174.568 176.300 0.060 0.000 0.983 36 R CA -1.658 54.373 56.100 -0.114 0.000 0.880 36 R CB 1.663 31.693 30.300 -0.450 0.000 1.100 36 R HN -0.008 nan 8.270 nan 0.000 0.453 37 P HA -0.057 nan 4.420 nan 0.000 0.245 37 P C -1.023 176.427 177.300 0.249 0.000 1.212 37 P CA 0.779 64.085 63.100 0.344 0.000 0.774 37 P CB 0.112 32.008 31.700 0.326 0.000 0.999 38 Y N -2.482 117.924 120.300 0.178 0.000 2.545 38 Y HA 0.649 5.199 4.550 -0.000 0.000 0.348 38 Y C -0.872 175.124 175.900 0.160 0.000 1.002 38 Y CA -2.692 55.489 58.100 0.135 0.000 1.039 38 Y CB 0.438 39.010 38.460 0.185 0.000 1.271 38 Y HN -0.273 nan 8.280 nan 0.000 0.467 39 F N 2.524 122.580 119.950 0.177 0.000 2.438 39 F HA 0.728 5.254 4.527 -0.000 0.000 0.356 39 F C 0.278 176.320 175.800 0.404 0.000 1.099 39 F CA -0.541 57.560 58.000 0.169 0.000 1.185 39 F CB 0.806 39.854 39.000 0.079 0.000 1.115 39 F HN 0.839 nan 8.300 nan 0.000 0.526 40 G N 5.961 114.516 108.800 -0.407 0.000 2.335 40 G HA2 0.305 4.265 3.960 -0.000 0.000 0.316 40 G HA3 0.305 4.265 3.960 -0.000 0.000 0.316 40 G C -1.497 172.910 174.900 -0.822 0.000 1.129 40 G CA -0.598 44.430 45.100 -0.121 0.000 0.899 40 G HN 0.690 nan 8.290 nan 0.000 0.448 41 F N 3.845 123.456 119.950 -0.565 0.000 2.600 41 F HA 0.227 4.754 4.527 -0.000 0.000 0.345 41 F C 1.820 177.227 175.800 -0.655 0.000 1.271 41 F CA -0.269 57.470 58.000 -0.435 0.000 1.138 41 F CB 0.912 39.895 39.000 -0.028 0.000 1.449 41 F HN 0.457 nan 8.300 nan 0.000 0.645 42 T N 5.024 118.801 114.554 -1.295 0.000 2.759 42 T HA -0.077 4.273 4.350 -0.000 0.000 0.269 42 T C -0.580 173.475 174.700 -1.075 0.000 1.042 42 T CA 1.546 62.641 62.100 -1.674 0.000 1.140 42 T CB -0.607 67.683 68.868 -0.963 0.000 0.864 42 T HN 0.372 nan 8.240 nan 0.000 0.455 43 P HA 0.129 nan 4.420 nan 0.000 0.228 43 P C 0.694 177.928 177.300 -0.110 0.000 1.151 43 P CA 0.778 63.581 63.100 -0.494 0.000 0.770 43 P CB -0.172 31.193 31.700 -0.558 0.000 0.786 44 A N -2.344 120.414 122.820 -0.103 0.000 2.308 44 A HA 0.111 4.431 4.320 -0.000 0.000 0.217 44 A C 1.286 179.182 177.584 0.520 0.000 1.216 44 A CA -0.065 52.128 52.037 0.260 0.000 0.864 44 A CB -1.040 18.152 19.000 0.320 0.000 0.902 44 A HN -0.025 nan 8.150 nan 0.000 0.499 45 F N 0.838 120.911 119.950 0.204 0.000 2.186 45 F HA 0.008 4.535 4.527 -0.000 0.000 0.299 45 F C -0.488 175.434 175.800 0.204 0.000 1.090 45 F CA 0.626 58.736 58.000 0.183 0.000 1.307 45 F CB -2.007 37.060 39.000 0.112 0.000 1.019 45 F HN 0.193 nan 8.300 nan 0.000 0.489 46 P HA -0.141 nan 4.420 nan 0.000 0.215 46 P C 1.175 178.558 177.300 0.138 0.000 1.153 46 P CA 1.853 65.115 63.100 0.270 0.000 0.853 46 P CB -0.181 31.621 31.700 0.170 0.000 0.788 47 H N -1.450 117.740 119.070 0.201 0.000 2.387 47 H HA -0.068 4.488 4.556 -0.000 0.000 0.299 47 H C 1.830 177.262 175.328 0.173 0.000 1.090 47 H CA 0.836 56.996 56.048 0.187 0.000 1.332 47 H CB -1.251 28.729 29.762 0.364 0.000 1.386 47 H HN 0.014 nan 8.280 nan 0.000 0.516 48 L N 0.739 122.185 121.223 0.371 0.000 2.017 48 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 48 L C 2.377 179.350 176.870 0.172 0.000 1.073 48 L CA 1.782 56.785 54.840 0.272 0.000 0.745 48 L CB -0.925 41.299 42.059 0.275 0.000 0.894 48 L HN 0.272 nan 8.230 nan 0.000 0.432 49 A N -1.135 121.785 122.820 0.166 0.000 1.972 49 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 49 A C 2.096 179.753 177.584 0.121 0.000 1.169 49 A CA 1.909 54.043 52.037 0.163 0.000 0.635 49 A CB -0.529 18.601 19.000 0.217 0.000 0.810 49 A HN 0.480 nan 8.150 nan 0.000 0.446 50 M N -1.434 118.122 119.600 -0.074 0.000 2.619 50 M HA 0.107 4.587 4.480 -0.000 0.000 0.251 50 M C 1.514 177.680 176.300 -0.224 0.000 1.106 50 M CA 0.751 55.793 55.300 -0.430 0.000 1.086 50 M CB -1.155 30.573 32.600 -1.452 0.000 1.465 50 M HN 0.795 nan 8.290 nan 0.000 0.506 51 G N -0.813 108.009 108.800 0.037 0.000 2.147 51 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.244 51 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.244 51 G C 0.165 175.318 174.900 0.422 0.000 1.005 51 G CA 0.189 45.418 45.100 0.215 0.000 0.713 51 G HN 0.534 nan 8.290 nan 0.000 0.515 52 W N 0.113 121.534 121.300 0.202 0.000 3.278 52 W HA 0.482 5.142 4.660 -0.000 0.000 0.308 52 W C 1.015 177.655 176.519 0.201 0.000 1.253 52 W CA -0.549 56.917 57.345 0.202 0.000 1.759 52 W CB 0.016 29.620 29.460 0.240 0.000 1.093 52 W HN 0.121 nan 8.180 nan 0.000 0.648 53 R N 0.169 120.904 120.500 0.392 0.000 2.740 53 R HA 0.394 4.734 4.340 -0.000 0.000 0.273 53 R C -0.371 176.066 176.300 0.228 0.000 0.998 53 R CA -1.002 55.269 56.100 0.285 0.000 0.900 53 R CB 1.901 32.377 30.300 0.293 0.000 1.223 53 R HN -0.124 nan 8.270 nan 0.000 0.466 54 K N 1.018 121.526 120.400 0.179 0.000 2.130 54 K HA 0.234 4.554 4.320 -0.000 0.000 0.268 54 K C 0.929 177.629 176.600 0.167 0.000 0.983 54 K CA -0.343 56.041 56.287 0.163 0.000 0.893 54 K CB 1.143 33.715 32.500 0.121 0.000 1.066 54 K HN 0.431 nan 8.250 nan 0.000 0.450 55 F N 3.287 123.257 119.950 0.034 0.000 2.120 55 F HA -0.280 4.247 4.527 -0.000 0.000 0.300 55 F C 2.015 177.807 175.800 -0.013 0.000 1.095 55 F CA 2.020 60.012 58.000 -0.013 0.000 1.249 55 F CB 0.178 39.124 39.000 -0.090 0.000 0.995 55 F HN 0.724 nan 8.300 nan 0.000 0.480 56 E N -0.858 119.280 120.200 -0.104 0.000 2.265 56 E HA -0.228 4.122 4.350 -0.000 0.000 0.196 56 E C 1.100 177.613 176.600 -0.144 0.000 0.996 56 E CA 1.495 57.791 56.400 -0.173 0.000 0.832 56 E CB -0.516 29.178 29.700 -0.010 0.000 0.756 56 E HN 0.442 nan 8.360 nan 0.000 0.491 57 D N 1.000 121.358 120.400 -0.070 0.000 2.349 57 D HA 0.064 4.704 4.640 -0.000 0.000 0.215 57 D C 1.529 177.815 176.300 -0.022 0.000 1.016 57 D CA 0.536 54.522 54.000 -0.024 0.000 0.870 57 D CB 0.376 41.192 40.800 0.027 0.000 0.917 57 D HN 0.544 nan 8.370 nan 0.000 0.524 58 I N -2.351 118.187 120.570 -0.054 0.000 3.966 58 I HA 0.257 4.427 4.170 -0.000 0.000 0.324 58 I C -0.178 175.936 176.117 -0.004 0.000 1.517 58 I CA -0.473 60.856 61.300 0.048 0.000 1.117 58 I CB 0.544 38.666 38.000 0.203 0.000 1.190 58 I HN -0.244 nan 8.210 nan 0.000 0.466 59 S N 0.036 115.620 115.700 -0.194 0.000 2.588 59 S HA 0.846 5.316 4.470 -0.000 0.000 0.275 59 S C -0.809 173.766 174.600 -0.041 0.000 1.130 59 S CA -0.659 57.418 58.200 -0.205 0.000 0.855 59 S CB 2.582 65.250 63.200 -0.886 0.000 1.116 59 S HN 0.014 nan 8.310 nan 0.000 0.472 60 V N 2.026 122.033 119.914 0.154 0.000 2.488 60 V HA 0.461 4.581 4.120 -0.000 0.000 0.293 60 V C -2.798 173.392 176.094 0.160 0.000 1.027 60 V CA -1.846 60.541 62.300 0.145 0.000 0.862 60 V CB 1.510 33.442 31.823 0.181 0.000 1.008 60 V HN 0.792 nan 8.190 nan 0.000 0.428 61 P HA 0.210 nan 4.420 nan 0.000 0.263 61 P C 0.715 178.011 177.300 -0.007 0.000 1.195 61 P CA 0.237 63.396 63.100 0.099 0.000 0.762 61 P CB 0.771 32.520 31.700 0.083 0.000 0.799 62 L N 2.725 123.863 121.223 -0.142 0.000 2.249 62 L HA -0.021 4.319 4.340 -0.000 0.000 0.207 62 L C 2.320 178.960 176.870 -0.383 0.000 1.090 62 L CA 1.061 55.640 54.840 -0.435 0.000 0.802 62 L CB -0.715 40.704 42.059 -1.067 0.000 0.947 62 L HN 0.371 nan 8.230 nan 0.000 0.453 63 A N 1.342 124.079 122.820 -0.138 0.000 1.883 63 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 63 A C -0.157 177.457 177.584 0.049 0.000 1.186 63 A CA 1.792 53.918 52.037 0.148 0.000 0.624 63 A CB -1.840 17.314 19.000 0.258 0.000 0.822 63 A HN 0.313 nan 8.150 nan 0.000 0.444 64 P HA 0.045 nan 4.420 nan 0.000 0.236 64 P C 1.186 178.433 177.300 -0.089 0.000 1.177 64 P CA 0.360 63.444 63.100 -0.027 0.000 0.773 64 P CB 0.164 31.855 31.700 -0.015 0.000 0.878 65 L N -1.194 119.968 121.223 -0.102 0.000 2.265 65 L HA 0.138 4.478 4.340 -0.000 0.000 0.195 65 L C 2.117 178.852 176.870 -0.225 0.000 1.083 65 L CA 1.217 55.965 54.840 -0.154 0.000 0.798 65 L CB -1.093 40.937 42.059 -0.049 0.000 0.989 65 L HN -0.235 nan 8.230 nan 0.000 0.472 66 L N 0.251 121.426 121.223 -0.079 0.000 2.042 66 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 66 L C -0.324 176.515 176.870 -0.053 0.000 1.076 66 L CA 1.340 56.203 54.840 0.039 0.000 0.749 66 L CB -1.971 40.152 42.059 0.107 0.000 0.893 66 L HN 0.259 nan 8.230 nan 0.000 0.432 67 P HA -0.186 nan 4.420 nan 0.000 0.219 67 P C 1.231 178.400 177.300 -0.219 0.000 1.146 67 P CA 1.255 64.299 63.100 -0.093 0.000 0.808 67 P CB -0.056 31.608 31.700 -0.059 0.000 0.779 68 K N -1.290 118.842 120.400 -0.447 0.000 2.218 68 K HA -0.110 4.210 4.320 -0.000 0.000 0.205 68 K C 0.786 176.993 176.600 -0.654 0.000 1.046 68 K CA 1.237 57.129 56.287 -0.659 0.000 0.933 68 K CB -0.458 31.428 32.500 -1.023 0.000 0.728 68 K HN 0.326 nan 8.250 nan 0.000 0.454 69 F N 0.546 120.419 119.950 -0.128 0.000 2.708 69 F HA 0.255 4.782 4.527 -0.000 0.000 0.300 69 F C -0.150 175.596 175.800 -0.090 0.000 1.118 69 F CA -0.841 57.061 58.000 -0.163 0.000 1.307 69 F CB 0.058 38.876 39.000 -0.304 0.000 0.986 69 F HN -0.086 nan 8.300 nan 0.000 0.522 70 N N 1.689 120.403 118.700 0.023 0.000 2.740 70 N HA -0.205 4.535 4.740 -0.000 0.000 0.248 70 N C -0.731 174.824 175.510 0.076 0.000 1.062 70 N CA 0.723 53.793 53.050 0.034 0.000 0.704 70 N CB -1.591 36.913 38.487 0.029 0.000 0.968 70 N HN 0.420 nan 8.380 nan 0.000 0.547 71 I N 0.364 120.995 120.570 0.101 0.000 2.389 71 I HA 0.150 4.320 4.170 -0.000 0.000 0.288 71 I C 0.734 176.939 176.117 0.148 0.000 0.999 71 I CA -0.634 60.753 61.300 0.145 0.000 1.129 71 I CB 1.965 40.088 38.000 0.205 0.000 1.288 71 I HN 0.004 nan 8.210 nan 0.000 0.444 72 E N 6.522 126.813 120.200 0.152 0.000 2.290 72 E HA 0.147 4.497 4.350 -0.000 0.000 0.277 72 E C -1.443 175.296 176.600 0.232 0.000 1.035 72 E CA -0.310 56.183 56.400 0.155 0.000 0.873 72 E CB 0.834 30.603 29.700 0.115 0.000 1.029 72 E HN 0.464 nan 8.360 nan 0.000 0.419 73 F N 6.626 126.610 119.950 0.058 0.000 2.404 73 F HA 0.334 4.861 4.527 -0.000 0.000 0.354 73 F C -0.701 175.128 175.800 0.049 0.000 1.122 73 F CA -1.151 56.883 58.000 0.057 0.000 1.080 73 F CB 0.607 39.642 39.000 0.058 0.000 1.131 73 F HN 0.339 nan 8.300 nan 0.000 0.471 74 I N 5.754 126.012 120.570 -0.521 0.000 2.330 74 I HA 0.104 4.274 4.170 -0.000 0.000 0.286 74 I C -0.167 175.437 176.117 -0.855 0.000 1.025 74 I CA -0.567 60.431 61.300 -0.504 0.000 1.197 74 I CB 0.722 38.599 38.000 -0.205 0.000 1.358 74 I HN 0.568 nan 8.210 nan 0.000 0.467 75 N N 6.319 124.529 118.700 -0.816 0.000 3.245 75 N HA 0.152 4.892 4.740 -0.000 0.000 0.296 75 N C -0.432 174.937 175.510 -0.235 0.000 1.254 75 N CA 0.238 52.945 53.050 -0.572 0.000 1.190 75 N CB 0.182 38.513 38.487 -0.259 0.000 1.460 75 N HN 0.551 nan 8.380 nan 0.000 0.538 76 E N -0.118 119.960 120.200 -0.205 0.000 2.408 76 E HA 0.218 4.568 4.350 -0.000 0.000 0.275 76 E C -1.020 175.537 176.600 -0.072 0.000 0.935 76 E CA -0.977 55.361 56.400 -0.103 0.000 0.775 76 E CB 1.992 31.641 29.700 -0.086 0.000 1.277 76 E HN 0.135 nan 8.360 nan 0.000 0.455 77 K N 1.138 121.513 120.400 -0.042 0.000 2.276 77 K HA 0.413 4.733 4.320 -0.000 0.000 0.283 77 K C -0.788 175.798 176.600 -0.022 0.000 1.044 77 K CA -0.249 56.022 56.287 -0.026 0.000 0.944 77 K CB 0.843 33.333 32.500 -0.017 0.000 1.012 77 K HN 0.566 nan 8.250 nan 0.000 0.472 78 A N 4.391 127.202 122.820 -0.016 0.000 2.451 78 A HA 0.073 4.393 4.320 -0.000 0.000 0.266 78 A C 0.605 178.186 177.584 -0.005 0.000 1.119 78 A CA -0.081 51.952 52.037 -0.008 0.000 0.786 78 A CB 0.266 19.263 19.000 -0.004 0.000 1.061 78 A HN 1.019 nan 8.150 nan 0.000 0.503 79 E N 1.049 121.247 120.200 -0.003 0.000 2.166 79 E HA 0.025 4.375 4.350 -0.000 0.000 0.192 79 E C 0.431 177.032 176.600 0.001 0.000 0.967 79 E CA 1.105 57.504 56.400 -0.001 0.000 0.840 79 E CB 0.223 29.921 29.700 -0.002 0.000 0.795 79 E HN 0.839 nan 8.360 nan 0.000 0.470 80 S N -0.479 115.223 115.700 0.003 0.000 2.579 80 S HA 0.594 5.064 4.470 -0.000 0.000 0.272 80 S C -0.792 173.814 174.600 0.010 0.000 1.141 80 S CA -0.937 57.265 58.200 0.003 0.000 0.843 80 S CB 1.650 64.850 63.200 0.001 0.000 1.122 80 S HN 0.060 nan 8.310 nan 0.000 0.468 81 I N 1.478 122.050 120.570 0.005 0.000 2.466 81 I HA 0.392 4.562 4.170 -0.000 0.000 0.289 81 I C -1.312 174.797 176.117 -0.012 0.000 1.026 81 I CA -0.417 60.893 61.300 0.017 0.000 1.078 81 I CB 2.028 40.031 38.000 0.005 0.000 1.249 81 I HN 0.669 nan 8.210 nan 0.000 0.429 82 D N 8.788 129.183 120.400 -0.008 0.000 2.473 82 D HA 0.269 4.909 4.640 -0.000 0.000 0.226 82 D C -1.744 174.492 176.300 -0.107 0.000 1.089 82 D CA -2.133 51.832 54.000 -0.059 0.000 0.883 82 D CB 1.789 42.559 40.800 -0.050 0.000 1.029 82 D HN 0.202 nan 8.370 nan 0.000 0.517 83 P HA -0.027 nan 4.420 nan 0.000 0.225 83 P C 0.572 177.664 177.300 -0.348 0.000 1.156 83 P CA 0.588 63.416 63.100 -0.453 0.000 0.787 83 P CB 0.790 31.777 31.700 -1.189 0.000 0.802 84 D N 0.233 120.529 120.400 -0.174 0.000 2.194 84 D HA 0.010 4.650 4.640 -0.000 0.000 0.204 84 D C 1.834 178.108 176.300 -0.043 0.000 0.964 84 D CA 0.987 54.994 54.000 0.011 0.000 0.846 84 D CB -0.135 40.702 40.800 0.062 0.000 0.962 84 D HN 0.160 nan 8.370 nan 0.000 0.490 85 A N 0.615 123.378 122.820 -0.095 0.000 2.238 85 A HA -0.010 4.310 4.320 -0.000 0.000 0.210 85 A C 0.408 177.851 177.584 -0.234 0.000 1.179 85 A CA -0.043 51.922 52.037 -0.121 0.000 0.827 85 A CB -0.047 18.897 19.000 -0.092 0.000 0.856 85 A HN 0.040 nan 8.150 nan 0.000 0.488 86 N N 0.397 118.888 118.700 -0.348 0.000 2.727 86 N HA -0.113 4.627 4.740 -0.000 0.000 0.251 86 N C -0.706 174.211 175.510 -0.988 0.000 1.040 86 N CA 1.588 54.101 53.050 -0.894 0.000 0.712 86 N CB -1.685 36.322 38.487 -0.800 0.000 0.912 86 N HN 