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 3kn4_1_A DATA FIRST_RESID 9 DATA SEQUENCE ASPFRLASAG EISEVQGILR TAGLLGPEKR IAYLGVLDPA RGAGXXAEDR DATA SEQUENCE RFRVFIHDVS GARPQEVTVS VTNGTVISAV ELDTAATGEL PVLEEEFEVV DATA SEQUENCE EQLLATDERW LKALAARNLD VSKVRVAPLS AGVFEYAEER GRRILRGLAF DATA SEQUENCE VQDFPEDSAW AHPVDGLVAY VDVVSKEVTR VIDTGVFPVP AEHGNYTDPE DATA SEQUENCE LTGPLRTTQK PISITQPEGP SFTVTGGNHI EWEKWSLDVG FDVREGVVLH DATA SEQUENCE NIAFRDGDRL RPIINRASIA EMVVPYGDPS PIRSWQNYFD TGEYLVGQYA DATA SEQUENCE NSLELGCDcL GDITYLSPVI SDAFGNPREI RNGIcMHEED WGILAKHSDL DATA SEQUENCE WSGINYTRRN RRMVISFFTT IGNXDYGFYW YLYLDGTIEF EAKATGVVFT DATA SEQUENCE SAFPEGGSDN ISQLAPGLGA PFHQHIFSAR LDMAIDGFTN RVEEEDVVRQ DATA SEQUENCE TMGPGNERGN AFSRKRTVLT RESEAVREAD ARTGRTWIIS NPESKNRLNE DATA SEQUENCE PVGYKLHAHN QPTLLADPGS SIARRAAFAT KDLWVTRYAD DERYPTGDFV DATA SEQUENCE NQHSGGAGLP SYIAQDRDID GQDIVVWHTF GLTHFPRVED WPIMPVDTVG DATA SEQUENCE FKLRPEGFFD RSPVLDVPAN 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.582 177.584 -0.003 0.000 1.274 9 A CA 0.000 52.036 52.037 -0.001 0.000 0.836 9 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 10 S N 3.486 119.193 115.700 0.012 0.000 2.510 10 S HA 0.446 4.892 4.470 -0.039 0.000 0.279 10 S C -1.414 173.180 174.600 -0.011 0.000 1.284 10 S CA -0.594 57.627 58.200 0.035 0.000 1.059 10 S CB 0.563 63.815 63.200 0.086 0.000 0.901 10 S HN 0.566 nan 8.310 nan 0.000 0.491 11 P HA 0.028 nan 4.420 nan 0.000 0.239 11 P C 0.115 177.123 177.300 -0.488 0.000 1.184 11 P CA 0.638 63.564 63.100 -0.290 0.000 0.760 11 P CB -0.149 31.309 31.700 -0.404 0.000 0.884 12 F N 0.391 120.273 119.950 -0.114 0.000 2.664 12 F HA 0.197 4.701 4.527 -0.039 0.000 0.303 12 F C 1.583 177.309 175.800 -0.124 0.000 1.092 12 F CA -0.719 57.161 58.000 -0.200 0.000 1.305 12 F CB -0.224 38.639 39.000 -0.227 0.000 1.054 12 F HN -0.159 nan 8.300 nan 0.000 0.565 13 R N 0.856 121.393 120.500 0.061 0.000 2.811 13 R HA 0.180 4.497 4.340 -0.039 0.000 0.265 13 R C -0.040 176.284 176.300 0.041 0.000 1.026 13 R CA -0.434 55.704 56.100 0.063 0.000 1.142 13 R CB 0.345 30.674 30.300 0.048 0.000 1.027 13 R HN 0.144 nan 8.270 nan 0.000 0.465 14 L N 1.300 122.560 121.223 0.060 0.000 2.483 14 L HA 0.092 4.409 4.340 -0.039 0.000 0.275 14 L C 0.779 177.689 176.870 0.067 0.000 1.220 14 L CA -0.086 54.791 54.840 0.063 0.000 0.833 14 L CB 0.330 42.425 42.059 0.060 0.000 1.102 14 L HN 0.858 nan 8.230 nan 0.000 0.490 15 A N 2.213 125.088 122.820 0.092 0.000 2.511 15 A HA 0.335 4.632 4.320 -0.039 0.000 0.242 15 A C 0.355 178.003 177.584 0.107 0.000 1.069 15 A CA -0.217 51.922 52.037 0.170 0.000 0.763 15 A CB 0.038 19.204 19.000 0.277 0.000 1.001 15 A HN 0.745 nan 8.150 nan 0.000 0.498 16 S N 1.664 117.420 115.700 0.092 0.000 2.687 16 S HA 0.598 5.045 4.470 -0.039 0.000 0.283 16 S C 1.256 175.865 174.600 0.014 0.000 1.170 16 S CA -0.230 57.994 58.200 0.040 0.000 1.008 16 S CB 1.498 64.715 63.200 0.028 0.000 1.026 