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 2c7g_1_A DATA FIRST_RESID 2 DATA SEQUENCE RPYYIAIVGS GPSAFFAAAS LLKAADTTED LDMAVDMLEM LPTPWGLVRS DATA SEQUENCE GVAPDQPKIK SISKQFEKTA EDPRFRFFGN VVVGEHVQPG ELSERYDAVI DATA SEQUENCE YAVGAQSDRM LNIPGEDLPG SIAAVDFVGW YNAHPHFEQV SPDLSGARAV DATA SEQUENCE VIGNGNVALD VARILLTDPD VLARTDIADH ALESLRPRGI QEVVIVGRRG DATA SEQUENCE PLQAAFTTLE LRELADLDGV DVVIDPAELD GITDEDAAAV GKVCKQNIKV DATA SEQUENCE LRGYADREPR PGHRRMVFRF LTSPIEIKGK RKVERIVLGR NELVSDGSGR DATA SEQUENCE VAAKDTGERE ELPAQLVVRS VGYRGVPTPG LPFDDQSGTI PNVGGRINGS DATA SEQUENCE PNEYVVGWIK RGPTGVIGTN KKDAQDTVDT LIKNLGNAKE GAECKSFXXD DATA SEQUENCE HADQVADWLA ARQPKLVTSA HWQVIDAFER AAGEPHGRPR VKLASLAELL DATA SEQUENCE RIGLG 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 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.189 176.300 -0.185 0.000 0.893 2 R CA 0.000 56.069 56.100 -0.051 0.000 0.921 2 R CB 0.000 30.342 30.300 0.070 0.000 0.687 3 P HA 0.240 nan 4.420 nan 0.000 0.278 3 P C -1.053 175.975 177.300 -0.453 0.000 1.266 3 P CA -0.430 62.457 63.100 -0.355 0.000 0.807 3 P CB 0.401 31.896 31.700 -0.342 0.000 1.094 4 Y N -0.298 119.884 120.300 -0.197 0.000 2.425 4 Y HA 0.138 4.686 4.550 -0.003 0.000 0.331 4 Y C 0.294 176.076 175.900 -0.196 0.000 1.157 4 Y CA 0.593 58.640 58.100 -0.088 0.000 1.372 4 Y CB 0.148 38.617 38.460 0.014 0.000 1.253 4 Y HN 0.208 nan 8.280 nan 0.000 0.536 5 Y N 3.754 124.263 120.300 0.349 0.000 2.342 5 Y HA 0.406 4.954 4.550 -0.003 0.000 0.338 5 Y C -0.389 175.746 175.900 0.391 0.000 0.965 5 Y CA -0.786 57.484 58.100 0.283 0.000 1.159 5 Y CB 0.609 39.127 38.460 0.096 0.000 1.157 5 Y HN 0.241 nan 8.280 nan 0.000 0.486 6 I N 3.211 124.031 120.570 0.416 0.000 2.406 6 I HA 0.556 4.724 4.170 -0.003 0.000 0.290 6 I C -0.015 176.093 176.117 -0.016 0.000 0.999 6 I CA -1.232 60.190 61.300 0.204 0.000 1.124 6 I CB 1.274 39.320 38.000 0.077 0.000 1.289 6 I HN 0.616 nan 8.210 nan 0.000 0.441 7 A N 7.689 130.270 122.820 -0.397 0.000 2.305 7 A HA 0.833 5.151 4.320 -0.003 0.000 0.322 7 A C -0.363 176.982 177.584 -0.399 0.000 1.187 7 A CA -0.456 51.163 52.037 -0.698 0.000 0.825 7 A CB 0.694 18.898 19.000 -1.326 0.000 1.164 7 A HN 0.658 nan 8.150 nan 0.000 0.498 8 I N 2.618 122.990 120.570 -0.330 0.000 2.406 8 I HA 0.320 4.488 4.170 -0.003 0.000 0.290 8 I C -0.768 175.177 176.117 -0.288 0.000 0.999 8 I CA -0.851 60.283 61.300 -0.275 0.000 1.124 8 I CB 2.032 39.913 38.000 -0.198 0.000 1.289 8 I HN 0.274 nan 8.210 nan 0.000 0.441 9 V N 5.540 125.258 119.914 -0.326 0.000 2.333 9 V HA 0.812 4.930 4.120 -0.003 0.000 0.274 9 V C 0.507 176.545 176.094 -0.093 0.000 1.028 9 V CA -0.228 61.928 62.300 -0.240 0.000 0.851 9 V CB 0.448 32.057 31.823 -0.357 0.000 1.000 9 V HN 1.093 nan 8.190 nan 0.000 0.456 10 G N 4.126 112.891 108.800 -0.059 0.000 2.587 10 G HA2 0.095 4.053 3.960 -0.003 0.000 0.686 10 G HA3 0.095 4.053 3.960 -0.003 0.000 0.686 10 G C -0.144 174.732 174.900 -0.039 0.000 1.236 10 G CA -0.206 44.888 45.100 -0.010 0.000 0.820 10 G HN 1.503 nan 8.290 nan 0.000 0.645 11 S N -0.163 115.545 115.700 0.014 0.000 3.021 11 S HA 0.635 5.103 4.470 -0.003 0.000 0.252 11 S C 1.025 175.698 174.600 0.122 0.000 0.996 11 S CA 0.814 59.038 58.200 0.040 0.000 1.084 11 S CB 0.423 63.763 63.200 0.233 0.000 1.021 11 S HN 2.058 nan 8.310 nan 0.000 0.566 12 G N 2.238 111.041 108.800 0.005 0.000 2.510 12 G HA2 0.520 4.478 3.960 -0.003 0.000 0.280 12 G HA3 0.520 4.478 3.960 -0.003 0.000 0.280 12 G C -1.775 172.968 174.900 -0.262 0.000 1.386 12 G CA -1.707 43.360 45.100 -0.056 0.000 1.047 12 G HN 0.166 nan 8.290 nan 0.000 0.527 13 P HA -0.161 nan 4.420 nan 0.000 0.215 13 P C 2.412 179.437 177.300 -0.459 0.000 1.157 13 P CA 2.589 65.344 63.100 -0.575 0.000 0.874 13 P CB -0.024 31.568 31.700 -0.180 0.000 0.790 14 S N -0.575 115.055 115.700 -0.116 0.000 2.382 14 S HA -0.144 4.324 4.470 -0.003 0.000 0.228 14 S C 2.106 176.705 174.600 -0.002 0.000 1.027 14 S CA 1.276 59.515 58.200 0.064 0.000 0.991 14 S CB -1.497 61.765 63.200 0.103 0.000 0.823 14 S HN 0.125 nan 8.310 nan 0.000 0.469 15 A N 1.074 123.830 122.820 -0.107 0.000 1.877 15 A HA 0.124 4.442 4.320 -0.003 0.000 0.216 15 A C 1.934 179.367 177.584 -0.252 0.000 1.186 15 A CA 1.365 53.302 52.037 -0.167 0.000 0.620 15 A CB -1.104 17.765 19.000 -0.218 0.000 0.822 15 A HN 0.528 nan 8.150 nan 0.000 0.443 16 F N -1.395 118.323 119.950 -0.385 0.000 2.234 16 F HA -0.040 4.485 4.527 -0.003 0.000 0.299 16 F C 1.972 177.661 175.800 -0.185 0.000 1.087 16 F CA 1.027 58.769 58.000 -0.429 0.000 1.340 16 F CB -0.394 37.983 39.000 -1.040 0.000 1.031 16 F HN 0.202 nan 8.300 nan 0.000 0.500 17 F N 0.010 120.001 119.950 0.068 0.000 2.146 17 F HA -0.116 4.409 4.527 -0.003 0.000 0.298 17 F C 2.499 178.331 175.800 0.054 0.000 1.096 17 F CA 0.711 58.764 58.000 0.088 0.000 1.275 17 F CB -1.572 37.475 39.000 0.080 0.000 1.008 17 F HN -0.068 nan 8.300 nan 0.000 0.480 18 A N 0.192 123.130 122.820 0.197 0.000 1.883 18 A HA -0.109 4.210 4.320 -0.003 0.000 0.217 18 A C 2.499 180.130 177.584 0.078 0.000 1.186 18 A CA 2.148 54.244 52.037 0.098 0.000 0.624 18 A CB -1.375 17.648 19.000 0.040 0.000 0.822 18 A HN 0.300 nan 8.150 nan 0.000 0.444 19 A N -0.163 122.695 122.820 0.064 0.000 1.883 19 A HA 0.077 4.396 4.320 -0.003 0.000 0.217 19 A C 2.539 180.206 177.584 0.138 0.000 1.186 19 A CA 2.479 54.579 52.037 0.105 0.000 0.624 19 A CB -1.140 17.937 19.000 0.128 0.000 0.822 19 A HN 1.168 nan 8.150 nan 0.000 0.444 20 A N -0.739 122.179 122.820 0.164 0.000 1.902 20 A HA -0.081 4.237 4.320 -0.003 0.000 0.217 20 A C 2.454 180.112 177.584 0.123 0.000 1.181 20 A CA 2.135 54.269 52.037 0.162 0.000 0.623 20 A CB -0.894 18.239 19.000 0.222 0.000 0.818 20 A HN 0.465 nan 8.150 nan 0.000 0.443 21 S N -0.161 115.609 115.700 0.117 0.000 2.368 21 S HA -0.105 4.363 4.470 -0.003 0.000 0.225 21 S C 1.835 176.468 174.600 0.056 0.000 1.030 21 S CA 1.494 59.739 58.200 0.075 0.000 0.999 21 S CB -0.471 62.766 63.200 0.062 0.000 0.844 21 S HN 0.503 nan 8.310 nan 0.000 0.459 22 L N 0.980 122.237 121.223 0.056 0.000 2.017 22 L HA -0.111 4.227 4.340 -0.003 0.000 0.208 22 L C 2.227 179.137 176.870 0.067 0.000 1.073 22 L CA 1.153 56.022 54.840 0.048 0.000 0.745 22 L CB -0.587 41.500 42.059 0.048 0.000 0.894 22 L HN 0.280 nan 8.230 nan 0.000 0.432 23 L N -0.717 120.558 121.223 0.086 0.000 2.093 23 L HA -0.198 4.140 4.340 -0.003 0.000 0.208 23 L C 2.917 179.828 176.870 0.069 0.000 1.085 23 L CA 1.009 55.901 54.840 0.087 0.000 0.755 23 L CB -0.593 41.530 42.059 0.108 0.000 0.904 23 L HN 0.112 nan 8.230 nan 0.000 0.435 24 K N 0.387 120.826 120.400 0.065 0.000 2.097 24 K HA -0.064 4.254 4.320 -0.003 0.000 0.205 24 K C 2.183 178.809 176.600 0.044 0.000 1.050 24 K CA 1.076 57.395 56.287 0.052 0.000 0.938 24 K CB -0.430 32.101 32.500 0.051 0.000 0.718 24 K HN 0.438 nan 8.250 nan 0.000 0.442 25 A N 0.627 123.474 122.820 0.044 0.000 1.877 25 A HA 0.046 4.364 4.320 -0.003 0.000 0.216 25 A C 2.548 180.160 177.584 0.047 0.000 1.186 25 A CA 2.153 54.213 52.037 0.040 0.000 0.620 25 A CB -1.218 17.803 19.000 0.034 0.000 0.822 25 A HN 0.681 nan 8.150 nan 0.000 0.443 26 A N 0.034 122.887 122.820 0.055 0.000 1.877 26 A HA -0.198 4.120 4.320 -0.003 0.000 0.216 26 A C 1.735 179.344 177.584 0.042 0.000 1.186 26 A CA 1.953 54.023 52.037 0.054 0.000 0.620 26 A CB -0.674 18.361 19.000 0.057 0.000 0.822 26 A HN 0.446 nan 8.150 nan 0.000 0.443 27 D N -0.652 119.773 120.400 0.042 0.000 2.218 27 D HA -0.084 4.554 4.640 -0.003 0.000 0.204 27 D C 1.812 178.130 176.300 0.030 0.000 0.976 27 D CA 1.848 55.869 54.000 0.035 0.000 0.853 27 D CB -0.262 40.561 40.800 0.038 0.000 0.939 27 D HN 0.647 nan 8.370 nan 0.000 0.481 28 T N -3.689 110.883 114.554 0.030 0.000 3.044 28 T HA 0.186 4.534 4.350 -0.003 0.000 0.260 28 T C 0.431 175.146 174.700 0.025 0.000 1.019 28 T CA -0.339 61.776 62.100 0.025 0.000 0.921 28 T CB 0.395 69.277 68.868 0.024 0.000 1.053 28 T HN -0.215 nan 8.240 nan 0.000 0.533 29 T N 2.222 116.793 114.554 0.029 0.000 2.840 29 T HA 0.670 5.018 4.350 -0.003 0.000 0.287 29 T C -0.165 174.551 174.700 0.027 0.000 0.991 29 T CA -0.580 61.538 62.100 0.030 0.000 0.964 29 T CB 1.433 70.325 68.868 0.040 0.000 0.954 29 T HN 0.537 nan 8.240 nan 0.000 0.438 30 E N 1.662 121.875 120.200 0.022 0.000 2.413 30 E HA 0.215 4.563 4.350 -0.003 0.000 0.263 30 E C 0.516 177.126 176.600 0.017 0.000 1.015 30 E CA -0.374 56.037 56.400 0.017 0.000 0.916 30 E CB -0.256 29.452 29.700 0.014 0.000 0.947 30 E HN 0.793 nan 8.360 nan 0.000 0.440 31 D N -0.868 119.537 120.400 0.007 0.000 2.772 31 D HA -0.159 4.479 4.640 -0.003 0.000 0.233 31 D C -0.390 175.910 176.300 -0.001 0.000 1.143 31 D CA 1.194 55.192 54.000 -0.004 0.000 0.700 31 D CB -1.070 39.730 40.800 -0.000 0.000 1.076 31 D HN 0.451 nan 8.370 nan 0.000 0.430 32 L N 0.815 122.044 121.223 0.011 0.000 2.482 32 L HA 0.421 4.759 4.340 -0.003 0.000 0.269 32 L C -1.376 175.509 176.870 0.024 0.000 0.967 32 L CA -0.253 54.611 54.840 0.040 0.000 0.851 32 L CB 1.876 43.989 42.059 0.090 0.000 1.242 32 L HN -0.164 nan 8.230 nan 0.000 0.404 33 D N 5.715 126.110 120.400 -0.010 0.000 2.671 33 D HA 0.601 5.239 4.640 -0.003 0.000 0.232 33 D C -0.931 175.370 176.300 0.001 0.000 1.114 33 D CA -0.383 53.606 54.000 -0.017 0.000 0.858 33 D CB 2.513 43.276 40.800 -0.062 0.000 1.544 33 D HN 0.345 nan 8.370 nan 0.000 0.471 34 M N 0.882 120.490 119.600 0.013 0.000 2.457 34 M HA 0.595 5.073 4.480 -0.003 0.000 0.300 34 M C -1.091 175.209 176.300 -0.001 0.000 1.141 34 M CA -0.746 54.576 55.300 0.036 0.000 0.901 34 M CB 1.995 34.644 32.600 0.081 0.000 1.687 34 M HN 0.463 nan 8.290 nan 0.000 0.449 35 A N 2.786 125.593 122.820 -0.023 0.000 2.343 35 A HA 0.784 5.102 4.320 -0.003 0.000 0.308 35 A C -1.089 176.572 177.584 0.128 0.000 1.092 35 A CA -0.613 51.448 52.037 0.041 0.000 0.751 35 A CB 1.237 20.232 19.000 -0.009 0.000 1.203 35 A HN 0.550 nan 8.150 nan 0.000 0.452 36 V N 3.058 123.038 119.914 0.110 0.000 2.409 36 V HA 0.382 4.500 4.120 -0.003 0.000 0.291 36 V C -1.051 174.988 176.094 -0.092 0.000 1.020 36 V CA -0.651 61.678 62.300 0.047 0.000 0.848 36 V CB 1.606 33.479 31.823 0.084 0.000 0.990 36 V HN 0.850 nan 8.190 nan 0.000 0.430 37 D N 4.792 125.168 120.400 -0.040 0.000 2.303 37 D HA 0.448 5.086 4.640 -0.003 0.000 0.236 37 D C -0.355 175.821 176.300 -0.206 0.000 1.068 37 D CA -0.129 53.836 54.000 -0.059 0.000 0.830 37 D CB 2.047 42.984 40.800 0.229 0.000 1.109 37 D HN 0.455 nan 8.370 nan 0.000 0.496 38 M N 3.391 122.810 119.600 -0.302 0.000 2.149 38 M HA 0.362 4.840 4.480 -0.003 0.000 0.342 38 M C -1.470 174.720 176.300 -0.183 0.000 1.068 38 M CA -0.596 54.554 55.300 -0.251 0.000 0.991 38 M CB 0.676 33.129 32.600 -0.246 0.000 1.596 38 M HN 0.167 nan 8.290 nan 0.000 0.439 39 L N 4.174 125.288 121.223 -0.182 0.000 2.287 39 L HA 0.548 4.886 4.340 -0.003 0.000 0.287 39 L C -0.621 176.142 176.870 -0.178 0.000 1.022 39 L CA -0.676 54.054 54.840 -0.184 0.000 0.814 39 L CB 1.340 43.306 42.059 -0.155 0.000 1.217 39 L HN 0.605 nan 8.230 nan 0.000 0.420 40 E N 3.084 123.133 120.200 -0.252 0.000 2.234 40 E HA 0.249 4.597 4.350 -0.003 0.000 0.266 40 E C 0.346 176.894 176.600 -0.087 0.000 0.877 40 E CA -0.647 55.675 56.400 -0.129 0.000 0.758 40 E CB 1.921 31.598 29.700 -0.039 0.000 1.170 40 E HN 0.614 nan 8.360 nan 0.000 0.415 41 M N 4.381 123.980 119.600 -0.002 0.000 2.117 41 M HA 0.026 4.504 4.480 -0.003 0.000 0.262 41 M C -0.387 175.930 176.300 0.027 0.000 1.065 41 M CA 1.319 56.648 55.300 0.048 0.000 1.114 41 M CB 0.071 32.737 32.600 0.110 0.000 1.361 41 M HN 0.504 nan 8.290 nan 0.000 0.408 42 L N 0.286 121.496 121.223 -0.022 0.000 2.439 42 L HA 0.233 4.571 4.340 -0.003 0.000 0.259 42 L C -1.690 175.178 176.870 -0.004 0.000 1.129 42 L CA -1.962 52.839 54.840 -0.064 0.000 0.803 42 L CB -0.164 41.790 42.059 -0.175 0.000 1.161 42 L HN -0.065 nan 8.230 nan 0.000 0.462 43 P HA -0.070 nan 4.420 nan 0.000 0.222 43 P C 0.038 177.426 177.300 0.146 0.000 1.147 43 P CA 0.898 64.054 63.100 0.094 0.000 0.790 43 P CB 0.079 31.825 31.700 0.077 0.000 0.780 44 T N -4.336 110.189 114.554 -0.048 0.000 2.888 44 T HA 0.572 4.920 4.350 -0.003 0.000 0.284 44 T C -2.871 171.492 174.700 -0.561 0.000 1.017 44 T CA -2.597 59.232 62.100 -0.452 0.000 1.022 44 T CB 2.239 70.880 68.868 -0.378 0.000 1.013 44 T HN -0.210 nan 8.240 nan 0.000 0.465 45 P HA 0.317 nan 4.420 nan 0.000 0.282 45 P C -0.320 176.661 177.300 -0.532 0.000 1.287 45 P CA -0.095 62.520 63.100 -0.808 0.000 0.792 45 P CB 0.329 31.280 31.700 -1.247 0.000 1.163 46 W N -2.819 118.418 121.300 -0.106 0.000 0.877 46 W HA -0.147 4.511 4.660 -0.004 0.000 0.234 46 W C 1.071 177.567 176.519 -0.038 0.000 0.977 46 W CA 0.920 58.232 57.345 -0.054 0.000 0.365 46 W CB -2.872 26.565 29.460 -0.038 0.000 1.982 46 W HN 0.925 nan 8.180 nan 0.000 1.041 47 G N 0.982 109.863 108.800 0.135 0.000 2.651 47 G HA2 -0.387 3.571 3.960 -0.003 0.000 0.315 47 G HA3 -0.387 3.571 3.960 -0.003 0.000 0.315 47 G C 0.880 175.830 174.900 0.083 0.000 1.258 47 G CA 1.271 46.418 45.100 0.078 0.000 1.002 47 G HN 0.458 nan 8.290 nan 0.000 0.551 48 L N 0.806 122.037 121.223 0.013 0.000 2.465 48 L HA 0.010 4.348 4.340 -0.003 0.000 0.224 48 L C 3.033 179.918 176.870 0.026 0.000 1.145 48 L CA 0.627 55.463 54.840 -0.007 0.000 0.834 48 L CB -0.387 41.577 42.059 -0.159 0.000 0.944 48 L HN 0.363 nan 8.230 nan 0.000 0.451 49 V N 0.052 120.005 119.914 0.065 0.000 2.407 49 V HA -0.296 3.822 4.120 -0.003 0.000 0.248 49 V C 2.650 178.824 176.094 0.132 0.000 1.055 49 V CA 1.971 64.319 62.300 0.081 0.000 1.049 49 V CB -0.569 31.314 31.823 0.099 0.000 0.662 49 V HN 0.507 nan 8.190 nan 0.000 0.455 50 R N 0.398 121.020 120.500 0.203 0.000 2.075 50 R HA -0.070 4.268 4.340 -0.003 0.000 0.220 50 R C 2.345 178.725 176.300 0.134 0.000 1.118 50 R CA 1.546 57.767 56.100 0.203 0.000 0.986 50 R CB -0.167 30.254 30.300 0.202 0.000 0.884 50 R HN 0.595 nan 8.270 nan 0.000 0.439 51 S N -1.706 114.069 115.700 0.124 0.000 2.535 51 S HA 0.196 4.664 4.470 -0.003 0.000 0.214 51 S C 1.337 176.003 174.600 0.110 0.000 0.980 51 S CA 0.103 58.389 58.200 0.144 0.000 0.907 51 S CB 1.276 64.629 63.200 0.254 0.000 0.790 51 S HN 0.442 nan 8.310 nan 0.000 0.510 52 G N 1.297 110.146 108.800 0.082 0.000 2.850 52 G HA2 0.322 4.280 3.960 -0.003 0.000 0.207 52 G HA3 0.322 4.280 3.960 -0.003 0.000 0.207 52 G C 0.118 175.067 174.900 0.081 0.000 1.174 52 G CA 0.079 45.210 45.100 0.052 0.000 0.844 52 G HN 0.351 nan 8.290 nan 0.000 0.635 53 V N 2.650 122.604 119.914 0.068 0.000 2.752 53 V HA 0.343 4.461 4.120 -0.003 0.000 0.306 53 V C 1.153 177.326 176.094 0.131 0.000 1.099 53 V CA -0.165 62.185 62.300 0.085 0.000 1.240 53 V CB 0.411 32.264 31.823 0.049 0.000 0.887 53 V HN 0.553 nan 8.190 nan 0.000 0.499 54 A N 8.343 131.253 122.820 0.151 0.000 2.445 54 A HA 0.388 4.706 4.320 -0.003 0.000 0.242 54 A C -0.607 177.036 177.584 0.098 0.000 1.075 54 A CA -0.894 51.250 52.037 0.179 0.000 0.777 54 A CB -0.077 19.004 19.000 0.135 0.000 1.013 54 A HN 0.755 nan 8.150 nan 0.000 0.493 55 P HA -0.133 nan 4.420 nan 0.000 0.222 55 P C 0.317 177.614 177.300 -0.004 0.000 1.147 55 P CA 1.332 64.445 63.100 0.022 0.000 0.790 55 P CB -0.065 31.624 31.700 -0.018 0.000 0.780 56 D N -0.918 119.474 120.400 -0.013 0.000 2.324 56 D HA -0.059 4.579 4.640 -0.003 0.000 0.235 56 D C 0.503 176.805 176.300 0.005 0.000 1.095 56 D CA 0.339 54.333 54.000 -0.011 0.000 0.871 56 D CB -0.400 40.388 40.800 -0.019 0.000 0.906 56 D HN 0.123 nan 8.370 nan 0.000 0.522 57 Q N 0.703 120.511 119.800 0.014 0.000 2.470 57 Q HA 0.183 4.521 4.340 -0.003 0.000 0.389 57 Q C -1.848 174.152 176.000 -0.001 0.000 0.888 57 Q CA -1.318 54.493 55.803 0.013 0.000 1.106 57 Q CB 1.569 30.325 28.738 0.029 