0.457 nan 8.380 nan 0.000 0.545 87 T N -0.730 113.582 114.554 -0.403 0.000 2.900 87 T HA 0.623 4.973 4.350 -0.000 0.000 0.295 87 T C 0.052 174.823 174.700 0.118 0.000 1.044 87 T CA -0.539 61.493 62.100 -0.112 0.000 0.995 87 T CB 2.772 71.591 68.868 -0.082 0.000 1.072 87 T HN -0.084 nan 8.240 nan 0.000 0.473 88 V N 2.365 122.375 119.914 0.159 0.000 2.555 88 V HA 0.626 4.746 4.120 -0.000 0.000 0.302 88 V C -0.058 176.071 176.094 0.059 0.000 1.038 88 V CA -0.733 61.637 62.300 0.117 0.000 0.887 88 V CB 2.007 33.902 31.823 0.119 0.000 0.991 88 V HN 1.016 nan 8.190 nan 0.000 0.434 89 T N 2.683 117.257 114.554 0.033 0.000 2.786 89 T HA 0.476 4.826 4.350 -0.000 0.000 0.283 89 T C 0.270 174.976 174.700 0.009 0.000 0.992 89 T CA -0.454 61.656 62.100 0.017 0.000 0.954 89 T CB 1.370 70.243 68.868 0.008 0.000 0.934 89 T HN 0.952 nan 8.240 nan 0.000 0.440 90 T N 0.773 115.329 114.554 0.003 0.000 2.754 90 T HA 0.198 4.548 4.350 -0.000 0.000 0.286 90 T C 1.342 176.037 174.700 -0.009 0.000 0.997 90 T CA -0.555 61.541 62.100 -0.008 0.000 0.982 90 T CB 0.839 69.696 68.868 -0.018 0.000 1.027 90 T HN 0.569 nan 8.240 nan 0.000 0.529 91 Q N -0.005 119.787 119.800 -0.013 0.000 2.224 91 Q HA -0.106 4.234 4.340 -0.000 0.000 0.203 91 Q C 2.161 178.155 176.000 -0.010 0.000 0.970 91 Q CA 1.521 57.318 55.803 -0.010 0.000 0.865 91 Q CB -0.288 28.443 28.738 -0.012 0.000 0.922 91 Q HN 0.902 nan 8.270 nan 0.000 0.445 92 S N -2.170 113.522 115.700 -0.013 0.000 2.527 92 S HA 0.166 4.636 4.470 -0.000 0.000 0.222 92 S C 1.290 175.885 174.600 -0.008 0.000 0.985 92 S CA 0.552 58.745 58.200 -0.011 0.000 0.921 92 S CB 0.660 63.852 63.200 -0.014 0.000 0.772 92 S HN 0.566 nan 8.310 nan 0.000 0.529 93 G N 0.758 109.554 108.800 -0.007 0.000 2.179 93 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.220 93 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.220 93 G C -0.130 174.768 174.900 -0.002 0.000 0.990 93 G CA -0.247 44.851 45.100 -0.004 0.000 0.646 93 G HN 0.532 nan 8.290 nan 0.000 0.517 94 K N 1.150 121.548 120.400 -0.003 0.000 2.412 94 K HA 0.292 4.612 4.320 -0.000 0.000 0.284 94 K C 0.375 176.980 176.600 0.008 0.000 1.046 94 K CA 0.323 56.611 56.287 0.001 0.000 0.999 94 K CB 0.491 32.989 32.500 -0.003 0.000 0.941 94 K HN 0.169 nan 8.250 nan 0.000 0.474 95 K N 3.792 124.199 120.400 0.010 0.000 2.248 95 K HA 0.302 4.622 4.320 -0.000 0.000 0.281 95 K C -0.406 176.213 176.600 0.033 0.000 1.054 95 K CA -0.274 56.023 56.287 0.016 0.000 0.903 95 K CB 0.748 33.250 32.500 0.005 0.000 1.077 95 K HN 0.413 nan 8.250 nan 0.000 0.474 96 I N 3.197 123.801 120.570 0.056 0.000 2.389 96 I HA 0.152 4.322 4.170 -0.000 0.000 0.288 96 I C 0.167 176.354 176.117 0.117 0.000 0.999 96 I CA -0.583 60.779 61.300 0.103 0.000 1.129 96 I CB 1.571 39.648 38.000 0.127 0.000 1.288 96 I HN 0.442 nan 8.210 nan 0.000 0.444 97 E N 5.989 126.256 120.200 0.112 0.000 2.313 97 E HA 0.347 4.697 4.350 -0.000 0.000 0.272 97 E C -1.439 175.259 176.600 0.162 0.000 1.038 97 E CA -0.414 56.011 56.400 0.041 0.000 0.863 97 E CB 1.620 31.328 29.700 0.013 0.000 1.060 97 E HN 0.495 nan 8.360 nan 0.000 0.402 98 Y N -0.980 119.340 120.300 0.033 0.000 2.576 98 Y HA 0.394 4.944 4.550 -0.000 0.000 0.346 98 Y C 0.042 175.925 175.900 -0.027 0.000 1.018 98 Y CA -0.993 57.080 58.100 -0.045 0.000 1.050 98 Y CB 1.175 39.564 38.460 -0.118 0.000 1.280 98 Y HN 0.271 nan 8.280 nan 0.000 0.474 99 D N 0.496 121.020 120.400 0.207 0.000 2.262 99 D HA 0.041 4.681 4.640 -0.000 0.000 0.212 99 D C -0.691 175.529 176.300 -0.134 0.000 0.964 99 D CA 1.382 55.393 54.000 0.018 0.000 0.875 99 D CB 0.301 41.141 40.800 0.066 0.000 0.996 99 D HN 0.504 nan 8.370 nan 0.000 0.497 100 Y N -0.262 120.220 120.300 0.304 0.000 2.512 100 Y HA 0.459 5.009 4.550 -0.000 0.000 0.348 100 Y C -0.635 175.196 175.900 -0.115 0.000 0.990 100 Y CA -1.189 57.029 58.100 0.196 0.000 1.033 100 Y CB 2.128 40.681 38.460 0.154 0.000 1.259 100 Y HN -0.271 nan 8.280 nan 0.000 0.461 101 L N 2.846 123.972 121.223 -0.160 0.000 2.356 101 L HA 0.779 5.119 4.340 -0.000 0.000 0.277 101 L C -1.535 175.304 176.870 -0.051 0.000 0.996 101 L CA -0.719 53.853 54.840 -0.446 0.000 0.822 101 L CB 1.675 43.104 42.059 -1.049 0.000 1.256 101 L HN 0.454 nan 8.230 nan 0.000 0.413 102 V N 6.781 126.666 119.914 -0.047 0.000 2.334 102 V HA 0.426 4.546 4.120 -0.000 0.000 0.281 102 V C 0.123 176.218 176.094 0.001 0.000 1.016 102 V CA -0.401 61.921 62.300 0.036 0.000 0.832 102 V CB 1.245 33.076 31.823 0.012 0.000 0.999 102 V HN 0.583 nan 8.190 nan 0.000 0.439 103 I N 4.376 124.963 120.570 0.029 0.000 2.312 103 I HA 0.578 4.748 4.170 -0.000 0.000 0.291 103 I C 0.651 176.791 176.117 0.037 0.000 1.031 103 I CA 0.028 61.337 61.300 0.015 0.000 1.293 103 I CB 1.303 39.310 38.000 0.012 0.000 1.403 103 I HN 0.677 nan 8.210 nan 0.000 0.484 104 A N 3.586 126.419 122.820 0.022 0.000 3.234 104 A HA 0.245 4.565 4.320 -0.000 0.000 0.247 104 A C 0.856 178.446 177.584 0.009 0.000 0.938 104 A CA -0.352 51.699 52.037 0.023 0.000 1.039 104 A CB -0.329 18.684 19.000 0.021 0.000 1.197 104 A HN 0.731 nan 8.150 nan 0.000 0.498 105 T N -2.842 111.712 114.554 -0.001 0.000 3.148 105 T HA 0.433 4.783 4.350 -0.000 0.000 0.253 105 T C 1.331 176.005 174.700 -0.044 0.000 1.134 105 T CA 1.001 63.092 62.100 -0.015 0.000 1.051 105 T CB -0.267 68.592 68.868 -0.016 0.000 0.959 105 T HN 2.077 nan 8.240 nan 0.000 0.525 106 G N 2.567 111.333 108.800 -0.056 0.000 2.645 106 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.246 106 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.246 106 G C -2.744 172.037 174.900 -0.198 0.000 1.322 106 G CA -0.488 44.538 45.100 -0.122 0.000 0.898 106 G HN 0.533 nan 8.290 nan 0.000 0.573 107 P HA 0.352 nan 4.420 nan 0.000 0.276 107 P C -0.730 176.390 177.300 -0.301 0.000 1.230 107 P CA -0.082 62.671 63.100 -0.578 0.000 0.776 107 P CB 1.248 32.021 31.700 -1.545 0.000 0.888 108 K N 4.054 124.360 120.400 -0.158 0.000 2.253 108 K HA 0.325 4.645 4.320 -0.000 0.000 0.277 108 K C -0.371 176.211 176.600 -0.031 0.000 1.053 108 K CA -0.577 55.672 56.287 -0.064 0.000 0.892 108 K CB -0.011 32.479 32.500 -0.016 0.000 1.102 108 K HN 0.409 nan 8.250 nan 0.000 0.469 109 L N 4.593 125.789 121.223 -0.045 0.000 2.360 109 L HA 0.268 4.608 4.340 -0.000 0.000 0.276 109 L C -0.516 176.226 176.870 -0.215 0.000 1.121 109 L CA -0.899 53.862 54.840 -0.131 0.000 0.845 109 L CB 1.164 43.076 42.059 -0.246 0.000 1.143 109 L HN 0.337 nan 8.230 nan 0.000 0.452 110 V N 4.069 123.827 119.914 -0.261 0.000 2.378 110 V HA 0.265 4.385 4.120 -0.000 0.000 0.288 110 V C -0.286 175.618 176.094 -0.317 0.000 1.016 110 V CA -0.317 61.876 62.300 -0.179 0.000 0.840 110 V CB 1.167 32.953 31.823 -0.063 0.000 0.994 110 V HN 0.415 nan 8.190 nan 0.000 0.431 111 F N 3.391 123.332 119.950 -0.016 0.000 2.541 111 F HA 0.365 4.892 4.527 -0.000 0.000 0.351 111 F C 1.677 177.443 175.800 -0.056 0.000 1.209 111 F CA -0.326 57.645 58.000 -0.048 0.000 1.277 111 F CB 0.500 39.462 39.000 -0.064 0.000 1.632 111 F HN 0.609 nan 8.300 nan 0.000 0.619 112 G N 1.286 110.102 108.800 0.027 0.000 2.471 112 G HA2 0.028 3.988 3.960 -0.000 0.000 0.219 112 G HA3 0.028 3.988 3.960 -0.000 0.000 0.219 112 G C 0.874 175.765 174.900 -0.016 0.000 1.125 112 G CA 0.406 45.505 45.100 -0.002 0.000 0.775 112 G HN 0.600 nan 8.290 nan 0.000 0.548 113 A N 0.501 123.300 122.820 -0.034 0.000 2.401 113 A HA 0.448 4.767 4.320 -0.000 0.000 0.259 113 A C 0.381 177.930 177.584 -0.058 0.000 1.103 113 A CA -0.408 51.582 52.037 -0.077 0.000 0.789 113 A CB 0.394 19.294 19.000 -0.167 0.000 1.035 113 A HN 0.207 nan 8.150 nan 0.000 0.491 114 E N 0.938 121.100 120.200 -0.063 0.000 2.498 114 E HA 0.199 4.549 4.350 -0.000 0.000 0.252 114 E C 1.265 177.823 176.600 -0.069 0.000 1.025 114 E CA 1.590 57.957 56.400 -0.055 0.000 0.938 114 E CB 0.310 29.978 29.700 -0.052 0.000 0.947 114 E HN 1.348 nan 8.360 nan 0.000 0.478 115 G N 3.804 112.566 108.800 -0.063 0.000 2.148 115 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.254 115 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.254 115 G C 0.901 175.740 174.900 -0.103 0.000 0.981 115 G CA 0.796 45.848 45.100 -0.080 0.000 0.670 115 G HN 0.599 nan 8.290 nan 0.000 0.528 116 Q N -0.114 119.632 119.800 -0.090 0.000 2.020 116 Q HA -0.077 4.263 4.340 -0.000 0.000 0.202 116 Q C 2.227 178.119 176.000 -0.180 0.000 0.982 116 Q CA 1.768 57.517 55.803 -0.090 0.000 0.838 116 Q CB -0.205 28.537 28.738 0.007 0.000 0.899 116 Q HN 0.715 nan 8.270 nan 0.000 0.423 117 E N -0.420 119.605 120.200 -0.291 0.000 2.160 117 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 117 E C 1.482 177.840 176.600 -0.405 0.000 0.991 117 E CA 1.524 57.525 56.400 -0.666 0.000 0.810 117 E CB 0.214 29.502 29.700 -0.687 0.000 0.742 117 E HN 0.392 nan 8.360 nan 0.000 0.466 118 E N -0.283 119.773 120.200 -0.239 0.000 2.140 118 E HA -0.001 4.349 4.350 -0.000 0.000 0.191 118 E C 1.438 177.953 176.600 -0.142 0.000 0.973 118 E CA 0.679 56.979 56.400 -0.166 0.000 0.829 118 E CB 0.220 29.850 29.700 -0.117 0.000 0.781 118 E HN 0.162 nan 8.360 nan 0.000 0.466 119 N N -0.662 117.954 118.700 -0.140 0.000 2.348 119 N HA 0.089 4.829 4.740 -0.000 0.000 0.183 119 N C 0.459 175.884 175.510 -0.142 0.000 1.094 119 N CA 0.202 53.181 53.050 -0.119 0.000 0.885 119 N CB 0.636 39.064 38.487 -0.097 0.000 1.065 119 N HN -0.048 nan 8.380 nan 0.000 0.472 120 S N -0.154 115.450 115.700 -0.161 0.000 2.719 120 S HA 0.544 5.014 4.470 -0.000 0.000 0.285 120 S C 0.030 174.497 174.600 -0.222 0.000 1.137 120 S CA -0.472 57.624 58.200 -0.174 0.000 1.012 120 S CB 0.855 64.011 63.200 -0.073 0.000 1.134 120 S HN 0.315 nan 8.310 nan 0.000 0.544 121 T N -0.400 113.993 114.554 -0.269 0.000 2.942 121 T HA 0.804 5.154 4.350 -0.000 0.000 0.289 121 T C -0.538 174.053 174.700 -0.182 0.000 1.044 121 T CA -0.611 61.348 62.100 -0.236 0.000 1.023 121 T CB 1.267 69.983 68.868 -0.254 0.000 1.123 121 T HN 0.841 nan 8.240 nan 0.000 0.512 122 S N -0.005 115.602 115.700 -0.156 0.000 2.618 122 S HA 0.634 5.103 4.470 -0.000 0.000 0.277 122 S C 0.138 174.695 174.600 -0.073 0.000 1.138 122 S CA -0.855 57.280 58.200 -0.108 0.000 0.844 122 S CB 1.176 64.371 63.200 -0.008 0.000 1.127 122 S HN 1.305 nan 8.310 nan 0.000 0.474 123 I N -2.776 117.773 120.570 -0.036 0.000 4.160 123 I HA 0.398 4.568 4.170 -0.000 0.000 0.325 123 I C 0.950 177.181 176.117 0.189 0.000 1.455 123 I CA -0.398 60.922 61.300 0.034 0.000 1.142 123 I CB -0.053 37.915 38.000 -0.053 0.000 1.262 123 I HN 0.577 nan 8.210 nan 0.000 0.483 124 C N 1.761 121.183 119.300 0.203 0.000 2.468 124 C HA 0.140 4.600 4.460 -0.000 0.000 0.277 124 C C 1.620 176.828 174.990 0.363 0.000 1.400 124 C CA 1.507 60.690 59.018 0.274 0.000 1.770 124 C CB -0.838 27.025 27.740 0.205 0.000 1.905 124 C HN 0.735 nan 8.230 nan 0.000 0.519 125 T N -3.213 111.489 114.554 0.246 0.000 2.924 125 T HA 0.632 4.982 4.350 -0.000 0.000 0.291 125 T C 0.882 175.313 174.700 -0.449 0.000 1.045 125 T CA 0.068 62.189 62.100 0.036 0.000 1.015 125 T CB 1.666 70.553 68.868 0.031 0.000 1.103 125 T HN 0.115 nan 8.240 nan 0.000 0.496 126 A N 1.121 123.430 122.820 -0.852 0.000 1.908 126 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 126 A C 2.047 179.395 177.584 -0.392 0.000 1.181 126 A CA 1.968 53.527 52.037 -0.797 0.000 0.627 126 A CB -1.116 17.650 19.000 -0.390 0.000 0.818 126 A HN 0.936 nan 8.150 nan 0.000 0.445 127 E N -0.524 119.493 120.200 -0.304 0.000 2.058 127 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 127 E C 2.034 178.513 176.600 -0.202 0.000 0.997 127 E CA 1.579 57.815 56.400 -0.275 0.000 0.801 127 E CB -0.405 29.119 29.700 -0.294 0.000 0.746 127 E HN 0.706 nan 8.360 nan 0.000 0.450 128 H N -0.275 118.735 119.070 -0.101 0.000 2.387 128 H HA 0.058 4.614 4.556 -0.000 0.000 0.299 128 H C 1.996 177.280 175.328 -0.072 0.000 1.090 128 H CA 1.372 57.383 56.048 -0.061 0.000 1.332 128 H CB -0.475 29.290 29.762 0.005 0.000 1.386 128 H HN 0.233 nan 8.280 nan 0.000 0.516 129 A N 0.899 123.724 122.820 0.009 0.000 1.933 129 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 129 A C 2.682 180.272 177.584 0.010 0.000 1.175 129 A CA 1.074 53.109 52.037 -0.004 0.000 0.628 129 A CB -0.838 18.132 19.000 -0.050 0.000 0.814 129 A HN 0.292 nan 8.150 nan 0.000 0.444 130 L N -0.744 120.456 121.223 -0.039 0.000 2.093 130 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 130 L C 2.533 179.405 176.870 0.003 0.000 1.085 130 L CA 1.450 56.275 54.840 -0.025 0.000 0.755 130 L CB -0.465 41.541 42.059 -0.089 0.000 0.904 130 L HN 0.460 nan 8.230 nan 0.000 0.435 131 E N -0.628 119.575 120.200 0.005 0.000 2.106 131 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 131 E C 2.082 178.714 176.600 0.054 0.000 0.984 131 E CA 1.637 58.052 56.400 0.024 0.000 0.806 131 E CB -0.085 29.635 29.700 0.033 0.000 0.750 131 E HN 0.458 nan 8.360 nan 0.000 0.458 132 T N 1.079 115.676 114.554 0.071 0.000 2.746 132 T HA -0.224 4.126 4.350 -0.000 0.000 0.267 132 T C 1.863 176.667 174.700 0.173 0.000 1.039 132 T CA 1.555 63.738 62.100 0.139 0.000 1.142 132 T CB -0.208 68.719 68.868 0.099 0.000 0.866 132 T HN 0.076 nan 8.240 nan 0.000 0.444 133 Q N 1.640 121.510 119.800 0.116 0.000 2.096 133 Q HA -0.094 4.246 4.340 -0.000 0.000 0.204 133 Q C 2.017 178.049 176.000 0.053 0.000 0.982 133 Q CA 1.713 57.570 55.803 0.090 0.000 0.850 133 Q CB -0.281 28.512 28.738 0.091 0.000 0.901 133 Q HN 0.462 nan 8.270 nan 0.000 0.422 134 K N -0.011 120.421 120.400 0.053 0.000 2.063 134 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 