16 S HN 1.550 nan 8.310 nan 0.000 0.541 17 A N 1.747 124.566 122.820 -0.002 0.000 1.917 17 A HA 0.058 4.355 4.320 -0.039 0.000 0.219 17 A C 2.147 179.709 177.584 -0.037 0.000 1.182 17 A CA 1.953 53.979 52.037 -0.018 0.000 0.633 17 A CB -1.818 17.173 19.000 -0.015 0.000 0.819 17 A HN 1.166 nan 8.150 nan 0.000 0.448 18 G N -0.711 108.070 108.800 -0.031 0.000 2.422 18 G HA2 -0.194 3.743 3.960 -0.039 0.000 0.218 18 G HA3 -0.194 3.743 3.960 -0.039 0.000 0.218 18 G C 1.417 176.269 174.900 -0.080 0.000 1.146 18 G CA 0.962 46.035 45.100 -0.045 0.000 0.769 18 G HN 0.673 nan 8.290 nan 0.000 0.547 19 E N -0.142 120.006 120.200 -0.087 0.000 2.150 19 E HA -0.012 4.315 4.350 -0.039 0.000 0.193 19 E C 2.442 178.826 176.600 -0.360 0.000 0.985 19 E CA 0.374 56.661 56.400 -0.189 0.000 0.814 19 E CB -0.073 29.567 29.700 -0.100 0.000 0.752 19 E HN 0.489 nan 8.360 nan 0.000 0.466 20 I N 0.633 121.050 120.570 -0.254 0.000 2.233 20 I HA -0.227 3.920 4.170 -0.039 0.000 0.243 20 I C 2.346 178.346 176.117 -0.194 0.000 1.093 20 I CA 0.675 61.817 61.300 -0.263 0.000 1.380 20 I CB -0.137 37.787 38.000 -0.127 0.000 1.067 20 I HN -0.012 nan 8.210 nan 0.000 0.413 21 S N 0.306 115.929 115.700 -0.127 0.000 2.374 21 S HA -0.266 4.181 4.470 -0.039 0.000 0.227 21 S C 1.922 176.458 174.600 -0.106 0.000 1.037 21 S CA 1.710 59.856 58.200 -0.091 0.000 1.024 21 S CB -0.279 62.882 63.200 -0.064 0.000 0.861 21 S HN 0.383 nan 8.310 nan 0.000 0.456 22 E N 0.840 120.957 120.200 -0.137 0.000 2.152 22 E HA -0.045 4.282 4.350 -0.039 0.000 0.192 22 E C 1.861 178.368 176.600 -0.156 0.000 0.983 22 E CA 0.605 56.928 56.400 -0.129 0.000 0.818 22 E CB -0.182 29.442 29.700 -0.125 0.000 0.758 22 E HN 0.271 nan 8.360 nan 0.000 0.467 23 V N 0.787 120.554 119.914 -0.245 0.000 2.343 23 V HA -0.268 3.829 4.120 -0.039 0.000 0.247 23 V C 2.524 178.541 176.094 -0.128 0.000 1.051 23 V CA 2.139 64.299 62.300 -0.234 0.000 1.036 23 V CB -0.605 30.992 31.823 -0.376 0.000 0.654 23 V HN 0.390 nan 8.190 nan 0.000 0.451 24 Q N 0.279 120.012 119.800 -0.113 0.000 2.030 24 Q HA -0.200 4.117 4.340 -0.039 0.000 0.204 24 Q C 2.284 178.259 176.000 -0.042 0.000 0.986 24 Q CA 2.278 58.047 55.803 -0.057 0.000 0.843 24 Q CB -0.574 28.139 28.738 -0.042 0.000 0.904 24 Q HN 0.634 nan 8.270 nan 0.000 0.420 25 G N 1.016 109.784 108.800 -0.052 0.000 2.446 25 G HA2 -0.266 3.671 3.960 -0.039 0.000 0.217 25 G HA3 -0.266 3.671 3.960 -0.039 0.000 0.217 25 G C 1.398 176.278 174.900 -0.034 0.000 1.168 25 G CA 1.139 46.215 45.100 -0.040 0.000 0.771 25 G HN 0.400 nan 8.290 nan 0.000 0.551 26 I N 0.299 120.843 120.570 -0.044 0.000 2.226 26 I HA -0.122 4.025 4.170 -0.039 0.000 0.245 26 I C 2.692 178.798 176.117 -0.018 0.000 1.100 26 I CA 0.672 61.953 61.300 -0.031 0.000 1.374 26 I CB -0.169 37.809 38.000 -0.037 0.000 1.057 26 I HN 0.126 nan 8.210 nan 0.000 0.413 27 L N -0.136 121.076 121.223 -0.019 0.000 2.056 27 L HA -0.154 4.163 4.340 -0.039 0.000 0.207 27 L C 2.753 