0.000 1.368 57 Q HN 0.257 nan 8.270 nan 0.000 0.403 58 P HA -0.198 nan 4.420 nan 0.000 0.217 58 P C 1.410 178.684 177.300 -0.044 0.000 1.150 58 P CA 1.090 64.178 63.100 -0.021 0.000 0.832 58 P CB 0.345 32.034 31.700 -0.018 0.000 0.787 59 K N 0.565 120.942 120.400 -0.039 0.000 2.026 59 K HA -0.147 4.171 4.320 -0.003 0.000 0.208 59 K C 2.328 178.887 176.600 -0.069 0.000 1.048 59 K CA 1.375 57.630 56.287 -0.053 0.000 0.929 59 K CB -1.649 30.828 32.500 -0.037 0.000 0.713 59 K HN 0.276 nan 8.250 nan 0.000 0.439 60 I N -0.091 120.450 120.570 -0.048 0.000 2.394 60 I HA -0.046 4.122 4.170 -0.003 0.000 0.251 60 I C 2.068 178.126 176.117 -0.099 0.000 1.136 60 I CA 1.740 63.008 61.300 -0.054 0.000 1.425 60 I CB -0.290 37.701 38.000 -0.015 0.000 1.079 60 I HN 0.151 nan 8.210 nan 0.000 0.425 61 K N 1.095 121.439 120.400 -0.093 0.000 2.280 61 K HA -0.096 4.222 4.320 -0.003 0.000 0.202 61 K C 2.092 178.531 176.600 -0.269 0.000 1.047 61 K CA 1.404 57.608 56.287 -0.139 0.000 0.942 61 K CB -0.350 32.110 32.500 -0.067 0.000 0.739 61 K HN 0.657 nan 8.250 nan 0.000 0.457 62 S N 0.992 116.550 115.700 -0.237 0.000 2.603 62 S HA -0.079 4.390 4.470 -0.003 0.000 0.229 62 S C 1.732 176.082 174.600 -0.416 0.000 0.972 62 S CA 0.300 58.324 58.200 -0.293 0.000 0.935 62 S CB -0.470 62.617 63.200 -0.189 0.000 0.769 62 S HN 0.303 nan 8.310 nan 0.000 0.536 63 I N 2.804 123.093 120.570 -0.469 0.000 2.530 63 I HA -0.234 3.934 4.170 -0.003 0.000 0.257 63 I C 2.354 177.716 176.117 -1.259 0.000 1.179 63 I CA 1.379 62.274 61.300 -0.676 0.000 1.440 63 I CB -0.373 37.301 38.000 -0.544 0.000 1.087 63 I HN 0.573 nan 8.210 nan 0.000 0.440 64 S N 0.080 115.032 115.700 -1.246 0.000 2.402 64 S HA -0.243 4.225 4.470 -0.003 0.000 0.233 64 S C 2.111 176.022 174.600 -1.147 0.000 1.030 64 S CA 1.506 58.705 58.200 -1.669 0.000 1.003 64 S CB -0.648 61.383 63.200 -1.948 0.000 0.813 64 S HN 0.399 nan 8.310 nan 0.000 0.477 65 K N 1.018 120.988 120.400 -0.716 0.000 2.103 65 K HA -0.070 4.248 4.320 -0.003 0.000 0.207 65 K C 2.493 178.873 176.600 -0.366 0.000 1.048 65 K CA 1.659 57.698 56.287 -0.413 0.000 0.930 65 K CB -0.940 31.390 32.500 -0.284 0.000 0.716 65 K HN 0.737 nan 8.250 nan 0.000 0.444 66 Q N -1.214 118.303 119.800 -0.472 0.000 2.084 66 Q HA -0.072 4.266 4.340 -0.003 0.000 0.202 66 Q C 2.075 177.961 176.000 -0.190 0.000 0.978 66 Q CA 1.713 57.343 55.803 -0.288 0.000 0.844 66 Q CB -0.230 28.360 28.738 -0.248 0.000 0.898 66 Q HN 0.442 nan 8.270 nan 0.000 0.426 67 F N 1.195 120.817 119.950 -0.546 0.000 2.146 67 F HA -0.114 4.411 4.527 -0.003 0.000 0.298 67 F C 2.056 177.530 175.800 -0.543 0.000 1.096 67 F CA 0.858 58.327 58.000 -0.885 0.000 1.275 67 F CB -0.895 37.103 39.000 -1.670 0.000 1.008 67 F HN 0.115 nan 8.300 nan 0.000 0.480 68 E N 0.302 120.404 120.200 -0.164 0.000 2.085 68 E HA -0.267 4.081 4.350 -0.003 0.000 0.194 68 E C 2.128 178.714 176.600 -0.024 0.000 0.994 68 E CA 1.498 57.902 56.400 0.007 0.000 0.801 68 E CB -0.204 29.522 29.700 0.043 0.000 0.743 68 E HN 0.190 nan 8.360 nan 0.000 0.453 69 K N 0.568 120.933 120.400 -0.058 0.000 2.063 69 K HA -0.132 4.187 4.320 -0.003 0.000 0.208 69 K C 2.112 178.696 176.600 -0.025 0.000 1.048 69 K CA 1.837 58.105 56.287 -0.032 0.000 0.928 69 K CB -0.358 32.122 32.500 -0.034 0.000 0.713 69 K HN -0.026 nan 8.250 nan 0.000 0.442 70 T N 0.207 114.742 114.554 -0.031 0.000 2.684 70 T HA -0.137 4.212 4.350 -0.003 0.000 0.267 70 T C 1.770 176.315 174.700 -0.259 0.000 1.036 70 T CA 1.468 63.532 62.100 -0.060 0.000 1.148 70 T CB -0.461 68.437 68.868 0.051 0.000 0.863 70 T HN 0.408 nan 8.240 nan 0.000 0.436 71 A N 1.143 123.760 122.820 -0.339 0.000 2.121 71 A HA -0.053 4.265 4.320 -0.003 0.000 0.218 71 A C 2.032 179.609 177.584 -0.011 0.000 1.154 71 A CA 1.154 52.923 52.037 -0.448 0.000 0.679 71 A CB -0.461 18.468 19.000 -0.118 0.000 0.795 71 A HN 0.564 nan 8.150 nan 0.000 0.458 72 E N 0.247 120.451 120.200 0.008 0.000 2.347 72 E HA -0.091 4.257 4.350 -0.003 0.000 0.196 72 E C 0.116 176.764 176.600 0.081 0.000 1.008 72 E CA 0.044 56.479 56.400 0.057 0.000 0.852 72 E CB 0.042 29.763 29.700 0.035 0.000 0.783 72 E HN 0.527 nan 8.360 nan 0.000 0.505 73 D N 0.559 121.012 120.400 0.088 0.000 2.417 73 D HA -0.020 4.618 4.640 -0.003 0.000 0.250 73 D C -1.772 174.628 176.300 0.168 0.000 1.166 73 D CA -1.675 52.397 54.000 0.120 0.000 0.881 73 D CB 1.258 42.137 40.800 0.131 0.000 1.164 73 D HN -0.114 nan 8.370 nan 0.000 0.467 74 P HA -0.053 nan 4.420 nan 0.000 0.223 74 P C 0.837 178.218 177.300 0.135 0.000 1.144 74 P CA 0.864 64.035 63.100 0.118 0.000 0.783 74 P CB 0.239 31.988 31.700 0.082 0.000 0.771 75 R N -2.304 118.287 120.500 0.152 0.000 2.299 75 R HA 0.129 4.467 4.340 -0.003 0.000 0.197 75 R C 0.375 176.792 176.300 0.195 0.000 0.971 75 R CA -0.043 56.145 56.100 0.147 0.000 1.030 75 R CB -0.258 30.116 30.300 0.123 0.000 0.932 75 R HN 0.212 nan 8.270 nan 0.000 0.477 76 F N 1.484 121.482 119.950 0.080 0.000 2.420 76 F HA 0.393 4.918 4.527 -0.003 0.000 0.342 76 F C -0.251 175.590 175.800 0.068 0.000 1.113 76 F CA -0.770 57.279 58.000 0.082 0.000 1.059 76 F CB 0.748 39.806 39.000 0.097 0.000 1.128 76 F HN -0.310 nan 8.300 nan 0.000 0.475 77 R N 5.431 125.591 120.500 -0.566 0.000 2.750 77 R HA 0.432 4.770 4.340 -0.003 0.000 0.281 77 R C -1.922 173.963 176.300 -0.692 0.000 0.972 77 R CA -1.002 54.827 56.100 -0.451 0.000 0.912 77 R CB 2.493 32.618 30.300 -0.292 0.000 1.187 77 R HN 0.658 nan 8.270 nan 0.000 0.464 78 F N 2.341 121.913 119.950 -0.631 0.000 2.495 78 F HA 0.528 5.053 4.527 -0.003 0.000 0.327 78 F C -1.422 173.966 175.800 -0.687 0.000 1.103 78 F CA -1.004 56.724 58.000 -0.454 0.000 0.949 78 F CB 0.964 39.918 39.000 -0.075 0.000 1.142 78 F HN 0.375 nan 8.300 nan 0.000 0.457 79 F N 4.843 124.321 119.950 -0.787 0.000 2.532 79 F HA 0.533 5.059 4.527 -0.003 0.000 0.365 79 F C 0.514 175.752 175.800 -0.938 0.000 1.112 79 F CA -0.872 56.733 58.000 -0.659 0.000 1.082 79 F CB 1.220 40.001 39.000 -0.365 0.000 1.319 79 F HN 0.639 nan 8.300 nan 0.000 0.457 80 G N 0.814 109.101 108.800 -0.855 0.000 2.522 80 G HA2 0.300 4.258 3.960 -0.003 0.000 0.304 80 G HA3 0.300 4.258 3.960 -0.003 0.000 0.304 80 G C 0.289 175.073 174.900 -0.194 0.000 1.210 80 G CA -0.617 44.161 45.100 -0.536 0.000 0.960 80 G HN 0.682 nan 8.290 nan 0.000 0.497 81 N N -2.216 116.421 118.700 -0.106 0.000 2.741 81 N HA -0.199 4.540 4.740 -0.003 0.000 0.250 81 N C -0.492 174.930 175.510 -0.146 0.000 1.115 81 N CA 0.922 53.929 53.050 -0.073 0.000 0.724 81 N CB -1.064 37.387 38.487 -0.060 0.000 1.090 81 N HN 0.374 nan 8.380 nan 0.000 0.558 82 V N 0.762 120.601 119.914 -0.125 0.000 2.350 82 V HA 0.424 4.542 4.120 -0.003 0.000 0.285 82 V C 0.266 176.402 176.094 0.070 0.000 1.014 82 V CA -0.849 61.389 62.300 -0.104 0.000 0.831 82 V CB 1.848 33.572 31.823 -0.165 0.000 1.000 82 V HN 0.015 nan 8.190 nan 0.000 0.433 83 V N 6.176 126.279 119.914 0.315 0.000 2.318 83 V HA 0.276 4.394 4.120 -0.003 0.000 0.271 83 V C 0.240 176.391 176.094 0.096 0.000 1.030 83 V CA -0.530 61.873 62.300 0.172 0.000 0.844 83 V CB 1.526 33.411 31.823 0.103 0.000 1.015 83 V HN 0.621 nan 8.190 nan 0.000 0.460 84 V N 5.224 125.184 119.914 0.077 0.000 2.521 84 V HA 0.544 4.662 4.120 -0.003 0.000 0.286 84 V C 1.386 177.518 176.094 0.063 0.000 1.034 84 V CA 1.373 63.725 62.300 0.085 0.000 1.045 84 V CB 0.389 32.296 31.823 0.141 0.000 0.974 84 V HN 1.185 nan 8.190 nan 0.000 0.480 85 G N 3.645 112.467 108.800 0.037 0.000 2.238 85 G HA2 -0.206 3.752 3.960 -0.003 0.000 0.217 85 G HA3 -0.206 3.752 3.960 -0.003 0.000 0.217 85 G C 0.706 175.572 174.900 -0.057 0.000 0.996 85 G CA 0.492 45.588 45.100 -0.007 0.000 0.632 85 G HN 0.673 nan 8.290 nan 0.000 0.503 86 E N -0.807 119.332 120.200 -0.101 0.000 2.538 86 E HA 0.207 4.555 4.350 -0.003 0.000 0.188 86 E C 1.857 178.300 176.600 -0.263 0.000 1.014 86 E CA 0.351 56.614 56.400 -0.228 0.000 1.140 86 E CB 0.191 29.669 29.700 -0.371 0.000 1.262 86 E HN 0.541 nan 8.360 nan 0.000 0.488 87 H N 0.029 119.052 119.070 -0.079 0.000 2.403 87 H HA 0.060 4.615 4.556 -0.003 0.000 0.298 87 H C 0.563 175.785 175.328 -0.177 0.000 1.059 87 H CA 1.180 57.147 56.048 -0.136 0.000 1.363 87 H CB 0.562 30.223 29.762 -0.169 0.000 1.410 87 H HN 0.030 nan 8.280 nan 0.000 0.528 88 V N -1.774 118.129 119.914 -0.018 0.000 2.962 88 V HA 0.446 4.564 4.120 -0.003 0.000 0.313 88 V C -0.934 175.214 176.094 0.091 0.000 1.099 88 V CA -1.275 61.028 62.300 0.005 0.000 0.971 88 V CB 2.737 34.531 31.823 -0.048 0.000 1.028 88 V HN -0.036 nan 8.190 nan 0.000 0.430 89 Q N 2.193 122.088 119.800 0.159 0.000 2.266 89 Q HA 0.497 4.835 4.340 -0.003 0.000 0.261 89 Q C -2.149 173.962 176.000 0.184 0.000 0.985 89 Q CA -2.261 53.623 55.803 0.135 0.000 0.873 89 Q CB 1.851 30.653 28.738 0.107 0.000 1.306 89 Q HN 0.494 nan 8.270 nan 0.000 0.447 90 P HA -0.211 nan 4.420 nan 0.000 0.216 90 P C 1.124 178.534 177.300 0.182 0.000 1.154 90 P CA 2.086 65.318 63.100 0.220 0.000 0.865 90 P CB 0.165 31.927 31.700 0.103 0.000 0.789 91 G N -0.340 108.536 108.800 0.126 0.000 2.450 91 G HA2 -0.259 3.700 3.960 -0.003 0.000 0.220 91 G HA3 -0.259 3.700 3.960 -0.003 0.000 0.220 91 G C 1.391 176.361 174.900 0.116 0.000 1.130 91 G CA 0.716 45.879 45.100 0.105 0.000 0.760 91 G HN 0.322 nan 8.290 nan 0.000 0.557 92 E N -0.048 120.244 120.200 0.153 0.000 2.107 92 E HA 0.031 4.379 4.350 -0.003 0.000 0.191 92 E C 2.549 179.225 176.600 0.126 0.000 0.982 92 E CA 0.331 56.815 56.400 0.139 0.000 0.809 92 E CB -0.141 29.752 29.700 0.322 0.000 0.756 92 E HN 0.382 nan 8.360 nan 0.000 0.459 93 L N 1.124 122.495 121.223 0.246 0.000 2.056 93 L HA -0.147 4.192 4.340 -0.003 0.000 0.207 93 L C 2.688 179.731 176.870 0.289 0.000 1.078 93 L CA 1.298 56.316 54.840 0.296 0.000 0.749 93 L CB -0.562 41.632 42.059 0.225 0.000 0.901 93 L HN 0.196 nan 8.230 nan 0.000 0.433 94 S N -1.062 114.770 115.700 0.220 0.000 2.469 94 S HA -0.141 4.327 4.470 -0.003 0.000 0.238 94 S C 1.711 176.426 174.600 0.192 0.000 0.998 94 S CA 1.215 59.539 58.200 0.206 0.000 0.957 94 S CB -0.124 63.172 63.200 0.160 0.000 0.764 94 S HN 0.376 nan 8.310 nan 0.000 0.514 95 E N 0.938 121.226 120.200 0.147 0.000 2.276 95 E HA 0.213 4.561 4.350 -0.003 0.000 0.193 95 E C 1.965 178.671 176.600 0.176 0.000 0.983 95 E CA 0.379 56.847 56.400 0.113 0.000 0.861 95 E CB -0.204 29.515 29.700 0.031 0.000 0.817 95 E HN 0.738 nan 8.360 nan 0.000 0.485 96 R N -1.226 119.337 120.500 0.105 0.000 2.300 96 R HA 0.214 4.552 4.340 -0.003 0.000 0.199 96 R C -0.327 175.817 176.300 -0.260 0.000 0.920 96 R CA 0.230 56.285 56.100 -0.074 0.000 1.046 96 R CB 0.378 30.448 30.300 -0.384 0.000 0.984 96 R HN 0.269 nan 8.270 nan 0.000 0.493 97 Y N -0.885 119.523 120.300 0.180 0.000 2.545 97 Y HA 0.169 4.717 4.550 -0.003 0.000 0.348 97 Y C 0.770 176.894 175.900 0.373 0.000 1.002 97 Y CA -1.155 57.073 58.100 0.213 0.000 1.039 97 Y CB 1.585 40.123 38.460 0.130 0.000 1.271 97 Y HN -0.204 nan 8.280 nan 0.000 0.467 98 D N 1.099 121.853 120.400 0.590 0.000 2.144 98 D HA 0.050 4.688 4.640 -0.003 0.000 0.200 98 D C 0.165 176.641 176.300 0.292 0.000 0.978 98 D CA 1.386 55.649 54.000 0.438 0.000 0.833 98 D CB 0.313 41.380 40.800 0.445 0.000 0.961 98 D HN 0.475 nan 8.370 nan 0.000 0.470 99 A N -0.162 122.828 122.820 0.285 0.000 2.572 99 A HA 0.552 4.871 4.320 -0.003 0.000 0.295 99 A C -1.271 176.420 177.584 0.179 0.000 1.072 99 A CA -0.579 51.603 52.037 0.242 0.000 0.691 99 A CB 2.011 21.117 19.000 0.177 0.000 1.291 99 A HN -0.099 nan 8.150 nan 0.000 0.404 100 V N 1.741 121.762 119.914 0.179 0.000 2.588 100 V HA 0.497 4.615 4.120 -0.003 0.000 0.304 100 V C -0.665 175.457 176.094 0.048 0.000 1.042 100 V CA -0.216 62.081 62.300 -0.006 0.000 0.877 100 V CB 1.572 33.376 31.823 -0.032 0.000 0.996 100 V HN 0.707 nan 8.190 nan 0.000 0.425 101 I N 4.391 124.888 120.570 -0.121 0.000 2.362 101 I HA 0.422 4.590 4.170 -0.003 0.000 0.289 101 I C -1.100 174.879 176.117 -0.230 0.000 0.994 101 I CA -0.596 60.690 61.300 -0.024 0.000 1.158 101 I CB 1.335 39.327 38.000 -0.013 0.000 1.315 101 I HN 0.515 nan 8.210 nan 0.000 0.451 102 Y N 4.796 125.149 120.300 0.089 0.000 2.383 102 Y HA 0.476 5.024 4.550 -0.003 0.000 0.344 102 Y C 0.676 176.626 175.900 0.084 0.000 0.986 102 Y CA -0.389 57.755 58.100 0.074 0.000 1.175 102 Y CB 1.427 39.938 38.460 0.085 0.000 1.152 102 Y HN 0.640 nan 8.280 nan 0.000 0.511 103 A N 2.797 125.701 122.820 0.140 0.000 3.129 103 A HA 0.375 4.693 4.320 -0.003 0.000 0.282 103 A C 0.689 178.345 177.584 0.120 0.000 0.948 103 A CA -0.231 51.874 52.037 0.113 0.000 1.027 103 A CB -0.640 18.377 19.000 0.028 0.000 1.123 103 A HN 0.717 nan 8.150 nan 0.000 0.485 104 V N -2.844 117.182 119.914 0.186 0.000 3.541 104 V HA 0.462 4.581 4.120 -0.003 0.000 0.267 104 V C 1.311 177.522 176.094 0.194 0.000 1.213 104 V CA 0.643 63.053 62.300 0.183 0.000 1.149 104 V CB -1.511 30.440 31.823 0.214 0.000 0.822 104 V HN 1.733 nan 8.190 nan 0.000 0.462 105 G N 0.523 109.452 108.800 0.215 0.000 2.575 105 G HA2 0.078 4.036 3.960 -0.003 0.000 0.267 105 G HA3 0.078 4.036 3.960 -0.003 0.000 0.267 105 G C 0.115 175.230 174.900 0.359 0.000 1.264 105 G CA 0.258 45.523 45.100 0.276 0.000 0.935 105 G HN 1.970 nan 8.290 nan 0.000 0.568 106 A N -1.361 121.725 122.820 0.444 0.000 2.360 106 A HA 0.696 5.014 4.320 -0.003 0.000 0.309 106 A C 0.737 178.592 177.584 0.452 0.000 1.311 106 A CA 0.167 52.480 52.037 0.460 0.000 0.805 106 A CB 1.247 20.584 19.000 0.561 0.000 1.144 106 A HN 0.512 nan 8.150 nan 0.000 0.486 107 Q N 0.427 120.424 119.800 0.329 0.000 2.408 107 Q HA 0.116 4.455 4.340 -0.003 0.000 0.205 107 Q C 0.930 177.077 176.000 0.245 0.000 0.919 107 Q CA 0.689 56.671 55.803 0.298 0.000 0.932 107 Q CB 0.583 29.467 28.738 0.244 0.000 1.058 107 Q HN 0.644 nan 8.270 nan 0.000 0.517 108 S N 0.645 116.458 115.700 0.189 0.000 2.801 108 S HA 0.344 4.812 4.470 -0.003 0.000 0.312 108 S C -1.304 173.299 174.600 0.005 0.000 1.112 108 S CA -0.772 57.490 58.200 0.103 0.000 0.943 108 S CB 1.025 64.280 63.200 0.093 0.000 1.269 108 S HN 0.255 nan 8.310 nan 0.000 0.558 109 D N 0.351 120.733 120.400 -0.031 0.000 2.340 109 D HA 0.341 4.979 4.640 -0.003 0.000 0.240 109 D C -0.899 175.391 176.300 -0.017 0.000 1.001 109 D CA -0.696 53.248 54.000 -0.095 0.000 0.888 109 D CB 1.065 41.783 40.800 -0.137 0.000 1.310 109 D HN 0.397 nan 8.370 nan 0.000 0.474 110 R N 0.877 121.371 120.500 -0.009 0.000 2.438 110 R HA 0.350 4.688 4.340 -0.003 0.000 0.287 110 R C 0.296 176.593 176.300 -0.006 0.000 1.077 110 R CA -0.203 55.901 56.100 0.007 0.000 1.034 110 R CB 1.112 31.420 30.300 0.014 0.000 0.993 110 R HN 0.387 nan 8.270 nan 0.000 0.459 111 M N 2.691 122.291 119.600 0.000 0.000 2.471 111 M HA 0.172 4.651 4.480 -0.003 0.000 0.309 111 M C 1.170 177.467 176.300 -0.005 0.000 1.186 111 M CA -0.419 54.879 55.300 -0.005 0.000 1.008 111 M CB 1.256 33.856 32.600 -0.001 0.000 1.551 111 M HN 0.495 nan 8.290 nan 0.000 0.477 112 L N 0.678 121.896 121.223 -0.008 0.000 2.270 112 L HA -0.008 4.330 4.340 -0.003 0.000 0.210 112 L C 0.195 177.062 176.870 -0.006 0.000 1.104 112 L CA 0.215 55.051 54.840 -0.008 0.000 0.804 112 L CB -0.243 41.808 42.059 -0.012 0.000 0.937 112 L HN 0.746 nan 8.230 nan 0.000 0.450 113 N N 1.452 120.148 118.700 -0.005 0.000 2.727 113 N HA -0.179 4.559 4.740 -0.003 0.000 0.251 113 N C -0.607 174.900 175.510 -0.005 0.000 1.040 113 N CA 1.169 54.217 53.050 -0.004 0.000 0.712 113 N CB -1.614 36.872 38.487 -0.002 0.000 0.912 113 N HN 0.512 nan 8.380 nan 0.000 0.545 114 I N -3.913 116.652 120.570 -0.008 0.000 2.934 114 I HA 0.713 4.881 4.170 -0.003 0.000 0.306 114 I C -2.455 173.656 176.117 -0.010 0.000 1.110 114 I CA -2.477 58.818 61.300 -0.009 0.000 1.019 114 I CB 2.257 40.251 38.000 -0.010 0.000 1.227 114 I HN -0.302 