134 K C 2.156 178.772 176.600 0.027 0.000 1.048 134 K CA 1.632 57.940 56.287 0.035 0.000 0.928 134 K CB -0.106 32.411 32.500 0.029 0.000 0.713 134 K HN 0.189 nan 8.250 nan 0.000 0.442 135 K N 0.765 121.210 120.400 0.076 0.000 2.155 135 K HA -0.021 4.299 4.320 -0.000 0.000 0.203 135 K C 2.128 178.743 176.600 0.025 0.000 1.052 135 K CA 0.700 57.065 56.287 0.129 0.000 0.948 135 K CB -0.034 32.623 32.500 0.261 0.000 0.728 135 K HN 0.100 nan 8.250 nan 0.000 0.448 136 L N 0.821 121.968 121.223 -0.128 0.000 2.083 136 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 136 L C 2.567 178.896 176.870 -0.902 0.000 1.083 136 L CA 1.109 55.566 54.840 -0.637 0.000 0.752 136 L CB -0.232 41.526 42.059 -0.502 0.000 0.899 136 L HN 0.165 nan 8.230 nan 0.000 0.433 137 Q N 0.237 119.801 119.800 -0.394 0.000 2.170 137 Q HA -0.211 4.129 4.340 -0.000 0.000 0.203 137 Q C 1.966 177.886 176.000 -0.134 0.000 0.976 137 Q CA 1.516 57.216 55.803 -0.173 0.000 0.858 137 Q CB 0.041 28.789 28.738 0.017 0.000 0.907 137 Q HN 0.443 nan 8.270 nan 0.000 0.433 138 E N -0.627 119.498 120.200 -0.125 0.000 2.072 138 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 138 E C 1.813 178.360 176.600 -0.089 0.000 0.985 138 E CA 0.990 57.354 56.400 -0.060 0.000 0.801 138 E CB -0.158 29.534 29.700 -0.013 0.000 0.750 138 E HN 0.262 nan 8.360 nan 0.000 0.452 139 L N 0.390 121.487 121.223 -0.210 0.000 2.046 139 L HA -0.205 4.134 4.340 -0.000 0.000 0.208 139 L C 1.938 178.742 176.870 -0.110 0.000 1.077 139 L CA 1.674 56.389 54.840 -0.208 0.000 0.747 139 L CB -0.403 41.413 42.059 -0.405 0.000 0.896 139 L HN 0.097 nan 8.230 nan 0.000 0.432 140 Y N -0.276 119.990 120.300 -0.058 0.000 2.242 140 Y HA -0.028 4.522 4.550 -0.000 0.000 0.291 140 Y C 2.570 178.454 175.900 -0.027 0.000 1.137 140 Y CA 0.642 58.713 58.100 -0.048 0.000 1.181 140 Y CB -1.544 36.893 38.460 -0.038 0.000 0.989 140 Y HN 0.289 nan 8.280 nan 0.000 0.527 141 A N -0.215 122.674 122.820 0.115 0.000 1.897 141 A HA -0.057 4.263 4.320 -0.000 0.000 0.215 141 A C 0.882 178.489 177.584 0.037 0.000 1.181 141 A CA 1.104 53.181 52.037 0.067 0.000 0.620 141 A CB -0.274 18.756 19.000 0.049 0.000 0.821 141 A HN 0.310 nan 8.150 nan 0.000 0.443 142 N N 0.568 119.281 118.700 0.022 0.000 2.804 142 N HA 0.308 5.048 4.740 -0.000 0.000 0.251 142 N C -3.203 172.310 175.510 0.005 0.000 1.250 142 N CA -1.108 51.948 53.050 0.011 0.000 0.820 142 N CB 1.162 39.655 38.487 0.010 0.000 1.156 142 N HN 0.100 nan 8.380 nan 0.000 0.512 143 P HA 0.241 nan 4.420 nan 0.000 0.268 143 P C 0.316 177.609 177.300 -0.010 0.000 1.205 143 P CA 0.107 63.202 63.100 -0.009 0.000 0.771 143 P CB 1.031 32.710 31.700 -0.035 0.000 0.858 144 G N 2.314 111.118 108.800 0.007 0.000 2.606 144 G HA2 0.516 4.476 3.960 -0.000 0.000 0.300 144 G HA3 0.516 4.476 3.960 -0.000 0.000 0.300 144 G C -3.243 171.684 174.900 0.044 0.000 1.360 144 G CA -1.121 43.991 45.100 0.020 0.000 0.783 144 G HN 0.227 nan 8.290 nan 0.000 0.484 145 P HA 0.348 nan 4.420 nan 0.000 0.268 145 P C -0.521 176.853 177.300 0.123 0.000 1.204 145 P CA -0.025 63.120 63.100 0.075 0.000 0.768 145 P CB 1.556 33.297 31.700 0.068 0.000 0.842 146 V N 4.579 124.575 119.914 0.137 0.000 2.459 146 V HA 0.324 4.444 4.120 -0.000 0.000 0.295 146 V C 0.163 176.362 176.094 0.175 0.000 1.029 146 V CA -0.609 61.820 62.300 0.215 0.000 0.874 146 V CB 2.189 34.139 31.823 0.212 0.000 0.985 146 V HN 0.268 nan 8.190 nan 0.000 0.438 147 V N 6.693 126.719 119.914 0.186 0.000 2.531 147 V HA 0.587 4.707 4.120 -0.000 0.000 0.301 147 V C -0.419 175.663 176.094 -0.020 0.000 1.034 147 V CA -0.371 62.005 62.300 0.127 0.000 0.865 147 V CB 1.781 33.730 31.823 0.210 0.000 0.995 147 V HN 0.688 nan 8.190 nan 0.000 0.424 148 I N 2.965 123.398 120.570 -0.228 0.000 2.785 148 I HA 0.965 5.135 4.170 -0.000 0.000 0.302 148 I C 0.664 176.075 176.117 -1.177 0.000 1.069 148 I CA -0.141 60.824 61.300 -0.559 0.000 1.045 148 I CB 2.433 40.427 38.000 -0.010 0.000 1.236 148 I HN 0.857 nan 8.210 nan 0.000 0.429 149 G N 2.900 110.775 108.800 -1.541 0.000 2.491 149 G HA2 0.551 4.511 3.960 -0.000 0.000 0.183 149 G HA3 0.551 4.511 3.960 -0.000 0.000 0.183 149 G C -2.091 172.395 174.900 -0.689 0.000 1.221 149 G CA 0.117 44.384 45.100 -1.388 0.000 0.996 149 G HN 0.917 nan 8.290 nan 0.000 0.474 150 A N -0.234 122.470 122.820 -0.194 0.000 2.398 150 A HA 0.791 5.111 4.320 -0.000 0.000 0.301 150 A C 0.002 177.695 177.584 0.181 0.000 1.041 150 A CA -0.125 51.946 52.037 0.056 0.000 0.711 150 A CB 0.781 19.840 19.000 0.098 0.000 1.240 150 A HN 1.909 nan 8.150 nan 0.000 0.420 151 I N -0.267 120.368 120.570 0.109 0.000 3.156 151 I HA 0.582 4.752 4.170 -0.000 0.000 0.306 151 I C -2.505 173.611 176.117 -0.002 0.000 1.048 151 I CA -2.464 58.846 61.300 0.016 0.000 1.207 151 I CB 0.398 38.367 38.000 -0.053 0.000 1.456 151 I HN 0.252 nan 8.210 nan 0.000 0.616 152 P HA 0.129 nan 4.420 nan 0.000 0.267 152 P C 0.586 177.863 177.300 -0.039 0.000 1.200 152 P CA 1.032 64.129 63.100 -0.005 0.000 0.772 152 P CB 0.679 32.374 31.700 -0.007 0.000 0.855 153 G N 0.616 109.401 108.800 -0.025 0.000 2.179 153 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.260 153 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.260 153 G C 0.241 175.052 174.900 -0.148 0.000 0.977 153 G CA -0.062 45.003 45.100 -0.059 0.000 0.641 153 G HN 0.545 nan 8.290 nan 0.000 0.533 154 V N 1.730 121.518 119.914 -0.211 0.000 2.872 154 V HA 0.473 4.593 4.120 -0.000 0.000 0.307 154 V C 1.093 176.856 176.094 -0.552 0.000 1.072 154 V CA 0.950 62.934 62.300 -0.527 0.000 1.148 154 V CB 1.374 32.781 31.823 -0.693 0.000 0.954 154 V HN 1.159 nan 8.190 nan 0.000 0.490 158 G N 2.510 111.571 108.800 0.435 0.000 2.574 158 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.220 158 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.220 158 G C -0.843 174.265 174.900 0.346 0.000 1.173 158 G CA 1.926 47.185 45.100 0.266 0.000 0.772 158 G HN 0.249 nan 8.290 nan 0.000 0.585 159 P HA -0.024 nan 4.420 nan 0.000 0.218 159 P C 2.062 179.542 177.300 0.301 0.000 1.148 159 P CA 1.888 65.129 63.100 0.235 0.000 0.822 159 P CB -0.144 31.650 31.700 0.156 0.000 0.784 160 A N -1.786 121.220 122.820 0.310 0.000 1.897 160 A HA -0.179 4.141 4.320 -0.000 0.000 0.215 160 A C 1.977 179.859 177.584 0.496 0.000 1.181 160 A CA 1.206 53.440 52.037 0.327 0.000 0.620 160 A CB -1.748 17.362 19.000 0.184 0.000 0.821 160 A HN 0.108 nan 8.150 nan 0.000 0.443 161 Y N 0.445 121.046 120.300 0.502 0.000 2.145 161 Y HA -0.182 4.368 4.550 -0.000 0.000 0.286 161 Y C 2.525 178.648 175.900 0.372 0.000 1.145 161 Y CA 1.778 60.076 58.100 0.331 0.000 1.148 161 Y CB -0.352 38.276 38.460 0.280 0.000 0.981 161 Y HN 0.406 nan 8.280 nan 0.000 0.507 162 E N -0.652 119.878 120.200 0.550 0.000 2.038 162 E HA -0.262 4.088 4.350 -0.000 0.000 0.195 162 E C 2.037 178.839 176.600 0.336 0.000 1.000 162 E CA 1.592 58.263 56.400 0.452 0.000 0.803 162 E CB -0.538 29.347 29.700 0.308 0.000 0.750 162 E HN 0.452 nan 8.360 nan 0.000 0.448 163 F N 1.414 121.472 119.950 0.179 0.000 2.095 163 F HA -0.234 4.293 4.527 -0.000 0.000 0.298 163 F C 2.300 178.174 175.800 0.123 0.000 1.104 163 F CA 1.498 59.557 58.000 0.099 0.000 1.232 163 F CB -0.235 38.823 39.000 0.097 0.000 0.987 163 F HN -0.038 nan 8.300 nan 0.000 0.475 164 A N 0.502 123.477 122.820 0.259 0.000 1.873 164 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 164 A C 2.090 179.688 177.584 0.022 0.000 1.193 164 A CA 1.886 53.993 52.037 0.117 0.000 0.629 164 A CB -1.132 17.967 19.000 0.164 0.000 0.826 164 A HN 0.398 nan 8.150 nan 0.000 0.447 165 L N -0.979 120.302 121.223 0.098 0.000 2.056 165 L HA -0.080 4.260 4.340 -0.000 0.000 0.207 165 L C 2.701 179.704 176.870 0.221 0.000 1.078 165 L CA 1.798 56.708 54.840 0.117 0.000 0.749 165 L CB -1.361 40.731 42.059 0.054 0.000 0.901 165 L HN 0.450 nan 8.230 nan 0.000 0.433 166 M N -1.306 118.390 119.600 0.159 0.000 2.117 166 M HA -0.244 4.236 4.480 -0.000 0.000 0.262 166 M C 2.172 178.513 176.300 0.069 0.000 1.065 166 M CA 1.447 56.838 55.300 0.152 0.000 1.114 166 M CB -0.451 32.030 32.600 -0.197 0.000 1.361 166 M HN 0.184 nan 8.290 nan 0.000 0.408 167 L N -0.232 120.861 121.223 -0.216 0.000 2.017 167 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 167 L C 2.442 179.308 176.870 -0.006 0.000 1.073 167 L CA 2.213 56.915 54.840 -0.230 0.000 0.745 167 L CB -1.007 40.774 42.059 -0.464 0.000 0.894 167 L HN 0.323 nan 8.230 nan 0.000 0.432 168 H N -1.772 117.281 119.070 -0.028 0.000 2.319 168 H HA -0.328 4.228 4.556 -0.000 0.000 0.297 168 H C 2.124 177.502 175.328 0.083 0.000 1.097 168 H CA 2.582 58.640 56.048 0.016 0.000 1.285 168 H CB -0.590 29.171 29.762 -0.002 0.000 1.368 168 H HN 0.537 nan 8.280 nan 0.000 0.495 169 Y N 0.896 121.198 120.300 0.003 0.000 2.128 169 Y HA -0.228 4.322 4.550 -0.000 0.000 0.284 169 Y C 2.601 178.493 175.900 -0.014 0.000 1.154 169 Y CA 2.186 60.286 58.100 0.000 0.000 1.149 169 Y CB -0.382 38.183 38.460 0.175 0.000 0.976 169 Y HN 0.386 nan 8.280 nan 0.000 0.505 170 E N 0.410 120.691 120.200 0.134 0.000 2.077 170 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 170 E C 2.031 178.511 176.600 -0.198 0.000 0.989 170 E CA 1.915 58.325 56.400 0.016 0.000 0.800 170 E CB -0.597 29.221 29.700 0.196 0.000 0.746 170 E HN 0.624 nan 8.360 nan 0.000 0.452 171 L N 0.123 121.251 121.223 -0.158 0.000 2.083 171 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 171 L C 2.515 179.269 176.870 -0.193 0.000 1.083 171 L CA 1.349 56.097 54.840 -0.154 0.000 0.752 171 L CB -0.317 41.698 42.059 -0.074 0.000 0.899 171 L HN 0.079 nan 8.230 nan 0.000 0.433 172 K N 0.040 120.266 120.400 -0.290 0.000 2.103 172 K HA -0.187 4.133 4.320 -0.000 0.000 0.204 172 K C 2.173 178.614 176.600 -0.264 0.000 1.052 172 K CA 1.031 57.151 56.287 -0.277 0.000 0.945 172 K CB -0.007 32.275 32.500 -0.363 0.000 0.722 172 K HN 0.126 nan 8.250 nan 0.000 0.443 173 K N 1.017 121.198 120.400 -0.364 0.000 2.147 173 K HA -0.121 4.199 4.320 -0.000 0.000 0.205 173 K C 1.772 178.239 176.600 -0.221 0.000 1.049 173 K CA 1.268 57.351 56.287 -0.339 0.000 0.936 173 K CB 0.151 32.382 32.500 -0.448 0.000 0.722 173 K HN 0.021 nan 8.250 nan 0.000 0.446 174 R N -1.026 119.345 120.500 -0.215 0.000 2.297 174 R HA 0.070 4.410 4.340 -0.000 0.000 0.197 174 R C 0.843 177.089 176.300 -0.090 0.000 0.943 174 R CA 0.557 56.558 56.100 -0.165 0.000 1.038 174 R CB 0.373 30.535 30.300 -0.230 0.000 0.957 174 R HN 0.371 nan 8.270 nan 0.000 0.484 175 G N 2.264 111.015 108.800 -0.082 0.000 2.249 175 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.273 175 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.273 175 G C 0.522 175.489 174.900 0.112 0.000 1.036 175 G CA 0.706 45.800 45.100 -0.011 0.000 0.824 175 G HN 0.557 nan 8.290 nan 0.000 0.504 176 I N -3.760 116.852 120.570 0.070 0.000 4.050 176 I HA 0.493 4.663 4.170 -0.000 0.000 0.327 176 I C 1.866 178.009 176.117 0.043 0.000 1.473 176 I CA -0.086 61.263 61.300 0.081 0.000 1.124 176 I CB 0.340 38.343 38.000 0.006 0.000 1.129 176 I HN 0.015 nan 8.210 nan 0.000 0.428 177 R N 2.495 123.038 120.500 0.072 0.000 2.105 177 R HA -0.231 4.109 4.340 -0.000 0.000 0.239 177 R C 2.083 178.447 176.300 0.107 0.000 1.135 177 R CA 2.489 58.620 56.100 0.050 0.000 0.967 177 R CB -1.080 29.212 30.300 -0.012 0.000 0.861 177 R HN 0.767 nan 8.270 nan 0.000 0.442 178 Y N -1.147 119.151 120.300 -0.004 0.000 2.639 178 Y HA 0.121 4.671 4.550 -0.000 0.000 0.297 178 Y C 0.886 176.794 175.900 0.014 0.000 1.151 178 Y CA 0.622 58.728 58.100 0.010 0.000 1.335 178 Y CB -0.001 38.461 38.460 0.004 0.000 0.994 178 Y HN -0.054 nan 8.280 nan 0.000 0.548 179 K N 0.474 120.619 120.400 -0.425 0.000 2.358 179 K HA 0.269 4.589 4.320 -0.000 0.000 0.197 179 K C -0.641 175.873 176.600 -0.144 0.000 1.025 179 K CA 0.040 56.096 56.287 -0.385 0.000 1.104 179 K CB 1.177 33.415 32.500 -0.438 0.000 0.855 179 K HN 0.093 nan 8.250 nan 0.000 0.531 180 V N 3.434 123.308 119.914 -0.066 0.000 2.340 180 V HA 0.220 4.340 4.120 -0.000 0.000 0.277 180 V C -2.609 173.499 176.094 0.024 0.000 1.017 180 V CA -2.205 60.090 62.300 -0.008 0.000 0.820 180 V CB 0.970 32.798 31.823 0.009 0.000 1.028 180 V HN -0.028 nan 8.190 nan 0.000 0.436 181 P HA 0.263 nan 4.420 nan 0.000 0.268 181 P C -0.481 176.852 177.300 0.054 0.000 1.204 181 P CA 0.314 63.438 63.100 0.040 0.000 0.768 181 P CB 0.418 32.141 31.700 0.038 0.000 0.842 182 M N 2.184 121.813 119.600 0.048 0.000 2.259 182 M HA 0.341 4.821 4.480 -0.000 0.000 0.304 182 M C -0.621 175.702 176.300 0.040 0.000 1.019 182 M CA -0.142 55.187 55.300 0.047 0.000 0.922 182 M CB 2.205 34.818 32.600 0.022 0.000 1.600 182 M HN 0.165 nan 8.290 nan 0.000 0.433 183 T N 2.541 117.138 114.554 0.071 0.000 2.861 183 T HA 0.552 4.902 4.350 -0.000 0.000 0.287 183 T C -1.427 173.354 174.700 0.135 0.000 1.003 183 T CA -0.449 61.709 62.100 0.097 0.000 0.977 183 T CB 1.463 70.382 68.868 0.086 0.000 0.996 183 T HN 0.423 nan 8.240 nan 0.000 0.448 184 F N 3.868 123.844 119.950 0.042 0.000 2.411 184 F HA 0.682 5.209 4.527 -0.000 0.000 0.352 184 F C -0.907 174.955 175.800 0.102 0.000 1.123 184 F CA -1.103 56.926 58.000 0.048 0.000 1.044 184 F CB 0.497 39.597 39.000 0.167 0.000 1.135 184 F HN 0.428 nan 8.300 nan 0.000 0.461 185 I N 5.342 125.699 120.570 -0.355 0.000 2.406 185 I HA 0.389 4.559 4.170 -0.000 0.000 0.290 185 I C -0.315 175.654 176.117 -0.246 0.000 0.999 185 I CA -0.520 60.682 61.300 -0.163 0.000 1.124 185 I CB 2.120 40.095 38.000 -0.042 0.000 