179.624 176.870 0.001 0.000 1.078 27 L CA 1.226 56.064 54.840 -0.002 0.000 0.749 27 L CB -0.513 41.547 42.059 0.002 0.000 0.901 27 L HN 0.124 nan 8.230 nan 0.000 0.433 28 R N -0.529 119.969 120.500 -0.003 0.000 2.070 28 R HA -0.140 4.177 4.340 -0.039 0.000 0.232 28 R C 2.320 178.618 176.300 -0.003 0.000 1.138 28 R CA 2.030 58.129 56.100 -0.001 0.000 0.936 28 R CB -0.682 29.616 30.300 -0.004 0.000 0.839 28 R HN 0.240 nan 8.270 nan 0.000 0.429 29 T N 0.586 115.135 114.554 -0.008 0.000 2.778 29 T HA -0.180 4.147 4.350 -0.039 0.000 0.269 29 T C 1.551 176.248 174.700 -0.004 0.000 1.050 29 T CA 1.552 63.648 62.100 -0.007 0.000 1.137 29 T CB -0.154 68.708 68.868 -0.011 0.000 0.860 29 T HN 0.394 nan 8.240 nan 0.000 0.468 30 A N -0.005 122.814 122.820 -0.002 0.000 2.251 30 A HA 0.529 4.826 4.320 -0.039 0.000 0.209 30 A C 1.822 179.408 177.584 0.004 0.000 1.187 30 A CA 0.743 52.781 52.037 0.002 0.000 0.823 30 A CB -0.627 18.376 19.000 0.005 0.000 0.846 30 A HN 0.712 nan 8.150 nan 0.000 0.486 31 G N -1.169 107.633 108.800 0.003 0.000 2.143 31 G HA2 -0.249 3.688 3.960 -0.039 0.000 0.248 31 G HA3 -0.249 3.688 3.960 -0.039 0.000 0.248 31 G C 0.609 175.513 174.900 0.007 0.000 0.991 31 G CA 0.560 45.663 45.100 0.004 0.000 0.689 31 G HN 0.490 nan 8.290 nan 0.000 0.522 32 L N -1.396 119.834 121.223 0.011 0.000 2.590 32 L HA 0.434 4.751 4.340 -0.039 0.000 0.227 32 L C 1.336 178.219 176.870 0.022 0.000 1.099 32 L CA 0.175 55.025 54.840 0.017 0.000 0.872 32 L CB 0.433 42.506 42.059 0.023 0.000 1.088 32 L HN 0.200 nan 8.230 nan 0.000 0.479 33 L N 0.755 121.991 121.223 0.022 0.000 2.892 33 L HA 0.466 4.783 4.340 -0.039 0.000 0.251 33 L C 0.812 177.703 176.870 0.036 0.000 1.339 33 L CA -0.261 54.598 54.840 0.033 0.000 0.900 33 L CB 0.194 42.274 42.059 0.034 0.000 1.246 33 L HN -0.060 nan 8.230 nan 0.000 0.524 34 G N 0.647 109.464 108.800 0.027 0.000 2.716 34 G HA2 0.199 4.135 3.960 -0.039 0.000 0.251 34 G HA3 0.199 4.135 3.960 -0.039 0.000 0.251 34 G C -1.502 173.425 174.900 0.045 0.000 1.224 34 G CA -0.413 44.702 45.100 0.025 0.000 0.891 34 G HN 0.402 nan 8.290 nan 0.000 0.561 35 P HA -0.003 nan 4.420 nan 0.000 0.230 35 P C 0.825 178.173 177.300 0.080 0.000 1.158 35 P CA 0.836 63.970 63.100 0.057 0.000 0.769 35 P CB 0.413 32.126 31.700 0.023 0.000 0.807 36 E N -0.327 119.900 120.200 0.045 0.000 2.479 36 E HA 0.068 4.395 4.350 -0.039 0.000 0.193 36 E C 0.457 177.061 176.600 0.007 0.000 1.049 36 E CA 0.378 56.793 56.400 0.025 0.000 0.870 36 E CB 0.092 29.786 29.700 -0.009 0.000 0.944 36 E HN 0.314 nan 8.360 nan 0.000 0.492 37 K N 1.561 121.982 120.400 0.035 0.000 2.143 37 K HA 0.345 4.641 4.320 -0.039 0.000 0.272 37 K C 0.363 176.988 176.600 0.043 0.000 1.001 37 K CA -0.454 55.845 56.287 0.020 0.000 0.915 37 K CB 1.493 34.012 32.500 0.031 0.000 1.047 37 K HN -0.168 nan 8.250 nan 0.000 0.458 38 R N 2.063 122.577 120.500 0.023 0.000 2.575 38 R HA 0.429 4.746 4.340 -0.039 0.000 0.293 38 R