nan 8.210 nan 0.000 0.434 115 P HA 0.209 nan 4.420 nan 0.000 0.266 115 P C 0.725 178.017 177.300 -0.013 0.000 1.195 115 P CA 0.880 63.974 63.100 -0.010 0.000 0.768 115 P CB 0.724 32.419 31.700 -0.009 0.000 0.838 116 G N 1.877 110.669 108.800 -0.014 0.000 2.176 116 G HA2 -0.321 3.638 3.960 -0.003 0.000 0.253 116 G HA3 -0.321 3.638 3.960 -0.003 0.000 0.253 116 G C 1.027 175.915 174.900 -0.020 0.000 0.979 116 G CA 0.425 45.515 45.100 -0.017 0.000 0.641 116 G HN 0.585 nan 8.290 nan 0.000 0.530 117 E N 0.102 120.291 120.200 -0.019 0.000 2.204 117 E HA -0.113 4.235 4.350 -0.003 0.000 0.195 117 E C 1.036 177.623 176.600 -0.022 0.000 0.990 117 E CA 1.284 57.671 56.400 -0.021 0.000 0.821 117 E CB -0.017 29.672 29.700 -0.017 0.000 0.750 117 E HN 0.469 nan 8.360 nan 0.000 0.477 118 D N 0.173 120.561 120.400 -0.019 0.000 2.388 118 D HA 0.103 4.741 4.640 -0.003 0.000 0.221 118 D C -0.081 176.206 176.300 -0.022 0.000 1.133 118 D CA -0.054 53.935 54.000 -0.019 0.000 0.831 118 D CB 0.206 40.997 40.800 -0.015 0.000 0.962 118 D HN 0.199 nan 8.370 nan 0.000 0.502 119 L N 1.764 122.973 121.223 -0.024 0.000 2.490 119 L HA 0.084 4.422 4.340 -0.003 0.000 0.274 119 L C -1.935 174.916 176.870 -0.032 0.000 1.201 119 L CA -1.237 53.587 54.840 -0.026 0.000 0.869 119 L CB 0.031 42.074 42.059 -0.027 0.000 1.123 119 L HN -0.305 nan 8.230 nan 0.000 0.484 120 P HA -0.014 nan 4.420 nan 0.000 0.262 120 P C 0.655 177.927 177.300 -0.048 0.000 1.182 120 P CA 1.006 64.082 63.100 -0.040 0.000 0.761 120 P CB 0.631 32.310 31.700 -0.035 0.000 0.795 121 G N 1.815 110.579 108.800 -0.060 0.000 2.213 121 G HA2 -0.212 3.747 3.960 -0.003 0.000 0.226 121 G HA3 -0.212 3.747 3.960 -0.003 0.000 0.226 121 G C 0.306 175.160 174.900 -0.077 0.000 0.992 121 G CA 0.148 45.206 45.100 -0.072 0.000 0.632 121 G HN 0.758 nan 8.290 nan 0.000 0.511 122 S N 0.952 116.614 115.700 -0.063 0.000 2.498 122 S HA 0.763 5.231 4.470 -0.003 0.000 0.324 122 S C 0.110 174.678 174.600 -0.054 0.000 1.071 122 S CA -0.100 58.063 58.200 -0.062 0.000 1.113 122 S CB 0.083 63.255 63.200 -0.048 0.000 0.976 122 S HN 1.222 nan 8.310 nan 0.000 0.462 123 I N 1.516 122.048 120.570 -0.063 0.000 3.174 123 I HA 0.941 5.109 4.170 -0.003 0.000 0.313 123 I C -0.320 175.769 176.117 -0.047 0.000 1.155 123 I CA -1.635 59.639 61.300 -0.044 0.000 0.977 123 I CB 1.586 39.567 38.000 -0.031 0.000 1.248 123 I HN 0.573 nan 8.210 nan 0.000 0.453 124 A N 1.630 124.426 122.820 -0.041 0.000 2.302 124 A HA 0.729 5.047 4.320 -0.003 0.000 0.285 124 A C 1.167 178.721 177.584 -0.050 0.000 1.105 124 A CA 0.027 52.025 52.037 -0.065 0.000 0.816 124 A CB 1.014 19.950 19.000 -0.107 0.000 1.067 124 A HN 1.156 nan 8.150 nan 0.000 0.489 125 A N 1.279 124.079 122.820 -0.033 0.000 1.948 125 A HA -0.060 4.258 4.320 -0.003 0.000 0.220 125 A C 1.971 179.496 177.584 -0.099 0.000 1.177 125 A CA 2.169 54.235 52.037 0.048 0.000 0.636 125 A CB -1.106 17.972 19.000 0.131 0.000 0.815 125 A HN 0.980 nan 8.150 nan 0.000 0.449 126 V N 0.694 120.378 119.914 -0.384 0.000 2.250 126 V HA -0.358 3.760 4.120 -0.003 0.000 0.250 126 V C 2.179 177.841 176.094 -0.720 0.000 1.060 126 V CA 2.654 64.562 62.300 -0.653 0.000 1.030 126 V CB -1.049 30.330 31.823 -0.740 0.000 0.643 126 V HN 0.591 nan 8.190 nan 0.000 0.445 127 D N -0.937 119.156 120.400 -0.512 0.000 2.117 127 D HA -0.131 4.507 4.640 -0.003 0.000 0.198 127 D C 1.801 177.976 176.300 -0.210 0.000 0.982 127 D CA 1.073 54.786 54.000 -0.478 0.000 0.828 127 D CB -0.301 40.498 40.800 -0.001 0.000 0.967 127 D HN 0.443 nan 8.370 nan 0.000 0.464 128 F N 0.978 120.812 119.950 -0.193 0.000 2.113 128 F HA -0.135 4.390 4.527 -0.003 0.000 0.297 128 F C 2.055 177.760 175.800 -0.159 0.000 1.103 128 F CA 0.871 58.861 58.000 -0.017 0.000 1.248 128 F CB -0.339 38.689 39.000 0.046 0.000 0.999 128 F HN -0.195 nan 8.300 nan 0.000 0.475 129 V N 0.366 120.009 119.914 -0.451 0.000 2.295 129 V HA -0.237 3.881 4.120 -0.003 0.000 0.246 129 V C 2.784 178.449 176.094 -0.715 0.000 1.049 129 V CA 1.948 63.644 62.300 -1.007 0.000 1.024 129 V CB -1.739 29.850 31.823 -0.389 0.000 0.648 129 V HN 0.523 nan 8.190 nan 0.000 0.447 130 G N -1.286 107.216 108.800 -0.498 0.000 2.440 130 G HA2 -0.340 3.618 3.960 -0.003 0.000 0.218 130 G HA3 -0.340 3.618 3.960 -0.003 0.000 0.218 130 G C 1.352 176.293 174.900 0.069 0.000 1.154 130 G CA 0.921 45.854 45.100 -0.279 0.000 0.767 130 G HN 0.649 nan 8.290 nan 0.000 0.552 131 W N 1.694 122.915 121.300 -0.132 0.000 2.355 131 W HA -0.120 4.538 4.660 -0.003 0.000 0.309 131 W C 2.431 179.044 176.519 0.155 0.000 1.206 131 W CA 1.808 59.199 57.345 0.077 0.000 1.284 131 W CB -0.593 28.872 29.460 0.008 0.000 1.145 131 W HN 0.371 nan 8.180 nan 0.000 0.502 132 Y N -0.268 119.908 120.300 -0.207 0.000 2.509 132 Y HA 0.106 4.654 4.550 -0.003 0.000 0.293 132 Y C 1.358 177.084 175.900 -0.289 0.000 1.133 132 Y CA 1.263 59.072 58.100 -0.486 0.000 1.283 132 Y CB -1.624 36.551 38.460 -0.474 0.000 1.001 132 Y HN -0.074 nan 8.280 nan 0.000 0.555 133 N N 0.975 119.665 118.700 -0.017 0.000 2.268 133 N HA 0.251 4.989 4.740 -0.003 0.000 0.204 133 N C 0.717 176.250 175.510 0.039 0.000 1.124 133 N CA 0.778 53.859 53.050 0.051 0.000 0.838 133 N CB 0.354 38.879 38.487 0.064 0.000 0.994 133 N HN 0.451 nan 8.380 nan 0.000 0.489 134 A N 0.375 123.212 122.820 0.030 0.000 2.925 134 A HA -0.242 4.076 4.320 -0.003 0.000 0.265 134 A C 0.230 177.921 177.584 0.179 0.000 1.419 134 A CA 0.528 52.611 52.037 0.076 0.000 0.807 134 A CB -2.802 16.166 19.000 -0.053 0.000 1.043 134 A HN 0.577 nan 8.150 nan 0.000 0.600 135 H N 0.908 120.073 119.070 0.159 0.000 2.929 135 H HA 0.224 4.778 4.556 -0.003 0.000 0.317 135 H C -1.109 174.338 175.328 0.199 0.000 1.031 135 H CA -0.475 55.684 56.048 0.186 0.000 1.466 135 H CB 1.035 30.999 29.762 0.337 0.000 1.482 135 H HN 0.283 nan 8.280 nan 0.000 0.561 136 P HA -0.118 nan 4.420 nan 0.000 0.222 136 P C 0.658 178.142 177.300 0.306 0.000 1.147 136 P CA 1.339 64.556 63.100 0.196 0.000 0.790 136 P CB 0.008 31.751 31.700 0.072 0.000 0.780 137 H N -2.375 116.861 119.070 0.277 0.000 2.555 137 H HA 0.098 4.652 4.556 -0.003 0.000 0.269 137 H C 0.485 175.485 175.328 -0.547 0.000 0.988 137 H CA 0.160 56.076 56.048 -0.220 0.000 1.178 137 H CB -0.258 29.229 29.762 -0.459 0.000 1.373 137 H HN 0.164 nan 8.280 nan 0.000 0.588 138 F N -0.399 119.721 119.950 0.283 0.000 2.735 138 F HA 0.149 4.674 4.527 -0.003 0.000 0.308 138 F C 1.674 177.628 175.800 0.257 0.000 1.112 138 F CA -0.286 57.835 58.000 0.202 0.000 1.235 138 F CB 0.439 39.529 39.000 0.150 0.000 1.027 138 F HN 0.081 nan 8.300 nan 0.000 0.528 139 E N 0.468 120.858 120.200 0.315 0.000 2.153 139 E HA -0.177 4.171 4.350 -0.003 0.000 0.194 139 E C 1.299 177.998 176.600 0.165 0.000 0.988 139 E CA 1.079 57.615 56.400 0.226 0.000 0.811 139 E CB 0.233 30.042 29.700 0.183 0.000 0.746 139 E HN 0.320 nan 8.360 nan 0.000 0.466 140 Q N -0.060 119.820 119.800 0.133 0.000 2.320 140 Q HA 0.036 4.374 4.340 -0.003 0.000 0.201 140 Q C 1.897 177.899 176.000 0.004 0.000 0.910 140 Q CA 0.015 55.853 55.803 0.059 0.000 0.946 140 Q CB 0.802 29.561 28.738 0.034 0.000 1.062 140 Q HN 0.203 nan 8.270 nan 0.000 0.503 141 V N 0.682 120.603 119.914 0.013 0.000 2.295 141 V HA -0.206 3.912 4.120 -0.003 0.000 0.246 141 V C 0.806 176.664 176.094 -0.392 0.000 1.049 141 V CA 1.198 63.417 62.300 -0.135 0.000 1.024 141 V CB -0.657 31.134 31.823 -0.054 0.000 0.648 141 V HN 0.377 nan 8.190 nan 0.000 0.447 142 S N 0.532 115.792 115.700 -0.734 0.000 3.405 142 S HA -0.121 4.348 4.470 -0.003 0.000 0.373 142 S C -1.701 172.617 174.600 -0.470 0.000 0.939 142 S CA 0.306 58.180 58.200 -0.543 0.000 1.295 142 S CB -1.491 61.627 63.200 -0.136 0.000 0.919 142 S HN 0.671 nan 8.310 nan 0.000 0.535 143 P HA 0.282 nan 4.420 nan 0.000 0.275 143 P C -0.331 176.857 177.300 -0.187 0.000 1.228 143 P CA -0.305 62.591 63.100 -0.341 0.000 0.786 143 P CB 0.596 32.121 31.700 -0.292 0.000 0.927 144 D N 2.047 122.385 120.400 -0.102 0.000 2.339 144 D HA 0.078 4.716 4.640 -0.003 0.000 0.256 144 D C 0.382 176.671 176.300 -0.019 0.000 1.214 144 D CA 0.017 53.992 54.000 -0.042 0.000 0.877 144 D CB 0.058 40.837 40.800 -0.035 0.000 1.111 144 D HN 0.244 nan 8.370 nan 0.000 0.478 145 L N 3.101 124.342 121.223 0.029 0.000 2.872 145 L HA 0.087 4.425 4.340 -0.003 0.000 0.245 145 L C 1.705 178.602 176.870 0.045 0.000 1.211 145 L CA -0.138 54.736 54.840 0.057 0.000 1.013 145 L CB 0.008 42.154 42.059 0.144 0.000 1.326 145 L HN 0.336 nan 8.230 nan 0.000 0.525 146 S N -1.480 114.235 115.700 0.025 0.000 2.503 146 S HA 0.091 4.559 4.470 -0.003 0.000 0.217 146 S C 1.134 175.738 174.600 0.007 0.000 0.999 146 S CA 0.094 58.306 58.200 0.020 0.000 0.914 146 S CB 0.039 63.250 63.200 0.018 0.000 0.782 146 S HN 0.286 nan 8.310 nan 0.000 0.520 147 G N 0.243 109.041 108.800 -0.003 0.000 2.503 147 G HA2 0.563 4.521 3.960 -0.003 0.000 0.257 147 G HA3 0.563 4.521 3.960 -0.003 0.000 0.257 147 G C 0.913 175.805 174.900 -0.013 0.000 1.214 147 G CA -0.272 44.821 45.100 -0.012 0.000 0.839 147 G HN 0.404 nan 8.290 nan 0.000 0.559 148 A N 1.410 124.222 122.820 -0.014 0.000 2.015 148 A HA 0.109 4.427 4.320 -0.003 0.000 0.219 148 A C 1.561 179.132 177.584 -0.023 0.000 1.163 148 A CA 0.973 53.001 52.037 -0.015 0.000 0.646 148 A CB -0.053 18.940 19.000 -0.013 0.000 0.806 148 A HN 0.572 nan 8.150 nan 0.000 0.448 149 R N -0.760 119.722 120.500 -0.031 0.000 2.561 149 R HA 0.608 4.946 4.340 -0.003 0.000 0.297 149 R C -1.167 175.098 176.300 -0.058 0.000 0.969 149 R CA -0.079 55.995 56.100 -0.043 0.000 0.879 149 R CB 1.540 31.816 30.300 -0.041 0.000 1.178 149 R HN 0.227 nan 8.270 nan 0.000 0.445 150 A N 3.409 126.185 122.820 -0.074 0.000 2.355 150 A HA 0.665 4.984 4.320 -0.003 0.000 0.324 150 A C -1.184 176.335 177.584 -0.107 0.000 1.117 150 A CA -0.639 51.338 52.037 -0.101 0.000 0.785 150 A CB 1.934 20.860 19.000 -0.123 0.000 1.254 150 A HN 0.444 nan 8.150 nan 0.000 0.453 151 V N 2.136 121.982 119.914 -0.113 0.000 2.487 151 V HA 0.466 4.584 4.120 -0.003 0.000 0.298 151 V C -0.577 175.448 176.094 -0.116 0.000 1.028 151 V CA -0.484 61.751 62.300 -0.108 0.000 0.860 151 V CB 1.651 33.424 31.823 -0.085 0.000 0.991 151 V HN 0.661 nan 8.190 nan 0.000 0.427 152 V N 5.819 125.665 119.914 -0.114 0.000 2.417 152 V HA 0.487 4.605 4.120 -0.003 0.000 0.291 152 V C -0.218 175.838 176.094 -0.063 0.000 1.024 152 V CA -0.584 61.662 62.300 -0.090 0.000 0.861 152 V CB 1.757 33.531 31.823 -0.082 0.000 0.985 152 V HN 0.582 nan 8.190 nan 0.000 0.436 153 I N 4.227 124.772 120.570 -0.041 0.000 2.342 153 I HA 0.798 4.966 4.170 -0.003 0.000 0.291 153 I C 0.725 176.844 176.117 0.004 0.000 1.010 153 I CA 0.334 61.619 61.300 -0.024 0.000 1.308 153 I CB 0.529 38.514 38.000 -0.024 0.000 1.400 153 I HN 0.888 nan 8.210 nan 0.000 0.488 154 G N 5.410 114.216 108.800 0.009 0.000 2.428 154 G HA2 -0.115 3.843 3.960 -0.003 0.000 0.681 154 G HA3 -0.115 3.843 3.960 -0.003 0.000 0.681 154 G C -0.649 174.269 174.900 0.030 0.000 1.340 154 G CA -0.845 44.265 45.100 0.017 0.000 0.915 154 G HN 0.673 nan 8.290 nan 0.000 0.645 155 N N 0.193 118.831 118.700 -0.102 0.000 2.497 155 N HA 0.421 5.159 4.740 -0.003 0.000 0.284 155 N C 0.677 175.705 175.510 -0.803 0.000 1.459 155 N CA 0.096 52.840 53.050 -0.510 0.000 0.899 155 N CB 0.952 39.164 38.487 -0.458 0.000 1.316 155 N HN 0.841 nan 8.380 nan 0.000 0.500 156 G N -0.408 108.278 108.800 -0.189 0.000 2.521 156 G HA2 0.103 4.061 3.960 -0.003 0.000 0.323 156 G HA3 0.103 4.061 3.960 -0.003 0.000 0.323 156 G C 0.691 175.783 174.900 0.320 0.000 1.211 156 G CA -0.320 44.778 45.100 -0.004 0.000 0.979 156 G HN 0.099 nan 8.290 nan 0.000 0.490 157 N N -0.745 118.145 118.700 0.316 0.000 2.381 157 N HA -0.123 4.615 4.740 -0.003 0.000 0.182 157 N C 2.323 178.008 175.510 0.292 0.000 1.025 157 N CA 0.506 53.767 53.050 0.352 0.000 0.888 157 N CB 0.042 38.685 38.487 0.259 0.000 0.965 157 N HN 0.197 nan 8.380 nan 0.000 0.438 158 V N 1.264 121.337 119.914 0.265 0.000 2.515 158 V HA -0.122 3.996 4.120 -0.003 0.000 0.250 158 V C 2.401 178.657 176.094 0.270 0.000 1.058 158 V CA 1.489 63.950 62.300 0.269 0.000 1.064 158 V CB -0.808 31.192 31.823 0.296 0.000 0.675 158 V HN 0.244 nan 8.190 nan 0.000 0.461 159 A N 0.065 123.048 122.820 0.271 0.000 1.933 159 A HA -0.140 4.178 4.320 -0.003 0.000 0.218 159 A C 2.200 179.910 177.584 0.210 0.000 1.175 159 A CA 1.662 53.841 52.037 0.238 0.000 0.628 159 A CB -0.463 18.701 19.000 0.273 0.000 0.814 159 A HN 0.511 nan 8.150 nan 0.000 0.444 160 L N -0.719 120.655 121.223 0.251 0.000 2.093 160 L HA -0.169 4.169 4.340 -0.003 0.000 0.208 160 L C 2.114 179.065 176.870 0.135 0.000 1.085 160 L CA 1.296 56.218 54.840 0.136 0.000 0.755 160 L CB -0.745 41.383 42.059 0.115 0.000 0.904 160 L HN 0.267 nan 8.230 nan 0.000 0.435 161 D N 0.032 120.549 120.400 0.194 0.000 2.104 161 D HA -0.166 4.472 4.640 -0.003 0.000 0.194 161 D C 2.325 178.781 176.300 0.261 0.000 0.994 161 D CA 1.220 55.352 54.000 0.219 0.000 0.830 161 D CB -0.256 40.719 40.800 0.290 0.000 0.959 161 D HN 0.054 nan 8.370 nan 0.000 0.452 162 V N 1.244 121.351 119.914 0.323 0.000 2.287 162 V HA -0.259 3.859 4.120 -0.003 0.000 0.248 162 V C 2.502 178.726 176.094 0.217 0.000 1.053 162 V CA 1.937 64.479 62.300 0.402 0.000 1.027 162 V CB -0.875 31.125 31.823 0.295 0.000 0.646 162 V HN 0.206 nan 8.190 nan 0.000 0.447 163 A N -0.227 122.648 122.820 0.091 0.000 1.877 163 A HA -0.254 4.064 4.320 -0.003 0.000 0.216 163 A C 2.418 180.009 177.584 0.012 0.000 1.186 163 A CA 2.092 54.128 52.037 -0.002 0.000 0.620 163 A CB -0.569 18.374 19.000 -0.096 0.000 0.822 163 A HN 0.474 nan 8.150 nan 0.000 0.443 164 R N -0.560 119.956 120.500 0.028 0.000 2.081 164 R HA -0.093 4.245 4.340 -0.003 0.000 0.235 164 R C 1.870 178.168 176.300 -0.003 0.000 1.131 164 R CA 1.584 57.690 56.100 0.009 0.000 0.960 164 R CB -0.260 30.052 30.300 0.020 0.000 0.856 164 R HN 0.451 nan 8.270 nan 0.000 0.436 165 I N 1.179 121.743 120.570 -0.010 0.000 2.315 165 I HA -0.243 3.925 4.170 -0.003 0.000 0.248 165 I C 2.221 178.345 176.117 0.010 0.000 1.117 165 I CA 1.217 62.458 61.300 -0.099 0.000 1.404 165 I CB -0.966 36.784 38.000 -0.416 0.000 1.071 165 I HN 0.286 nan 8.210 nan 0.000 0.419 166 L N -0.238 121.053 121.223 0.114 0.000 2.191 166 L HA -0.160 4.178 4.340 -0.003 0.000 0.212 166 L C 2.069 178.971 176.870 0.053 0.000 1.103 166 L CA 1.131 56.045 54.840 0.124 0.000 0.769 166 L CB -0.243 41.871 42.059 0.093 0.000 0.908 166 L HN 0.224 nan 8.230 nan 0.000 0.438 167 L N -2.032 119.203 121.223 0.020 0.000 2.858 167 L HA 0.153 4.491 4.340 -0.003 0.000 0.251 167 L C 0.574 177.444 176.870 0.001 0.000 1.149 167 L CA -0.241 54.601 54.840 0.005 0.000 0.955 167 L CB 0.428 42.480 42.059 -0.012 0.000 1.289 167 L HN -0.032 nan 8.230 nan 0.000 0.542 168 T N 0.687 115.237 114.554 -0.006 0.000 2.901 168 T HA -0.027 4.321 4.350 -0.003 0.000 0.301 168 T C 0.070 174.765 174.700 -0.009 0.000 1.012 168 T CA -0.159 61.934 62.100 -0.012 0.000 1.135 168 T CB 0.733 69.583 68.868 -0.030 0.000 0.936 168 T HN 0.027 nan 8.240 nan 0.000 0.539 169 D N 4.012 124.409 120.400 -0.005 0.000 2.570 169 D HA -0.011 4.627 4.640 -0.003 0.000 0.243 169 D C -1.423 174.870 176.300 -0.012 0.000 1.171 169 D CA -1.714 52.283 54.000 -0.005 0.000 0.879 169 D CB 0.975 41.774 40.800 -0.002 0.000 1.143 169 D HN 0.152 nan 8.370 nan 0.000 0.511 170 P HA -0.108 nan 4.420 nan 0.000 0.221 170 P C 0.690 177.976 177.300 -0.023 0.000 1.145 170 P CA 0.690 63.779 63.100 -0.017 0.000 0.795 170 P CB 0.294 31.989 31.700 -0.008 0.000 0.775 171 D N -0.996 119.393 120.400 -0.017 0.000 2.149 171 D HA -0.111 4.527 4.640 -0.003 0.000 0.198 171 D C 1.971 178.259 176.300 -0.019 0.000 0.990 171 D CA 0.931 54.920 54.000 -0.018 0.000 0.839 171 D