1.289 185 I HN 0.516 nan 8.210 nan 0.000 0.441 186 T N 2.064 116.577 114.554 -0.069 0.000 2.909 186 T HA 0.244 4.594 4.350 -0.000 0.000 0.299 186 T C 0.794 175.516 174.700 0.038 0.000 1.073 186 T CA -0.443 61.656 62.100 -0.001 0.000 0.999 186 T CB 1.582 70.501 68.868 0.084 0.000 1.098 186 T HN 0.667 nan 8.240 nan 0.000 0.477 187 S N 2.003 117.758 115.700 0.092 0.000 2.522 187 S HA 0.124 4.594 4.470 -0.000 0.000 0.227 187 S C 0.544 175.088 174.600 -0.093 0.000 0.986 187 S CA 0.009 58.236 58.200 0.044 0.000 0.929 187 S CB -0.437 62.826 63.200 0.105 0.000 0.769 187 S HN 0.796 nan 8.310 nan 0.000 0.529 188 E N 3.021 123.078 120.200 -0.239 0.000 2.442 188 E HA 0.030 4.380 4.350 -0.000 0.000 0.262 188 E C -1.550 174.784 176.600 -0.444 0.000 1.004 188 E CA -1.299 54.756 56.400 -0.576 0.000 0.928 188 E CB 0.403 29.687 29.700 -0.694 0.000 0.937 188 E HN 0.217 nan 8.360 nan 0.000 0.446 189 P HA -0.128 nan 4.420 nan 0.000 0.226 189 P C -0.708 176.540 177.300 -0.086 0.000 1.153 189 P CA 1.410 64.340 63.100 -0.283 0.000 0.777 189 P CB -0.042 31.507 31.700 -0.252 0.000 0.794 190 Y N -4.354 115.841 120.300 -0.176 0.000 2.656 190 Y HA 0.543 5.093 4.550 -0.000 0.000 0.334 190 Y C -0.787 174.942 175.900 -0.285 0.000 1.179 190 Y CA -2.292 55.704 58.100 -0.173 0.000 1.050 190 Y CB -0.233 38.138 38.460 -0.149 0.000 1.308 190 Y HN -0.423 nan 8.280 nan 0.000 0.456 191 L N 2.716 123.793 121.223 -0.242 0.000 2.490 191 L HA 0.435 4.775 4.340 -0.000 0.000 0.274 191 L C 1.331 177.900 176.870 -0.502 0.000 1.201 191 L CA 1.619 56.207 54.840 -0.420 0.000 0.869 191 L CB 0.191 41.782 42.059 -0.780 0.000 1.123 191 L HN 1.158 nan 8.230 nan 0.000 0.484 192 G N 1.195 109.423 108.800 -0.953 0.000 2.160 192 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.251 192 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.251 192 G C 1.214 175.272 174.900 -1.404 0.000 1.008 192 G CA 0.601 44.710 45.100 -1.652 0.000 0.724 192 G HN 0.860 nan 8.290 nan 0.000 0.514 193 H N -0.240 118.117 119.070 -1.187 0.000 2.343 193 H HA 0.012 4.568 4.556 -0.000 0.000 0.303 193 H C 2.077 177.003 175.328 -0.670 0.000 1.068 193 H CA 1.927 57.403 56.048 -0.954 0.000 1.359 193 H CB -0.108 28.899 29.762 -1.259 0.000 1.402 193 H HN 0.807 nan 8.280 nan 0.000 0.515 194 F N -0.965 118.770 119.950 -0.358 0.000 2.973 194 F HA -0.215 4.312 4.527 -0.000 0.000 0.299 194 F C 1.546 177.361 175.800 0.025 0.000 0.737 194 F CA 1.464 59.351 58.000 -0.189 0.000 1.151 194 F CB -2.018 36.852 39.000 -0.217 0.000 1.440 194 F HN 0.451 nan 8.300 nan 0.000 0.367 195 G N -0.790 108.115 108.800 0.175 0.000 2.160 195 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.251 195 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.251 195 G C 0.480 175.427 174.900 0.077 0.000 1.008 195 G CA 0.466 45.740 45.100 0.290 0.000 0.724 195 G HN 1.184 nan 8.290 nan 0.000 0.514 196 V N -0.769 119.024 119.914 -0.202 0.000 3.372 196 V HA 0.548 4.668 4.120 -0.000 0.000 0.304 196 V C 1.694 177.583 176.094 -0.343 0.000 1.530 196 V CA 1.639 63.830 62.300 -0.181 0.000 1.080 196 V CB 0.029 31.812 31.823 -0.066 0.000 0.929 196 V HN 2.131 nan 8.190 nan 0.000 0.455 197 G N 0.639 108.936 108.800 -0.839 0.000 2.176 197 G HA2 0.095 4.055 3.960 -0.000 0.000 0.252 197 G HA3 0.095 4.055 3.960 -0.000 0.000 0.252 197 G C 1.117 175.846 174.900 -0.285 0.000 1.024 197 G CA 0.497 45.245 45.100 -0.586 0.000 0.755 197 G HN 2.105 nan 8.290 nan 0.000 0.507 198 G N -1.494 107.080 108.800 -0.376 0.000 2.758 198 G HA2 0.122 4.082 3.960 -0.000 0.000 0.686 198 G HA3 0.122 4.082 3.960 -0.000 0.000 0.686 198 G C -0.395 174.466 174.900 -0.065 0.000 1.389 198 G CA -0.210 44.804 45.100 -0.143 0.000 0.845 198 G HN 1.355 nan 8.290 nan 0.000 0.572 199 I N 2.572 123.148 120.570 0.010 0.000 2.439 199 I HA 0.553 4.723 4.170 -0.000 0.000 0.283 199 I C 1.214 177.403 176.117 0.120 0.000 1.023 199 I CA 0.312 61.649 61.300 0.062 0.000 1.100 199 I CB 0.940 38.997 38.000 0.095 0.000 1.238 199 I HN 1.940 nan 8.210 nan 0.000 0.445 200 G N 4.888 113.730 108.800 0.071 0.000 2.614 200 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.303 200 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.303 200 G C 0.539 175.468 174.900 0.049 0.000 1.270 200 G CA 0.288 45.430 45.100 0.070 0.000 0.988 200 G HN 0.981 nan 8.290 nan 0.000 0.551 201 A N 0.231 123.085 122.820 0.058 0.000 3.105 201 A HA 0.606 4.926 4.320 -0.000 0.000 0.272 201 A C 1.982 179.591 177.584 0.042 0.000 1.466 201 A CA 1.383 53.432 52.037 0.019 0.000 1.101 201 A CB -0.708 18.299 19.000 0.013 0.000 1.065 201 A HN 2.002 nan 8.150 nan 0.000 0.643 202 S N 0.115 115.859 115.700 0.074 0.000 2.402 202 S HA -0.203 4.267 4.470 -0.000 0.000 0.229 202 S C 1.872 176.413 174.600 -0.098 0.000 1.021 202 S CA 1.298 59.564 58.200 0.109 0.000 0.974 202 S CB -0.261 63.017 63.200 0.130 0.000 0.800 202 S HN 0.670 nan 8.310 nan 0.000 0.484 203 K N 1.496 121.806 120.400 -0.151 0.000 1.991 203 K HA -0.139 4.181 4.320 -0.000 0.000 0.212 203 K C 2.604 179.075 176.600 -0.215 0.000 1.049 203 K CA 1.372 57.529 56.287 -0.217 0.000 0.932 203 K CB -0.294 32.037 32.500 -0.281 0.000 0.717 203 K HN 0.351 nan 8.250 nan 0.000 0.441 204 R N 0.772 121.186 120.500 -0.143 0.000 2.083 204 R HA -0.146 4.193 4.340 -0.000 0.000 0.237 204 R C 2.571 178.822 176.300 -0.083 0.000 1.137 204 R CA 1.605 57.647 56.100 -0.097 0.000 0.951 204 R CB -0.414 29.852 30.300 -0.057 0.000 0.851 204 R HN 0.329 nan 8.270 nan 0.000 0.434 205 L N 0.381 121.575 121.223 -0.048 0.000 1.990 205 L HA -0.235 4.105 4.340 -0.000 0.000 0.213 205 L C 2.140 178.958 176.870 -0.087 0.000 1.072 205 L CA 1.611 56.444 54.840 -0.012 0.000 0.755 205 L CB -0.231 41.879 42.059 0.085 0.000 0.889 205 L HN 0.081 nan 8.230 nan 0.000 0.432 206 V N -0.312 119.481 119.914 -0.201 0.000 2.358 206 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 206 V C 2.356 178.133 176.094 -0.528 0.000 1.047 206 V CA 1.963 63.998 62.300 -0.442 0.000 1.035 206 V CB -0.629 30.774 31.823 -0.699 0.000 0.658 206 V HN 0.477 nan 8.190 nan 0.000 0.452 207 E N 0.150 120.086 120.200 -0.440 0.000 2.070 207 E HA -0.278 4.072 4.350 -0.000 0.000 0.197 207 E C 2.027 178.599 176.600 -0.046 0.000 1.004 207 E CA 1.726 57.955 56.400 -0.285 0.000 0.805 207 E CB -0.223 29.367 29.700 -0.183 0.000 0.744 207 E HN 0.587 nan 8.360 nan 0.000 0.451 208 D N 0.430 120.804 120.400 -0.044 0.000 2.104 208 D HA -0.152 4.488 4.640 -0.000 0.000 0.194 208 D C 1.977 178.295 176.300 0.031 0.000 0.994 208 D CA 0.667 54.676 54.000 0.015 0.000 0.830 208 D CB -0.252 40.553 40.800 0.007 0.000 0.959 208 D HN 0.046 nan 8.370 nan 0.000 0.452 209 L N 0.081 121.298 121.223 -0.010 0.000 2.046 209 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 209 L C 2.082 179.030 176.870 0.130 0.000 1.077 209 L CA 1.395 56.238 54.840 0.005 0.000 0.747 209 L CB -0.572 41.431 42.059 -0.094 0.000 0.896 209 L HN -0.092 nan 8.230 nan 0.000 0.432 210 F N -0.302 119.577 119.950 -0.118 0.000 2.186 210 F HA -0.084 4.443 4.527 -0.000 0.000 0.299 210 F C 2.510 178.325 175.800 0.025 0.000 1.090 210 F CA 0.705 58.672 58.000 -0.057 0.000 1.307 210 F CB -1.542 37.461 39.000 0.003 0.000 1.019 210 F HN 0.184 nan 8.300 nan 0.000 0.489 211 A N -0.107 122.867 122.820 0.257 0.000 1.877 211 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 211 A C 2.143 179.781 177.584 0.091 0.000 1.186 211 A CA 1.775 53.916 52.037 0.175 0.000 0.620 211 A CB -0.874 18.222 19.000 0.160 0.000 0.822 211 A HN 0.367 nan 8.150 nan 0.000 0.443 212 E N -0.772 119.468 120.200 0.066 0.000 2.153 212 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 212 E C 1.804 178.404 176.600 0.001 0.000 0.988 212 E CA 1.067 57.490 56.400 0.037 0.000 0.811 212 E CB -0.049 29.672 29.700 0.036 0.000 0.746 212 E HN 0.522 nan 8.360 nan 0.000 0.466 213 R N 0.063 120.519 120.500 -0.074 0.000 2.432 213 R HA 0.117 4.457 4.340 -0.000 0.000 0.260 213 R C 0.090 176.252 176.300 -0.230 0.000 0.935 213 R CA -0.017 55.914 56.100 -0.281 0.000 1.080 213 R CB 0.223 30.137 30.300 -0.643 0.000 1.155 213 R HN 0.023 nan 8.270 nan 0.000 0.531 214 N N 1.306 119.968 118.700 -0.063 0.000 2.727 214 N HA -0.194 4.546 4.740 -0.000 0.000 0.249 214 N C -1.137 174.342 175.510 -0.052 0.000 1.048 214 N CA 0.507 53.551 53.050 -0.010 0.000 0.714 214 N CB -1.031 37.479 38.487 0.038 0.000 0.959 214 N HN 0.288 nan 8.380 nan 0.000 0.544 215 I N 0.658 121.147 120.570 -0.134 0.000 2.297 215 I HA 0.161 4.331 4.170 -0.000 0.000 0.291 215 I C 0.377 176.501 176.117 0.012 0.000 1.033 215 I CA -0.717 60.446 61.300 -0.229 0.000 1.253 215 I CB 0.592 38.116 38.000 -0.793 0.000 1.396 215 I HN 0.092 nan 8.210 nan 0.000 0.476 216 D N 7.296 127.726 120.400 0.051 0.000 2.362 216 D HA 0.220 4.860 4.640 -0.000 0.000 0.242 216 D C -0.640 175.818 176.300 0.263 0.000 1.132 216 D CA 0.347 54.399 54.000 0.086 0.000 0.907 216 D CB 1.013 41.818 40.800 0.009 0.000 1.195 216 D HN 0.478 nan 8.370 nan 0.000 0.429 217 W N 0.280 121.670 121.300 0.149 0.000 3.217 217 W HA 0.618 5.278 4.660 -0.000 0.000 0.323 217 W C -1.791 174.792 176.519 0.106 0.000 1.216 217 W CA -1.023 56.453 57.345 0.218 0.000 1.194 217 W CB 0.305 30.007 29.460 0.405 0.000 1.397 217 W HN 0.105 nan 8.180 nan 0.000 0.537 218 I N 2.742 123.514 120.570 0.337 0.000 2.468 218 I HA 0.568 4.737 4.170 -0.000 0.000 0.285 218 I C 0.073 176.330 176.117 0.232 0.000 1.039 218 I CA -0.629 60.743 61.300 0.121 0.000 1.074 218 I CB 1.570 39.440 38.000 -0.216 0.000 1.228 218 I HN 0.577 nan 8.210 nan 0.000 0.436 219 A N 4.017 127.040 122.820 0.338 0.000 2.288 219 A HA 0.680 5.000 4.320 -0.000 0.000 0.328 219 A C 0.591 178.244 177.584 0.115 0.000 1.123 219 A CA -0.451 51.720 52.037 0.224 0.000 0.861 219 A CB 0.777 19.935 19.000 0.263 0.000 1.272 219 A HN 0.796 nan 8.150 nan 0.000 0.490 220 N N -2.193 116.533 118.700 0.042 0.000 2.747 220 N HA -0.163 4.577 4.740 -0.000 0.000 0.249 220 N C -0.385 175.156 175.510 0.052 0.000 1.107 220 N CA 1.209 54.273 53.050 0.024 0.000 0.707 220 N CB -1.611 36.905 38.487 0.049 0.000 1.054 220 N HN 1.598 nan 8.380 nan 0.000 0.555 221 V N -3.931 116.013 119.914 0.050 0.000 3.074 221 V HA 0.985 5.105 4.120 -0.000 0.000 0.314 221 V C 0.069 176.214 176.094 0.085 0.000 1.117 221 V CA -0.623 61.737 62.300 0.099 0.000 1.014 221 V CB 2.158 34.055 31.823 0.123 0.000 1.057 221 V HN 0.284 nan 8.190 nan 0.000 0.438 222 A N 2.325 125.218 122.820 0.122 0.000 2.256 222 A HA 0.729 5.049 4.320 -0.000 0.000 0.317 222 A C -0.295 177.347 177.584 0.097 0.000 1.318 222 A CA -0.573 51.511 52.037 0.080 0.000 0.894 222 A CB 0.650 19.681 19.000 0.052 0.000 1.165 222 A HN 1.225 nan 8.150 nan 0.000 0.525 223 V N 4.313 124.250 119.914 0.039 0.000 2.479 223 V HA 0.050 4.170 4.120 -0.000 0.000 0.281 223 V C 0.990 177.042 176.094 -0.070 0.000 1.031 223 V CA 0.644 62.925 62.300 -0.032 0.000 1.038 223 V CB 0.652 32.340 31.823 -0.224 0.000 0.981 223 V HN 1.027 nan 8.190 nan 0.000 0.478 224 K N 3.381 123.749 120.400 -0.054 0.000 2.365 224 K HA 0.508 4.828 4.320 -0.000 0.000 0.195 224 K C 0.389 176.938 176.600 -0.086 0.000 1.079 224 K CA 0.649 56.901 56.287 -0.060 0.000 0.979 224 K CB 1.008 33.483 32.500 -0.042 0.000 0.929 224 K HN 0.708 nan 8.250 nan 0.000 0.523 225 A N 1.365 124.119 122.820 -0.111 0.000 2.547 225 A HA 0.543 4.863 4.320 -0.000 0.000 0.297 225 A C -1.493 175.999 177.584 -0.154 0.000 1.056 225 A CA -0.732 51.236 52.037 -0.115 0.000 0.688 225 A CB 1.297 20.249 19.000 -0.081 0.000 1.282 225 A HN 0.020 nan 8.150 nan 0.000 0.400 226 I N 2.369 122.845 120.570 -0.157 0.000 2.382 226 I HA 0.343 4.513 4.170 -0.000 0.000 0.285 226 I C 0.116 176.174 176.117 -0.099 0.000 1.007 226 I CA -0.065 61.142 61.300 -0.154 0.000 1.142 226 I CB 0.804 38.686 38.000 -0.196 0.000 1.289 226 I HN 0.758 nan 8.210 nan 0.000 0.453 227 E N 7.028 127.184 120.200 -0.072 0.000 2.254 227 E HA 0.347 4.697 4.350 -0.000 0.000 0.261 227 E C -1.703 174.870 176.600 -0.045 0.000 1.051 227 E CA -1.621 54.747 56.400 -0.054 0.000 0.902 227 E CB 1.089 30.764 29.700 -0.041 0.000 1.168 227 E HN 0.256 nan 8.360 nan 0.000 0.423 228 P HA -0.146 nan 4.420 nan 0.000 0.222 228 P C 0.269 177.561 177.300 -0.014 0.000 1.147 228 P CA 1.303 64.385 63.100 -0.030 0.000 0.790 228 P CB 0.162 31.846 31.700 -0.026 0.000 0.780 229 D N -2.115 118.279 120.400 -0.009 0.000 2.520 229 D HA 0.056 4.696 4.640 -0.000 0.000 0.223 229 D C 0.372 176.681 176.300 0.014 0.000 1.186 229 D CA 0.069 54.072 54.000 0.006 0.000 0.821 229 D CB 0.280 41.082 40.800 0.003 0.000 1.072 229 D HN 0.226 nan 8.370 nan 0.000 0.518 230 K N -0.939 119.466 120.400 0.008 0.000 2.615 230 K HA 0.561 4.881 4.320 -0.000 0.000 0.291 230 K C -1.847 174.760 176.600 0.011 0.000 1.017 230 K CA -0.929 55.370 56.287 0.021 0.000 0.882 230 K CB 1.768 34.277 32.500 0.015 0.000 1.522 230 K HN -0.169 nan 8.250 nan 0.000 0.412 231 V N 2.046 121.985 119.914 0.042 0.000 2.487 231 V HA 0.463 4.583 4.120 -0.000 0.000 0.298 231 V C -0.535 175.601 176.094 0.070 0.000 1.028 231 V CA -0.753 61.561 62.300 0.024 0.000 0.860 231 V CB 1.389 33.254 31.823 0.071 0.000 0.991 231 V HN 0.607 nan 8.190 nan 0.000 0.427 232 I N 6.238 126.814 120.570 0.009 0.000 2.378 232 I HA 0.558 4.728 4.170 -0.000 0.000 0.291 232 I C -0.672 175.472 176.117 0.044 0.000 0.992 232 I CA -0.587 60.706 61.300 -0.012 0.000 1.154 232 I CB 1.263 39.225 38.000 -0.064 0.000 1.315 232 I HN 0.765 nan 8.210 nan 0.000 0.448 233 Y N 3.259 123.554 120.300 -0.009 0.000 2.634 233 Y HA 0.760 5.310 4.550 -0.000 0.000 0.340 233 Y C -0.996 174.923 175.900 