C -0.091 176.220 176.300 0.018 0.000 0.983 38 R CA -0.772 55.312 56.100 -0.028 0.000 0.887 38 R CB 1.214 31.508 30.300 -0.009 0.000 1.184 38 R HN 0.579 nan 8.270 nan 0.000 0.445 39 I N 2.493 123.040 120.570 -0.039 0.000 2.347 39 I HA 0.059 4.206 4.170 -0.039 0.000 0.294 39 I C 1.374 177.498 176.117 0.012 0.000 1.090 39 I CA 0.152 61.455 61.300 0.005 0.000 1.314 39 I CB 1.373 39.353 38.000 -0.033 0.000 1.423 39 I HN 0.724 nan 8.210 nan 0.000 0.503 40 A N 6.700 129.587 122.820 0.112 0.000 2.021 40 A HA -0.011 4.286 4.320 -0.039 0.000 0.216 40 A C 0.379 178.079 177.584 0.192 0.000 1.163 40 A CA 0.951 53.069 52.037 0.136 0.000 0.676 40 A CB 0.152 19.271 19.000 0.200 0.000 0.818 40 A HN 0.667 nan 8.150 nan 0.000 0.453 41 Y N -1.862 118.451 120.300 0.021 0.000 2.482 41 Y HA 0.580 5.107 4.550 -0.039 0.000 0.334 41 Y C -1.698 174.088 175.900 -0.191 0.000 1.091 41 Y CA -1.213 56.798 58.100 -0.148 0.000 1.027 41 Y CB 1.399 39.631 38.460 -0.381 0.000 1.306 41 Y HN 0.133 nan 8.280 nan 0.000 0.446 42 L N 5.656 126.201 121.223 -1.130 0.000 2.516 42 L HA 0.954 5.271 4.340 -0.039 0.000 0.267 42 L C -1.200 175.116 176.870 -0.923 0.000 0.957 42 L CA -0.218 54.146 54.840 -0.793 0.000 0.860 42 L CB 1.812 43.698 42.059 -0.289 0.000 1.265 42 L HN 0.909 nan 8.230 nan 0.000 0.403 43 G N 3.004 111.403 108.800 -0.670 0.000 2.696 43 G HA2 0.475 4.412 3.960 -0.039 0.000 0.295 43 G HA3 0.475 4.412 3.960 -0.039 0.000 0.295 43 G C -1.723 172.987 174.900 -0.317 0.000 1.398 43 G CA -0.632 44.272 45.100 -0.326 0.000 0.920 43 G HN 0.452 nan 8.290 nan 0.000 0.492 44 V N 2.038 121.602 119.914 -0.583 0.000 2.637 44 V HA 0.385 4.482 4.120 -0.039 0.000 0.296 44 V C 0.426 176.260 176.094 -0.435 0.000 1.046 44 V CA -0.253 61.449 62.300 -0.997 0.000 1.066 44 V CB 0.374 31.605 31.823 -0.986 0.000 0.968 44 V HN 0.542 nan 8.190 nan 0.000 0.483 45 L N 5.557 126.561 121.223 -0.365 0.000 2.418 45 L HA 0.393 4.709 4.340 -0.039 0.000 0.265 45 L C 0.168 176.923 176.870 -0.192 0.000 1.143 45 L CA -0.569 54.163 54.840 -0.180 0.000 0.809 45 L CB 0.593 42.585 42.059 -0.112 0.000 1.124 45 L HN 0.583 nan 8.230 nan 0.000 0.456 46 D N 1.908 122.245 120.400 -0.105 0.000 2.345 46 D HA 0.226 4.842 4.640 -0.039 0.000 0.247 46 D C -2.000 174.214 176.300 -0.143 0.000 1.108 46 D CA -0.932 53.005 54.000 -0.105 0.000 0.894 46 D CB 0.515 41.357 40.800 0.070 0.000 1.203 46 D HN 0.237 nan 8.370 nan 0.000 0.430 47 P HA 0.121 nan 4.420 nan 0.000 0.266 47 P C -0.681 176.574 177.300 -0.075 0.000 1.193 47 P CA -0.166 62.811 63.100 -0.205 0.000 0.770 47 P CB 0.424 31.928 31.700 -0.327 0.000 0.836 48 A N 3.253 126.040 122.820 -0.055 0.000 2.366 48 A HA 0.164 4.461 4.320 -0.039 0.000 0.249 48 A C 0.463 178.026 177.584 -0.034 0.000 1.084 48 A CA -0.360 51.665 52.037 -0.020 0.000 0.794 48 A CB 0.055 nan 19.000 nan 0.000 1.034 48 A HN 0.471 nan 8.150 nan 0.000 0.491 49 R N 0.126 120.592 120.500 -0.056 0.000 2.504 49 R HA 0.205 4.521 4.340 -0.039 