CB -0.747 40.046 40.800 -0.011 0.000 0.948 171 D HN 0.012 nan 8.370 nan 0.000 0.460 172 V N 0.784 120.687 119.914 -0.018 0.000 2.307 172 V HA -0.181 3.937 4.120 -0.003 0.000 0.245 172 V C 2.557 178.633 176.094 -0.029 0.000 1.045 172 V CA 1.052 63.341 62.300 -0.019 0.000 1.024 172 V CB -0.399 31.415 31.823 -0.016 0.000 0.651 172 V HN 0.213 nan 8.190 nan 0.000 0.449 173 L N 0.274 121.473 121.223 -0.039 0.000 2.191 173 L HA -0.111 4.227 4.340 -0.003 0.000 0.212 173 L C 2.613 179.450 176.870 -0.055 0.000 1.103 173 L CA 1.261 56.068 54.840 -0.056 0.000 0.769 173 L CB -0.781 41.235 42.059 -0.073 0.000 0.908 173 L HN 0.364 nan 8.230 nan 0.000 0.438 174 A N -0.336 122.455 122.820 -0.047 0.000 2.125 174 A HA -0.124 4.194 4.320 -0.003 0.000 0.219 174 A C 2.101 179.663 177.584 -0.036 0.000 1.156 174 A CA 1.084 53.091 52.037 -0.051 0.000 0.671 174 A CB -0.284 18.685 19.000 -0.051 0.000 0.794 174 A HN 0.266 nan 8.150 nan 0.000 0.459 175 R N 0.147 120.631 120.500 -0.026 0.000 2.359 175 R HA 0.066 4.404 4.340 -0.003 0.000 0.231 175 R C 0.578 176.868 176.300 -0.017 0.000 0.913 175 R CA 0.878 56.970 56.100 -0.013 0.000 1.075 175 R CB -0.507 29.787 30.300 -0.009 0.000 1.087 175 R HN 0.677 nan 8.270 nan 0.000 0.515 176 T N -1.749 112.788 114.554 -0.028 0.000 2.937 176 T HA 0.152 4.500 4.350 -0.003 0.000 0.283 176 T C 0.607 175.290 174.700 -0.028 0.000 1.012 176 T CA -0.747 61.337 62.100 -0.027 0.000 0.997 176 T CB 1.843 70.689 68.868 -0.037 0.000 1.136 176 T HN 0.017 nan 8.240 nan 0.000 0.551 177 D N -0.053 120.337 120.400 -0.016 0.000 2.325 177 D HA 0.092 4.731 4.640 -0.003 0.000 0.234 177 D C 0.687 176.966 176.300 -0.034 0.000 1.122 177 D CA -0.579 53.413 54.000 -0.013 0.000 0.850 177 D CB -0.916 39.896 40.800 0.020 0.000 0.921 177 D HN 0.653 nan 8.370 nan 0.000 0.513 178 I N 0.711 121.245 120.570 -0.060 0.000 2.932 178 I HA 0.052 4.220 4.170 -0.003 0.000 0.295 178 I C 0.457 176.471 176.117 -0.171 0.000 1.227 178 I CA -0.353 60.886 61.300 -0.102 0.000 1.429 178 I CB 0.561 38.479 38.000 -0.138 0.000 1.339 178 I HN 0.131 nan 8.210 nan 0.000 0.589 179 A N 5.724 128.381 122.820 -0.271 0.000 2.546 179 A HA -0.012 4.306 4.320 -0.003 0.000 0.243 179 A C 0.953 178.257 177.584 -0.468 0.000 1.063 179 A CA -0.116 51.627 52.037 -0.490 0.000 0.757 179 A CB 0.062 18.510 19.000 -0.920 0.000 0.991 179 A HN 0.885 nan 8.150 nan 0.000 0.503 180 D N 0.964 121.146 120.400 -0.362 0.000 2.133 180 D HA -0.205 4.433 4.640 -0.003 0.000 0.195 180 D C 1.789 177.984 176.300 -0.174 0.000 0.997 180 D CA 2.255 56.128 54.000 -0.211 0.000 0.840 180 D CB -0.366 40.364 40.800 -0.117 0.000 0.947 180 D HN 0.926 nan 8.370 nan 0.000 0.452 181 H N -0.448 118.553 119.070 -0.115 0.000 2.421 181 H HA 0.080 4.634 4.556 -0.003 0.000 0.298 181 H C 1.833 177.085 175.328 -0.128 0.000 1.087 181 H CA 1.246 57.257 56.048 -0.061 0.000 1.330 181 H CB -0.102 29.672 29.762 0.021 0.000 1.388 181 H HN 0.102 nan 8.280 nan 0.000 0.526 182 A N 1.811 124.441 122.820 -0.317 0.000 1.898 182 A HA -0.023 4.295 4.320 -0.003 0.000 0.214 182 A C 2.491 180.020 177.584 -0.093 0.000 1.183 182 A CA 0.814 52.578 52.037 -0.455 0.000 0.622 182 A CB -0.661 17.851 19.000 -0.814 0.000 0.824 182 A HN 0.331 nan 8.150 nan 0.000 0.444 183 L N 0.420 121.567 121.223 -0.125 0.000 2.042 183 L HA -0.200 4.138 4.340 -0.003 0.000 0.210 183 L C 2.193 179.068 176.870 0.008 0.000 1.076 183 L CA 2.424 57.228 54.840 -0.059 0.000 0.749 183 L CB -0.567 41.440 42.059 -0.088 0.000 0.893 183 L HN 0.537 nan 8.230 nan 0.000 0.432 184 E N -1.208 119.012 120.200 0.033 0.000 2.077 184 E HA -0.193 4.155 4.350 -0.003 0.000 0.193 184 E C 2.118 178.789 176.600 0.118 0.000 0.989 184 E CA 1.515 57.958 56.400 0.072 0.000 0.800 184 E CB -0.174 29.581 29.700 0.091 0.000 0.746 184 E HN 0.463 nan 8.360 nan 0.000 0.452 185 S N 0.528 116.348 115.700 0.200 0.000 2.428 185 S HA -0.005 4.463 4.470 -0.003 0.000 0.230 185 S C 1.871 176.589 174.600 0.197 0.000 1.014 185 S CA 0.580 58.929 58.200 0.247 0.000 0.957 185 S CB 0.048 63.514 63.200 0.444 0.000 0.784 185 S HN 0.159 nan 8.310 nan 0.000 0.499 186 L N 0.458 121.780 121.223 0.165 0.000 2.375 186 L HA 0.168 4.506 4.340 -0.003 0.000 0.215 186 L C 2.541 179.452 176.870 0.068 0.000 1.108 186 L CA 0.378 55.291 54.840 0.121 0.000 0.830 186 L CB -0.253 41.863 42.059 0.095 0.000 0.959 186 L HN 0.142 nan 8.230 nan 0.000 0.457 187 R N 0.586 121.118 120.500 0.052 0.000 2.103 187 R HA -0.162 4.176 4.340 -0.003 0.000 0.242 187 R C -0.458 175.858 176.300 0.027 0.000 1.142 187 R CA 1.593 57.710 56.100 0.028 0.000 0.960 187 R CB -1.220 29.091 30.300 0.018 0.000 0.858 187 R HN 0.326 nan 8.270 nan 0.000 0.439 188 P HA -0.013 nan 4.420 nan 0.000 0.242 188 P C -0.746 176.569 177.300 0.025 0.000 1.197 188 P CA 0.377 63.494 63.100 0.028 0.000 0.765 188 P CB 0.195 31.916 31.700 0.035 0.000 0.936 189 R N -1.762 118.756 120.500 0.031 0.000 3.336 189 R HA -0.152 4.186 4.340 -0.003 0.000 0.260 189 R C 1.359 177.672 176.300 0.021 0.000 1.032 189 R CA 0.076 56.190 56.100 0.024 0.000 0.693 189 R CB -2.411 27.895 30.300 0.009 0.000 1.134 189 R HN 0.325 nan 8.270 nan 0.000 0.433 190 G N 0.563 109.382 108.800 0.031 0.000 2.418 190 G HA2 -0.122 3.836 3.960 -0.003 0.000 0.217 190 G HA3 -0.122 3.836 3.960 -0.003 0.000 0.217 190 G C 0.711 175.619 174.900 0.013 0.000 1.158 190 G CA 0.487 45.600 45.100 0.022 0.000 0.771 190 G HN 0.346 nan 8.290 nan 0.000 0.545 191 I N 1.184 121.764 120.570 0.017 0.000 2.517 191 I HA 0.058 4.226 4.170 -0.003 0.000 0.285 191 I C 1.249 177.364 176.117 -0.003 0.000 1.106 191 I CA -0.159 61.143 61.300 0.002 0.000 1.402 191 I CB 1.591 39.592 38.000 0.003 0.000 1.399 191 I HN 0.074 nan 8.210 nan 0.000 0.535 192 Q N 4.343 124.137 119.800 -0.010 0.000 2.396 192 Q HA 0.190 4.528 4.340 -0.003 0.000 0.220 192 Q C 0.175 176.167 176.000 -0.014 0.000 0.900 192 Q CA 0.586 56.383 55.803 -0.009 0.000 0.925 192 Q CB 0.627 29.361 28.738 -0.008 0.000 1.065 192 Q HN 0.686 nan 8.270 nan 0.000 0.535 193 E N 0.006 120.190 120.200 -0.026 0.000 2.275 193 E HA 0.433 4.782 4.350 -0.003 0.000 0.270 193 E C -1.531 175.032 176.600 -0.062 0.000 0.882 193 E CA -0.407 55.969 56.400 -0.040 0.000 0.758 193 E CB 2.205 31.884 29.700 -0.035 0.000 1.195 193 E HN -0.222 nan 8.360 nan 0.000 0.419 194 V N 4.196 124.059 119.914 -0.086 0.000 2.417 194 V HA 0.358 4.476 4.120 -0.003 0.000 0.291 194 V C -0.432 175.566 176.094 -0.160 0.000 1.024 194 V CA -0.788 61.441 62.300 -0.118 0.000 0.861 194 V CB 1.652 33.400 31.823 -0.125 0.000 0.985 194 V HN 0.517 nan 8.190 nan 0.000 0.436 195 V N 6.494 126.316 119.914 -0.154 0.000 2.347 195 V HA 0.475 4.593 4.120 -0.003 0.000 0.280 195 V C -0.069 175.898 176.094 -0.212 0.000 1.021 195 V CA -0.382 61.813 62.300 -0.176 0.000 0.847 195 V CB 1.387 33.140 31.823 -0.116 0.000 0.990 195 V HN 0.668 nan 8.190 nan 0.000 0.444 196 I N 5.242 125.618 120.570 -0.324 0.000 2.315 196 I HA 0.371 4.539 4.170 -0.003 0.000 0.291 196 I C -0.392 175.587 176.117 -0.231 0.000 1.006 196 I CA -0.462 60.656 61.300 -0.304 0.000 1.265 196 I CB 1.643 39.329 38.000 -0.523 0.000 1.387 196 I HN 0.295 nan 8.210 nan 0.000 0.475 197 V N 5.923 125.757 119.914 -0.134 0.000 2.334 197 V HA 0.536 4.654 4.120 -0.003 0.000 0.281 197 V C 0.534 176.590 176.094 -0.062 0.000 1.016 197 V CA -0.508 61.729 62.300 -0.106 0.000 0.832 197 V CB 1.270 33.050 31.823 -0.071 0.000 0.999 197 V HN 0.878 nan 8.190 nan 0.000 0.439 198 G N 3.817 112.572 108.800 -0.075 0.000 2.372 198 G HA2 0.486 4.444 3.960 -0.003 0.000 0.323 198 G HA3 0.486 4.444 3.960 -0.003 0.000 0.323 198 G C 0.702 175.649 174.900 0.078 0.000 1.152 198 G CA -0.673 44.442 45.100 0.026 0.000 0.906 198 G HN 0.827 nan 8.290 nan 0.000 0.460 199 R N 1.490 122.027 120.500 0.061 0.000 2.115 199 R HA 0.125 4.463 4.340 -0.003 0.000 0.226 199 R C 1.077 177.428 176.300 0.084 0.000 1.100 199 R CA 0.339 56.474 56.100 0.058 0.000 0.980 199 R CB 0.108 30.427 30.300 0.031 0.000 0.875 199 R HN 0.412 nan 8.270 nan 0.000 0.445 200 R N 0.364 120.924 120.500 0.100 0.000 2.748 200 R HA 0.395 4.733 4.340 -0.003 0.000 0.220 200 R C 0.341 176.741 176.300 0.167 0.000 1.404 200 R CA -0.354 55.803 56.100 0.095 0.000 1.039 200 R CB 0.373 30.703 30.300 0.050 0.000 1.904 200 R HN 0.205 nan 8.270 nan 0.000 0.529 201 G N -0.032 108.819 108.800 0.085 0.000 2.531 201 G HA2 0.248 4.206 3.960 -0.003 0.000 0.313 201 G HA3 0.248 4.206 3.960 -0.003 0.000 0.313 201 G C -2.050 172.750 174.900 -0.167 0.000 1.238 201 G CA -1.212 43.889 45.100 0.003 0.000 0.994 201 G HN 0.229 nan 8.290 nan 0.000 0.493 202 P HA -0.064 nan 4.420 nan 0.000 0.216 202 P C 2.023 179.183 177.300 -0.232 0.000 1.150 202 P CA 0.769 63.454 63.100 -0.691 0.000 0.837 202 P CB 0.134 31.351 31.700 -0.805 0.000 0.786 203 L N -1.501 119.622 121.223 -0.167 0.000 2.265 203 L HA -0.165 4.173 4.340 -0.003 0.000 0.215 203 L C 1.805 178.646 176.870 -0.048 0.000 1.117 203 L CA 1.357 56.147 54.840 -0.084 0.000 0.782 203 L CB -0.659 41.359 42.059 -0.069 0.000 0.914 203 L HN -0.019 nan 8.230 nan 0.000 0.441 204 Q N -0.340 119.434 119.800 -0.043 0.000 2.319 204 Q HA 0.259 4.597 4.340 -0.003 0.000 0.202 204 Q C 0.625 176.606 176.000 -0.031 0.000 0.896 204 Q CA 0.001 55.790 55.803 -0.023 0.000 0.942 204 Q CB 0.352 29.085 28.738 -0.008 0.000 1.083 204 Q HN 0.351 nan 8.270 nan 0.000 0.510 205 A N 0.444 123.248 122.820 -0.027 0.000 2.498 205 A HA 0.405 4.723 4.320 -0.003 0.000 0.239 205 A C 0.915 178.415 177.584 -0.139 0.000 1.068 205 A CA 0.607 52.577 52.037 -0.112 0.000 0.766 205 A CB 0.302 19.311 19.000 0.015 0.000 1.003 205 A HN 0.381 nan 8.150 nan 0.000 0.497 206 A N 2.242 124.896 122.820 -0.278 0.000 2.275 206 A HA 0.463 4.781 4.320 -0.003 0.000 0.212 206 A C 0.260 177.823 177.584 -0.034 0.000 1.201 206 A CA -0.276 51.682 52.037 -0.132 0.000 0.843 206 A CB -0.323 18.609 19.000 -0.114 0.000 0.873 206 A HN 0.632 nan 8.150 nan 0.000 0.492 207 F N 1.536 121.562 119.950 0.125 0.000 2.589 207 F HA 0.311 4.836 4.527 -0.003 0.000 0.352 207 F C 1.466 177.325 175.800 0.097 0.000 1.168 207 F CA 0.511 58.589 58.000 0.130 0.000 1.353 207 F CB 0.198 39.294 39.000 0.160 0.000 1.116 207 F HN 0.147 nan 8.300 nan 0.000 0.608 208 T N -2.785 111.951 114.554 0.304 0.000 2.949 208 T HA 0.357 4.705 4.350 -0.003 0.000 0.287 208 T C 0.821 175.614 174.700 0.155 0.000 1.034 208 T CA -0.583 61.629 62.100 0.187 0.000 1.018 208 T CB 1.413 70.364 68.868 0.138 0.000 1.135 208 T HN 0.503 nan 8.240 nan 0.000 0.532 209 T N 0.882 115.498 114.554 0.104 0.000 2.770 209 T HA -0.056 4.292 4.350 -0.003 0.000 0.263 209 T C 1.875 176.614 174.700 0.064 0.000 1.039 209 T CA 1.043 63.187 62.100 0.074 0.000 1.142 209 T CB -0.400 68.495 68.868 0.045 0.000 0.868 209 T HN 0.448 nan 8.240 nan 0.000 0.435 210 L N 1.589 122.850 121.223 0.063 0.000 2.046 210 L HA -0.063 4.275 4.340 -0.003 0.000 0.208 210 L C 2.160 179.072 176.870 0.069 0.000 1.077 210 L CA 1.840 56.713 54.840 0.056 0.000 0.747 210 L CB -0.628 41.461 42.059 0.050 0.000 0.896 210 L HN 0.058 nan 8.230 nan 0.000 0.432 211 E N -0.227 120.024 120.200 0.086 0.000 2.110 211 E HA -0.198 4.150 4.350 -0.003 0.000 0.193 211 E C 2.210 178.855 176.600 0.073 0.000 0.988 211 E CA 1.596 58.051 56.400 0.093 0.000 0.804 211 E CB -0.446 29.333 29.700 0.131 0.000 0.745 211 E HN 0.501 nan 8.360 nan 0.000 0.458 212 L N 0.109 121.371 121.223 0.064 0.000 2.056 212 L HA -0.125 4.213 4.340 -0.003 0.000 0.207 212 L C 2.424 179.395 176.870 0.168 0.000 1.078 212 L CA 1.148 56.025 54.840 0.060 0.000 0.749 212 L CB -0.230 41.846 42.059 0.028 0.000 0.901 212 L HN 0.066 nan 8.230 nan 0.000 0.433 213 R N -0.031 120.538 120.500 0.115 0.000 2.105 213 R HA -0.176 4.162 4.340 -0.003 0.000 0.239 213 R C 2.015 178.399 176.300 0.140 0.000 1.135 213 R CA 1.274 57.440 56.100 0.111 0.000 0.967 213 R CB -0.281 30.045 30.300 0.043 0.000 0.861 213 R HN 0.462 nan 8.270 nan 0.000 0.442 214 E N 0.707 120.968 120.200 0.103 0.000 2.338 214 E HA -0.136 4.212 4.350 -0.003 0.000 0.197 214 E C 1.869 178.518 176.600 0.083 0.000 1.007 214 E CA 0.591 57.040 56.400 0.080 0.000 0.849 214 E CB -0.035 29.701 29.700 0.060 0.000 0.774 214 E HN 0.369 nan 8.360 nan 0.000 0.506 215 L N 0.296 121.578 121.223 0.099 0.000 2.265 215 L HA -0.140 4.198 4.340 -0.003 0.000 0.215 215 L C 2.474 179.371 176.870 0.044 0.000 1.117 215 L CA 0.683 55.540 54.840 0.030 0.000 0.782 215 L CB -0.449 41.569 42.059 -0.069 0.000 0.914 215 L HN 0.110 nan 8.230 nan 0.000 0.441 216 A N -0.381 122.545 122.820 0.177 0.000 2.067 216 A HA -0.165 4.153 4.320 -0.003 0.000 0.219 216 A C 1.673 179.316 177.584 0.098 0.000 1.158 216 A CA 1.406 53.561 52.037 0.197 0.000 0.661 216 A CB -0.285 18.863 19.000 0.246 0.000 0.801 216 A HN 0.346 nan 8.150 nan 0.000 0.452 217 D N -0.323 120.120 120.400 0.071 0.000 2.349 217 D HA 0.090 4.729 4.640 -0.003 0.000 0.224 217 D C 0.169 176.489 176.300 0.033 0.000 1.029 217 D CA 0.181 54.209 54.000 0.046 0.000 0.879 217 D CB -0.072 40.751 40.800 0.039 0.000 0.906 217 D HN 0.376 nan 8.370 nan 0.000 0.528 218 L N 1.996 123.237 121.223 0.029 0.000 2.515 218 L HA 0.126 4.464 4.340 -0.003 0.000 0.281 218 L C 0.766 177.653 176.870 0.029 0.000 1.131 218 L CA -0.265 54.586 54.840 0.019 0.000 0.905 218 L CB -0.311 41.750 42.059 0.004 0.000 1.246 218 L HN 0.002 nan 8.230 nan 0.000 0.463 219 D N 2.705 123.123 120.400 0.030 0.000 2.434 219 D HA 0.375 5.013 4.640 -0.003 0.000 0.252 219 D C 1.327 177.664 176.300 0.061 0.000 1.185 219 D CA 0.390 54.414 54.000 0.041 0.000 0.886 219 D CB 0.795 41.614 40.800 0.032 0.000 1.148 219 D HN 0.941 nan 8.370 nan 0.000 0.483 220 G N 0.610 109.465 108.800 0.092 0.000 2.199 220 G HA2 -0.161 3.797 3.960 -0.003 0.000 0.254 220 G HA3 -0.161 3.797 3.960 -0.003 0.000 0.254 220 G C 0.608 175.643 174.900 0.224 0.000 0.982 220 G CA 0.317 45.531 45.100 0.189 0.000 0.632 220 G HN 1.372 nan 8.290 nan 0.000 0.529 221 V N 2.087 122.062 119.914 0.100 0.000 2.432 221 V HA 0.414 4.532 4.120 -0.003 0.000 0.275 221 V C -0.180 175.928 176.094 0.024 0.000 1.043 221 V CA -0.711 61.627 62.300 0.063 0.000 0.925 221 V CB 1.547 33.380 31.823 0.017 0.000 0.985 221 V HN 0.247 nan 8.190 nan 0.000 0.466 222 D N 3.671 124.082 120.400 0.017 0.000 2.277 222 D HA 0.283 4.921 4.640 -0.003 0.000 0.249 222 D C -0.192 176.086 176.300 -0.037 0.000 1.134 222 D CA -0.072 53.916 54.000 -0.020 0.000 0.863 222 D CB 1.901 42.688 40.800 -0.022 0.000 1.143 222 D HN 0.254 nan 8.370 nan 0.000 0.458 223 V N 3.144 123.011 119.914 -0.078 0.000 2.432 223 V HA 0.160 4.278 4.120 -0.003 0.000 0.271 223 V C 0.415 176.511 176.094 0.004 0.000 1.046 223 V CA -0.539 61.685 62.300 -0.128 0.000 0.945 223 V CB 1.283 32.785 31.823 -0.535 0.000 0.992 223 V HN 0.219 nan 8.190 nan 0.000 0.471 224 V N 7.145 127.094 119.914 0.059 0.000 2.384 224 V HA 0.548 4.666 4.120 -0.003 0.000 0.287 224 V C -0.168 176.027 176.094 0.168 0.000 1.020 224 V CA -0.346 62.010 62.300 0.092 0.000 0.850 224 V CB 1.540 33.394 31.823 0.052 0.000 0.987 224 V HN 0.698 nan 8.190 nan 0.000 0.436 225 I N 3.157 123.829 120.570 0.170 0.000 2.500 225 I HA 0.313 4.481 4.170 -0.003 0.000 0.286 225 I C -0.628 175.577 176.117 0.147 0.000 1.063 225 I CA -0.609 60.812 61.300 0.202 0.000 1.062 225 I CB 2.016 40.154 38.000 0.230 0.000 1.223 225 I HN 0.493 nan 8.210 nan 0.000 0.435 226 D N 8.801 129.282 120.400 0.135 0.000 2.472 226 D HA 0.046 4.684 4.640 -0.003 0.000 0.248 226 D C -1.556 174.805 176.300 0.100 0.000 1.174 226 D CA -1.435 52.626 54.000 0.102 0.000 0.883 226 D CB 1.517 42.373 40.800 0.094 0.000 1.149 226 D HN 0.230 nan 8.370 nan 0.000 0.488 227 P HA -0.139 nan 4.420 nan 0.000 0.218 227 P C 0.873 178.205 177.300 0.052 0.000 1.146 227 P CA 1.465 64.599 63.100 0.057 0.000 0.813 227 P CB 0.102 31.826 31.700 0.039 0.000 