0.031 0.000 1.058 233 Y CA -1.283 56.820 58.100 0.005 0.000 1.081 233 Y CB 1.329 39.811 38.460 0.037 0.000 1.295 233 Y HN 0.497 nan 8.280 nan 0.000 0.487 234 E N 1.693 122.012 120.200 0.199 0.000 2.246 234 E HA 0.256 4.606 4.350 -0.000 0.000 0.266 234 E C -1.536 175.195 176.600 0.219 0.000 0.880 234 E CA -0.933 55.520 56.400 0.089 0.000 0.762 234 E CB 1.439 31.147 29.700 0.014 0.000 1.180 234 E HN 0.801 nan 8.360 nan 0.000 0.416 235 D N 3.103 123.640 120.400 0.227 0.000 2.414 235 D HA -0.014 4.626 4.640 -0.000 0.000 0.251 235 D C 1.387 177.757 176.300 0.118 0.000 1.252 235 D CA -0.430 53.703 54.000 0.222 0.000 0.999 235 D CB 0.615 41.577 40.800 0.270 0.000 1.093 235 D HN 0.447 nan 8.370 nan 0.000 0.515 236 L N -0.213 121.068 121.223 0.097 0.000 2.043 236 L HA -0.248 4.092 4.340 -0.000 0.000 0.212 236 L C 1.689 178.586 176.870 0.045 0.000 1.075 236 L CA 1.854 56.730 54.840 0.060 0.000 0.752 236 L CB -0.684 41.406 42.059 0.052 0.000 0.891 236 L HN 0.474 nan 8.230 nan 0.000 0.432 237 N N -0.702 118.028 118.700 0.049 0.000 2.520 237 N HA -0.056 4.684 4.740 -0.000 0.000 0.185 237 N C 1.116 176.633 175.510 0.011 0.000 1.068 237 N CA 0.698 53.766 53.050 0.030 0.000 0.911 237 N CB 0.064 38.573 38.487 0.036 0.000 0.961 237 N HN 0.498 nan 8.380 nan 0.000 0.446 238 G N 0.091 108.896 108.800 0.009 0.000 2.159 238 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.227 238 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.227 238 G C -0.544 174.317 174.900 -0.065 0.000 0.986 238 G CA -0.587 44.501 45.100 -0.021 0.000 0.651 238 G HN 0.220 nan 8.290 nan 0.000 0.523 239 N N 1.293 119.945 118.700 -0.079 0.000 2.497 239 N HA 0.421 5.161 4.740 -0.000 0.000 0.271 239 N C 0.079 175.339 175.510 -0.416 0.000 1.142 239 N CA 0.481 53.401 53.050 -0.217 0.000 0.965 239 N CB 1.080 39.462 38.487 -0.174 0.000 1.077 239 N HN 0.174 nan 8.380 nan 0.000 0.462 240 T N 2.481 116.746 114.554 -0.481 0.000 2.799 240 T HA 0.343 4.693 4.350 -0.000 0.000 0.286 240 T C -0.355 173.880 174.700 -0.776 0.000 0.973 240 T CA -0.260 61.542 62.100 -0.497 0.000 1.035 240 T CB 0.277 68.979 68.868 -0.277 0.000 0.932 240 T HN 0.439 nan 8.240 nan 0.000 0.469 241 H N 0.476 119.220 119.070 -0.543 0.000 2.797 241 H HA 0.619 5.175 4.556 -0.000 0.000 0.372 241 H C -0.255 174.726 175.328 -0.579 0.000 1.168 241 H CA -1.126 54.563 56.048 -0.597 0.000 1.163 241 H CB 1.600 30.898 29.762 -0.773 0.000 1.778 241 H HN 0.679 nan 8.280 nan 0.000 0.551 242 E N 0.425 120.545 120.200 -0.133 0.000 2.343 242 E HA 0.637 4.987 4.350 -0.000 0.000 0.270 242 E C -1.574 175.085 176.600 0.099 0.000 0.895 242 E CA -1.172 55.218 56.400 -0.017 0.000 0.767 242 E CB 2.872 32.557 29.700 -0.025 0.000 1.248 242 E HN 0.272 nan 8.360 nan 0.000 0.440 243 V N 2.323 122.327 119.914 0.150 0.000 2.638 243 V HA 0.480 4.600 4.120 -0.000 0.000 0.306 243 V C -2.565 173.589 176.094 0.100 0.000 1.052 243 V CA -2.370 60.018 62.300 0.146 0.000 0.885 243 V CB 2.239 34.186 31.823 0.206 0.000 0.999 243 V HN 0.702 nan 8.190 nan 0.000 0.424 244 P HA 0.395 nan 4.420 nan 0.000 0.269 244 P C -1.066 176.278 177.300 0.073 0.000 1.209 244 P CA -0.082 63.054 63.100 0.059 0.000 0.776 244 P CB 1.255 32.983 31.700 0.047 0.000 0.876 245 A N 2.384 125.243 122.820 0.066 0.000 2.466 245 A HA 0.335 4.655 4.320 -0.000 0.000 0.284 245 A C 0.722 178.348 177.584 0.070 0.000 1.049 245 A CA -0.583 51.503 52.037 0.082 0.000 0.760 245 A CB 1.110 20.165 19.000 0.092 0.000 1.274 245 A HN 0.507 nan 8.150 nan 0.000 0.412 246 K N 1.953 122.411 120.400 0.095 0.000 2.128 246 K HA 0.252 4.572 4.320 -0.000 0.000 0.202 246 K C -0.144 176.546 176.600 0.150 0.000 1.050 246 K CA 0.883 57.228 56.287 0.098 0.000 0.966 246 K CB 0.137 32.692 32.500 0.091 0.000 0.759 246 K HN 0.597 nan 8.250 nan 0.000 0.454 247 F N 1.499 121.466 119.950 0.028 0.000 2.529 247 F HA 0.368 4.895 4.527 -0.000 0.000 0.320 247 F C -0.931 174.913 175.800 0.073 0.000 1.118 247 F CA -0.551 57.470 58.000 0.035 0.000 0.915 247 F CB 1.822 40.834 39.000 0.019 0.000 1.161 247 F HN 0.034 nan 8.300 nan 0.000 0.445 248 T N 4.466 118.634 114.554 -0.645 0.000 2.906 248 T HA 0.654 5.004 4.350 -0.000 0.000 0.295 248 T C -1.160 173.137 174.700 -0.672 0.000 1.075 248 T CA -0.885 60.993 62.100 -0.371 0.000 1.005 248 T CB 1.865 70.759 68.868 0.044 0.000 1.136 248 T HN 0.682 nan 8.240 nan 0.000 0.498 249 M N 2.843 122.266 119.600 -0.296 0.000 2.122 249 M HA 0.499 4.979 4.480 -0.000 0.000 0.269 249 M C -2.448 173.649 176.300 -0.339 0.000 0.954 249 M CA -0.981 54.136 55.300 -0.304 0.000 0.998 249 M CB 0.644 33.054 32.600 -0.316 0.000 1.755 249 M HN 0.812 nan 8.290 nan 0.000 0.459 250 F N 3.801 123.642 119.950 -0.181 0.000 2.480 250 F HA 0.585 5.112 4.527 -0.000 0.000 0.329 250 F C 0.524 176.245 175.800 -0.131 0.000 1.091 250 F CA -0.695 57.216 58.000 -0.147 0.000 0.972 250 F CB 1.642 40.569 39.000 -0.123 0.000 1.150 250 F HN 0.369 nan 8.300 nan 0.000 0.467 251 M N 5.038 124.621 119.600 -0.029 0.000 2.219 251 M HA 0.218 4.698 4.480 -0.000 0.000 0.353 251 M C -2.338 173.889 176.300 -0.120 0.000 1.304 251 M CA -2.134 53.106 55.300 -0.100 0.000 1.115 251 M CB 0.045 32.520 32.600 -0.208 0.000 1.664 251 M HN 0.199 nan 8.290 nan 0.000 0.459 252 P HA 0.207 nan 4.420 nan 0.000 0.276 252 P C -0.512 176.566 177.300 -0.369 0.000 1.252 252 P CA -0.415 62.477 63.100 -0.346 0.000 0.802 252 P CB 0.479 31.731 31.700 -0.747 0.000 1.035 253 S N 0.207 115.717 115.700 -0.317 0.000 2.645 253 S HA 0.546 5.016 4.470 -0.000 0.000 0.266 253 S C -0.318 174.204 174.600 -0.130 0.000 1.258 253 S CA -0.355 57.636 58.200 -0.349 0.000 0.990 253 S CB -0.088 62.991 63.200 -0.203 0.000 0.967 253 S HN 0.213 nan 8.310 nan 0.000 0.556 254 F N 0.898 120.768 119.950 -0.132 0.000 2.492 254 F HA 0.597 5.124 4.527 -0.000 0.000 0.327 254 F C 0.523 176.283 175.800 -0.067 0.000 1.079 254 F CA -1.151 56.787 58.000 -0.103 0.000 0.967 254 F CB 1.582 40.535 39.000 -0.079 0.000 1.169 254 F HN 0.859 nan 8.300 nan 0.000 0.472 255 Q N 0.585 120.473 119.800 0.146 0.000 2.683 255 Q HA 0.829 5.169 4.340 -0.000 0.000 0.302 255 Q C -0.578 175.449 176.000 0.046 0.000 1.042 255 Q CA -1.364 54.485 55.803 0.076 0.000 0.773 255 Q CB 1.995 30.758 28.738 0.042 0.000 1.508 255 Q HN 0.754 nan 8.270 nan 0.000 0.459 256 G N 0.871 109.690 108.800 0.032 0.000 2.507 256 G HA2 0.532 4.492 3.960 -0.000 0.000 0.271 256 G HA3 0.532 4.492 3.960 -0.000 0.000 0.271 256 G C -2.400 172.506 174.900 0.010 0.000 1.189 256 G CA -1.169 43.942 45.100 0.017 0.000 0.859 256 G HN 0.541 nan 8.290 nan 0.000 0.542 257 P HA 0.222 nan 4.420 nan 0.000 0.276 257 P C 0.279 177.582 177.300 0.005 0.000 1.261 257 P CA -0.404 62.697 63.100 0.001 0.000 0.800 257 P CB 1.515 33.212 31.700 -0.005 0.000 1.066 258 E N 0.006 120.209 120.200 0.006 0.000 2.347 258 E HA -0.065 4.285 4.350 -0.000 0.000 0.196 258 E C 1.664 178.266 176.600 0.003 0.000 1.008 258 E CA 0.525 56.929 56.400 0.006 0.000 0.852 258 E CB -0.683 29.022 29.700 0.007 0.000 0.783 258 E HN 0.161 nan 8.360 nan 0.000 0.505 259 V N 0.406 120.320 119.914 0.001 0.000 2.427 259 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 259 V C 2.116 178.208 176.094 -0.003 0.000 1.051 259 V CA 1.210 63.509 62.300 -0.002 0.000 1.048 259 V CB -0.019 31.802 31.823 -0.003 0.000 0.666 259 V HN 0.043 nan 8.190 nan 0.000 0.456 260 V N 0.368 120.281 119.914 -0.001 0.000 2.407 260 V HA -0.079 4.041 4.120 -0.000 0.000 0.245 260 V C 2.823 178.918 176.094 0.002 0.000 1.041 260 V CA 1.669 63.969 62.300 -0.000 0.000 1.040 260 V CB -1.092 30.735 31.823 0.006 0.000 0.671 260 V HN 0.613 nan 8.190 nan 0.000 0.455 261 A N 1.049 123.872 122.820 0.006 0.000 1.917 261 A HA -0.275 4.045 4.320 -0.000 0.000 0.219 261 A C 2.506 180.092 177.584 0.005 0.000 1.182 261 A CA 2.532 54.574 52.037 0.008 0.000 0.633 261 A CB -0.890 18.115 19.000 0.008 0.000 0.819 261 A HN 0.713 nan 8.150 nan 0.000 0.448 262 S N -0.449 115.252 115.700 0.001 0.000 2.507 262 S HA 0.213 4.683 4.470 -0.000 0.000 0.235 262 S C 1.638 176.232 174.600 -0.011 0.000 0.988 262 S CA 1.042 59.240 58.200 -0.003 0.000 0.944 262 S CB -0.391 62.807 63.200 -0.003 0.000 0.762 262 S HN 0.937 nan 8.310 nan 0.000 0.526 263 A N 0.796 123.606 122.820 -0.016 0.000 2.218 263 A HA 0.595 4.915 4.320 -0.000 0.000 0.209 263 A C 1.312 178.887 177.584 -0.015 0.000 1.168 263 A CA 0.401 52.414 52.037 -0.041 0.000 0.804 263 A CB -0.925 18.039 19.000 -0.060 0.000 0.834 263 A HN 1.600 nan 8.150 nan 0.000 0.482 264 G N 0.131 108.939 108.800 0.013 0.000 2.592 264 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.684 264 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.684 264 G C -0.155 174.774 174.900 0.048 0.000 1.291 264 G CA 0.138 45.261 45.100 0.039 0.000 0.891 264 G HN 0.608 nan 8.290 nan 0.000 0.544 265 D N -0.547 119.882 120.400 0.049 0.000 2.349 265 D HA 0.076 4.716 4.640 -0.000 0.000 0.224 265 D C 1.603 177.932 176.300 0.048 0.000 1.029 265 D CA 0.752 54.775 54.000 0.040 0.000 0.879 265 D CB 0.211 41.027 40.800 0.027 0.000 0.906 265 D HN 0.320 nan 8.370 nan 0.000 0.528 266 K N 0.044 120.494 120.400 0.083 0.000 2.356 266 K HA 0.160 4.480 4.320 -0.000 0.000 0.195 266 K C 1.559 178.225 176.600 0.111 0.000 1.037 266 K CA 0.170 56.511 56.287 0.090 0.000 1.014 266 K CB 0.770 33.339 32.500 0.115 0.000 0.815 266 K HN 0.186 nan 8.250 nan 0.000 0.507 267 V N 0.249 120.228 119.914 0.109 0.000 3.013 267 V HA 0.231 4.351 4.120 -0.000 0.000 0.238 267 V C 0.712 176.829 176.094 0.039 0.000 1.161 267 V CA 0.347 62.694 62.300 0.079 0.000 1.170 267 V CB 0.236 32.093 31.823 0.057 0.000 0.917 267 V HN 0.065 nan 8.190 nan 0.000 0.478 268 A N 1.765 124.605 122.820 0.033 0.000 2.276 268 A HA 0.368 4.688 4.320 -0.000 0.000 0.300 268 A C 0.190 177.786 177.584 0.020 0.000 1.235 268 A CA -0.208 51.843 52.037 0.022 0.000 0.867 268 A CB -0.144 18.868 19.000 0.019 0.000 1.137 268 A HN 0.351 nan 8.150 nan 0.000 0.527 269 N N 3.459 122.168 118.700 0.016 0.000 2.440 269 N HA 0.036 4.776 4.740 -0.000 0.000 0.265 269 N C -1.754 173.764 175.510 0.013 0.000 1.239 269 N CA -1.138 51.919 53.050 0.012 0.000 0.909 269 N CB 1.079 39.573 38.487 0.011 0.000 1.066 269 N HN 0.240 nan 8.380 nan 0.000 0.474 270 P HA -0.086 nan 4.420 nan 0.000 0.219 270 P C 0.646 177.953 177.300 0.010 0.000 1.146 270 P CA 1.095 64.201 63.100 0.011 0.000 0.808 270 P CB 0.221 31.927 31.700 0.009 0.000 0.779 271 A N 0.016 122.842 122.820 0.010 0.000 1.970 271 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 271 A C 1.517 179.109 177.584 0.013 0.000 1.170 271 A CA 1.741 53.784 52.037 0.010 0.000 0.645 271 A CB -0.803 18.202 19.000 0.010 0.000 0.816 271 A HN 0.362 nan 8.150 nan 0.000 0.447 272 N N -3.851 114.860 118.700 0.017 0.000 1.986 272 N HA 0.094 4.834 4.740 -0.000 0.000 0.227 272 N C 0.192 175.717 175.510 0.025 0.000 1.387 272 N CA 0.417 53.481 53.050 0.023 0.000 0.810 272 N CB 0.012 38.516 38.487 0.029 0.000 1.140 272 N HN 0.264 nan 8.380 nan 0.000 0.504 273 K N -0.578 119.834 120.400 0.021 0.000 3.472 273 K HA -0.177 4.143 4.320 -0.000 0.000 0.315 273 K C -0.471 176.142 176.600 0.022 0.000 1.320 273 K CA 1.016 57.315 56.287 0.019 0.000 0.962 273 K CB -1.502 31.009 32.500 0.017 0.000 1.251 273 K HN 0.373 nan 8.250 nan 0.000 0.443 274 M N 0.863 120.479 119.600 0.027 0.000 2.202 274 M HA 0.123 4.603 4.480 -0.000 0.000 0.316 274 M C 0.615 176.931 176.300 0.026 0.000 1.138 274 M CA -0.294 55.025 55.300 0.031 0.000 1.151 274 M CB 0.786 33.413 32.600 0.044 0.000 1.422 274 M HN -0.164 nan 8.290 nan 0.000 0.471 275 V N 3.298 123.230 119.914 0.031 0.000 2.479 275 V HA 0.057 4.177 4.120 -0.000 0.000 0.281 275 V C 0.289 176.388 176.094 0.008 0.000 1.031 275 V CA 0.008 62.324 62.300 0.026 0.000 1.038 275 V CB -0.254 31.595 31.823 0.044 0.000 0.981 275 V HN 0.553 nan 8.190 nan 0.000 0.478 276 I N 6.741 127.310 120.570 -0.001 0.000 2.505 276 I HA 0.242 4.412 4.170 -0.000 0.000 0.287 276 I C 0.127 176.212 176.117 -0.053 0.000 1.104 276 I CA 0.341 61.626 61.300 -0.026 0.000 1.387 276 I CB 0.534 38.527 38.000 -0.012 0.000 1.404 276 I HN 0.550 nan 8.210 nan 0.000 0.528 277 V N 2.878 122.725 119.914 -0.112 0.000 3.040 277 V HA 0.633 4.753 4.120 -0.000 0.000 0.312 277 V C -0.469 175.496 176.094 -0.214 0.000 1.115 277 V CA -1.001 61.196 62.300 -0.171 0.000 0.998 277 V CB 1.805 33.475 31.823 -0.255 0.000 1.042 277 V HN 0.770 nan 8.190 nan 0.000 0.433 278 N N 1.818 120.409 118.700 -0.181 0.000 2.514 278 N HA 0.398 5.138 4.740 -0.000 0.000 0.299 278 N C 0.747 176.146 175.510 -0.185 0.000 1.292 278 N CA -0.561 52.402 53.050 -0.145 0.000 0.963 278 N CB 0.156 38.601 38.487 -0.070 0.000 1.124 278 N HN 0.614 nan 8.380 nan 0.000 0.580 279 R N -1.147 119.313 120.500 -0.066 0.000 2.159 279 R HA 0.014 4.354 4.340 -0.000 0.000 0.237 279 R C 0.826 177.236 176.300 0.183 0.000 1.131 279 R CA 1.405 57.518 56.100 0.023 0.000 0.982 279 R CB -0.641 29.691 30.300 0.054 0.000 0.868 279 R HN 0.535 nan 8.270 nan 0.000 0.453 280 c N -0.098 118.612 118.600 0.183 0.000 2.625 280 c HA 0.229 4.799 4.570 -0.000 0.000 0.285 280 c C -0.098 174.285 174.090 0.489 0.000 1.279 280 c CA -0.699 55.823 56.329 0.322 0.000 1.698 280 c CB -1.523 41.138 42.510 0.252 0.000 1.821 280 c HN 0.523 nan 8.230 nan 0.000 0.600 281 F N 0.768 120.815 119.950 0.162 0.000 3.091 281 F HA -0.205 4.322 4.527 -0.000 0.000 0.288 281 F C 0.612 176.535 175.800 0.204 0.000 0.907 281 F CA 1.193 59.298 58.000 0.176 0.000 1.028 281 F CB -1.611 37.500 39.000 0.185 0.000 1.022 281 F HN 0.486 nan 8.300 nan 0.000 0.665 282 Q N 0.496 