0.000 0.291 49 R C 1.197 177.451 176.300 -0.077 0.000 0.974 49 R CA 1.443 57.462 56.100 -0.133 0.000 1.077 49 R CB -0.228 29.943 30.300 -0.214 0.000 0.926 49 R HN 1.607 nan 8.270 nan 0.000 0.407 50 G N 1.966 110.735 108.800 -0.051 0.000 2.160 50 G HA2 -0.352 3.585 3.960 -0.039 0.000 0.251 50 G HA3 -0.352 3.585 3.960 -0.039 0.000 0.251 50 G C 0.799 175.695 174.900 -0.008 0.000 1.008 50 G CA 0.342 45.433 45.100 -0.015 0.000 0.724 50 G HN 0.739 nan 8.290 nan 0.000 0.514 51 A N -0.351 122.462 122.820 -0.011 0.000 1.929 51 A HA 0.532 4.829 4.320 -0.039 0.000 0.216 51 A C 2.062 179.637 177.584 -0.016 0.000 1.176 51 A CA 2.050 54.073 52.037 -0.024 0.000 0.628 51 A CB -0.409 18.559 19.000 -0.053 0.000 0.816 51 A HN 1.823 nan 8.150 nan 0.000 0.444 56 E N 1.566 121.745 120.200 -0.035 0.000 2.606 56 E HA 0.217 4.544 4.350 -0.039 0.000 0.248 56 E C -0.399 176.177 176.600 -0.040 0.000 1.005 56 E CA 0.899 57.270 56.400 -0.048 0.000 0.946 56 E CB 0.436 30.111 29.700 -0.041 0.000 0.928 56 E HN 0.396 nan 8.360 nan 0.000 0.494 57 D N 4.619 124.986 120.400 -0.054 0.000 2.400 57 D HA 0.136 4.753 4.640 -0.039 0.000 0.272 57 D C -0.933 175.342 176.300 -0.041 0.000 1.220 57 D CA -0.621 53.358 54.000 -0.035 0.000 0.897 57 D CB 0.143 40.925 40.800 -0.030 0.000 1.134 57 D HN 0.260 nan 8.370 nan 0.000 0.507 58 R N 2.795 123.286 120.500 -0.015 0.000 2.402 58 R HA 0.205 4.522 4.340 -0.039 0.000 0.331 58 R C 0.315 176.671 176.300 0.094 0.000 1.040 58 R CA 0.107 56.215 56.100 0.013 0.000 0.980 58 R CB 0.136 30.494 30.300 0.097 0.000 0.967 58 R HN 0.345 nan 8.270 nan 0.000 0.440 59 R N 2.302 122.809 120.500 0.011 0.000 2.604 59 R HA 0.498 4.815 4.340 -0.039 0.000 0.287 59 R C -0.570 175.728 176.300 -0.003 0.000 0.970 59 R CA -0.604 55.542 56.100 0.077 0.000 0.946 59 R CB 1.262 31.569 30.300 0.013 0.000 1.127 59 R HN 0.219 nan 8.270 nan 0.000 0.473 60 F N 0.442 120.375 119.950 -0.028 0.000 2.540 60 F HA 0.456 4.959 4.527 -0.039 0.000 0.317 60 F C 0.286 176.078 175.800 -0.013 0.000 1.104 60 F CA -0.821 57.157 58.000 -0.037 0.000 0.913 60 F CB 1.943 40.909 39.000 -0.058 0.000 1.170 60 F HN 0.201 nan 8.300 nan 0.000 0.450 61 R N 1.823 122.398 120.500 0.125 0.000 2.532 61 R HA 0.878 5.195 4.340 -0.039 0.000 0.295 61 R C -1.846 174.503 176.300 0.081 0.000 0.968 61 R CA -0.566 55.613 56.100 0.132 0.000 0.916 61 R CB 1.537 31.925 30.300 0.147 0.000 1.124 61 R HN 0.542 nan 8.270 nan 0.000 0.463 62 V N 4.625 124.614 119.914 0.125 0.000 2.686 62 V HA 0.461 4.558 4.120 -0.039 0.000 0.306 62 V C -1.229 175.057 176.094 0.321 0.000 1.065 62 V CA -0.839 61.520 62.300 0.098 0.000 0.894 62 V CB 1.819 33.693 31.823 0.085 0.000 1.004 62 V HN 0.559 nan 8.190 nan 0.000 0.424 63 F N 4.360 124.471 119.950 0.269 0.000 2.411 63 F HA 0.648 5.151 4.527 -0.039 0.000 0.352 63 F C 0.118 176.009 175.800 0.151 0.000 1.123 63 F CA -1.744 56.397 58.000 0.236 0.000 1.044 63 F CB 1.220 40.405 39.000 0.308 0.000 1.135 63 F HN 0.215 nan 