0.778 228 A N 0.034 122.888 122.820 0.058 0.000 2.070 228 A HA -0.193 4.125 4.320 -0.003 0.000 0.220 228 A C 2.029 179.652 177.584 0.066 0.000 1.159 228 A CA 1.253 53.321 52.037 0.053 0.000 0.656 228 A CB -0.818 18.213 19.000 0.052 0.000 0.800 228 A HN 0.142 nan 8.150 nan 0.000 0.453 229 E N -0.299 119.962 120.200 0.102 0.000 2.268 229 E HA -0.071 4.277 4.350 -0.003 0.000 0.195 229 E C 1.367 177.987 176.600 0.034 0.000 0.995 229 E CA 0.863 57.346 56.400 0.138 0.000 0.836 229 E CB -0.118 29.764 29.700 0.303 0.000 0.763 229 E HN 0.705 nan 8.360 nan 0.000 0.491 230 L N 1.241 122.473 121.223 0.015 0.000 2.731 230 L HA 0.080 4.418 4.340 -0.003 0.000 0.240 230 L C 0.798 177.653 176.870 -0.024 0.000 1.120 230 L CA -0.323 54.496 54.840 -0.035 0.000 0.913 230 L CB 0.187 42.227 42.059 -0.032 0.000 1.213 230 L HN -0.032 nan 8.230 nan 0.000 0.515 231 D N 0.987 121.385 120.400 -0.003 0.000 2.458 231 D HA 0.067 4.705 4.640 -0.003 0.000 0.243 231 D C 1.077 177.372 176.300 -0.010 0.000 1.146 231 D CA 1.053 55.051 54.000 -0.003 0.000 0.877 231 D CB 1.560 42.365 40.800 0.008 0.000 1.176 231 D HN 0.211 nan 8.370 nan 0.000 0.461 232 G N 2.632 111.425 108.800 -0.012 0.000 2.225 232 G HA2 -0.238 3.720 3.960 -0.003 0.000 0.254 232 G HA3 -0.238 3.720 3.960 -0.003 0.000 0.254 232 G C 0.387 175.274 174.900 -0.022 0.000 0.988 232 G CA 0.182 45.273 45.100 -0.014 0.000 0.625 232 G HN 0.576 nan 8.290 nan 0.000 0.527 233 I N 3.343 123.893 120.570 -0.033 0.000 2.436 233 I HA 0.332 4.500 4.170 -0.003 0.000 0.289 233 I C 1.399 177.494 176.117 -0.037 0.000 1.083 233 I CA 0.188 61.462 61.300 -0.043 0.000 1.372 233 I CB -0.268 37.691 38.000 -0.068 0.000 1.408 233 I HN 0.372 nan 8.210 nan 0.000 0.516 234 T N 1.284 115.819 114.554 -0.031 0.000 2.881 234 T HA 0.274 4.622 4.350 -0.003 0.000 0.278 234 T C 0.973 175.656 174.700 -0.029 0.000 0.982 234 T CA -0.713 61.371 62.100 -0.027 0.000 0.989 234 T CB 1.678 70.533 68.868 -0.021 0.000 1.058 234 T HN 0.467 nan 8.240 nan 0.000 0.529 235 D N 0.892 121.276 120.400 -0.026 0.000 2.149 235 D HA -0.089 4.549 4.640 -0.003 0.000 0.198 235 D C 2.461 178.749 176.300 -0.022 0.000 0.990 235 D CA 1.934 55.919 54.000 -0.025 0.000 0.839 235 D CB -0.537 40.250 40.800 -0.022 0.000 0.948 235 D HN 0.911 nan 8.370 nan 0.000 0.460 236 E N 1.647 121.836 120.200 -0.019 0.000 2.077 236 E HA -0.193 4.155 4.350 -0.003 0.000 0.193 236 E C 1.747 178.337 176.600 -0.018 0.000 0.989 236 E CA 1.449 57.840 56.400 -0.016 0.000 0.800 236 E CB -0.640 29.051 29.700 -0.014 0.000 0.746 236 E HN 0.219 nan 8.360 nan 0.000 0.452 237 D N 0.175 120.562 120.400 -0.021 0.000 2.104 237 D HA -0.076 4.562 4.640 -0.003 0.000 0.194 237 D C 2.288 178.573 176.300 -0.025 0.000 0.994 237 D CA 1.878 55.864 54.000 -0.023 0.000 0.830 237 D CB -0.554 40.229 40.800 -0.028 0.000 0.959 237 D HN 0.488 nan 8.370 nan 0.000 0.452 238 A N 1.309 124.112 122.820 -0.029 0.000 1.858 238 A HA -0.084 4.234 4.320 -0.003 0.000 0.216 238 A C 2.373 179.946 177.584 -0.020 0.000 1.190 238 A CA 2.594 54.614 52.037 -0.029 0.000 0.617 238 A CB -0.962 18.018 19.000 -0.033 0.000 0.827 238 A HN 0.240 nan 8.150 nan 0.000 0.443 239 A N -0.247 122.562 122.820 -0.018 0.000 1.986 239 A HA 0.074 4.392 4.320 -0.003 0.000 0.220 239 A C 2.425 180.003 177.584 -0.011 0.000 1.171 239 A CA 2.259 54.288 52.037 -0.013 0.000 0.640 239 A CB -0.945 18.048 19.000 -0.013 0.000 0.811 239 A HN 1.171 nan 8.150 nan 0.000 0.451 240 A N -0.830 121.983 122.820 -0.012 0.000 2.015 240 A HA 0.118 4.436 4.320 -0.003 0.000 0.219 240 A C 2.148 179.726 177.584 -0.010 0.000 1.163 240 A CA 1.555 53.586 52.037 -0.010 0.000 0.646 240 A CB -0.567 18.427 19.000 -0.011 0.000 0.806 240 A HN 0.361 nan 8.150 nan 0.000 0.448 241 V N -1.097 118.810 119.914 -0.011 0.000 2.346 241 V HA 0.330 4.448 4.120 -0.003 0.000 0.244 241 V C 1.399 177.490 176.094 -0.005 0.000 1.037 241 V CA 1.430 63.724 62.300 -0.009 0.000 1.029 241 V CB -0.942 30.874 31.823 -0.012 0.000 0.663 241 V HN 0.912 nan 8.190 nan 0.000 0.454 242 G N -1.345 107.452 108.800 -0.004 0.000 2.320 242 G HA2 0.159 4.117 3.960 -0.003 0.000 0.297 242 G HA3 0.159 4.117 3.960 -0.003 0.000 0.297 242 G C 0.021 174.922 174.900 0.001 0.000 1.344 242 G CA 0.112 45.212 45.100 0.000 0.000 0.851 242 G HN -0.035 nan 8.290 nan 0.000 0.567 243 K N -0.591 119.811 120.400 0.004 0.000 2.057 243 K HA -0.020 4.298 4.320 -0.003 0.000 0.207 243 K C 2.412 179.017 176.600 0.009 0.000 1.049 243 K CA 2.180 58.469 56.287 0.004 0.000 0.931 243 K CB -0.313 32.191 32.500 0.006 0.000 0.714 243 K HN 0.276 nan 8.250 nan 0.000 0.440 244 V N 1.021 120.945 119.914 0.017 0.000 2.295 244 V HA -0.317 3.801 4.120 -0.003 0.000 0.246 244 V C 2.592 178.702 176.094 0.028 0.000 1.049 244 V CA 1.849 64.166 62.300 0.028 0.000 1.024 244 V CB -0.544 31.303 31.823 0.040 0.000 0.648 244 V HN 0.643 nan 8.190 nan 0.000 0.447 245 C N 1.582 120.894 119.300 0.020 0.000 2.413 245 C HA -0.197 4.261 4.460 -0.003 0.000 0.276 245 C C 3.306 178.295 174.990 -0.003 0.000 1.248 245 C CA 1.986 61.011 59.018 0.011 0.000 1.742 245 C CB -1.022 26.718 27.740 -0.000 0.000 2.017 245 C HN 0.678 nan 8.230 nan 0.000 0.481 246 K N -0.282 120.114 120.400 -0.007 0.000 2.063 246 K HA -0.146 4.173 4.320 -0.003 0.000 0.208 246 K C 1.814 178.403 176.600 -0.019 0.000 1.048 246 K CA 1.814 58.091 56.287 -0.016 0.000 0.928 246 K CB -1.138 31.354 32.500 -0.015 0.000 0.713 246 K HN 0.746 nan 8.250 nan 0.000 0.442 247 Q N 0.853 120.647 119.800 -0.010 0.000 2.079 247 Q HA 0.021 4.359 4.340 -0.003 0.000 0.200 247 Q C 2.128 178.118 176.000 -0.017 0.000 0.974 247 Q CA 1.693 57.488 55.803 -0.014 0.000 0.840 247 Q CB -0.777 27.960 28.738 -0.003 0.000 0.898 247 Q HN 0.569 nan 8.270 nan 0.000 0.430 248 N N 0.811 119.514 118.700 0.005 0.000 2.061 248 N HA -0.134 4.604 4.740 -0.003 0.000 0.193 248 N C 1.766 177.261 175.510 -0.025 0.000 1.030 248 N CA 0.983 54.043 53.050 0.016 0.000 0.856 248 N CB -0.330 38.198 38.487 0.068 0.000 1.023 248 N HN 0.184 nan 8.380 nan 0.000 0.424 249 I N 1.523 122.071 120.570 -0.037 0.000 2.163 249 I HA -0.225 3.943 4.170 -0.003 0.000 0.243 249 I C 1.956 178.030 176.117 -0.072 0.000 1.085 249 I CA 1.183 62.445 61.300 -0.064 0.000 1.347 249 I CB -0.924 37.038 38.000 -0.064 0.000 1.044 249 I HN 0.192 nan 8.210 nan 0.000 0.408 250 K N 0.330 120.689 120.400 -0.067 0.000 2.044 250 K HA -0.168 4.150 4.320 -0.003 0.000 0.210 250 K C 2.126 178.649 176.600 -0.129 0.000 1.049 250 K CA 1.450 57.687 56.287 -0.083 0.000 0.927 250 K CB -0.313 32.145 32.500 -0.069 0.000 0.713 250 K HN 0.145 nan 8.250 nan 0.000 0.443 251 V N 1.722 121.550 119.914 -0.144 0.000 2.358 251 V HA -0.225 3.894 4.120 -0.003 0.000 0.246 251 V C 2.203 178.104 176.094 -0.320 0.000 1.047 251 V CA 1.550 63.695 62.300 -0.258 0.000 1.035 251 V CB -0.430 31.284 31.823 -0.182 0.000 0.658 251 V HN 0.269 nan 8.190 nan 0.000 0.452 252 L N -0.611 120.526 121.223 -0.143 0.000 2.017 252 L HA -0.182 4.156 4.340 -0.003 0.000 0.208 252 L C 2.790 179.632 176.870 -0.048 0.000 1.073 252 L CA 1.695 56.499 54.840 -0.060 0.000 0.745 252 L CB -0.660 41.359 42.059 -0.067 0.000 0.894 252 L HN 0.210 nan 8.230 nan 0.000 0.432 253 R N -0.038 120.416 120.500 -0.076 0.000 2.117 253 R HA -0.158 4.180 4.340 -0.003 0.000 0.243 253 R C 2.346 178.604 176.300 -0.070 0.000 1.143 253 R CA 1.371 57.438 56.100 -0.055 0.000 0.968 253 R CB -0.780 29.484 30.300 -0.060 0.000 0.863 253 R HN 0.484 nan 8.270 nan 0.000 0.444 254 G N -0.035 108.669 108.800 -0.160 0.000 2.422 254 G HA2 -0.258 3.701 3.960 -0.003 0.000 0.218 254 G HA3 -0.258 3.701 3.960 -0.003 0.000 0.218 254 G C 0.892 175.702 174.900 -0.150 0.000 1.146 254 G CA 0.665 45.644 45.100 -0.203 0.000 0.769 254 G HN 0.250 nan 8.290 nan 0.000 0.547 255 Y N 1.167 121.451 120.300 -0.027 0.000 2.163 255 Y HA 0.134 4.682 4.550 -0.003 0.000 0.288 255 Y C 3.136 179.041 175.900 0.008 0.000 1.136 255 Y CA 0.247 58.341 58.100 -0.010 0.000 1.147 255 Y CB -0.944 37.506 38.460 -0.017 0.000 0.987 255 Y HN 0.243 nan 8.280 nan 0.000 0.509 256 A N 0.052 122.966 122.820 0.156 0.000 1.986 256 A HA -0.204 4.114 4.320 -0.003 0.000 0.220 256 A C 1.699 179.324 177.584 0.068 0.000 1.171 256 A CA 2.061 54.161 52.037 0.105 0.000 0.640 256 A CB -0.710 18.336 19.000 0.077 0.000 0.811 256 A HN 0.353 nan 8.150 nan 0.000 0.451 257 D N -0.494 119.932 120.400 0.044 0.000 2.371 257 D HA 0.004 4.642 4.640 -0.003 0.000 0.221 257 D C 0.526 176.843 176.300 0.029 0.000 0.986 257 D CA 0.565 54.579 54.000 0.023 0.000 0.899 257 D CB -0.010 40.789 40.800 -0.002 0.000 0.902 257 D HN 0.452 nan 8.370 nan 0.000 0.530 258 R N 0.961 121.491 120.500 0.050 0.000 2.387 258 R HA 0.328 4.666 4.340 -0.003 0.000 0.314 258 R C -0.097 176.225 176.300 0.038 0.000 0.958 258 R CA -0.510 55.614 56.100 0.041 0.000 0.846 258 R CB 1.884 32.217 30.300 0.055 0.000 1.147 258 R HN 0.009 nan 8.270 nan 0.000 0.447 259 E N 4.402 124.614 120.200 0.020 0.000 2.360 259 E HA 0.100 4.448 4.350 -0.003 0.000 0.269 259 E C -1.794 174.807 176.600 0.001 0.000 1.022 259 E CA -1.487 54.922 56.400 0.015 0.000 0.887 259 E CB 0.594 30.300 29.700 0.010 0.000 0.990 259 E HN 0.310 nan 8.360 nan 0.000 0.426 260 P HA 0.117 nan 4.420 nan 0.000 0.274 260 P C -0.898 176.391 177.300 -0.020 0.000 1.237 260 P CA -0.153 62.941 63.100 -0.010 0.000 0.793 260 P CB 0.743 32.451 31.700 0.012 0.000 0.977 261 R N 1.556 122.026 120.500 -0.050 0.000 2.338 261 R HA 0.446 4.785 4.340 -0.003 0.000 0.317 261 R C -2.228 174.140 176.300 0.113 0.000 0.968 261 R CA -1.928 54.164 56.100 -0.013 0.000 0.849 261 R CB 0.306 30.494 30.300 -0.187 0.000 1.128 261 R HN 0.356 nan 8.270 nan 0.000 0.448 262 P HA -0.027 nan 4.420 nan 0.000 0.264 262 P C 0.689 178.063 177.300 0.124 0.000 1.183 262 P CA 0.904 64.059 63.100 0.091 0.000 0.763 262 P CB 0.702 32.438 31.700 0.059 0.000 0.807 263 G N 1.145 109.991 108.800 0.076 0.000 2.225 263 G HA2 -0.218 3.740 3.960 -0.003 0.000 0.254 263 G HA3 -0.218 3.740 3.960 -0.003 0.000 0.254 263 G C 0.263 175.147 174.900 -0.026 0.000 0.988 263 G CA -0.283 44.827 45.100 0.017 0.000 0.625 263 G HN 0.658 nan 8.290 nan 0.000 0.527 264 H N 1.121 120.192 119.070 0.001 0.000 2.562 264 H HA 0.323 4.877 4.556 -0.003 0.000 0.352 264 H C 0.965 176.289 175.328 -0.005 0.000 1.125 264 H CA -0.422 55.626 56.048 -0.000 0.000 1.379 264 H CB 0.610 30.374 29.762 0.002 0.000 1.464 264 H HN 0.213 nan 8.280 nan 0.000 0.563 265 R N 2.362 122.910 120.500 0.080 0.000 2.679 265 R HA 0.131 4.469 4.340 -0.003 0.000 0.268 265 R C 0.003 176.333 176.300 0.050 0.000 1.044 265 R CA 0.298 56.424 56.100 0.044 0.000 1.105 265 R CB 0.510 30.823 30.300 0.021 0.000 0.989 265 R HN 0.548 nan 8.270 nan 0.000 0.447 266 R N 1.439 121.946 120.500 0.011 0.000 2.686 266 R HA 0.380 4.718 4.340 -0.003 0.000 0.283 266 R C -0.633 175.636 176.300 -0.051 0.000 0.978 266 R CA -0.626 55.468 56.100 -0.009 0.000 0.897 266 R CB 2.260 32.557 30.300 -0.004 0.000 1.192 266 R HN 0.424 nan 8.270 nan 0.000 0.457 267 M N 3.163 122.716 119.600 -0.078 0.000 2.114 267 M HA 0.411 4.889 4.480 -0.003 0.000 0.332 267 M C -1.490 174.719 176.300 -0.153 0.000 1.014 267 M CA -0.821 54.386 55.300 -0.154 0.000 0.956 267 M CB 1.515 34.005 32.600 -0.183 0.000 1.551 267 M HN 0.370 nan 8.290 nan 0.000 0.427 268 V N 5.751 125.546 119.914 -0.199 0.000 2.417 268 V HA 0.459 4.577 4.120 -0.003 0.000 0.291 268 V C -0.865 175.081 176.094 -0.246 0.000 1.024 268 V CA -0.504 61.727 62.300 -0.115 0.000 0.861 268 V CB 1.547 33.330 31.823 -0.067 0.000 0.985 268 V HN 0.672 nan 8.190 nan 0.000 0.436 269 F N 4.576 124.462 119.950 -0.108 0.000 2.405 269 F HA 0.599 5.124 4.527 -0.003 0.000 0.355 269 F C 0.756 176.403 175.800 -0.256 0.000 1.121 269 F CA -0.371 57.495 58.000 -0.223 0.000 1.112 269 F CB 1.040 39.941 39.000 -0.165 0.000 1.126 269 F HN 0.224 nan 8.300 nan 0.000 0.481 270 R N 4.151 124.513 120.500 -0.229 0.000 2.437 270 R HA 0.482 4.820 4.340 -0.003 0.000 0.310 270 R C -1.222 174.886 176.300 -0.320 0.000 0.955 270 R CA -0.714 55.294 56.100 -0.153 0.000 0.851 270 R CB 1.642 31.898 30.300 -0.074 0.000 1.161 270 R HN 0.479 nan 8.270 nan 0.000 0.446 271 F N 1.231 121.259 119.950 0.129 0.000 2.518 271 F HA 0.392 4.918 4.527 -0.003 0.000 0.338 271 F C 1.412 177.252 175.800 0.067 0.000 1.065 271 F CA -1.009 57.056 58.000 0.108 0.000 1.012 271 F CB 0.584 39.650 39.000 0.109 0.000 1.297 271 F HN 0.336 nan 8.300 nan 0.000 0.489 272 L N 0.526 121.909 121.223 0.267 0.000 3.742 272 L HA -0.236 4.102 4.340 -0.003 0.000 0.431 272 L C -0.862 176.064 176.870 0.093 0.000 1.220 272 L CA 0.315 55.241 54.840 0.144 0.000 0.863 272 L CB -2.483 39.649 42.059 0.121 0.000 1.751 272 L HN 0.636 nan 8.230 nan 0.000 0.922 273 T N -1.101 113.498 114.554 0.076 0.000 2.916 273 T HA 0.591 4.939 4.350 -0.003 0.000 0.298 273 T C -0.177 174.536 174.700 0.022 0.000 1.031 273 T CA -0.484 61.639 62.100 0.038 0.000 0.993 273 T CB 2.363 71.244 68.868 0.021 0.000 1.045 273 T HN 0.102 nan 8.240 nan 0.000 0.454 274 S N 3.685 119.393 115.700 0.014 0.000 2.513 274 S HA 0.688 5.156 4.470 -0.003 0.000 0.299 274 S C -2.646 171.952 174.600 -0.003 0.000 1.087 274 S CA -1.394 56.809 58.200 0.005 0.000 1.012 274 S CB 1.747 64.952 63.200 0.008 0.000 1.044 274 S HN 0.514 nan 8.310 nan 0.000 0.485 275 P HA 0.290 nan 4.420 nan 0.000 0.281 275 P C 0.017 177.311 177.300 -0.010 0.000 1.252 275 P CA -0.341 62.751 63.100 -0.014 0.000 0.778 275 P CB 0.647 32.335 31.700 -0.020 0.000 0.895 276 I N 1.268 121.832 120.570 -0.009 0.000 3.039 276 I HA 0.239 4.407 4.170 -0.003 0.000 0.270 276 I C 0.980 177.091 176.117 -0.009 0.000 1.150 276 I CA 1.009 62.305 61.300 -0.007 0.000 1.448 276 I CB -0.408 37.590 38.000 -0.005 0.000 1.197 276 I HN 0.466 nan 8.210 nan 0.000 0.450 277 E N 0.615 120.808 120.200 -0.012 0.000 2.354 277 E HA 0.422 4.770 4.350 -0.003 0.000 0.283 277 E C -1.578 175.012 176.600 -0.017 0.000 0.938 277 E CA -0.414 55.978 56.400 -0.013 0.000 0.777 277 E CB 2.406 32.100 29.700 -0.011 0.000 1.222 277 E HN -0.005 nan 8.360 nan 0.000 0.423 278 I N 3.706 124.264 120.570 -0.019 0.000 2.336 278 I HA 0.401 4.569 4.170 -0.003 0.000 0.292 278 I C -0.201 175.904 176.117 -0.020 0.000 0.991 278 I CA -0.528 60.758 61.300 -0.023 0.000 1.227 278 I CB 1.405 39.389 38.000 -0.027 0.000 1.366 278 I HN 0.286 nan 8.210 nan 0.000 0.466 279 K N 4.038 124.426 120.400 -0.021 0.000 2.385 279 K HA 0.905 5.223 4.320 -0.003 0.000 0.248 279 K C -0.465 176.123 176.600 -0.019 0.000 0.955 279 K CA -0.929 55.347 56.287 -0.018 0.000 0.816 279 K CB 2.689 35.180 32.500 -0.015 0.000 1.250 279 K HN 0.834 nan 8.250 nan 0.000 0.434 280 G N 0.838 109.628 108.800 -0.017 0.000 2.340 280 G HA2 0.037 3.995 3.960 -0.003 0.000 0.300 280 G HA3 0.037 3.995 3.960 -0.003 0.000 0.300 280 G C -0.477 174.414 174.900 -0.015 0.000 1.488 280 G CA -0.768 44.322 45.100 -0.017 0.000 0.878 280 G HN 0.476 nan 8.290 nan 0.000 0.618 281 K N -0.430 119.962 120.400 -0.014 0.000 2.007 281 K HA 0.066 4.384 4.320 -0.003 0.000 0.206 281 K C 2.029 178.621 176.600 -0.013 0.000 1.047 281 K CA 1.199 57.478 56.287 -0.012 0.000 0.937 281 K CB 0.105 32.598 32.500 -0.011 0.000 0.718 281 K HN 0.368 nan 8.250 nan 0.000 0.438 282 R N 0.140 120.631 120.500 -0.015 0.000 2.544 282 R HA 0.118 4.456 4.340 -0.003 0.000 0.303 282 R C -0.236 176.052 176.300 -0.019 0.000 0.939 282 R CA 0.019 56.109 56.100 -0.016 0.000 1.102 282 R CB 0.937 31.228 30.300 -0.014 0.000 1.440 282 R HN 0.111 nan 8.270 nan 0.000 0.532 283 K N -0.780 119.608 120.400 -0.021 0.000 2.533 283 K HA 0.340 4.658 4.320 -0.003 0.000 0.284 283 K C -0.639 175.945 176.600 -0.028 0.000 1.025 283 K CA -0.880 55.391 56.287 -0.026 0.000 0.900 283 K CB 1.550 34.034 32.500 -0.028 0.000 1.519 283 K HN -0.265 nan 8.250 nan 0.000 0.432 284 V N 1.974 121.868 