120.346 119.800 0.083 0.000 2.309 282 Q HA 0.401 4.741 4.340 -0.000 0.000 0.264 282 Q C -0.035 175.828 176.000 -0.227 0.000 1.008 282 Q CA -1.056 54.550 55.803 -0.329 0.000 0.853 282 Q CB 1.467 29.975 28.738 -0.384 0.000 1.314 282 Q HN 0.232 nan 8.270 nan 0.000 0.448 283 N N 3.910 122.459 118.700 -0.253 0.000 2.468 283 N HA 0.071 4.810 4.740 -0.000 0.000 0.265 283 N C -1.999 173.446 175.510 -0.108 0.000 1.199 283 N CA -1.075 51.907 53.050 -0.113 0.000 0.928 283 N CB 1.117 39.592 38.487 -0.020 0.000 1.059 283 N HN 0.405 nan 8.380 nan 0.000 0.467 284 P HA -0.105 nan 4.420 nan 0.000 0.218 284 P C 0.438 177.676 177.300 -0.103 0.000 1.148 284 P CA 1.377 64.428 63.100 -0.082 0.000 0.822 284 P CB 0.322 31.982 31.700 -0.067 0.000 0.784 285 T N -2.714 111.765 114.554 -0.126 0.000 2.980 285 T HA 0.036 4.386 4.350 -0.000 0.000 0.239 285 T C 0.256 174.740 174.700 -0.360 0.000 1.011 285 T CA 0.711 62.647 62.100 -0.273 0.000 1.171 285 T CB -0.546 68.098 68.868 -0.372 0.000 0.873 285 T HN -0.039 nan 8.240 nan 0.000 0.431 286 Y N 2.469 122.743 120.300 -0.044 0.000 2.594 286 Y HA 0.324 4.874 4.550 -0.000 0.000 0.342 286 Y C 1.288 177.142 175.900 -0.076 0.000 1.010 286 Y CA -0.874 57.206 58.100 -0.033 0.000 1.270 286 Y CB 0.565 39.024 38.460 -0.002 0.000 1.125 286 Y HN -0.145 nan 8.280 nan 0.000 0.513 287 K N 1.485 121.901 120.400 0.027 0.000 2.442 287 K HA -0.098 4.222 4.320 -0.000 0.000 0.198 287 K C 0.822 177.414 176.600 -0.014 0.000 1.042 287 K CA 0.582 56.845 56.287 -0.039 0.000 0.958 287 K CB 0.002 32.509 32.500 0.011 0.000 0.766 287 K HN 0.719 nan 8.250 nan 0.000 0.474 288 N N 0.347 119.105 118.700 0.097 0.000 2.270 288 N HA 0.009 4.749 4.740 -0.000 0.000 0.198 288 N C 0.230 175.892 175.510 0.254 0.000 1.117 288 N CA -0.054 53.144 53.050 0.247 0.000 0.845 288 N CB 0.131 38.627 38.487 0.015 0.000 0.980 288 N HN 0.069 nan 8.380 nan 0.000 0.486 289 I N 0.984 121.571 120.570 0.030 0.000 2.336 289 I HA 0.348 4.518 4.170 -0.000 0.000 0.292 289 I C -0.808 175.195 176.117 -0.190 0.000 0.991 289 I CA -0.727 60.571 61.300 -0.003 0.000 1.227 289 I CB 0.677 38.678 38.000 0.002 0.000 1.366 289 I HN -0.224 nan 8.210 nan 0.000 0.466 290 F N 2.914 122.903 119.950 0.065 0.000 2.577 290 F HA 0.719 5.246 4.527 -0.000 0.000 0.318 290 F C 0.624 176.472 175.800 0.080 0.000 1.065 290 F CA -0.756 57.301 58.000 0.095 0.000 0.929 290 F CB 2.110 41.173 39.000 0.105 0.000 1.237 290 F HN 0.339 nan 8.300 nan 0.000 0.468 291 G N 0.648 109.640 108.800 0.320 0.000 2.513 291 G HA2 0.584 4.544 3.960 -0.000 0.000 0.317 291 G HA3 0.584 4.544 3.960 -0.000 0.000 0.317 291 G C -2.117 172.971 174.900 0.313 0.000 1.277 291 G CA -0.877 44.374 45.100 0.251 0.000 0.955 291 G HN 0.642 nan 8.290 nan 0.000 0.484 292 V N 2.423 122.447 119.914 0.184 0.000 2.638 292 V HA 0.912 5.032 4.120 -0.000 0.000 0.306 292 V C 0.560 176.699 176.094 0.076 0.000 1.052 292 V CA 1.228 63.591 62.300 0.106 0.000 0.885 292 V CB 1.152 32.994 31.823 0.032 0.000 0.999 292 V HN 2.356 nan 8.190 nan 0.000 0.424 293 G N 4.581 113.415 108.800 0.057 0.000 2.512 293 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.210 293 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.210 293 G C 0.435 175.376 174.900 0.070 0.000 1.295 293 G CA -0.073 45.051 45.100 0.039 0.000 0.934 293 G HN 1.397 nan 8.290 nan 0.000 0.554 294 V N 0.227 120.157 119.914 0.026 0.000 2.594 294 V HA -0.122 3.998 4.120 -0.000 0.000 0.253 294 V C 2.946 179.067 176.094 0.044 0.000 1.069 294 V CA 2.274 64.592 62.300 0.029 0.000 1.082 294 V CB -0.329 31.442 31.823 -0.087 0.000 0.680 294 V HN 1.053 nan 8.190 nan 0.000 0.469 295 V N 0.916 120.847 119.914 0.029 0.000 3.141 295 V HA -0.058 4.061 4.120 -0.000 0.000 0.265 295 V C 1.425 177.563 176.094 0.074 0.000 1.126 295 V CA 1.392 63.714 62.300 0.036 0.000 1.141 295 V CB -0.715 31.120 31.823 0.020 0.000 0.743 295 V HN 0.806 nan 8.190 nan 0.000 0.492 296 T N 0.254 114.880 114.554 0.120 0.000 2.884 296 T HA 0.539 4.889 4.350 -0.000 0.000 0.298 296 T C 0.106 174.860 174.700 0.089 0.000 0.998 296 T CA -0.018 62.164 62.100 0.136 0.000 1.124 296 T CB 1.383 70.424 68.868 0.288 0.000 0.931 296 T HN 0.490 nan 8.240 nan 0.000 0.531 297 A N 4.801 127.641 122.820 0.034 0.000 2.544 297 A HA 0.525 4.845 4.320 -0.000 0.000 0.301 297 A C 0.244 177.823 177.584 -0.008 0.000 1.368 297 A CA -0.717 51.331 52.037 0.017 0.000 1.045 297 A CB -0.813 18.188 19.000 0.001 0.000 1.129 297 A HN 0.894 nan 8.150 nan 0.000 0.540 298 I N 4.110 124.698 120.570 0.030 0.000 2.378 298 I HA 0.286 4.456 4.170 -0.000 0.000 0.291 298 I C -2.162 173.973 176.117 0.031 0.000 0.992 298 I CA -2.212 59.103 61.300 0.024 0.000 1.154 298 I CB 1.903 39.953 38.000 0.083 0.000 1.315 298 I HN 0.394 nan 8.210 nan 0.000 0.448 299 P HA 0.103 nan 4.420 nan 0.000 0.265 299 P C -2.367 174.954 177.300 0.036 0.000 1.193 299 P CA -0.729 62.383 63.100 0.021 0.000 0.765 299 P CB -0.336 31.370 31.700 0.010 0.000 0.823 300 P HA 0.028 nan 4.420 nan 0.000 0.265 300 P C 0.902 178.231 177.300 0.049 0.000 1.187 300 P CA 0.290 63.422 63.100 0.053 0.000 0.766 300 P CB 0.700 32.431 31.700 0.052 0.000 0.820 301 I N 0.504 121.107 120.570 0.055 0.000 2.226 301 I HA -0.148 4.022 4.170 -0.000 0.000 0.245 301 I C 1.417 177.561 176.117 0.045 0.000 1.100 301 I CA 1.591 62.915 61.300 0.040 0.000 1.374 301 I CB 0.025 38.038 38.000 0.023 0.000 1.057 301 I HN 0.471 nan 8.210 nan 0.000 0.413 302 E N 0.812 121.054 120.200 0.071 0.000 2.292 302 E HA 0.171 4.521 4.350 -0.000 0.000 0.272 302 E C -0.722 175.918 176.600 0.066 0.000 0.881 302 E CA -0.718 55.730 56.400 0.079 0.000 0.754 302 E CB 1.374 31.157 29.700 0.137 0.000 1.201 302 E HN -0.103 nan 8.360 nan 0.000 0.425 303 K N 3.672 124.098 120.400 0.043 0.000 2.262 303 K HA 0.125 4.445 4.320 -0.000 0.000 0.288 303 K C -0.506 176.100 176.600 0.011 0.000 1.090 303 K CA -0.059 56.243 56.287 0.025 0.000 0.918 303 K CB 0.171 32.683 32.500 0.020 0.000 1.139 303 K HN 0.558 nan 8.250 nan 0.000 0.462 304 T N 1.899 116.443 114.554 -0.015 0.000 2.922 304 T HA 0.254 4.604 4.350 -0.000 0.000 0.285 304 T C -1.766 172.907 174.700 -0.045 0.000 1.005 304 T CA -1.859 60.201 62.100 -0.066 0.000 1.061 304 T CB 1.291 70.045 68.868 -0.190 0.000 1.007 304 T HN 0.298 nan 8.240 nan 0.000 0.502 305 P HA -0.004 nan 4.420 nan 0.000 0.216 305 P C 0.223 177.514 177.300 -0.014 0.000 1.153 305 P CA 0.921 64.011 63.100 -0.017 0.000 0.858 305 P CB 0.011 31.706 31.700 -0.009 0.000 0.789 306 I N -0.392 120.161 120.570 -0.029 0.000 2.331 306 I HA 0.251 4.421 4.170 -0.000 0.000 0.292 306 I C -2.342 173.763 176.117 -0.020 0.000 0.998 306 I CA -3.880 57.411 61.300 -0.014 0.000 1.267 306 I CB 0.427 38.424 38.000 -0.004 0.000 1.386 306 I HN -0.248 nan 8.210 nan 0.000 0.476 307 P HA 0.013 nan 4.420 nan 0.000 0.261 307 P C -0.341 176.972 177.300 0.022 0.000 1.165 307 P CA 0.788 63.890 63.100 0.003 0.000 0.759 307 P CB 0.453 32.154 31.700 0.001 0.000 0.772 308 T N 1.853 116.431 114.554 0.039 0.000 2.923 308 T HA 0.649 4.999 4.350 -0.000 0.000 0.311 308 T C -0.179 174.586 174.700 0.107 0.000 1.183 308 T CA -0.485 61.684 62.100 0.115 0.000 1.020 308 T CB 1.710 70.627 68.868 0.082 0.000 1.165 308 T HN 0.381 nan 8.240 nan 0.000 0.482 309 G N 0.529 109.406 108.800 0.128 0.000 2.788 309 G HA2 0.661 4.621 3.960 -0.000 0.000 0.293 309 G HA3 0.661 4.621 3.960 -0.000 0.000 0.293 309 G C -0.957 174.026 174.900 0.139 0.000 1.305 309 G CA -0.566 44.589 45.100 0.092 0.000 1.005 309 G HN 0.701 nan 8.290 nan 0.000 0.496 310 V N 2.419 122.398 119.914 0.108 0.000 2.498 310 V HA 0.334 4.454 4.120 -0.000 0.000 0.279 310 V C -1.619 174.543 176.094 0.113 0.000 1.048 310 V CA -1.160 61.209 62.300 0.115 0.000 0.967 310 V CB 1.329 33.207 31.823 0.092 0.000 0.988 310 V HN 0.618 nan 8.190 nan 0.000 0.473 311 P HA 0.296 nan 4.420 nan 0.000 0.274 311 P C -1.129 176.225 177.300 0.089 0.000 1.231 311 P CA -0.671 62.491 63.100 0.103 0.000 0.790 311 P CB 0.916 32.669 31.700 0.090 0.000 0.951 312 K N 1.029 121.486 120.400 0.094 0.000 2.464 312 K HA 0.337 4.657 4.320 -0.000 0.000 0.252 312 K C 0.440 177.057 176.600 0.028 0.000 1.000 312 K CA -0.390 55.938 56.287 0.068 0.000 0.951 312 K CB 0.601 33.152 32.500 0.085 0.000 1.183 312 K HN 0.451 nan 8.250 nan 0.000 0.445 313 T N -1.642 112.913 114.554 0.001 0.000 2.816 313 T HA 0.275 4.625 4.350 -0.000 0.000 0.282 313 T C 1.524 176.201 174.700 -0.038 0.000 0.993 313 T CA -0.346 61.734 62.100 -0.033 0.000 0.994 313 T CB 1.440 70.275 68.868 -0.055 0.000 1.025 313 T HN 0.448 nan 8.240 nan 0.000 0.529 314 G N 0.196 108.959 108.800 -0.062 0.000 2.446 314 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 314 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 314 G C 1.445 176.348 174.900 0.004 0.000 1.168 314 G CA 1.139 46.208 45.100 -0.052 0.000 0.771 314 G HN 0.839 nan 8.290 nan 0.000 0.551 315 M N -0.213 119.389 119.600 0.003 0.000 2.080 315 M HA -0.036 4.444 4.480 -0.000 0.000 0.260 315 M C 2.629 178.943 176.300 0.023 0.000 1.068 315 M CA 1.665 56.988 55.300 0.038 0.000 1.109 315 M CB -0.181 32.440 32.600 0.035 0.000 1.342 315 M HN 0.266 nan 8.290 nan 0.000 0.405 316 M N 0.034 119.633 119.600 -0.002 0.000 2.080 316 M HA -0.235 4.245 4.480 -0.000 0.000 0.260 316 M C 2.017 178.278 176.300 -0.064 0.000 1.068 316 M CA 1.800 57.086 55.300 -0.023 0.000 1.109 316 M CB -0.529 32.065 32.600 -0.011 0.000 1.342 316 M HN 0.358 nan 8.290 nan 0.000 0.405 317 I N -0.307 120.237 120.570 -0.044 0.000 2.252 317 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 317 I C 2.197 178.287 176.117 -0.045 0.000 1.102 317 I CA 1.287 62.552 61.300 -0.058 0.000 1.385 317 I CB -0.437 37.550 38.000 -0.022 0.000 1.064 317 I HN 0.327 nan 8.210 nan 0.000 0.414 318 E N 0.518 120.726 120.200 0.013 0.000 2.110 318 E HA -0.276 4.074 4.350 -0.000 0.000 0.193 318 E C 2.221 178.818 176.600 -0.005 0.000 0.988 318 E CA 1.183 57.608 56.400 0.043 0.000 0.804 318 E CB -0.085 29.691 29.700 0.127 0.000 0.745 318 E HN 0.565 nan 8.360 nan 0.000 0.458 319 Q N -0.006 119.781 119.800 -0.022 0.000 2.079 319 Q HA -0.125 4.215 4.340 -0.000 0.000 0.200 319 Q C 2.204 178.136 176.000 -0.113 0.000 0.974 319 Q CA 1.201 56.979 55.803 -0.041 0.000 0.840 319 Q CB -0.067 28.658 28.738 -0.021 0.000 0.898 319 Q HN 0.326 nan 8.270 nan 0.000 0.430 320 M N 0.126 119.590 119.600 -0.226 0.000 2.080 320 M HA -0.215 4.265 4.480 -0.000 0.000 0.260 320 M C 2.410 178.597 176.300 -0.189 0.000 1.068 320 M CA 1.624 56.690 55.300 -0.390 0.000 1.109 320 M CB -0.425 31.834 32.600 -0.568 0.000 1.342 320 M HN 0.269 nan 8.290 nan 0.000 0.405 321 A N 0.340 123.087 122.820 -0.122 0.000 1.883 321 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 321 A C 2.129 179.667 177.584 -0.077 0.000 1.186 321 A CA 1.950 53.937 52.037 -0.084 0.000 0.624 321 A CB -0.698 18.264 19.000 -0.062 0.000 0.822 321 A HN 0.489 nan 8.150 nan 0.000 0.444 322 M N -0.621 118.949 119.600 -0.050 0.000 2.086 322 M HA -0.157 4.323 4.480 -0.000 0.000 0.261 322 M C 2.583 178.907 176.300 0.040 0.000 1.067 322 M CA 1.510 56.807 55.300 -0.005 0.000 1.116 322 M CB -0.518 32.090 32.600 0.014 0.000 1.348 322 M HN 0.486 nan 8.290 nan 0.000 0.407 323 A N 0.035 122.863 122.820 0.014 0.000 1.865 323 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 323 A C 2.266 179.896 177.584 0.076 0.000 1.191 323 A CA 1.960 54.045 52.037 0.081 0.000 0.623 323 A CB -1.149 17.913 19.000 0.103 0.000 0.826 323 A HN 0.291 nan 8.150 nan 0.000 0.444 324 V N -0.141 119.765 119.914 -0.014 0.000 2.295 324 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 324 V C 3.079 178.967 176.094 -0.343 0.000 1.049 324 V CA 2.043 64.232 62.300 -0.186 0.000 1.024 324 V CB -1.278 30.465 31.823 -0.134 0.000 0.648 324 V HN 0.646 nan 8.190 nan 0.000 0.447 325 A N -1.158 121.523 122.820 -0.232 0.000 1.883 325 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 325 A C 2.133 179.549 177.584 -0.280 0.000 1.186 325 A CA 1.947 53.818 52.037 -0.276 0.000 0.624 325 A CB -0.816 18.033 19.000 -0.252 0.000 0.822 325 A HN 0.673 nan 8.150 nan 0.000 0.444 326 H N -0.318 118.656 119.070 -0.159 0.000 2.389 326 H HA -0.071 4.485 4.556 -0.000 0.000 0.299 326 H C 1.954 177.277 175.328 -0.009 0.000 1.081 326 H CA 1.600 57.593 56.048 -0.093 0.000 1.345 326 H CB -0.239 29.417 29.762 -0.177 0.000 1.393 326 H HN 0.669 nan 8.280 nan 0.000 0.520 327 N N 0.219 118.968 118.700 0.081 0.000 2.142 327 N HA -0.087 4.653 4.740 -0.000 0.000 0.186 327 N C 1.955 177.407 175.510 -0.098 0.000 1.023 327 N CA 0.698 53.791 53.050 0.071 0.000 0.852 327 N CB 0.132 38.706 38.487 0.145 0.000 0.998 327 N HN 0.195 nan 8.380 nan 0.000 0.424 328 I N 0.483 120.807 120.570 -0.411 0.000 2.202 328 I HA -0.212 3.958 4.170 -0.000 0.000 0.242 328 I C 2.113 177.982 176.117 -0.415 0.000 1.091 328 I CA 0.825 61.773 61.300 -0.587 0.000 1.368 328 I CB -0.208 37.337 38.000 -0.759 0.000 1.058 328 I HN -0.022 nan 8.210 nan 0.000 0.410 329 V N 1.232 120.988 119.914 -0.264 0.000 2.343 329 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 329 V C 2.125 178.190 176.094 -0.048 0.000 1.051 329 V CA 2.011 64.219 62.300 -0.153 0.000 1.036 329 V CB -0.834 30.904 31.823 -0.142 0.000 0.654 329 V HN 0.436 nan 8.190 nan 0.000 0.451 330 N N 0.141 118.851 118.700 0.016 0.000 2.166 330 N HA -0.172 4.568 4.740 -0.000 0.000 0.186 330 N C 1.604 177.159 175.510 0.075 0.000 1.019 330 N CA 1.671 54.769 53.050 0.079 0.000 0.856 330 N CB -0.442 38.133 38.487 0.146 0.000 0.993 330 N HN 0.614 nan 8.380 nan 0.000 0.426 331 D N 0.164 120.606 