8.300 nan 0.000 0.461 64 I N 3.929 124.673 120.570 0.289 0.000 2.362 64 I HA 0.227 4.374 4.170 -0.039 0.000 0.289 64 I C 0.062 176.274 176.117 0.158 0.000 0.994 64 I CA -0.517 60.888 61.300 0.174 0.000 1.158 64 I CB 1.310 39.375 38.000 0.109 0.000 1.315 64 I HN 0.583 nan 8.210 nan 0.000 0.451 65 H N 6.256 125.355 119.070 0.047 0.000 2.483 65 H HA 0.281 4.814 4.556 -0.038 0.000 0.338 65 H C -1.412 173.917 175.328 0.003 0.000 1.152 65 H CA -0.486 55.569 56.048 0.012 0.000 1.264 65 H CB 1.936 31.703 29.762 0.007 0.000 1.510 65 H HN 0.520 nan 8.280 nan 0.000 0.530 66 D N 3.952 123.936 120.400 -0.693 0.000 2.425 66 D HA 0.060 4.677 4.640 -0.039 0.000 0.240 66 D C 1.285 177.189 176.300 -0.659 0.000 1.080 66 D CA -0.517 53.189 54.000 -0.490 0.000 0.836 66 D CB 1.819 42.474 40.800 -0.242 0.000 1.125 66 D HN 0.489 nan 8.370 nan 0.000 0.525 67 V N 1.757 121.458 119.914 -0.355 0.000 3.141 67 V HA -0.043 4.054 4.120 -0.039 0.000 0.265 67 V C 1.361 177.409 176.094 -0.078 0.000 1.126 67 V CA 0.940 63.154 62.300 -0.144 0.000 1.141 67 V CB -0.339 31.485 31.823 0.001 0.000 0.743 67 V HN 0.347 nan 8.190 nan 0.000 0.492 68 S N 0.586 116.230 115.700 -0.094 0.000 2.593 68 S HA 0.431 4.878 4.470 -0.039 0.000 0.217 68 S C 1.679 176.246 174.600 -0.055 0.000 0.966 68 S CA 0.741 58.909 58.200 -0.053 0.000 0.914 68 S CB 0.229 63.403 63.200 -0.043 0.000 0.776 68 S HN 1.317 nan 8.310 nan 0.000 0.523 69 G N 1.255 110.007 108.800 -0.080 0.000 2.175 69 G HA2 -0.208 3.729 3.960 -0.039 0.000 0.244 69 G HA3 -0.208 3.729 3.960 -0.039 0.000 0.244 69 G C 0.270 175.133 174.900 -0.061 0.000 0.982 69 G CA -0.112 44.956 45.100 -0.053 0.000 0.641 69 G HN 0.846 nan 8.290 nan 0.000 0.527 70 A N 0.093 122.864 122.820 -0.081 0.000 2.448 70 A HA 0.662 4.959 4.320 -0.039 0.000 0.239 70 A C 0.892 178.428 177.584 -0.081 0.000 1.080 70 A CA 0.378 52.372 52.037 -0.071 0.000 0.779 70 A CB 0.210 19.169 19.000 -0.068 0.000 1.026 70 A HN 0.589 nan 8.150 nan 0.000 0.499 71 R N 0.942 121.402 120.500 -0.066 0.000 2.590 71 R HA 0.300 4.617 4.340 -0.039 0.000 0.274 71 R C -2.211 174.046 176.300 -0.072 0.000 1.061 71 R CA -1.018 55.040 56.100 -0.070 0.000 1.081 71 R CB 0.054 30.312 30.300 -0.070 0.000 0.984 71 R HN 0.565 nan 8.270 nan 0.000 0.448 72 P HA 0.079 nan 4.420 nan 0.000 0.277 72 P C -1.169 176.096 177.300 -0.058 0.000 1.271 72 P CA -0.392 62.678 63.100 -0.050 0.000 0.795 72 P CB 0.785 32.465 31.700 -0.034 0.000 1.101 73 Q N -0.415 119.384 119.800 -0.002 0.000 2.375 73 Q HA 0.353 4.670 4.340 -0.039 0.000 0.271 73 Q C -0.719 175.345 176.000 0.107 0.000 1.074 73 Q CA -0.653 55.164 55.803 0.024 0.000 0.808 73 Q CB 2.684 31.447 28.738 0.042 0.000 1.327 73 Q HN 0.472 nan 8.270 nan 0.000 0.441 74 E N 1.909 122.179 120.200 0.117 0.000 2.146 74 E HA 0.436 4.763 4.350 -0.039 0.000 0.282 74 E C -1.374 175.357 176.600 0.219 0.000 0.989 74 E CA -0.462 56.102 56.400 0.273 0.000 0.799 74 E CB 1.273 31.132 29.700 0.264 0.000 1.088 