119.914 -0.034 0.000 2.540 284 V HA -0.029 4.089 4.120 -0.003 0.000 0.297 284 V C 0.531 176.606 176.094 -0.032 0.000 1.024 284 V CA 0.768 63.047 62.300 -0.035 0.000 1.105 284 V CB 0.379 32.174 31.823 -0.045 0.000 0.938 284 V HN 0.876 nan 8.190 nan 0.000 0.482 285 E N 3.827 124.011 120.200 -0.028 0.000 2.444 285 E HA 0.214 4.563 4.350 -0.003 0.000 0.209 285 E C 0.449 177.034 176.600 -0.025 0.000 0.806 285 E CA -0.137 56.248 56.400 -0.024 0.000 1.240 285 E CB 0.850 30.538 29.700 -0.020 0.000 1.238 285 E HN 0.792 nan 8.360 nan 0.000 0.591 286 R N 0.454 120.939 120.500 -0.025 0.000 2.692 286 R HA 0.555 4.893 4.340 -0.003 0.000 0.269 286 R C -1.621 174.664 176.300 -0.026 0.000 1.030 286 R CA -0.694 55.391 56.100 -0.024 0.000 0.882 286 R CB 1.269 31.558 30.300 -0.019 0.000 1.250 286 R HN -0.012 nan 8.270 nan 0.000 0.465 287 I N 1.822 122.376 120.570 -0.026 0.000 2.545 287 I HA 0.395 4.563 4.170 -0.003 0.000 0.292 287 I C -1.065 175.040 176.117 -0.020 0.000 1.040 287 I CA -1.285 60.000 61.300 -0.026 0.000 1.068 287 I CB 2.374 40.355 38.000 -0.033 0.000 1.251 287 I HN 0.473 nan 8.210 nan 0.000 0.424 288 V N 7.808 127.712 119.914 -0.017 0.000 2.406 288 V HA 0.357 4.475 4.120 -0.003 0.000 0.272 288 V C 0.086 176.173 176.094 -0.012 0.000 1.043 288 V CA -0.331 61.962 62.300 -0.012 0.000 0.915 288 V CB 1.104 32.921 31.823 -0.010 0.000 0.988 288 V HN 0.495 nan 8.190 nan 0.000 0.466 289 L N 4.215 125.433 121.223 -0.009 0.000 2.334 289 L HA 0.876 5.214 4.340 -0.003 0.000 0.273 289 L C 0.602 177.472 176.870 -0.000 0.000 1.013 289 L CA -0.340 54.495 54.840 -0.007 0.000 0.816 289 L CB 1.926 43.980 42.059 -0.009 0.000 1.278 289 L HN 0.738 nan 8.230 nan 0.000 0.431 290 G N 0.933 109.735 108.800 0.004 0.000 2.519 290 G HA2 0.589 4.547 3.960 -0.003 0.000 0.307 290 G HA3 0.589 4.547 3.960 -0.003 0.000 0.307 290 G C -1.544 173.365 174.900 0.016 0.000 1.266 290 G CA -0.633 44.472 45.100 0.009 0.000 0.970 290 G HN 0.509 nan 8.290 nan 0.000 0.481 291 R N 0.836 121.348 120.500 0.020 0.000 2.368 291 R HA 0.337 4.675 4.340 -0.003 0.000 0.302 291 R C -0.641 175.676 176.300 0.028 0.000 1.002 291 R CA -0.650 55.467 56.100 0.029 0.000 0.929 291 R CB 0.646 30.964 30.300 0.030 0.000 1.073 291 R HN 0.533 nan 8.270 nan 0.000 0.464 292 N N 1.959 120.681 118.700 0.036 0.000 2.443 292 N HA 0.210 4.948 4.740 -0.003 0.000 0.293 292 N C -1.064 174.467 175.510 0.035 0.000 1.159 292 N CA -0.608 52.461 53.050 0.033 0.000 0.904 292 N CB 1.815 40.325 38.487 0.037 0.000 1.214 292 N HN 0.603 nan 8.380 nan 0.000 0.513 293 E N 0.099 120.315 120.200 0.027 0.000 2.244 293 E HA 0.479 4.827 4.350 -0.003 0.000 0.266 293 E C -0.858 175.754 176.600 0.020 0.000 0.914 293 E CA -0.777 55.637 56.400 0.024 0.000 0.794 293 E CB 1.460 31.171 29.700 0.018 0.000 1.210 293 E HN 0.315 nan 8.360 nan 0.000 0.414 294 L N 1.825 123.059 121.223 0.018 0.000 2.290 294 L HA 0.437 4.775 4.340 -0.003 0.000 0.284 294 L C -0.669 176.206 176.870 0.008 0.000 1.078 294 L CA -0.833 54.014 54.840 0.012 0.000 0.815 294 L CB 1.150 43.215 42.059 0.009 0.000 1.162 294 L HN 0.375 nan 8.230 nan 0.000 0.435 295 V N 1.477 121.395 119.914 0.006 0.000 2.760 295 V HA 0.288 4.406 4.120 -0.003 0.000 0.309 295 V C -0.096 175.999 176.094 0.002 0.000 1.077 295 V CA -0.716 61.587 62.300 0.004 0.000 0.910 295 V CB 2.176 34.001 31.823 0.004 0.000 1.008 295 V HN 0.751 nan 8.190 nan 0.000 0.424 296 S N 2.458 118.158 115.700 0.000 0.000 2.531 296 S HA 0.166 4.634 4.470 -0.003 0.000 0.279 296 S C 0.521 175.120 174.600 -0.001 0.000 1.305 296 S CA -0.159 58.041 58.200 -0.001 0.000 1.058 296 S CB 0.581 63.780 63.200 -0.002 0.000 0.899 296 S HN 1.006 nan 8.310 nan 0.000 0.493 297 D N 0.490 120.889 120.400 -0.002 0.000 2.395 297 D HA 0.237 4.875 4.640 -0.003 0.000 0.213 297 D C 1.137 177.436 176.300 -0.003 0.000 1.110 297 D CA 0.276 54.275 54.000 -0.002 0.000 0.835 297 D CB -0.240 40.558 40.800 -0.002 0.000 0.965 297 D HN 0.751 nan 8.370 nan 0.000 0.505 298 G N 0.500 109.298 108.800 -0.003 0.000 2.175 298 G HA2 -0.342 3.617 3.960 -0.003 0.000 0.244 298 G HA3 -0.342 3.617 3.960 -0.003 0.000 0.244 298 G C 1.105 176.002 174.900 -0.004 0.000 0.982 298 G CA 0.622 45.720 45.100 -0.003 0.000 0.641 298 G HN 0.713 nan 8.290 nan 0.000 0.527 299 S N -0.169 115.528 115.700 -0.005 0.000 2.558 299 S HA 0.427 4.895 4.470 -0.003 0.000 0.217 299 S C 2.204 176.800 174.600 -0.006 0.000 0.975 299 S CA 1.425 59.621 58.200 -0.006 0.000 0.912 299 S CB 0.317 63.512 63.200 -0.007 0.000 0.776 299 S HN 2.372 nan 8.310 nan 0.000 0.526 300 G N 1.818 110.615 108.800 -0.005 0.000 2.176 300 G HA2 -0.306 3.653 3.960 -0.003 0.000 0.253 300 G HA3 -0.306 3.653 3.960 -0.003 0.000 0.253 300 G C 0.091 174.987 174.900 -0.007 0.000 0.979 300 G CA 0.148 45.245 45.100 -0.006 0.000 0.641 300 G HN 0.977 nan 8.290 nan 0.000 0.530 301 R N -0.297 120.199 120.500 -0.007 0.000 2.596 301 R HA 0.770 5.108 4.340 -0.003 0.000 0.267 301 R C 0.334 176.630 176.300 -0.005 0.000 1.026 301 R CA -0.286 55.810 56.100 -0.007 0.000 1.087 301 R CB 1.466 31.761 30.300 -0.008 0.000 1.132 301 R HN 0.653 nan 8.270 nan 0.000 0.531 302 V N -0.805 119.106 119.914 -0.005 0.000 2.539 302 V HA 0.797 4.915 4.120 -0.003 0.000 0.292 302 V C 0.116 176.210 176.094 -0.001 0.000 1.045 302 V CA -0.848 61.451 62.300 -0.003 0.000 0.945 302 V CB 0.967 32.789 31.823 -0.002 0.000 0.993 302 V HN 0.962 nan 8.190 nan 0.000 0.464 303 A N 3.200 126.021 122.820 0.002 0.000 2.320 303 A HA 0.919 5.237 4.320 -0.003 0.000 0.334 303 A C 0.330 177.919 177.584 0.009 0.000 1.147 303 A CA -0.323 51.716 52.037 0.003 0.000 0.820 303 A CB 1.209 20.210 19.000 0.002 0.000 1.218 303 A HN 1.928 nan 8.150 nan 0.000 0.482 304 A N 1.461 124.288 122.820 0.012 0.000 2.366 304 A HA 0.552 4.870 4.320 -0.003 0.000 0.272 304 A C 0.183 177.775 177.584 0.013 0.000 1.135 304 A CA -0.197 51.851 52.037 0.018 0.000 0.804 304 A CB 0.080 19.095 19.000 0.024 0.000 1.064 304 A HN 0.778 nan 8.150 nan 0.000 0.499 305 K N 2.463 122.871 120.400 0.014 0.000 2.376 305 K HA 0.282 4.600 4.320 -0.003 0.000 0.257 305 K C -1.084 175.524 176.600 0.013 0.000 0.939 305 K CA -0.654 55.640 56.287 0.011 0.000 0.809 305 K CB 1.109 33.614 32.500 0.009 0.000 1.121 305 K HN 0.752 nan 8.250 nan 0.000 0.425 306 D N 2.309 122.715 120.400 0.011 0.000 2.458 306 D HA -0.066 4.572 4.640 -0.003 0.000 0.243 306 D C 1.014 177.321 176.300 0.011 0.000 1.146 306 D CA 0.425 54.432 54.000 0.011 0.000 0.877 306 D CB 1.339 42.144 40.800 0.008 0.000 1.176 306 D HN 0.632 nan 8.370 nan 0.000 0.461 307 T N 0.843 115.405 114.554 0.013 0.000 3.067 307 T HA 0.256 4.604 4.350 -0.003 0.000 0.257 307 T C 1.555 176.260 174.700 0.010 0.000 1.105 307 T CA 0.686 62.794 62.100 0.012 0.000 1.104 307 T CB 0.024 68.901 68.868 0.015 0.000 0.925 307 T HN 0.687 nan 8.240 nan 0.000 0.498 308 G N 1.120 109.926 108.800 0.009 0.000 2.258 308 G HA2 -0.259 3.699 3.960 -0.003 0.000 0.233 308 G HA3 -0.259 3.699 3.960 -0.003 0.000 0.233 308 G C -0.069 174.835 174.900 0.008 0.000 1.006 308 G CA 0.148 45.253 45.100 0.007 0.000 0.620 308 G HN 0.850 nan 8.290 nan 0.000 0.511 309 E N 1.237 121.443 120.200 0.010 0.000 2.442 309 E HA 0.380 4.728 4.350 -0.003 0.000 0.262 309 E C 0.225 176.831 176.600 0.009 0.000 1.004 309 E CA 0.085 56.491 56.400 0.010 0.000 0.928 309 E CB 0.285 29.994 29.700 0.014 0.000 0.937 309 E HN 0.306 nan 8.360 nan 0.000 0.446 310 R N 2.947 123.451 120.500 0.007 0.000 2.725 310 R HA 0.322 4.660 4.340 -0.003 0.000 0.277 310 R C -0.896 175.406 176.300 0.004 0.000 0.987 310 R CA -0.705 55.398 56.100 0.005 0.000 0.901 310 R CB 1.836 32.138 30.300 0.002 0.000 1.207 310 R HN 0.803 nan 8.270 nan 0.000 0.463 311 E N 0.875 121.077 120.200 0.002 0.000 2.408 311 E HA 0.466 4.814 4.350 -0.003 0.000 0.275 311 E C -1.121 175.477 176.600 -0.004 0.000 0.935 311 E CA -0.891 55.510 56.400 0.001 0.000 0.775 311 E CB 2.477 32.178 29.700 0.002 0.000 1.277 311 E HN 0.359 nan 8.360 nan 0.000 0.455 312 E N 1.147 121.344 120.200 -0.005 0.000 2.199 312 E HA 0.470 4.818 4.350 -0.003 0.000 0.269 312 E C -1.298 175.296 176.600 -0.011 0.000 0.899 312 E CA -1.081 55.314 56.400 -0.009 0.000 0.772 312 E CB 2.392 32.087 29.700 -0.008 0.000 1.155 312 E HN 0.299 nan 8.360 nan 0.000 0.408 313 L N 4.189 125.403 121.223 -0.015 0.000 2.406 313 L HA 0.419 4.758 4.340 -0.003 0.000 0.272 313 L C -2.764 174.093 176.870 -0.021 0.000 0.980 313 L CA -2.070 52.759 54.840 -0.018 0.000 0.831 313 L CB 1.723 43.768 42.059 -0.023 0.000 1.253 313 L HN 0.245 nan 8.230 nan 0.000 0.406 314 P HA 0.417 nan 4.420 nan 0.000 0.265 314 P C -1.349 175.934 177.300 -0.029 0.000 1.193 314 P CA -0.024 63.063 63.100 -0.022 0.000 0.765 314 P CB 0.862 32.551 31.700 -0.018 0.000 0.823 315 A N 3.063 125.863 122.820 -0.032 0.000 2.589 315 A HA 0.469 4.787 4.320 -0.003 0.000 0.296 315 A C -0.260 177.298 177.584 -0.043 0.000 1.062 315 A CA -0.394 51.618 52.037 -0.042 0.000 0.686 315 A CB 1.437 20.408 19.000 -0.049 0.000 1.282 315 A HN 0.347 nan 8.150 nan 0.000 0.404 316 Q N -0.434 119.337 119.800 -0.048 0.000 2.245 316 Q HA 0.439 4.778 4.340 -0.003 0.000 0.236 316 Q C -0.485 175.477 176.000 -0.063 0.000 0.842 316 Q CA 0.264 56.038 55.803 -0.048 0.000 0.945 316 Q CB 1.367 30.082 28.738 -0.038 0.000 1.122 316 Q HN 0.611 nan 8.270 nan 0.000 0.506 317 L N 0.011 121.186 121.223 -0.081 0.000 2.464 317 L HA 0.641 4.979 4.340 -0.003 0.000 0.266 317 L C -1.734 175.063 176.870 -0.121 0.000 0.965 317 L CA -0.878 53.895 54.840 -0.112 0.000 0.833 317 L CB 2.281 44.253 42.059 -0.146 0.000 1.296 317 L HN -0.219 nan 8.230 nan 0.000 0.405 318 V N 5.477 125.318 119.914 -0.121 0.000 2.483 318 V HA 0.555 4.673 4.120 -0.003 0.000 0.297 318 V C -0.724 175.291 176.094 -0.131 0.000 1.027 318 V CA -0.653 61.579 62.300 -0.113 0.000 0.855 318 V CB 1.948 33.724 31.823 -0.079 0.000 0.995 318 V HN 0.499 nan 8.190 nan 0.000 0.424 319 V N 6.087 125.911 119.914 -0.150 0.000 2.357 319 V HA 0.443 4.562 4.120 -0.003 0.000 0.284 319 V C 0.368 176.416 176.094 -0.077 0.000 1.018 319 V CA -0.825 61.389 62.300 -0.143 0.000 0.841 319 V CB 1.564 33.246 31.823 -0.235 0.000 0.991 319 V HN 0.973 nan 8.190 nan 0.000 0.437 320 R N 2.457 122.925 120.500 -0.053 0.000 2.248 320 R HA 0.485 4.823 4.340 -0.003 0.000 0.328 320 R C 0.069 176.365 176.300 -0.007 0.000 1.067 320 R CA -0.096 55.986 56.100 -0.030 0.000 0.924 320 R CB 0.916 31.198 30.300 -0.029 0.000 1.013 320 R HN 0.493 nan 8.270 nan 0.000 0.454 321 S N 3.596 119.309 115.700 0.022 0.000 2.497 321 S HA 0.114 4.583 4.470 -0.003 0.000 0.193 321 S C 0.435 175.076 174.600 0.067 0.000 1.360 321 S CA -0.749 57.493 58.200 0.070 0.000 1.204 321 S CB 0.295 63.562 63.200 0.113 0.000 1.171 321 S HN 0.595 nan 8.310 nan 0.000 0.502 322 V N -0.053 119.885 119.914 0.041 0.000 3.177 322 V HA 0.765 4.883 4.120 -0.003 0.000 0.342 322 V C 0.595 176.713 176.094 0.041 0.000 1.379 322 V CA 0.112 62.430 62.300 0.030 0.000 1.191 322 V CB -0.634 31.194 31.823 0.009 0.000 1.167 322 V HN 0.720 nan 8.190 nan 0.000 0.471 323 G N -0.669 108.185 108.800 0.090 0.000 2.697 323 G HA2 -0.004 3.954 3.960 -0.003 0.000 0.684 323 G HA3 -0.004 3.954 3.960 -0.003 0.000 0.684 323 G C -0.960 174.048 174.900 0.179 0.000 1.274 323 G CA -0.772 44.406 45.100 0.130 0.000 0.806 323 G HN 0.243 nan 8.290 nan 0.000 0.644 324 Y N 0.560 120.881 120.300 0.035 0.000 2.260 324 Y HA 0.761 5.309 4.550 -0.003 0.000 0.339 324 Y C 1.282 177.222 175.900 0.066 0.000 1.317 324 Y CA 0.060 58.217 58.100 0.094 0.000 1.514 324 Y CB 0.927 39.520 38.460 0.221 0.000 1.382 324 Y HN 0.808 nan 8.280 nan 0.000 0.581 325 R N -0.106 120.547 120.500 0.254 0.000 2.535 325 R HA 0.503 4.841 4.340 -0.003 0.000 0.274 325 R C -0.611 175.840 176.300 0.251 0.000 1.090 325 R CA -0.562 55.653 56.100 0.192 0.000 0.930 325 R CB 1.166 31.543 30.300 0.128 0.000 1.223 325 R HN 0.889 nan 8.270 nan 0.000 0.441 326 G N 1.634 110.607 108.800 0.289 0.000 2.569 326 G HA2 0.404 4.362 3.960 -0.003 0.000 0.249 326 G HA3 0.404 4.362 3.960 -0.003 0.000 0.249 326 G C -0.857 174.263 174.900 0.368 0.000 1.216 326 G CA -0.336 44.986 45.100 0.369 0.000 0.845 326 G HN 0.319 nan 8.290 nan 0.000 0.568 327 V N 2.826 122.835 119.914 0.159 0.000 2.604 327 V HA 0.398 4.516 4.120 -0.003 0.000 0.305 327 V C -1.914 173.813 176.094 -0.612 0.000 1.043 327 V CA -1.360 60.855 62.300 -0.141 0.000 0.888 327 V CB 2.243 34.045 31.823 -0.035 0.000 0.995 327 V HN 0.703 nan 8.190 nan 0.000 0.429 328 P HA 0.150 nan 4.420 nan 0.000 0.268 328 P C -0.396 176.626 177.300 -0.464 0.000 1.205 328 P CA 0.088 62.471 63.100 -1.195 0.000 0.771 328 P CB 0.346 31.531 31.700 -0.859 0.000 0.858 329 T N 4.393 118.764 114.554 -0.305 0.000 2.767 329 T HA 0.370 4.718 4.350 -0.003 0.000 0.284 329 T C -2.306 172.311 174.700 -0.138 0.000 0.973 329 T CA -1.431 60.571 62.100 -0.164 0.000 0.996 329 T CB 0.399 69.183 68.868 -0.139 0.000 0.927 329 T HN 0.266 nan 8.240 nan 0.000 0.456 330 P HA 0.223 nan 4.420 nan 0.000 0.264 330 P C 1.089 178.355 177.300 -0.057 0.000 1.183 330 P CA 0.831 63.889 63.100 -0.070 0.000 0.763 330 P CB 0.293 31.962 31.700 -0.051 0.000 0.807 331 G N 1.619 110.392 108.800 -0.046 0.000 2.199 331 G HA2 -0.211 3.747 3.960 -0.003 0.000 0.254 331 G HA3 -0.211 3.747 3.960 -0.003 0.000 0.254 331 G C -0.171 174.694 174.900 -0.058 0.000 0.982 331 G CA -0.260 44.819 45.100 -0.034 0.000 0.632 331 G HN 0.468 nan 8.290 nan 0.000 0.529 332 L N 1.709 122.878 121.223 -0.090 0.000 2.333 332 L HA 0.577 4.915 4.340 -0.003 0.000 0.269 332 L C -1.589 175.268 176.870 -0.021 0.000 1.010 332 L CA -2.327 52.453 54.840 -0.100 0.000 0.818 332 L CB 1.814 43.740 42.059 -0.221 0.000 1.306 332 L HN -0.047 nan 8.230 nan 0.000 0.430 333 P HA 0.286 nan 4.420 nan 0.000 0.273 333 P C -1.305 176.101 177.300 0.177 0.000 1.250 333 P CA -0.083 63.054 63.100 0.062 0.000 0.793 333 P CB 0.991 32.706 31.700 0.025 0.000 1.011 334 F N -0.210 119.722 119.950 -0.029 0.000 2.650 334 F HA 0.253 4.778 4.527 -0.003 0.000 0.310 334 F C -1.563 174.232 175.800 -0.009 0.000 1.112 334 F CA -0.915 57.075 58.000 -0.017 0.000 0.986 334 F CB 1.850 40.841 39.000 -0.016 0.000 1.285 334 F HN 0.200 nan 8.300 nan 0.000 0.440 335 D N 3.526 123.554 120.400 -0.619 0.000 2.412 335 D HA 0.189 4.827 4.640 -0.003 0.000 0.224 335 D C 0.535 176.495 176.300 -0.566 0.000 1.093 335 D CA -0.066 53.678 54.000 -0.427 0.000 0.850 335 D CB 1.086 41.697 40.800 -0.315 0.000 1.046 335 D HN 0.582 nan 8.370 nan 0.000 0.507 336 D N 2.649 122.942 120.400 -0.178 0.000 2.123 336 D HA -0.246 4.392 4.640 -0.003 0.000 0.196 336 D C 1.553 177.828 176.300 -0.042 0.000 0.992 336 D CA 1.476 55.485 54.000 0.015 0.000 0.833 336 D CB 0.214 41.077 40.800 0.105 0.000 0.954 336 D HN 0.600 nan 8.370 nan 0.000 0.455 337 Q N -0.300 119.457 119.800 -0.071 0.000 2.050 337 Q HA -0.146 4.192 4.340 -0.003 0.000 0.202 337 Q C 1.964 177.921 176.000 -0.071 0.000 0.980 337 Q CA 2.110 57.883 55.803 -0.050 0.000 0.840 337 Q CB -0.129 28.581 28.738 -0.045 0.000 0.898 337 Q HN 0.386 nan 8.270 nan 0.000 0.424 338 S N -1.642 113.979 115.700 -0.132 0.000 2.501 338 S HA 0.160 4.628 4.470 -0.003 0.000 0.220 338 S C 1.281 175.795 174.600 -0.143 0.000 0.997 338 S CA 0.470 58.593 58.200 -0.128 0.000 0.919 338 S CB 0.279 63.396 63.200 -0.137 0.000 0.778 338 S HN 0.659 nan 8.310 nan 0.000 0.523 339 G N 1.815 110.463 108.800 -0.253 0.000 2.273 339 G HA2 -0.214 3.745 3.960 -0.003 0.000 0.280 339 G HA3 -0.214 3.745 3.960 -0.003 0.000 0.280 339 G C 0.103 174.863 174.900 -0.233 0.000 1.047 339 G CA 0.567 45.562 45.100 -0.175 0.000 0.869 339 G HN 1.268 nan 8.290 nan 0.000 0.502 340 T N -2.477 111.762 114.554 -0.525 0.000 2.916 340 T HA 0.759 5.107 4.350 -0.003 0.000 0.292 340 T C 0.094 174.602 174.700 -0.319 0.000 1.064 340 T CA -1.100 