120.400 0.069 0.000 2.117 331 D HA 0.010 4.650 4.640 -0.000 0.000 0.198 331 D C 1.899 178.289 176.300 0.150 0.000 0.982 331 D CA 0.659 54.743 54.000 0.140 0.000 0.828 331 D CB -0.019 40.926 40.800 0.243 0.000 0.967 331 D HN 0.191 nan 8.370 nan 0.000 0.464 332 I N -0.047 120.573 120.570 0.083 0.000 2.208 332 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 332 I C 2.077 178.250 176.117 0.093 0.000 1.097 332 I CA 1.091 62.462 61.300 0.119 0.000 1.363 332 I CB -0.164 37.865 38.000 0.047 0.000 1.051 332 I HN -0.036 nan 8.210 nan 0.000 0.413 333 R N 0.741 121.279 120.500 0.064 0.000 2.320 333 R HA 0.072 4.412 4.340 -0.000 0.000 0.211 333 R C 0.061 176.399 176.300 0.063 0.000 0.931 333 R CA 0.004 56.139 56.100 0.058 0.000 1.071 333 R CB -0.092 30.236 30.300 0.046 0.000 1.025 333 R HN 0.279 nan 8.270 nan 0.000 0.495 334 N N 1.533 120.279 118.700 0.076 0.000 2.735 334 N HA -0.207 4.533 4.740 -0.000 0.000 0.248 334 N C -1.059 174.488 175.510 0.062 0.000 1.083 334 N CA 0.746 53.838 53.050 0.071 0.000 0.703 334 N CB -1.231 37.293 38.487 0.062 0.000 1.005 334 N HN 0.316 nan 8.380 nan 0.000 0.550 335 N N 1.141 119.881 118.700 0.067 0.000 2.419 335 N HA 0.237 4.977 4.740 -0.000 0.000 0.264 335 N C -1.266 174.279 175.510 0.058 0.000 1.031 335 N CA -1.634 51.454 53.050 0.063 0.000 0.951 335 N CB 1.165 39.699 38.487 0.079 0.000 1.101 335 N HN 0.019 nan 8.380 nan 0.000 0.488 336 P HA 0.016 nan 4.420 nan 0.000 0.229 336 P C -0.549 176.747 177.300 -0.006 0.000 1.160 336 P CA 0.461 63.575 63.100 0.023 0.000 0.777 336 P CB 0.322 32.030 31.700 0.012 0.000 0.814 337 D N 1.410 121.794 120.400 -0.027 0.000 2.425 337 D HA 0.177 4.817 4.640 -0.000 0.000 0.247 337 D C 0.390 176.589 176.300 -0.167 0.000 1.147 337 D CA 0.736 54.651 54.000 -0.142 0.000 0.879 337 D CB 0.840 41.542 40.800 -0.164 0.000 1.179 337 D HN 0.105 nan 8.370 nan 0.000 0.456 338 K N 1.530 121.754 120.400 -0.293 0.000 2.435 338 K HA 0.460 4.780 4.320 -0.000 0.000 0.251 338 K C -1.128 175.256 176.600 -0.361 0.000 0.954 338 K CA -0.821 55.369 56.287 -0.162 0.000 0.820 338 K CB 1.844 34.354 32.500 0.016 0.000 1.292 338 K HN 0.304 nan 8.250 nan 0.000 0.436 339 Y N -0.118 120.233 120.300 0.084 0.000 2.446 339 Y HA 0.562 5.112 4.550 -0.000 0.000 0.345 339 Y C -0.261 175.707 175.900 0.113 0.000 0.984 339 Y CA -0.937 57.203 58.100 0.066 0.000 1.058 339 Y CB 2.298 40.772 38.460 0.023 0.000 1.220 339 Y HN 0.613 nan 8.280 nan 0.000 0.455 340 A N 4.241 127.213 122.820 0.255 0.000 2.337 340 A HA 0.760 5.080 4.320 -0.000 0.000 0.329 340 A C -2.839 174.864 177.584 0.198 0.000 1.146 340 A CA -2.094 50.087 52.037 0.240 0.000 0.800 340 A CB 0.831 19.946 19.000 0.192 0.000 1.220 340 A HN 0.412 nan 8.150 nan 0.000 0.472 341 P HA 0.169 nan 4.420 nan 0.000 0.274 341 P C 0.313 177.673 177.300 0.099 0.000 1.231 341 P CA -0.252 62.890 63.100 0.070 0.000 0.790 341 P CB 1.043 32.697 31.700 -0.076 0.000 0.951 342 R N 3.334 123.885 120.500 0.085 0.000 2.120 342 R HA -0.008 4.332 4.340 -0.000 0.000 0.234 342 R C 0.852 177.194 176.300 0.070 0.000 1.123 342 R CA 1.049 57.202 56.100 0.087 0.000 0.975 342 R CB -1.383 28.977 30.300 0.100 0.000 0.866 342 R HN 0.498 nan 8.270 nan 0.000 0.446 343 L N 1.513 122.766 121.223 0.050 0.000 3.597 343 L HA -0.251 4.089 4.340 -0.000 0.000 0.440 343 L C -0.281 176.598 176.870 0.015 0.000 1.277 343 L CA 0.412 55.273 54.840 0.036 0.000 0.852 343 L CB -2.398 39.707 42.059 0.078 0.000 1.708 343 L HN 0.421 nan 8.230 nan 0.000 0.885 344 S N -0.950 114.759 115.700 0.016 0.000 2.707 344 S HA 0.906 5.376 4.470 -0.000 0.000 0.276 344 S C 0.120 174.715 174.600 -0.008 0.000 1.179 344 S CA -0.117 58.066 58.200 -0.028 0.000 0.992 344 S CB 2.574 65.788 63.200 0.024 0.000 1.030 344 S HN 0.798 nan 8.310 nan 0.000 0.554 345 A N 0.737 123.526 122.820 -0.053 0.000 2.465 345 A HA 0.686 5.006 4.320 -0.000 0.000 0.292 345 A C -0.591 177.036 177.584 0.072 0.000 1.041 345 A CA -0.841 51.191 52.037 -0.009 0.000 0.718 345 A CB 0.625 19.583 19.000 -0.070 0.000 1.266 345 A HN 0.795 nan 8.150 nan 0.000 0.403 349 A N 3.876 126.615 122.820 -0.136 0.000 2.391 349 A HA 0.443 4.763 4.320 -0.000 0.000 0.316 349 A C -0.362 176.891 177.584 -0.553 0.000 1.381 349 A CA -0.209 51.730 52.037 -0.163 0.000 0.998 349 A CB 0.168 19.216 19.000 0.081 0.000 1.147 349 A HN 0.622 nan 8.150 nan 0.000 0.545 350 D N 1.977 122.270 120.400 -0.179 0.000 2.383 350 D HA 0.259 4.899 4.640 -0.000 0.000 0.252 350 D C -0.103 176.206 176.300 0.014 0.000 1.166 350 D CA 0.058 53.999 54.000 -0.097 0.000 0.879 350 D CB 0.188 41.143 40.800 0.258 0.000 1.164 350 D HN 0.364 nan 8.370 nan 0.000 0.462 351 F N 1.558 121.555 119.950 0.078 0.000 2.678 351 F HA 0.345 4.872 4.527 -0.000 0.000 0.305 351 F C 1.789 177.586 175.800 -0.006 0.000 1.090 351 F CA 0.104 58.145 58.000 0.067 0.000 1.272 351 F CB 0.410 39.451 39.000 0.068 0.000 1.060 351 F HN 0.598 nan 8.300 nan 0.000 0.576 352 G N 0.219 109.014 108.800 -0.010 0.000 2.083 352 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.199 352 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.199 352 G C 0.867 175.148 174.900 -1.031 0.000 2.367 352 G CA 0.104 44.868 45.100 -0.560 0.000 1.555 352 G HN 0.194 nan 8.290 nan 0.000 0.490 353 E N 1.159 120.812 120.200 -0.913 0.000 2.473 353 E HA 0.233 4.583 4.350 -0.000 0.000 0.204 353 E C -0.149 176.148 176.600 -0.505 0.000 0.994 353 E CA 0.726 56.637 56.400 -0.815 0.000 0.945 353 E CB 0.397 29.881 29.700 -0.360 0.000 0.990 353 E HN 0.587 nan 8.360 nan 0.000 0.493 354 D N -0.691 119.559 120.400 -0.249 0.000 2.533 354 D HA 0.644 5.284 4.640 -0.000 0.000 0.247 354 D C -0.795 175.434 176.300 -0.118 0.000 1.056 354 D CA -1.044 52.900 54.000 -0.094 0.000 1.054 354 D CB 1.376 42.196 40.800 0.034 0.000 1.400 354 D HN -0.013 nan 8.370 nan 0.000 0.533 355 A N -1.017 121.648 122.820 -0.259 0.000 2.606 355 A HA 0.762 5.082 4.320 -0.000 0.000 0.293 355 A C -0.372 176.838 177.584 -0.624 0.000 1.082 355 A CA -0.533 51.118 52.037 -0.643 0.000 0.685 355 A CB 1.495 20.222 19.000 -0.455 0.000 1.284 355 A HN 0.783 nan 8.150 nan 0.000 0.408 356 G N -0.353 107.927 108.800 -0.865 0.000 2.338 356 G HA2 0.538 4.498 3.960 -0.000 0.000 0.298 356 G HA3 0.538 4.498 3.960 -0.000 0.000 0.298 356 G C -0.961 173.600 174.900 -0.565 0.000 1.140 356 G CA -0.263 44.535 45.100 -0.503 0.000 0.860 356 G HN 0.904 nan 8.290 nan 0.000 0.470 357 F N 3.171 122.664 119.950 -0.760 0.000 2.426 357 F HA 0.713 5.240 4.527 -0.000 0.000 0.348 357 F C -1.346 174.089 175.800 -0.608 0.000 1.124 357 F CA -1.464 56.209 58.000 -0.545 0.000 1.008 357 F CB 1.023 39.790 39.000 -0.388 0.000 1.139 357 F HN 0.287 nan 8.300 nan 0.000 0.452 358 F N 7.499 127.108 119.950 -0.569 0.000 2.477 358 F HA 0.409 4.936 4.527 -0.000 0.000 0.335 358 F C -0.990 174.515 175.800 -0.491 0.000 1.130 358 F CA -0.988 56.786 58.000 -0.376 0.000 0.948 358 F CB 1.549 40.382 39.000 -0.278 0.000 1.154 358 F HN 0.384 nan 8.300 nan 0.000 0.439 359 F N 2.953 122.758 119.950 -0.242 0.000 2.493 359 F HA 0.827 5.354 4.527 -0.000 0.000 0.329 359 F C -0.950 174.841 175.800 -0.014 0.000 1.126 359 F CA -0.681 57.221 58.000 -0.163 0.000 0.937 359 F CB 1.061 40.035 39.000 -0.044 0.000 1.146 359 F HN 0.550 nan 8.300 nan 0.000 0.442 360 A N 4.627 127.029 122.820 -0.697 0.000 2.343 360 A HA 0.530 4.850 4.320 -0.000 0.000 0.308 360 A C -1.858 175.260 177.584 -0.777 0.000 1.092 360 A CA -0.522 51.163 52.037 -0.586 0.000 0.751 360 A CB 1.210 20.051 19.000 -0.265 0.000 1.203 360 A HN 0.681 nan 8.150 nan 0.000 0.452 361 D N 3.467 123.492 120.400 -0.625 0.000 2.421 361 D HA 0.568 5.208 4.640 -0.000 0.000 0.254 361 D C -2.798 173.416 176.300 -0.143 0.000 1.238 361 D CA -1.369 52.406 54.000 -0.374 0.000 0.919 361 D CB 2.265 42.880 40.800 -0.309 0.000 1.152 361 D HN 0.229 nan 8.370 nan 0.000 0.552 362 P HA 0.129 nan 4.420 nan 0.000 0.282 362 P C 0.943 178.176 177.300 -0.111 0.000 1.287 362 P CA -0.645 62.404 63.100 -0.085 0.000 0.792 362 P CB 0.988 32.678 31.700 -0.017 0.000 1.163 363 V N -0.501 119.361 119.914 -0.086 0.000 2.358 363 V HA -0.120 4.000 4.120 -0.000 0.000 0.246 363 V C 1.275 177.342 176.094 -0.044 0.000 1.047 363 V CA 1.442 63.696 62.300 -0.077 0.000 1.035 363 V CB -0.809 30.983 31.823 -0.051 0.000 0.658 363 V HN 0.379 nan 8.190 nan 0.000 0.452 364 I N 2.185 122.747 120.570 -0.015 0.000 2.379 364 I HA 0.198 4.368 4.170 -0.000 0.000 0.290 364 I C -2.168 173.943 176.117 -0.010 0.000 1.063 364 I CA -1.734 59.566 61.300 -0.001 0.000 1.351 364 I CB 0.716 38.731 38.000 0.025 0.000 1.410 364 I HN 0.126 nan 8.210 nan 0.000 0.505 365 P HA 0.100 nan 4.420 nan 0.000 0.270 365 P C -2.345 174.953 177.300 -0.002 0.000 1.223 365 P CA -0.795 62.297 63.100 -0.014 0.000 0.785 365 P CB -0.341 31.349 31.700 -0.016 0.000 0.923 366 P HA 0.241 nan 4.420 nan 0.000 0.275 366 P C -0.568 176.726 177.300 -0.010 0.000 1.228 366 P CA -0.095 63.002 63.100 -0.005 0.000 0.786 366 P CB 0.950 32.650 31.700 0.001 0.000 0.927 367 R N 1.222 121.712 120.500 -0.017 0.000 2.540 367 R HA 0.210 4.550 4.340 -0.000 0.000 0.287 367 R C 0.873 177.167 176.300 -0.010 0.000 0.980 367 R CA -0.580 55.503 56.100 -0.028 0.000 0.966 367 R CB 1.143 31.412 30.300 -0.051 0.000 1.106 367 R HN 0.442 nan 8.270 nan 0.000 0.480 368 E N 1.414 121.610 120.200 -0.005 0.000 2.112 368 E HA -0.013 4.337 4.350 -0.000 0.000 0.190 368 E C -0.123 176.496 176.600 0.032 0.000 0.979 368 E CA 1.241 57.653 56.400 0.021 0.000 0.814 368 E CB 0.457 30.181 29.700 0.040 0.000 0.762 368 E HN 0.317 nan 8.360 nan 0.000 0.460 369 R N -0.987 119.523 120.500 0.016 0.000 2.594 369 R HA 0.414 4.754 4.340 -0.000 0.000 0.265 369 R C -1.804 174.492 176.300 -0.007 0.000 1.070 369 R CA -0.555 55.579 56.100 0.057 0.000 0.909 369 R CB 1.926 32.324 30.300 0.163 0.000 1.243 369 R HN 0.004 nan 8.270 nan 0.000 0.455 370 V N 0.341 120.291 119.914 0.061 0.000 3.007 370 V HA 0.737 4.857 4.120 -0.000 0.000 0.311 370 V C -0.686 175.537 176.094 0.215 0.000 1.120 370 V CA -0.862 61.481 62.300 0.072 0.000 0.980 370 V CB 2.315 34.165 31.823 0.044 0.000 1.033 370 V HN 0.680 nan 8.190 nan 0.000 0.429 371 I N 2.601 123.357 120.570 0.309 0.000 2.499 371 I HA 0.643 4.813 4.170 -0.000 0.000 0.288 371 I C -0.385 175.904 176.117 0.288 0.000 1.048 371 I CA -0.408 61.093 61.300 0.334 0.000 1.062 371 I CB 2.504 40.791 38.000 0.478 0.000 1.238 371 I HN 0.942 nan 8.210 nan 0.000 0.426 372 T N 2.375 117.053 114.554 0.207 0.000 2.864 372 T HA 0.633 4.983 4.350 -0.000 0.000 0.299 372 T C -0.647 174.096 174.700 0.072 0.000 1.011 372 T CA -0.844 61.317 62.100 0.102 0.000 0.975 372 T CB 1.242 70.204 68.868 0.158 0.000 0.962 372 T HN 0.524 nan 8.240 nan 0.000 0.448 373 K N 2.625 123.043 120.400 0.031 0.000 2.480 373 K HA 0.729 5.049 4.320 -0.000 0.000 0.258 373 K C -1.340 175.245 176.600 -0.025 0.000 0.990 373 K CA -1.017 55.337 56.287 0.111 0.000 0.857 373 K CB 3.050 35.746 32.500 0.326 0.000 1.384 373 K HN 0.637 nan 8.250 nan 0.000 0.446 374 M N 0.724 120.351 119.600 0.044 0.000 2.378 374 M HA 0.588 5.068 4.480 -0.000 0.000 0.289 374 M C -1.407 174.892 176.300 -0.001 0.000 1.136 374 M CA -0.143 55.132 55.300 -0.042 0.000 0.917 374 M CB 2.345 34.974 32.600 0.049 0.000 1.669 374 M HN 0.828 nan 8.290 nan 0.000 0.461 375 G N 2.507 111.185 108.800 -0.204 0.000 2.338 375 G HA2 0.173 4.133 3.960 -0.000 0.000 0.295 375 G HA3 0.173 4.133 3.960 -0.000 0.000 0.295 375 G C -0.858 173.911 174.900 -0.219 0.000 1.461 375 G CA -0.719 44.318 45.100 -0.104 0.000 0.817 375 G HN 0.770 nan 8.290 nan 0.000 0.556 376 K N -0.249 120.177 120.400 0.043 0.000 2.097 376 K HA -0.047 4.273 4.320 -0.000 0.000 0.206 376 K C 2.272 179.027 176.600 0.258 0.000 1.049 376 K CA 2.153 58.529 56.287 0.148 0.000 0.933 376 K CB -0.105 32.579 32.500 0.306 0.000 0.717 376 K HN 0.687 nan 8.250 nan 0.000 0.442 377 W N 1.118 122.564 121.300 0.243 0.000 2.305 377 W HA -0.233 4.427 4.660 -0.000 0.000 0.308 377 W C 1.701 178.343 176.519 0.204 0.000 1.226 377 W CA 1.166 58.644 57.345 0.221 0.000 1.253 377 W CB -1.042 28.446 29.460 0.047 0.000 1.146 377 W HN 0.027 nan 8.180 nan 0.000 0.507 378 A N 1.062 123.338 122.820 -0.907 0.000 1.972 378 A HA -0.281 4.039 4.320 -0.000 0.000 0.219 378 A C 2.217 179.666 177.584 -0.226 0.000 1.169 378 A CA 1.855 53.386 52.037 -0.843 0.000 0.635 378 A CB -1.592 16.664 19.000 -1.240 0.000 0.810 378 A HN 0.653 nan 8.150 nan 0.000 0.446 379 H N -1.807 117.094 119.070 -0.281 0.000 2.357 379 H HA -0.170 4.386 4.556 -0.000 0.000 0.301 379 H C 1.768 176.975 175.328 -0.202 0.000 1.082 379 H CA 2.049 57.938 56.048 -0.266 0.000 1.342 379 H CB -0.198 29.313 29.762 -0.418 0.000 1.389 379 H HN 0.560 nan 8.280 nan 0.000 0.511 380 Y N -0.533 119.669 120.300 -0.164 0.000 2.293 380 Y HA -0.135 4.415 4.550 -0.000 0.000 0.291 380 Y C 2.597 178.472 175.900 -0.042 0.000 1.137 380 Y CA 1.045 59.051 58.100 -0.156 0.000 1.202 380 Y CB -0.724 37.752 38.460 0.027 0.000 0.990 380 Y HN 0.154 nan 8.280 nan 0.000 0.537 381 F N 1.007 121.007 119.950 0.083 0.000 2.102 381 F HA -0.210 4.317 4.527 -0.000 0.000 0.298 381 F C 2.436 178.294 175.800 0.096 0.000 1.105 381 F CA 1.761 59.824 58.000 0.105 0.000 1.239 381 F CB -0.194 38.894 39.000 0.148 0.000 0.991 381 F HN -0.111 nan 8.300 nan 0.000 0.474 382 K N -0.057 120.471 120.400 0.214 0.000 2.020 382 K HA -0.191 4.129 4.320 -0.000 0.000 0.212 382 K C 1.919 178.581 176.600 0.102 0.000 1.050 382 K CA 2.523 58.913 56.287 0.172 0.000 0.929 382 K CB -0.890 31.666 32.500 0.093 0.000 0.714 382 K HN 0.227 nan 8.250 nan 0.000 0.443 383 