74 E HN 0.271 nan 8.360 nan 0.000 0.397 75 V N 3.596 123.659 119.914 0.248 0.000 2.638 75 V HA 0.317 4.414 4.120 -0.039 0.000 0.306 75 V C -0.384 175.805 176.094 0.157 0.000 1.052 75 V CA -0.780 61.618 62.300 0.162 0.000 0.885 75 V CB 2.271 34.170 31.823 0.126 0.000 0.999 75 V HN 0.684 nan 8.190 nan 0.000 0.424 76 T N 4.045 118.671 114.554 0.120 0.000 2.770 76 T HA 0.642 4.969 4.350 -0.039 0.000 0.283 76 T C -0.421 174.332 174.700 0.089 0.000 0.988 76 T CA -0.341 61.824 62.100 0.109 0.000 0.957 76 T CB 1.549 70.470 68.868 0.089 0.000 0.930 76 T HN 0.356 nan 8.240 nan 0.000 0.443 77 V N 2.612 122.589 119.914 0.104 0.000 2.667 77 V HA 0.664 4.761 4.120 -0.039 0.000 0.308 77 V C 0.115 176.270 176.094 0.102 0.000 1.048 77 V CA -0.824 61.525 62.300 0.083 0.000 0.928 77 V CB 2.142 34.000 31.823 0.058 0.000 1.004 77 V HN 0.872 nan 8.190 nan 0.000 0.444 78 S N 2.822 118.562 115.700 0.066 0.000 2.448 78 S HA 0.351 4.798 4.470 -0.039 0.000 0.320 78 S C 0.494 175.122 174.600 0.047 0.000 1.071 78 S CA -0.550 57.690 58.200 0.068 0.000 1.113 78 S CB 1.355 64.578 63.200 0.037 0.000 0.972 78 S HN 0.436 nan 8.310 nan 0.000 0.465 79 V N 5.006 124.962 119.914 0.070 0.000 2.788 79 V HA -0.066 4.031 4.120 -0.039 0.000 0.251 79 V C 2.743 178.842 176.094 0.007 0.000 1.068 79 V CA 1.959 64.262 62.300 0.005 0.000 1.090 79 V CB -1.009 30.794 31.823 -0.033 0.000 0.710 79 V HN 1.013 nan 8.190 nan 0.000 0.467 80 T N -0.970 113.600 114.554 0.027 0.000 2.708 80 T HA -0.187 4.140 4.350 -0.039 0.000 0.266 80 T C 1.582 176.284 174.700 0.002 0.000 1.037 80 T CA 1.770 63.877 62.100 0.012 0.000 1.146 80 T CB -0.380 68.494 68.868 0.009 0.000 0.865 80 T HN 0.420 nan 8.240 nan 0.000 0.435 81 N N 1.303 120.006 118.700 0.004 0.000 2.373 81 N HA 0.210 4.927 4.740 -0.039 0.000 0.181 81 N C 1.450 176.958 175.510 -0.003 0.000 1.082 81 N CA 0.806 53.856 53.050 0.001 0.000 0.885 81 N CB -0.045 38.444 38.487 0.003 0.000 0.977 81 N HN 0.744 nan 8.380 nan 0.000 0.462 82 G N 1.303 110.100 108.800 -0.006 0.000 2.246 82 G HA2 -0.267 3.670 3.960 -0.039 0.000 0.273 82 G HA3 -0.267 3.670 3.960 -0.039 0.000 0.273 82 G C 0.156 175.052 174.900 -0.007 0.000 1.055 82 G CA 0.974 46.067 45.100 -0.013 0.000 0.851 82 G HN 0.536 nan 8.290 nan 0.000 0.500 83 T N -3.719 110.835 114.554 0.001 0.000 2.926 83 T HA 0.731 5.058 4.350 -0.039 0.000 0.289 83 T C -0.276 174.432 174.700 0.013 0.000 1.054 83 T CA -0.608 61.495 62.100 0.006 0.000 1.015 83 T CB 2.790 71.663 68.868 0.007 0.000 1.167 83 T HN 0.765 nan 8.240 nan 0.000 0.526 84 V N 3.066 122.989 119.914 0.015 0.000 2.350 84 V HA 0.231 4.328 4.120 -0.039 0.000 0.276 84 V C 0.977 177.086 176.094 0.026 0.000 1.028 84 V CA -0.749 61.565 62.300 0.024 0.000 0.860 84 V CB 0.719 32.556 31.823 0.023 0.000 0.990 84 V HN 0.805 nan 8.190 nan 0.000 0.453 85 I N 3.191 123.782 120.570 0.034 0.000 2.333 85 I HA 0.021 4.168 4.170 -0.039 0.000 0.246 85 I C 1.090 177.227 176.117 0.033 0.000 1.106 85 