60.855 62.100 -0.240 0.000 1.011 340 T CB 2.315 71.112 68.868 -0.119 0.000 1.152 340 T HN 0.485 nan 8.240 nan 0.000 0.510 341 I N 3.269 123.825 120.570 -0.023 0.000 2.325 341 I HA 0.326 4.494 4.170 -0.003 0.000 0.291 341 I C -1.954 174.155 176.117 -0.014 0.000 1.019 341 I CA -2.531 58.787 61.300 0.031 0.000 1.302 341 I CB 1.563 39.628 38.000 0.109 0.000 1.401 341 I HN 0.488 nan 8.210 nan 0.000 0.485 342 P HA 0.083 nan 4.420 nan 0.000 0.268 342 P C -1.493 175.801 177.300 -0.010 0.000 1.205 342 P CA -0.114 62.967 63.100 -0.032 0.000 0.771 342 P CB 0.488 32.166 31.700 -0.036 0.000 0.858 343 N N 0.080 118.778 118.700 -0.002 0.000 2.591 343 N HA 0.445 5.183 4.740 -0.003 0.000 0.263 343 N C -1.882 173.635 175.510 0.012 0.000 1.308 343 N CA -1.000 52.054 53.050 0.007 0.000 0.837 343 N CB 1.319 39.828 38.487 0.036 0.000 1.548 343 N HN -0.019 nan 8.380 nan 0.000 0.493 344 V N 1.067 120.988 119.914 0.012 0.000 2.326 344 V HA 0.675 4.793 4.120 -0.003 0.000 0.281 344 V C 1.145 177.267 176.094 0.048 0.000 1.015 344 V CA -0.051 62.262 62.300 0.022 0.000 0.823 344 V CB 0.298 32.127 31.823 0.010 0.000 1.009 344 V HN 1.195 nan 8.190 nan 0.000 0.436 345 G N 3.629 112.463 108.800 0.058 0.000 2.203 345 G HA2 0.006 3.964 3.960 -0.003 0.000 0.263 345 G HA3 0.006 3.964 3.960 -0.003 0.000 0.263 345 G C 1.167 176.142 174.900 0.124 0.000 1.012 345 G CA 0.798 45.946 45.100 0.080 0.000 0.749 345 G HN 2.216 nan 8.290 nan 0.000 0.512 346 G N -1.311 107.564 108.800 0.126 0.000 2.213 346 G HA2 -0.248 3.710 3.960 -0.003 0.000 0.236 346 G HA3 -0.248 3.710 3.960 -0.003 0.000 0.236 346 G C 0.442 175.484 174.900 0.237 0.000 0.991 346 G CA 1.047 46.260 45.100 0.188 0.000 0.629 346 G HN 1.271 nan 8.290 nan 0.000 0.517 347 R N 0.950 121.526 120.500 0.126 0.000 2.265 347 R HA 0.565 4.903 4.340 -0.003 0.000 0.314 347 R C 0.862 177.076 176.300 -0.143 0.000 1.053 347 R CA -0.729 55.258 56.100 -0.189 0.000 0.931 347 R CB 0.117 30.284 30.300 -0.223 0.000 1.024 347 R HN 0.285 nan 8.270 nan 0.000 0.457 348 I N 4.175 124.631 120.570 -0.189 0.000 2.752 348 I HA -0.161 4.007 4.170 -0.003 0.000 0.289 348 I C 1.085 177.152 176.117 -0.084 0.000 1.197 348 I CA 0.420 61.665 61.300 -0.091 0.000 1.432 348 I CB 0.170 38.125 38.000 -0.076 0.000 1.359 348 I HN 0.681 nan 8.210 nan 0.000 0.571 349 N N 5.109 123.781 118.700 -0.047 0.000 2.294 349 N HA -0.112 4.626 4.740 -0.003 0.000 0.263 349 N C 1.025 176.511 175.510 -0.039 0.000 1.281 349 N CA 1.204 54.232 53.050 -0.037 0.000 0.846 349 N CB 0.526 38.999 38.487 -0.023 0.000 1.061 349 N HN 0.978 nan 8.380 nan 0.000 0.478 350 G N 1.847 110.625 108.800 -0.036 0.000 2.184 350 G HA2 -0.266 3.692 3.960 -0.003 0.000 0.264 350 G HA3 -0.266 3.692 3.960 -0.003 0.000 0.264 350 G C 0.043 174.922 174.900 -0.036 0.000 0.975 350 G CA 0.599 45.681 45.100 -0.029 0.000 0.642 350 G HN 0.771 nan 8.290 nan 0.000 0.536 351 S N 0.518 116.181 115.700 -0.061 0.000 2.472 351 S HA 0.708 5.176 4.470 -0.003 0.000 0.303 351 S C -0.602 173.941 174.600 -0.095 0.000 1.099 351 S CA -0.797 57.360 58.200 -0.070 0.000 1.077 351 S CB 2.013 65.160 63.200 -0.088 0.000 1.031 351 S HN 0.060 nan 8.310 nan 0.000 0.487 352 P HA 0.109 nan 4.420 nan 0.000 0.235 352 P C 0.188 177.470 177.300 -0.029 0.000 1.177 352 P CA 0.641 63.721 63.100 -0.033 0.000 0.785 352 P CB -0.020 31.684 31.700 0.007 0.000 0.885 353 N N -1.103 117.577 118.700 -0.033 0.000 2.217 353 N HA 0.074 4.812 4.740 -0.003 0.000 0.239 353 N C -0.495 175.071 175.510 0.093 0.000 1.330 353 N CA -0.136 52.972 53.050 0.097 0.000 0.838 353 N CB 0.183 38.769 38.487 0.165 0.000 1.287 353 N HN 0.025 nan 8.380 nan 0.000 0.498 354 E N 0.209 120.316 120.200 -0.156 0.000 2.212 354 E HA 0.472 4.821 4.350 -0.003 0.000 0.268 354 E C -1.395 175.021 176.600 -0.306 0.000 0.902 354 E CA -0.582 55.821 56.400 0.004 0.000 0.779 354 E CB 1.651 31.427 29.700 0.127 0.000 1.172 354 E HN 0.133 nan 8.360 nan 0.000 0.409 355 Y N -0.242 120.171 120.300 0.189 0.000 2.609 355 Y HA 0.547 5.095 4.550 -0.003 0.000 0.342 355 Y C -0.453 175.568 175.900 0.201 0.000 1.058 355 Y CA -1.119 57.068 58.100 0.146 0.000 1.055 355 Y CB 1.721 40.235 38.460 0.089 0.000 1.292 355 Y HN 0.302 nan 8.280 nan 0.000 0.476 356 V N -0.144 119.959 119.914 0.315 0.000 2.876 356 V HA 0.988 5.106 4.120 -0.003 0.000 0.312 356 V C -0.910 175.313 176.094 0.215 0.000 1.085 356 V CA -1.054 61.401 62.300 0.258 0.000 0.945 356 V CB 1.187 33.132 31.823 0.203 0.000 1.017 356 V HN 0.783 nan 8.190 nan 0.000 0.428 357 V N -0.128 119.902 119.914 0.193 0.000 3.114 357 V HA 1.104 5.222 4.120 -0.003 0.000 0.308 357 V C 0.520 176.726 176.094 0.187 0.000 1.168 357 V CA 0.093 62.495 62.300 0.170 0.000 1.015 357 V CB 0.902 32.808 31.823 0.139 0.000 1.050 357 V HN 2.645 nan 8.190 nan 0.000 0.433 358 G N 1.040 109.963 108.800 0.206 0.000 2.553 358 G HA2 -0.255 3.703 3.960 -0.003 0.000 0.242 358 G HA3 -0.255 3.703 3.960 -0.003 0.000 0.242 358 G C -0.203 174.926 174.900 0.382 0.000 1.277 358 G CA 0.693 45.947 45.100 0.256 0.000 0.910 358 G HN 1.322 nan 8.290 nan 0.000 0.576 359 W N -0.531 120.831 121.300 0.104 0.000 2.465 359 W HA 0.217 4.875 4.660 -0.003 0.000 0.268 359 W C 2.511 179.097 176.519 0.111 0.000 1.242 359 W CA 0.981 58.385 57.345 0.098 0.000 1.248 359 W CB -0.713 28.802 29.460 0.092 0.000 1.118 359 W HN 0.441 nan 8.180 nan 0.000 0.587 360 I N 0.695 121.474 120.570 0.348 0.000 2.676 360 I HA -0.180 3.988 4.170 -0.003 0.000 0.259 360 I C 2.351 178.583 176.117 0.191 0.000 1.194 360 I CA 1.561 63.022 61.300 0.267 0.000 1.473 360 I CB -0.501 37.660 38.000 0.269 0.000 1.096 360 I HN -0.122 nan 8.210 nan 0.000 0.443 361 K N 0.167 120.679 120.400 0.187 0.000 2.078 361 K HA 0.002 4.320 4.320 -0.003 0.000 0.203 361 K C 2.067 178.722 176.600 0.093 0.000 1.043 361 K CA 0.648 57.015 56.287 0.133 0.000 0.960 361 K CB -0.012 32.578 32.500 0.150 0.000 0.761 361 K HN 0.186 nan 8.250 nan 0.000 0.448 362 R N 0.084 120.652 120.500 0.114 0.000 2.254 362 R HA 0.157 4.495 4.340 -0.003 0.000 0.195 362 R C 0.316 176.603 176.300 -0.021 0.000 0.957 362 R CA 0.460 56.595 56.100 0.058 0.000 1.024 362 R CB 0.647 31.004 30.300 0.096 0.000 0.952 362 R HN 0.420 nan 8.270 nan 0.000 0.484 363 G N 1.942 110.723 108.800 -0.032 0.000 2.699 363 G HA2 -0.152 3.806 3.960 -0.003 0.000 0.686 363 G HA3 -0.152 3.806 3.960 -0.003 0.000 0.686 363 G C -2.703 171.911 174.900 -0.477 0.000 1.301 363 G CA -1.023 43.985 45.100 -0.153 0.000 0.816 363 G HN -0.037 nan 8.290 nan 0.000 0.595 364 P HA 0.257 nan 4.420 nan 0.000 0.235 364 P C 0.233 176.646 177.300 -1.478 0.000 1.765 364 P CA 0.761 62.826 63.100 -1.726 0.000 1.034 364 P CB -0.537 30.609 31.700 -0.924 0.000 1.984 365 T N -2.009 111.884 114.554 -1.103 0.000 2.893 365 T HA 0.734 5.082 4.350 -0.003 0.000 0.293 365 T C -0.033 174.704 174.700 0.061 0.000 1.027 365 T CA -0.462 61.422 62.100 -0.360 0.000 0.988 365 T CB 2.036 70.790 68.868 -0.191 0.000 1.043 365 T HN 0.391 nan 8.240 nan 0.000 0.461 366 G N 0.862 109.769 108.800 0.179 0.000 2.663 366 G HA2 0.275 4.233 3.960 -0.003 0.000 0.686 366 G HA3 0.275 4.233 3.960 -0.003 0.000 0.686 366 G C -0.358 174.748 174.900 0.343 0.000 1.246 366 G CA -0.426 44.828 45.100 0.256 0.000 0.795 366 G HN 1.979 nan 8.290 nan 0.000 0.627 367 V N 0.524 120.573 119.914 0.225 0.000 3.385 367 V HA 0.575 4.693 4.120 -0.003 0.000 0.301 367 V C 2.123 178.323 176.094 0.177 0.000 1.082 367 V CA 0.365 62.775 62.300 0.184 0.000 1.085 367 V CB 0.506 32.407 31.823 0.130 0.000 1.152 367 V HN 0.945 nan 8.190 nan 0.000 0.465 368 I N 1.479 122.130 120.570 0.136 0.000 2.151 368 I HA -0.188 3.980 4.170 -0.003 0.000 0.243 368 I C 2.595 178.879 176.117 0.280 0.000 1.080 368 I CA 2.379 63.781 61.300 0.169 0.000 1.339 368 I CB -0.827 37.261 38.000 0.145 0.000 1.039 368 I HN 0.956 nan 8.210 nan 0.000 0.409 369 G N 0.203 109.117 108.800 0.190 0.000 2.479 369 G HA2 -0.277 3.681 3.960 -0.003 0.000 0.220 369 G HA3 -0.277 3.681 3.960 -0.003 0.000 0.220 369 G C 1.685 176.613 174.900 0.046 0.000 1.115 369 G CA 1.343 46.503 45.100 0.100 0.000 0.757 369 G HN 0.503 nan 8.290 nan 0.000 0.560 370 T N -0.931 113.693 114.554 0.116 0.000 2.962 370 T HA -0.094 4.254 4.350 -0.003 0.000 0.270 370 T C 1.963 176.738 174.700 0.126 0.000 1.088 370 T CA 1.215 63.382 62.100 0.111 0.000 1.127 370 T CB -0.289 68.675 68.868 0.161 0.000 0.883 370 T HN 0.249 nan 8.240 nan 0.000 0.493 371 N N 1.142 119.962 118.700 0.201 0.000 2.512 371 N HA 0.010 4.748 4.740 -0.003 0.000 0.183 371 N C 1.694 177.315 175.510 0.185 0.000 1.073 371 N CA 0.631 53.842 53.050 0.268 0.000 0.911 371 N CB -0.064 38.661 38.487 0.395 0.000 0.964 371 N HN 0.587 nan 8.380 nan 0.000 0.447 372 K N 1.833 122.117 120.400 -0.193 0.000 1.991 372 K HA -0.086 4.232 4.320 -0.003 0.000 0.207 372 K C 2.040 178.528 176.600 -0.186 0.000 1.045 372 K CA 1.084 57.029 56.287 -0.570 0.000 0.937 372 K CB 0.070 31.979 32.500 -0.986 0.000 0.720 372 K HN -0.084 nan 8.250 nan 0.000 0.438 373 K N 0.597 120.927 120.400 -0.116 0.000 2.097 373 K HA -0.210 4.108 4.320 -0.003 0.000 0.206 373 K C 1.888 178.493 176.600 0.009 0.000 1.049 373 K CA 1.946 58.207 56.287 -0.043 0.000 0.933 373 K CB -0.245 32.239 32.500 -0.026 0.000 0.717 373 K HN 0.198 nan 8.250 nan 0.000 0.442 374 D N 0.602 121.027 120.400 0.041 0.000 2.106 374 D HA -0.206 4.432 4.640 -0.003 0.000 0.191 374 D C 1.644 177.995 176.300 0.086 0.000 0.997 374 D CA 2.014 56.062 54.000 0.081 0.000 0.834 374 D CB -0.241 40.632 40.800 0.123 0.000 0.956 374 D HN 0.302 nan 8.370 nan 0.000 0.448 375 A N -0.207 122.673 122.820 0.101 0.000 1.898 375 A HA -0.169 4.149 4.320 -0.003 0.000 0.216 375 A C 2.247 179.868 177.584 0.062 0.000 1.181 375 A CA 2.003 54.105 52.037 0.109 0.000 0.620 375 A CB -0.851 18.259 19.000 0.183 0.000 0.819 375 A HN 0.350 nan 8.150 nan 0.000 0.442 376 Q N 0.426 120.250 119.800 0.039 0.000 2.061 376 Q HA -0.198 4.140 4.340 -0.003 0.000 0.204 376 Q C 1.389 177.397 176.000 0.014 0.000 0.984 376 Q CA 2.254 58.068 55.803 0.018 0.000 0.846 376 Q CB -0.379 28.358 28.738 -0.002 0.000 0.902 376 Q HN 0.606 nan 8.270 nan 0.000 0.421 377 D N -1.018 119.396 120.400 0.023 0.000 2.123 377 D HA -0.130 4.508 4.640 -0.003 0.000 0.196 377 D C 1.727 178.045 176.300 0.030 0.000 0.992 377 D CA 1.810 55.827 54.000 0.027 0.000 0.833 377 D CB -0.403 40.419 40.800 0.037 0.000 0.954 377 D HN 0.312 nan 8.370 nan 0.000 0.455 378 T N 0.447 115.025 114.554 0.040 0.000 2.737 378 T HA -0.077 4.271 4.350 -0.003 0.000 0.265 378 T C 2.260 176.912 174.700 -0.080 0.000 1.038 378 T CA 0.678 62.801 62.100 0.039 0.000 1.144 378 T CB -0.292 68.627 68.868 0.084 0.000 0.866 378 T HN -0.040 nan 8.240 nan 0.000 0.434 379 V N 2.079 121.948 119.914 -0.075 0.000 2.343 379 V HA -0.189 3.929 4.120 -0.003 0.000 0.247 379 V C 2.365 178.392 176.094 -0.111 0.000 1.051 379 V CA 1.776 64.002 62.300 -0.123 0.000 1.036 379 V CB -0.635 31.155 31.823 -0.055 0.000 0.654 379 V HN 0.413 nan 8.190 nan 0.000 0.451 380 D N -0.004 120.365 120.400 -0.052 0.000 2.116 380 D HA -0.169 4.469 4.640 -0.003 0.000 0.193 380 D C 2.284 178.561 176.300 -0.039 0.000 0.998 380 D CA 2.066 56.046 54.000 -0.033 0.000 0.836 380 D CB -0.518 40.278 40.800 -0.006 0.000 0.951 380 D HN 0.409 nan 8.370 nan 0.000 0.449 381 T N 1.155 115.691 114.554 -0.029 0.000 2.708 381 T HA -0.109 4.239 4.350 -0.003 0.000 0.266 381 T C 2.094 176.770 174.700 -0.039 0.000 1.037 381 T CA 0.536 62.644 62.100 0.014 0.000 1.146 381 T CB -0.412 68.517 68.868 0.101 0.000 0.865 381 T HN 0.136 nan 8.240 nan 0.000 0.435 382 L N 0.531 121.585 121.223 -0.282 0.000 1.989 382 L HA -0.098 4.240 4.340 -0.003 0.000 0.211 382 L C 2.286 179.012 176.870 -0.239 0.000 1.071 382 L CA 1.656 56.173 54.840 -0.539 0.000 0.749 382 L CB -0.323 41.196 42.059 -0.900 0.000 0.890 382 L HN 0.263 nan 8.230 nan 0.000 0.431 383 I N -0.217 120.239 120.570 -0.189 0.000 2.252 383 I HA -0.288 3.880 4.170 -0.003 0.000 0.245 383 I C 2.568 178.637 176.117 -0.080 0.000 1.102 383 I CA 1.178 62.394 61.300 -0.141 0.000 1.385 383 I CB -0.364 37.587 38.000 -0.083 0.000 1.064 383 I HN 0.288 nan 8.210 nan 0.000 0.414 384 K N 1.946 122.321 120.400 -0.041 0.000 2.020 384 K HA -0.238 4.080 4.320 -0.003 0.000 0.212 384 K C 1.525 178.127 176.600 0.004 0.000 1.050 384 K CA 2.188 58.472 56.287 -0.004 0.000 0.929 384 K CB -0.702 31.806 32.500 0.013 0.000 0.714 384 K HN 0.369 nan 8.250 nan 0.000 0.443 385 N N -0.184 118.526 118.700 0.017 0.000 2.166 385 N HA -0.091 4.648 4.740 -0.003 0.000 0.186 385 N C 1.723 177.237 175.510 0.007 0.000 1.019 385 N CA 1.253 54.331 53.050 0.046 0.000 0.856 385 N CB -0.130 38.436 38.487 0.132 0.000 0.993 385 N HN 0.109 nan 8.380 nan 0.000 0.426 386 L N 0.219 121.397 121.223 -0.075 0.000 2.056 386 L HA -0.075 4.263 4.340 -0.003 0.000 0.207 386 L C 2.599 179.451 176.870 -0.030 0.000 1.078 386 L CA 1.111 55.851 54.840 -0.167 0.000 0.749 386 L CB -0.768 40.941 42.059 -0.583 0.000 0.901 386 L HN 0.283 nan 8.230 nan 0.000 0.433 387 G N -0.191 108.607 108.800 -0.004 0.000 2.418 387 G HA2 -0.257 3.701 3.960 -0.003 0.000 0.217 387 G HA3 -0.257 3.701 3.960 -0.003 0.000 0.217 387 G C 1.305 176.239 174.900 0.057 0.000 1.158 387 G CA 0.917 46.055 45.100 0.063 0.000 0.771 387 G HN 0.451 nan 8.290 nan 0.000 0.545 388 N N 0.801 119.524 118.700 0.039 0.000 2.166 388 N HA -0.058 4.680 4.740 -0.003 0.000 0.186 388 N C 2.490 178.025 175.510 0.041 0.000 1.019 388 N CA 0.734 53.806 53.050 0.037 0.000 0.856 388 N CB -0.120 38.387 38.487 0.033 0.000 0.993 388 N HN 0.368 nan 8.380 nan 0.000 0.426 389 A N 1.408 124.256 122.820 0.047 0.000 1.968 389 A HA -0.126 4.192 4.320 -0.003 0.000 0.217 389 A C 2.093 179.716 177.584 0.065 0.000 1.169 389 A CA 1.034 53.102 52.037 0.052 0.000 0.638 389 A CB -0.250 18.784 19.000 0.055 0.000 0.812 389 A HN 0.151 nan 8.150 nan 0.000 0.446 390 K N -0.292 120.164 120.400 0.093 0.000 2.007 390 K HA -0.183 4.135 4.320 -0.003 0.000 0.206 390 K C 2.006 178.641 176.600 0.059 0.000 1.047 390 K CA 1.641 57.987 56.287 0.098 0.000 0.937 390 K CB -0.137 32.455 32.500 0.152 0.000 0.718 390 K HN 0.365 nan 8.250 nan 0.000 0.438 391 E N -0.166 120.065 120.200 0.053 0.000 2.267 391 E HA -0.110 4.238 4.350 -0.003 0.000 0.197 391 E C 1.326 177.943 176.600 0.027 0.000 0.998 391 E CA 1.481 57.903 56.400 0.036 0.000 0.830 391 E CB -0.226 29.494 29.700 0.033 0.000 0.751 391 E HN 0.447 nan 8.360 nan 0.000 0.491 392 G N -0.884 107.933 108.800 0.029 0.000 3.088 392 G HA2 0.296 4.254 3.960 -0.003 0.000 0.217 392 G HA3 0.296 4.254 3.960 -0.003 0.000 0.217 392 G C 0.407 175.317 174.900 0.017 0.000 1.159 392 G CA 0.071 45.184 45.100 0.021 0.000 0.760 392 G HN 0.572 nan 8.290 nan 0.000 0.550 393 A N 0.228 123.060 122.820 0.021 0.000 2.519 393 A HA -0.156 4.162 4.320 -0.003 0.000 0.297 393 A C 0.726 178.314 177.584 0.007 0.000 1.472 393 A CA 1.401 53.446 52.037 0.013 0.000 0.739 393 A CB -1.830 17.173 19.000 0.004 0.000 1.096 393 A HN 0.531 nan 8.150 nan 0.000 0.414 394 E N -1.233 118.977 120.200 0.016 0.000 2.676 394 E HA 0.153 4.501 4.350 -0.003 0.000 0.222 394 E C 0.126 176.730 176.600 0.007 0.000 0.968 394 E CA -0.175 56.229 56.400 0.007 0.000 1.090 394 E CB 0.542 30.250 29.700 0.013 0.000 1.066 394 E HN 0.716 nan 8.360 nan 0.000 0.496 395 C N 2.787 122.102 119.300 0.026 0.000 2.657 395 C HA 0.082 4.540 4.460 -0.003 0.000 0.420 395 C C 1.000 175.951 174.990 -0.066 0.000 1.323 395 C CA -0.274 58.768 59.018 0.039 0.000 1.894 395 C CB -0.190 27.616 27.740 0.109 0.000 2.681 395 C HN 0.281 nan 8.230 nan 0.000 0.613 396 K N 1.590 121.907 120.400 -0.138 0.000 2.469 396 K HA 0.080 4.398 4.320 -0.003 0.000 0.274 396 K C 0.345 176.636 176.600 -0.514 0.000 0.983 396 K CA 0.339 56.386 56.287 -0.401 0.000 0.974 396 K CB 0.406 32.494 32.500 -0.686 0.000 0.913 