T N 0.403 114.913 114.554 -0.074 0.000 2.684 383 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 383 T C 1.868 176.538 174.700 -0.050 0.000 1.036 383 T CA 1.468 63.513 62.100 -0.091 0.000 1.148 383 T CB -0.597 68.156 68.868 -0.191 0.000 0.863 383 T HN 0.426 nan 8.240 nan 0.000 0.436 384 A N 1.110 123.891 122.820 -0.065 0.000 1.908 384 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 384 A C 2.030 179.578 177.584 -0.061 0.000 1.181 384 A CA 1.481 53.455 52.037 -0.104 0.000 0.627 384 A CB -1.012 17.863 19.000 -0.207 0.000 0.818 384 A HN 0.478 nan 8.150 nan 0.000 0.445 385 F N 0.862 120.715 119.950 -0.161 0.000 2.171 385 F HA -0.141 4.386 4.527 -0.000 0.000 0.300 385 F C 2.165 178.007 175.800 0.071 0.000 1.090 385 F CA 1.988 59.999 58.000 0.018 0.000 1.293 385 F CB -0.313 38.743 39.000 0.095 0.000 1.013 385 F HN 0.479 nan 8.300 nan 0.000 0.486 386 E N 0.307 120.447 120.200 -0.101 0.000 2.070 386 E HA -0.259 4.091 4.350 -0.000 0.000 0.197 386 E C 2.107 178.398 176.600 -0.516 0.000 1.004 386 E CA 1.562 57.654 56.400 -0.512 0.000 0.805 386 E CB -0.035 29.544 29.700 -0.202 0.000 0.744 386 E HN 0.229 nan 8.360 nan 0.000 0.451 387 K N 0.089 120.350 120.400 -0.231 0.000 2.026 387 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 387 K C 2.140 178.702 176.600 -0.063 0.000 1.048 387 K CA 1.322 57.531 56.287 -0.130 0.000 0.929 387 K CB -0.935 31.523 32.500 -0.069 0.000 0.713 387 K HN 0.325 nan 8.250 nan 0.000 0.439 388 Y N 0.791 120.972 120.300 -0.200 0.000 2.128 388 Y HA -0.244 4.306 4.550 -0.000 0.000 0.284 388 Y C 2.221 178.059 175.900 -0.103 0.000 1.154 388 Y CA 1.343 59.367 58.100 -0.127 0.000 1.149 388 Y CB -0.735 37.649 38.460 -0.126 0.000 0.976 388 Y HN 0.014 nan 8.280 nan 0.000 0.505 389 F N -0.119 119.434 119.950 -0.663 0.000 2.146 389 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 389 F C 2.094 177.631 175.800 -0.439 0.000 1.096 389 F CA 1.578 59.159 58.000 -0.699 0.000 1.275 389 F CB -0.425 38.117 39.000 -0.763 0.000 1.008 389 F HN 0.039 nan 8.300 nan 0.000 0.480 390 L N -1.379 119.691 121.223 -0.254 0.000 2.083 390 L HA -0.238 4.102 4.340 -0.000 0.000 0.209 390 L C 2.243 179.026 176.870 -0.145 0.000 1.083 390 L CA 1.616 56.368 54.840 -0.146 0.000 0.752 390 L CB -0.866 41.123 42.059 -0.118 0.000 0.899 390 L HN 0.427 nan 8.230 nan 0.000 0.433 391 W N 1.336 122.472 121.300 -0.273 0.000 2.355 391 W HA -0.210 4.450 4.660 -0.000 0.000 0.309 391 W C 2.499 178.846 176.519 -0.286 0.000 1.206 391 W CA 1.468 58.685 57.345 -0.213 0.000 1.284 391 W CB -0.000 29.374 29.460 -0.142 0.000 1.145 391 W HN -0.108 nan 8.180 nan 0.000 0.502 392 K N -0.167 120.000 120.400 -0.388 0.000 2.063 392 K HA -0.210 4.110 4.320 -0.000 0.000 0.208 392 K C 1.804 178.027 176.600 -0.628 0.000 1.048 392 K CA 2.021 57.911 56.287 -0.661 0.000 0.928 392 K CB -0.883 31.165 32.500 -0.753 0.000 0.713 392 K HN 0.130 nan 8.250 nan 0.000 0.442 393 V N 1.471 121.021 119.914 -0.606 0.000 2.255 393 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 393 V C 2.179 178.164 176.094 -0.181 0.000 1.051 393 V CA 1.741 63.790 62.300 -0.419 0.000 1.018 393 V CB -0.476 30.989 31.823 -0.597 0.000 0.641 393 V HN 0.304 nan 8.190 nan 0.000 0.445 394 R N 0.095 120.443 120.500 -0.253 0.000 2.237 394 R HA -0.070 4.270 4.340 -0.000 0.000 0.219 394 R C 1.341 177.520 176.300 -0.201 0.000 1.080 394 R CA 1.337 57.341 56.100 -0.160 0.000 0.995 394 R CB -0.227 29.974 30.300 -0.165 0.000 0.875 394 R HN 0.575 nan 8.270 nan 0.000 0.462 395 N N -1.420 116.942 118.700 -0.564 0.000 2.184 395 N HA 0.110 4.850 4.740 -0.000 0.000 0.206 395 N C 0.426 175.428 175.510 -0.847 0.000 1.151 395 N CA 0.596 53.233 53.050 -0.688 0.000 0.878 395 N CB 1.765 39.448 38.487 -1.340 0.000 1.014 395 N HN 0.232 nan 8.380 nan 0.000 0.512 396 G N 0.657 108.660 108.800 -1.328 0.000 2.141 396 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.242 396 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.242 396 G C -0.267 173.845 174.900 -1.313 0.000 0.982 396 G CA -0.164 43.539 45.100 -2.328 0.000 0.662 396 G HN 0.376 nan 8.290 nan 0.000 0.527 397 N N 0.109 118.379 118.700 -0.717 0.000 2.581 397 N HA 0.410 5.150 4.740 -0.000 0.000 0.279 397 N C 1.065 176.417 175.510 -0.265 0.000 1.124 397 N CA -0.833 51.993 53.050 -0.373 0.000 0.833 397 N CB 0.654 38.978 38.487 -0.271 0.000 1.338 397 N HN -0.086 nan 8.380 nan 0.000 0.533 398 I N 0.765 121.231 120.570 -0.173 0.000 3.251 398 I HA 0.137 4.307 4.170 -0.000 0.000 0.277 398 I C 0.860 176.889 176.117 -0.147 0.000 1.268 398 I CA 0.500 61.644 61.300 -0.260 0.000 1.449 398 I CB -0.861 36.982 38.000 -0.262 0.000 1.083 398 I HN 0.526 nan 8.210 nan 0.000 0.464 399 A N 2.268 125.027 122.820 -0.103 0.000 3.297 399 A HA 0.554 4.874 4.320 -0.000 0.000 0.304 399 A C -2.445 175.098 177.584 -0.068 0.000 0.963 399 A CA -1.037 50.962 52.037 -0.063 0.000 0.935 399 A CB -0.365 18.611 19.000 -0.041 0.000 1.093 399 A HN -0.039 nan 8.150 nan 0.000 0.480 400 P HA 0.071 nan 4.420 nan 0.000 0.268 400 P C 1.301 178.531 177.300 -0.117 0.000 1.205 400 P CA 0.375 63.452 63.100 -0.039 0.000 0.771 400 P CB 1.129 32.849 31.700 0.033 0.000 0.858 401 S N 2.829 118.539 115.700 0.016 0.000 2.383 401 S HA -0.242 4.228 4.470 -0.000 0.000 0.229 401 S C 1.726 176.341 174.600 0.025 0.000 1.030 401 S CA 1.345 59.560 58.200 0.025 0.000 1.002 401 S CB -1.566 61.678 63.200 0.073 0.000 0.829 401 S HN 0.561 nan 8.310 nan 0.000 0.467 402 F N 2.094 122.084 119.950 0.067 0.000 2.216 402 F HA 0.137 4.664 4.527 -0.000 0.000 0.300 402 F C 2.258 178.104 175.800 0.078 0.000 1.085 402 F CA 1.124 59.160 58.000 0.060 0.000 1.326 402 F CB -0.744 38.285 39.000 0.049 0.000 1.027 402 F HN 0.262 nan 8.300 nan 0.000 0.497 403 E N 0.699 120.364 120.200 -0.892 0.000 2.077 403 E HA -0.290 4.060 4.350 -0.000 0.000 0.193 403 E C 2.245 178.766 176.600 -0.131 0.000 0.989 403 E CA 1.413 57.500 56.400 -0.521 0.000 0.800 403 E CB -0.283 29.153 29.700 -0.440 0.000 0.746 403 E HN 0.735 nan 8.360 nan 0.000 0.452 404 E N 0.455 120.594 120.200 -0.103 0.000 2.077 404 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 404 E C 1.931 178.515 176.600 -0.027 0.000 0.989 404 E CA 1.149 57.526 56.400 -0.040 0.000 0.800 404 E CB 0.138 29.819 29.700 -0.032 0.000 0.746 404 E HN 0.136 nan 8.360 nan 0.000 0.452 405 K N 0.096 120.497 120.400 0.002 0.000 2.026 405 K HA -0.111 4.209 4.320 -0.000 0.000 0.208 405 K C 2.223 178.852 176.600 0.048 0.000 1.048 405 K CA 1.360 57.662 56.287 0.024 0.000 0.929 405 K CB -0.104 32.435 32.500 0.066 0.000 0.713 405 K HN 0.057 nan 8.250 nan 0.000 0.439 406 V N 2.174 122.158 119.914 0.117 0.000 2.287 406 V HA -0.242 3.877 4.120 -0.000 0.000 0.248 406 V C 2.279 178.505 176.094 0.220 0.000 1.053 406 V CA 1.649 64.079 62.300 0.216 0.000 1.027 406 V CB -0.427 31.569 31.823 0.287 0.000 0.646 406 V HN 0.275 nan 8.190 nan 0.000 0.447 407 L N -0.226 121.069 121.223 0.120 0.000 2.131 407 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 407 L C 2.556 179.436 176.870 0.017 0.000 1.092 407 L CA 1.761 56.648 54.840 0.078 0.000 0.759 407 L CB -0.505 41.584 42.059 0.050 0.000 0.903 407 L HN 0.466 nan 8.230 nan 0.000 0.435 408 E N 0.899 121.075 120.200 -0.039 0.000 2.072 408 E HA -0.200 4.150 4.350 -0.000 0.000 0.190 408 E C 2.342 178.893 176.600 -0.081 0.000 0.982 408 E CA 0.993 57.322 56.400 -0.119 0.000 0.803 408 E CB 0.023 29.600 29.700 -0.204 0.000 0.755 408 E HN 0.454 nan 8.360 nan 0.000 0.453 409 I N 0.041 120.563 120.570 -0.079 0.000 2.226 409 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 409 I C 1.861 177.811 176.117 -0.278 0.000 1.100 409 I CA 1.199 62.380 61.300 -0.198 0.000 1.374 409 I CB -0.142 37.692 38.000 -0.276 0.000 1.057 409 I HN 0.139 nan 8.210 nan 0.000 0.413 410 F N -0.555 119.351 119.950 -0.073 0.000 2.374 410 F HA 0.112 4.639 4.527 -0.000 0.000 0.291 410 F C 1.818 177.532 175.800 -0.144 0.000 1.084 410 F CA 0.904 58.840 58.000 -0.106 0.000 1.413 410 F CB 0.116 39.049 39.000 -0.112 0.000 1.099 410 F HN -0.141 nan 8.300 nan 0.000 0.534 411 L N -0.968 120.261 121.223 0.009 0.000 2.966 411 L HA 0.208 4.548 4.340 -0.000 0.000 0.262 411 L C 0.077 176.943 176.870 -0.007 0.000 1.165 411 L CA -0.003 54.751 54.840 -0.142 0.000 0.978 411 L CB 0.097 41.861 42.059 -0.492 0.000 1.337 411 L HN -0.065 nan 8.230 nan 0.000 0.563 412 K N -0.052 120.355 120.400 0.011 0.000 3.117 412 K HA -0.136 4.184 4.320 -0.000 0.000 0.269 412 K C -0.343 176.309 176.600 0.085 0.000 1.098 412 K CA 0.104 56.420 56.287 0.048 0.000 0.785 412 K CB -1.967 30.594 32.500 0.102 0.000 1.242 412 K HN 0.046 nan 8.250 nan 0.000 0.491 413 V N 1.846 121.774 119.914 0.024 0.000 2.498 413 V HA 0.146 4.266 4.120 -0.000 0.000 0.279 413 V C 0.585 176.619 176.094 -0.099 0.000 1.048 413 V CA -0.332 62.012 62.300 0.074 0.000 0.967 413 V CB 1.013 32.904 31.823 0.113 0.000 0.988 413 V HN 0.220 nan 8.190 nan 0.000 0.473 414 H N 6.882 126.006 119.070 0.090 0.000 2.638 414 H HA 0.270 4.826 4.556 -0.000 0.000 0.317 414 H C -1.689 173.676 175.328 0.062 0.000 1.006 414 H CA -1.538 54.548 56.048 0.064 0.000 1.222 414 H CB 2.290 32.086 29.762 0.058 0.000 1.419 414 H HN 0.467 nan 8.280 nan 0.000 0.489 415 P HA -0.072 nan 4.420 nan 0.000 0.217 415 P C 0.648 177.996 177.300 0.080 0.000 1.150 415 P CA 1.106 64.257 63.100 0.084 0.000 0.832 415 P CB 0.947 32.674 31.700 0.045 0.000 0.787 416 I N -3.917 116.701 120.570 0.079 0.000 2.828 416 I HA 0.559 4.729 4.170 -0.000 0.000 0.302 416 I C -1.063 175.147 176.117 0.155 0.000 1.101 416 I CA -1.327 60.027 61.300 0.090 0.000 1.031 416 I CB 2.962 40.961 38.000 -0.000 0.000 1.231 416 I HN -0.295 nan 8.210 nan 0.000 0.427 417 E N 3.903 124.224 120.200 0.202 0.000 2.222 417 E HA 0.399 4.749 4.350 -0.000 0.000 0.267 417 E C -1.275 175.442 176.600 0.195 0.000 0.884 417 E CA -1.127 55.377 56.400 0.174 0.000 0.764 417 E CB 3.080 32.838 29.700 0.097 0.000 1.169 417 E HN 0.493 nan 8.360 nan 0.000 0.413 418 L N 2.224 123.495 121.223 0.079 0.000 2.559 418 L HA -0.015 4.325 4.340 -0.000 0.000 0.274 418 L C -0.679 176.128 176.870 -0.105 0.000 1.205 418 L CA 0.327 55.052 54.840 -0.190 0.000 0.907 418 L CB 0.194 42.155 42.059 -0.164 0.000 1.153 418 L HN 0.654 nan 8.230 nan 0.000 0.490 419 c N 6.469 124.987 118.600 -0.136 0.000 2.271 419 c HA 0.323 4.893 4.570 -0.000 0.000 0.323 419 c C 1.479 175.536 174.090 -0.055 0.000 1.245 419 c CA -0.815 55.486 56.329 -0.047 0.000 1.548 419 c CB -0.018 42.500 42.510 0.012 0.000 2.214 419 c HN 1.058 nan 8.230 nan 0.000 0.477 420 K N 2.433 122.811 120.400 -0.037 0.000 2.147 420 K HA -0.062 4.258 4.320 -0.000 0.000 0.205 420 K C -0.039 176.550 176.600 -0.018 0.000 1.049 420 K CA 1.404 57.672 56.287 -0.031 0.000 0.936 420 K CB 0.136 32.623 32.500 -0.022 0.000 0.722 420 K HN 0.631 nan 8.250 nan 0.000 0.446 421 D N -0.529 119.866 120.400 -0.007 0.000 2.479 421 D HA 0.185 4.825 4.640 -0.000 0.000 0.246 421 D C -0.055 176.250 176.300 0.008 0.000 1.336 421 D CA -0.789 53.211 54.000 -0.001 0.000 0.967 421 D CB 1.125 41.923 40.800 -0.002 0.000 1.275 421 D HN 0.119 nan 8.370 nan 0.000 0.577 422 c N 2.489 121.098 118.600 0.015 0.000 2.432 422 c HA 0.024 4.594 4.570 -0.000 0.000 0.280 422 c C 1.230 175.324 174.090 0.007 0.000 1.353 422 c CA 0.126 56.471 56.329 0.027 0.000 1.766 422 c CB -0.939 41.597 42.510 0.043 0.000 1.924 422 c HN 0.599 nan 8.230 nan 0.000 0.509 423 E N 0.315 120.512 120.200 -0.004 0.000 2.328 423 E HA 0.416 4.766 4.350 -0.000 0.000 0.265 423 E C 0.352 176.943 176.600 -0.017 0.000 1.057 423 E CA 0.507 56.898 56.400 -0.016 0.000 0.916 423 E CB -0.075 29.615 29.700 -0.016 0.000 0.993 423 E HN 0.570 nan 8.360 nan 0.000 0.446 424 G N 2.217 111.000 108.800 -0.027 0.000 2.352 424 G HA2 0.329 4.289 3.960 -0.000 0.000 0.302 424 G HA3 0.329 4.289 3.960 -0.000 0.000 0.302 424 G C -1.148 173.724 174.900 -0.046 0.000 1.370 424 G CA -0.521 44.562 45.100 -0.027 0.000 0.918 424 G HN 0.666 nan 8.290 nan 0.000 0.610 425 A N 0.966 123.760 122.820 -0.043 0.000 2.407 425 A HA 0.740 5.060 4.320 -0.000 0.000 0.248 425 A C -1.783 175.748 177.584 -0.087 0.000 1.082 425 A CA -0.786 51.212 52.037 -0.064 0.000 0.785 425 A CB -0.061 18.915 19.000 -0.039 0.000 1.020 425 A HN 0.585 nan 8.150 nan 0.000 0.489 426 P HA 0.244 nan 4.420 nan 0.000 0.271 426 P C 0.873 178.155 177.300 -0.029 0.000 1.216 426 P CA 1.415 64.372 63.100 -0.238 0.000 0.771 426 P CB 0.979 32.286 31.700 -0.655 0.000 0.864 427 G N 2.115 110.966 108.800 0.086 0.000 2.234 427 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.235 427 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.235 427 G C 0.338 175.276 174.900 0.064 0.000 0.997 427 G CA 0.280 45.444 45.100 0.107 0.000 0.623 427 G HN 0.867 nan 8.290 nan 0.000 0.514 428 S N 0.314 116.036 115.700 0.037 0.000 2.585 428 S HA 0.698 5.168 4.470 -0.000 0.000 0.273 428 S C 0.271 174.892 174.600 0.036 0.000 1.339 428 S CA -0.208 58.008 58.200 0.027 0.000 1.028 428 S CB 1.564 64.770 63.200 0.010 0.000 0.906 428 S HN 0.478 nan 8.310 nan 0.000 0.528 429 R N 1.030 121.548 120.500 0.029 0.000 2.298 429 R HA 0.450 4.790 4.340 -0.000 0.000 0.310 429 R C 0.241 176.556 176.300 0.024 0.000 1.068 429 R CA -0.296 55.822 56.100 0.031 0.000 0.957 429 R CB -0.073 30.241 30.300 0.025 0.000 1.003 429 R HN 0.907 nan 8.270 nan 0.000 0.454 430 c N 0.000 118.617 118.600 0.028 0.000 2.653 430 c HA 0.000 4.570 4.570 -0.000 0.000 0.325 430 c CA 0.000 56.340 56.329 0.019 0.000 1.963 430 c CB 0.000 42.523 42.510 0.022 0.000 2.134 430 c HN 0.000 nan 8.230 nan 0.000 0.568