396 K HN 0.721 nan 8.250 nan 0.000 0.493 397 S N 2.442 117.821 115.700 -0.534 0.000 2.438 397 S HA 0.453 4.921 4.470 -0.003 0.000 0.293 397 S C -0.947 173.318 174.600 -0.559 0.000 1.141 397 S CA -0.696 57.265 58.200 -0.399 0.000 1.080 397 S CB 0.029 63.099 63.200 -0.217 0.000 0.978 397 S HN 0.342 nan 8.310 nan 0.000 0.479 402 H N 1.097 120.081 119.070 -0.144 0.000 2.352 402 H HA -0.060 4.494 4.556 -0.003 0.000 0.299 402 H C 1.851 176.926 175.328 -0.421 0.000 1.097 402 H CA 2.221 58.049 56.048 -0.366 0.000 1.311 402 H CB 0.443 29.816 29.762 -0.648 0.000 1.377 402 H HN 0.302 nan 8.280 nan 0.000 0.504 403 A N 1.097 123.725 122.820 -0.319 0.000 1.892 403 A HA -0.215 4.104 4.320 -0.003 0.000 0.218 403 A C 2.143 179.628 177.584 -0.166 0.000 1.188 403 A CA 2.014 53.921 52.037 -0.216 0.000 0.631 403 A CB -0.451 18.581 19.000 0.054 0.000 0.822 403 A HN 0.503 nan 8.150 nan 0.000 0.447 404 D N -0.949 119.392 120.400 -0.099 0.000 2.117 404 D HA -0.084 4.555 4.640 -0.003 0.000 0.198 404 D C 2.384 178.622 176.300 -0.104 0.000 0.982 404 D CA 1.471 55.435 54.000 -0.060 0.000 0.828 404 D CB -0.544 40.242 40.800 -0.023 0.000 0.967 404 D HN 0.436 nan 8.370 nan 0.000 0.464 405 Q N 0.194 119.896 119.800 -0.164 0.000 2.061 405 Q HA -0.107 4.231 4.340 -0.003 0.000 0.204 405 Q C 2.731 178.610 176.000 -0.201 0.000 0.984 405 Q CA 0.916 56.620 55.803 -0.165 0.000 0.846 405 Q CB -0.866 27.770 28.738 -0.170 0.000 0.902 405 Q HN 0.345 nan 8.270 nan 0.000 0.421 406 V N 0.699 120.372 119.914 -0.402 0.000 2.343 406 V HA -0.229 3.889 4.120 -0.003 0.000 0.247 406 V C 2.510 178.518 176.094 -0.145 0.000 1.051 406 V CA 1.752 63.852 62.300 -0.334 0.000 1.036 406 V CB -1.338 30.091 31.823 -0.656 0.000 0.654 406 V HN 0.582 nan 8.190 nan 0.000 0.451 407 A N -0.030 122.685 122.820 -0.175 0.000 1.902 407 A HA -0.255 4.063 4.320 -0.003 0.000 0.217 407 A C 1.992 179.521 177.584 -0.092 0.000 1.181 407 A CA 2.077 54.023 52.037 -0.151 0.000 0.623 407 A CB -0.623 18.419 19.000 0.070 0.000 0.818 407 A HN 0.534 nan 8.150 nan 0.000 0.443 408 D N -1.616 118.764 120.400 -0.034 0.000 2.144 408 D HA -0.156 4.482 4.640 -0.003 0.000 0.200 408 D C 1.547 177.858 176.300 0.018 0.000 0.978 408 D CA 1.207 55.204 54.000 -0.006 0.000 0.833 408 D CB -0.434 40.371 40.800 0.007 0.000 0.961 408 D HN 0.752 nan 8.370 nan 0.000 0.470 409 W N 1.669 122.875 121.300 -0.157 0.000 2.355 409 W HA -0.103 4.555 4.660 -0.003 0.000 0.309 409 W C 1.960 178.386 176.519 -0.154 0.000 1.206 409 W CA 1.081 58.342 57.345 -0.141 0.000 1.284 409 W CB -0.523 28.845 29.460 -0.153 0.000 1.145 409 W HN -0.098 nan 8.180 nan 0.000 0.502 410 L N 0.697 121.731 121.223 -0.316 0.000 2.042 410 L HA -0.238 4.100 4.340 -0.003 0.000 0.210 410 L C 2.718 179.345 176.870 -0.405 0.000 1.076 410 L CA 1.626 56.132 54.840 -0.557 0.000 0.749 410 L CB -1.420 40.269 42.059 -0.616 0.000 0.893 410 L HN 0.134 nan 8.230 nan 0.000 0.432 411 A N -0.196 122.477 122.820 -0.244 0.000 1.930 411 A HA -0.126 4.192 4.320 -0.003 0.000 0.217 411 A C 2.524 180.014 177.584 -0.156 0.000 1.175 411 A CA 1.580 53.527 52.037 -0.151 0.000 0.627 411 A CB -0.595 18.367 19.000 -0.063 0.000 0.815 411 A HN 0.412 nan 8.150 nan 0.000 0.443 412 A N -0.378 122.341 122.820 -0.169 0.000 1.902 412 A HA -0.138 4.180 4.320 -0.003 0.000 0.217 412 A C 2.208 179.675 177.584 -0.196 0.000 1.181 412 A CA 1.427 53.379 52.037 -0.142 0.000 0.623 412 A CB -0.385 18.564 19.000 -0.086 0.000 0.818 412 A HN 0.374 nan 8.150 nan 0.000 0.443 413 R N -1.148 119.145 120.500 -0.346 0.000 2.115 413 R HA 0.002 4.340 4.340 -0.003 0.000 0.226 413 R C 0.548 176.712 176.300 -0.227 0.000 1.100 413 R CA 1.178 57.083 56.100 -0.326 0.000 0.980 413 R CB -0.381 29.574 30.300 -0.576 0.000 0.875 413 R HN 0.596 nan 8.270 nan 0.000 0.445 414 Q N -0.248 119.377 119.800 -0.292 0.000 3.090 414 Q HA 0.282 4.620 4.340 -0.003 0.000 0.241 414 Q C -2.399 173.474 176.000 -0.213 0.000 0.958 414 Q CA -1.848 53.760 55.803 -0.325 0.000 0.715 414 Q CB 1.725 30.122 28.738 -0.567 0.000 1.298 414 Q HN -0.137 nan 8.270 nan 0.000 0.468 415 P HA -0.123 nan 4.420 nan 0.000 0.221 415 P C -0.126 177.134 177.300 -0.067 0.000 1.145 415 P CA 1.183 64.233 63.100 -0.084 0.000 0.795 415 P CB 0.318 31.983 31.700 -0.059 0.000 0.775 416 K N -0.363 119.980 120.400 -0.094 0.000 2.493 416 K HA 0.138 4.456 4.320 -0.003 0.000 0.207 416 K C 0.366 176.925 176.600 -0.069 0.000 1.033 416 K CA -0.382 55.864 56.287 -0.068 0.000 1.161 416 K CB -0.330 32.132 32.500 -0.065 0.000 0.873 416 K HN 0.134 nan 8.250 nan 0.000 0.491 417 L N -1.576 119.602 121.223 -0.076 0.000 2.479 417 L HA 0.168 4.506 4.340 -0.003 0.000 0.270 417 L C -0.024 176.879 176.870 0.055 0.000 1.236 417 L CA -0.186 54.626 54.840 -0.046 0.000 0.823 417 L CB 0.241 42.278 42.059 -0.037 0.000 1.098 417 L HN -0.275 nan 8.230 nan 0.000 0.500 418 V N 1.534 121.483 119.914 0.059 0.000 2.349 418 V HA 0.408 4.526 4.120 -0.003 0.000 0.284 418 V C 0.527 176.708 176.094 0.144 0.000 1.014 418 V CA -0.048 62.351 62.300 0.165 0.000 0.826 418 V CB 0.844 32.783 31.823 0.193 0.000 1.009 418 V HN 1.161 nan 8.190 nan 0.000 0.431 419 T N 1.599 116.223 114.554 0.116 0.000 2.766 419 T HA 0.157 4.505 4.350 -0.003 0.000 0.295 419 T C 1.483 176.285 174.700 0.170 0.000 1.024 419 T CA 0.164 62.239 62.100 -0.043 0.000 1.018 419 T CB 1.001 69.751 68.868 -0.198 0.000 1.002 419 T HN 0.440 nan 8.240 nan 0.000 0.532 420 S N 1.011 116.797 115.700 0.142 0.000 2.372 420 S HA -0.172 4.296 4.470 -0.003 0.000 0.227 420 S C 2.507 177.209 174.600 0.170 0.000 1.044 420 S CA 1.357 59.716 58.200 0.265 0.000 1.050 420 S CB -1.154 62.168 63.200 0.204 0.000 0.901 420 S HN 0.904 nan 8.310 nan 0.000 0.447 421 A N 1.631 124.462 122.820 0.018 0.000 1.908 421 A HA -0.199 4.119 4.320 -0.003 0.000 0.218 421 A C 1.894 179.509 177.584 0.053 0.000 1.181 421 A CA 1.782 53.798 52.037 -0.035 0.000 0.627 421 A CB -0.850 18.058 19.000 -0.154 0.000 0.818 421 A HN 0.529 nan 8.150 nan 0.000 0.445 422 H N -1.924 117.188 119.070 0.070 0.000 2.428 422 H HA -0.100 4.454 4.556 -0.003 0.000 0.296 422 H C 1.876 177.262 175.328 0.096 0.000 1.062 422 H CA 0.642 56.726 56.048 0.061 0.000 1.350 422 H CB -0.599 29.204 29.762 0.069 0.000 1.403 422 H HN 0.853 nan 8.280 nan 0.000 0.533 423 W N 2.192 123.571 121.300 0.131 0.000 2.335 423 W HA -0.236 4.423 4.660 -0.001 0.000 0.311 423 W C 1.384 177.877 176.519 -0.042 0.000 1.213 423 W CA 1.284 58.631 57.345 0.004 0.000 1.274 423 W CB -0.086 29.301 29.460 -0.122 0.000 1.148 423 W HN 0.230 nan 8.180 nan 0.000 0.498 424 Q N 0.490 120.009 119.800 -0.470 0.000 2.181 424 Q HA -0.209 4.129 4.340 -0.003 0.000 0.205 424 Q C 2.241 178.007 176.000 -0.390 0.000 0.980 424 Q CA 2.363 57.817 55.803 -0.581 0.000 0.862 424 Q CB -0.390 28.195 28.738 -0.256 0.000 0.905 424 Q HN 0.203 nan 8.270 nan 0.000 0.429 425 V N 0.685 120.487 119.914 -0.186 0.000 2.270 425 V HA -0.273 3.845 4.120 -0.003 0.000 0.245 425 V C 2.090 178.112 176.094 -0.120 0.000 1.043 425 V CA 1.682 63.922 62.300 -0.100 0.000 1.014 425 V CB -0.496 31.315 31.823 -0.021 0.000 0.645 425 V HN 0.359 nan 8.190 nan 0.000 0.447 426 I N 0.509 120.994 120.570 -0.143 0.000 2.151 426 I HA -0.306 3.862 4.170 -0.003 0.000 0.243 426 I C 2.434 178.439 176.117 -0.187 0.000 1.080 426 I CA 2.230 63.473 61.300 -0.095 0.000 1.339 426 I CB -0.505 37.520 38.000 0.042 0.000 1.039 426 I HN 0.395 nan 8.210 nan 0.000 0.409 427 D N 0.863 120.882 120.400 -0.635 0.000 2.104 427 D HA -0.193 4.445 4.640 -0.003 0.000 0.194 427 D C 2.148 178.271 176.300 -0.295 0.000 0.994 427 D CA 1.806 55.379 54.000 -0.711 0.000 0.830 427 D CB -0.026 39.946 40.800 -1.380 0.000 0.959 427 D HN 0.312 nan 8.370 nan 0.000 0.452 428 A N -0.530 122.144 122.820 -0.243 0.000 1.902 428 A HA -0.117 4.202 4.320 -0.003 0.000 0.217 428 A C 2.291 179.852 177.584 -0.039 0.000 1.181 428 A CA 1.356 53.322 52.037 -0.118 0.000 0.623 428 A CB -1.245 17.698 19.000 -0.095 0.000 0.818 428 A HN 0.414 nan 8.150 nan 0.000 0.443 429 F N 0.856 120.728 119.950 -0.130 0.000 2.095 429 F HA -0.185 4.340 4.527 -0.004 0.000 0.298 429 F C 2.289 178.048 175.800 -0.068 0.000 1.104 429 F CA 2.327 60.275 58.000 -0.085 0.000 1.232 429 F CB -0.208 38.746 39.000 -0.075 0.000 0.987 429 F HN 0.355 nan 8.300 nan 0.000 0.475 430 E N -0.222 120.040 120.200 0.102 0.000 2.072 430 E HA -0.206 4.142 4.350 -0.003 0.000 0.191 430 E C 2.331 178.890 176.600 -0.068 0.000 0.985 430 E CA 1.148 57.566 56.400 0.030 0.000 0.801 430 E CB -0.168 29.584 29.700 0.086 0.000 0.750 430 E HN 0.446 nan 8.360 nan 0.000 0.452 431 R N 0.402 120.861 120.500 -0.067 0.000 2.075 431 R HA -0.062 4.276 4.340 -0.003 0.000 0.232 431 R C 2.385 178.620 176.300 -0.108 0.000 1.126 431 R CA 1.024 57.083 56.100 -0.068 0.000 0.963 431 R CB -0.273 29.996 30.300 -0.052 0.000 0.858 431 R HN 0.092 nan 8.270 nan 0.000 0.435 432 A N 1.318 124.045 122.820 -0.156 0.000 1.933 432 A HA -0.116 4.202 4.320 -0.003 0.000 0.218 432 A C 2.343 179.790 177.584 -0.228 0.000 1.175 432 A CA 1.666 53.591 52.037 -0.187 0.000 0.628 432 A CB -0.540 18.334 19.000 -0.211 0.000 0.814 432 A HN 0.397 nan 8.150 nan 0.000 0.444 433 A N -0.678 121.958 122.820 -0.307 0.000 2.019 433 A HA 0.154 4.472 4.320 -0.003 0.000 0.219 433 A C 2.254 179.763 177.584 -0.125 0.000 1.164 433 A CA 1.734 53.609 52.037 -0.271 0.000 0.644 433 A CB -1.024 17.783 19.000 -0.321 0.000 0.805 433 A HN 0.708 nan 8.150 nan 0.000 0.449 434 G N -1.176 107.566 108.800 -0.096 0.000 2.551 434 G HA2 0.042 4.000 3.960 -0.003 0.000 0.216 434 G HA3 0.042 4.000 3.960 -0.003 0.000 0.216 434 G C 1.324 176.196 174.900 -0.047 0.000 1.137 434 G CA 0.940 46.014 45.100 -0.043 0.000 0.798 434 G HN 0.452 nan 8.290 nan 0.000 0.536 435 E N 1.178 121.329 120.200 -0.082 0.000 2.033 435 E HA -0.137 4.211 4.350 -0.003 0.000 0.199 435 E C 0.654 177.183 176.600 -0.120 0.000 1.011 435 E CA 1.600 57.946 56.400 -0.090 0.000 0.815 435 E CB -1.555 28.085 29.700 -0.099 0.000 0.755 435 E HN 0.556 nan 8.360 nan 0.000 0.451 436 P HA -0.146 nan 4.420 nan 0.000 0.218 436 P C 0.727 177.770 177.300 -0.429 0.000 1.148 436 P CA 1.397 64.297 63.100 -0.334 0.000 0.822 436 P CB -0.129 31.300 31.700 -0.453 0.000 0.784 437 H N -1.464 117.578 119.070 -0.046 0.000 2.486 437 H HA 0.327 4.882 4.556 -0.002 0.000 0.284 437 H C 0.995 176.301 175.328 -0.037 0.000 1.103 437 H CA 0.363 56.387 56.048 -0.039 0.000 1.089 437 H CB -0.116 29.623 29.762 -0.038 0.000 1.603 437 H HN 0.148 nan 8.280 nan 0.000 0.557 438 G N 2.206 111.018 108.800 0.020 0.000 2.338 438 G HA2 -0.321 3.637 3.960 -0.003 0.000 0.296 438 G HA3 -0.321 3.637 3.960 -0.003 0.000 0.296 438 G C -0.039 174.868 174.900 0.012 0.000 1.040 438 G CA 0.002 45.105 45.100 0.006 0.000 1.004 438 G HN 0.360 nan 8.290 nan 0.000 0.509 439 R N -0.602 119.904 120.500 0.011 0.000 2.711 439 R HA 0.464 4.802 4.340 -0.003 0.000 0.284 439 R C -1.608 174.688 176.300 -0.007 0.000 0.968 439 R CA -2.081 54.020 56.100 0.003 0.000 0.924 439 R CB 1.710 32.014 30.300 0.006 0.000 1.162 439 R HN -0.001 nan 8.270 nan 0.000 0.465 440 P HA -0.162 nan 4.420 nan 0.000 0.216 440 P C -0.583 176.719 177.300 0.004 0.000 1.150 440 P CA 1.282 64.382 63.100 0.000 0.000 0.837 440 P CB 0.263 31.969 31.700 0.011 0.000 0.786 441 R N -3.745 116.758 120.500 0.005 0.000 2.728 441 R HA 0.546 4.884 4.340 -0.003 0.000 0.274 441 R C -2.140 174.156 176.300 -0.005 0.000 1.032 441 R CA -0.912 55.189 56.100 0.001 0.000 0.866 441 R CB 0.680 31.000 30.300 0.034 0.000 1.263 441 R HN -0.338 nan 8.270 nan 0.000 0.475 442 V N 2.145 122.051 119.914 -0.014 0.000 2.407 442 V HA 0.366 4.485 4.120 -0.003 0.000 0.291 442 V C -0.285 175.821 176.094 0.019 0.000 1.018 442 V CA -0.858 61.434 62.300 -0.014 0.000 0.842 442 V CB 1.529 33.337 31.823 -0.025 0.000 0.996 442 V HN 0.618 nan 8.190 nan 0.000 0.426 443 K N 4.532 124.939 120.400 0.012 0.000 2.270 443 K HA 0.485 4.803 4.320 -0.003 0.000 0.276 443 K C -0.584 176.049 176.600 0.055 0.000 1.023 443 K CA -0.378 55.934 56.287 0.042 0.000 0.955 443 K CB 0.995 33.507 32.500 0.020 0.000 0.975 443 K HN 0.499 nan 8.250 nan 0.000 0.471 444 L N 2.507 123.786 121.223 0.094 0.000 2.361 444 L HA 0.069 4.407 4.340 -0.003 0.000 0.278 444 L C 1.022 177.931 176.870 0.065 0.000 1.113 444 L CA -0.009 54.882 54.840 0.085 0.000 0.849 444 L CB 0.855 42.958 42.059 0.074 0.000 1.155 444 L HN 0.824 nan 8.230 nan 0.000 0.452 445 A N 2.211 125.077 122.820 0.077 0.000 2.308 445 A HA 0.228 4.546 4.320 -0.003 0.000 0.217 445 A C 0.753 178.426 177.584 0.147 0.000 1.216 445 A CA 0.304 52.411 52.037 0.117 0.000 0.864 445 A CB 0.037 19.127 19.000 0.151 0.000 0.902 445 A HN 0.669 nan 8.150 nan 0.000 0.499 446 S N -1.886 113.877 115.700 0.104 0.000 2.599 446 S HA 0.520 4.988 4.470 -0.003 0.000 0.287 446 S C 0.435 175.073 174.600 0.063 0.000 1.105 446 S CA -0.420 57.837 58.200 0.096 0.000 0.899 446 S CB 1.093 64.346 63.200 0.088 0.000 1.100 446 S HN 0.303 nan 8.310 nan 0.000 0.482 447 L N 1.970 123.232 121.223 0.065 0.000 2.042 447 L HA 0.111 4.449 4.340 -0.003 0.000 0.210 447 L C 2.607 179.491 176.870 0.023 0.000 1.076 447 L CA 2.645 57.512 54.840 0.046 0.000 0.749 447 L CB -1.418 40.679 42.059 0.063 0.000 0.893 447 L HN 0.986 nan 8.230 nan 0.000 0.432 448 A N -0.948 121.886 122.820 0.023 0.000 1.908 448 A HA -0.198 4.120 4.320 -0.003 0.000 0.218 448 A C 2.196 179.773 177.584 -0.013 0.000 1.181 448 A CA 1.789 53.828 52.037 0.004 0.000 0.627 448 A CB -0.572 18.434 19.000 0.010 0.000 0.818 448 A HN 0.541 nan 8.150 nan 0.000 0.445 449 E N -0.135 120.064 120.200 -0.002 0.000 2.072 449 E HA -0.105 4.243 4.350 -0.003 0.000 0.191 449 E C 2.101 178.664 176.600 -0.061 0.000 0.985 449 E CA 0.844 57.228 56.400 -0.025 0.000 0.801 449 E CB -0.401 29.306 29.700 0.011 0.000 0.750 449 E HN 0.670 nan 8.360 nan 0.000 0.452 450 L N 0.518 121.726 121.223 -0.025 0.000 2.012 450 L HA -0.199 4.139 4.340 -0.003 0.000 0.210 450 L C 2.563 179.402 176.870 -0.052 0.000 1.073 450 L CA 1.027 55.853 54.840 -0.024 0.000 0.748 450 L CB -0.400 41.669 42.059 0.016 0.000 0.891 450 L HN 0.112 nan 8.230 nan 0.000 0.431 451 L N -1.081 120.115 121.223 -0.046 0.000 2.156 451 L HA -0.147 4.191 4.340 -0.003 0.000 0.208 451 L C 2.772 179.579 176.870 -0.105 0.000 1.095 451 L CA 0.715 55.516 54.840 -0.064 0.000 0.770 451 L CB -0.530 41.504 42.059 -0.042 0.000 0.914 451 L HN 0.264 nan 8.230 nan 0.000 0.439 452 R N 0.663 121.097 120.500 -0.109 0.000 2.083 452 R HA -0.199 4.139 4.340 -0.003 0.000 0.237 452 R C 2.249 178.430 176.300 -0.198 0.000 1.137 452 R CA 1.629 57.650 56.100 -0.133 0.000 0.951 452 R CB -0.022 30.206 30.300 -0.121 0.000 0.851 452 R HN 0.208 nan 8.270 nan 0.000 0.434 453 I N -0.114 120.294 120.570 -0.271 0.000 2.193 453 I HA -0.091 4.077 4.170 -0.003 0.000 0.240 453 I C 2.533 178.500 176.117 -0.251 0.000 1.084 453 I CA 1.582 62.659 61.300 -0.372 0.000 1.365 453 I CB -1.820 35.806 38.000 -0.623 0.000 1.064 453 I HN 0.342 nan 8.210 nan 0.000 0.410 454 G N 0.983 109.672 108.800 -0.185 0.000 2.418 454 G HA2 -0.160 3.798 3.960 -0.003 0.000 0.217 454 G HA3 -0.160 3.798 3.960 -0.003 0.000 0.217 454 G C 1.577 176.275 174.900 -0.337 0.000 1.158 454 G CA 0.404 45.412 45.100 -0.153 0.000 0.771 454 G HN 0.372 nan 8.290 nan 0.000 0.545 455 L N 1.040 122.085 121.223 -0.296 0.000 2.728 455 L HA 0.301 4.639 4.340 -0.003 0.000 0.238 455 L C 1.814 178.529 176.870 -0.258 0.000 1.143 455 L CA -0.456 54.165 54.840 -0.364 0.000 0.937 455 L CB 0.030 41.969 42.059 -0.200 0.000 1.225 455 L HN 0.205 nan 8.230 nan 0.000 0.507 456 G N 0.000 108.670 108.800 -0.217 0.000 5.446 456 G HA2 0.000 3.958 3.960 -0.003 0.000 0.244 456 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 456 G CA 0.000 45.012 45.100 -0.147 0.000 0.502 456 G HN 0.000 nan 8.290 nan 0.000 0.925