I CA 1.222 62.541 61.300 0.031 0.000 1.411 85 I CB -0.450 37.571 38.000 0.035 0.000 1.082 85 I HN 0.790 nan 8.210 nan 0.000 0.420 86 S N -0.414 115.312 115.700 0.043 0.000 2.565 86 S HA 0.821 5.268 4.470 -0.039 0.000 0.269 86 S C -1.005 173.629 174.600 0.057 0.000 1.153 86 S CA -0.372 57.855 58.200 0.045 0.000 0.835 86 S CB 2.572 65.800 63.200 0.047 0.000 1.122 86 S HN 0.353 nan 8.310 nan 0.000 0.462 87 A N 0.906 123.756 122.820 0.050 0.000 2.509 87 A HA 0.738 5.035 4.320 -0.039 0.000 0.282 87 A C -1.154 176.455 177.584 0.041 0.000 1.054 87 A CA -0.477 51.593 52.037 0.054 0.000 0.820 87 A CB 1.072 20.097 19.000 0.043 0.000 1.333 87 A HN 1.910 nan 8.150 nan 0.000 0.409 88 V N 1.926 121.867 119.914 0.045 0.000 2.823 88 V HA 0.660 4.757 4.120 -0.039 0.000 0.312 88 V C -0.318 175.776 176.094 0.001 0.000 1.072 88 V CA -0.558 61.755 62.300 0.021 0.000 0.937 88 V CB 1.829 33.667 31.823 0.025 0.000 1.013 88 V HN 0.966 nan 8.190 nan 0.000 0.430 89 E N 4.056 124.243 120.200 -0.021 0.000 2.283 89 E HA 0.514 4.841 4.350 -0.039 0.000 0.278 89 E C -1.246 175.303 176.600 -0.084 0.000 1.027 89 E CA -0.534 55.838 56.400 -0.047 0.000 0.843 89 E CB 1.271 30.947 29.700 -0.040 0.000 1.062 89 E HN 0.660 nan 8.360 nan 0.000 0.401 90 L N 3.342 124.483 121.223 -0.136 0.000 2.309 90 L HA 0.284 4.601 4.340 -0.039 0.000 0.282 90 L C -0.042 176.713 176.870 -0.191 0.000 1.036 90 L CA -0.761 53.949 54.840 -0.218 0.000 0.806 90 L CB 1.269 43.086 42.059 -0.404 0.000 1.220 90 L HN 0.484 nan 8.230 nan 0.000 0.429 91 D N 1.435 121.729 120.400 -0.178 0.000 2.468 91 D HA 0.046 4.663 4.640 -0.039 0.000 0.218 91 D C 1.294 177.478 176.300 -0.193 0.000 1.155 91 D CA -0.191 53.721 54.000 -0.147 0.000 0.924 91 D CB 1.219 41.957 40.800 -0.103 0.000 1.029 91 D HN 0.690 nan 8.370 nan 0.000 0.515 92 T N 0.695 115.126 114.554 -0.205 0.000 2.915 92 T HA -0.109 4.218 4.350 -0.039 0.000 0.269 92 T C 1.867 176.465 174.700 -0.172 0.000 1.071 92 T CA 0.918 62.871 62.100 -0.246 0.000 1.132 92 T CB -0.053 68.686 68.868 -0.215 0.000 0.878 92 T HN 0.237 nan 8.240 nan 0.000 0.479 93 A N 1.448 124.201 122.820 -0.112 0.000 1.972 93 A HA 0.341 4.638 4.320 -0.039 0.000 0.219 93 A C 2.693 180.243 177.584 -0.058 0.000 1.169 93 A CA 1.770 53.767 52.037 -0.068 0.000 0.635 93 A CB -1.159 17.812 19.000 -0.047 0.000 0.810 93 A HN 0.773 nan 8.150 nan 0.000 0.446 94 A N -0.858 121.910 122.820 -0.086 0.000 1.871 94 A HA 0.085 4.382 4.320 -0.039 0.000 0.211 94 A C 2.238 179.751 177.584 -0.118 0.000 1.207 94 A CA 1.980 53.977 52.037 -0.067 0.000 0.620 94 A CB -0.795 18.165 19.000 -0.067 0.000 0.860 94 A HN 0.716 nan 8.150 nan 0.000 0.450 95 T N -3.864 110.540 114.554 -0.250 0.000 3.069 95 T HA 0.483 4.809 4.350 -0.039 0.000 0.252 95 T C 0.768 175.046 174.700 -0.703 0.000 1.053 95 T CA 0.817 62.666 62.100 -0.418 0.000 0.964 95 T CB 0.075 68.785 68.868 -0.263 0.000 1.005 95 T HN 1.905 nan 8.240 nan 0.000 0.532 96 G N 0.980 109.479 108.800 -0.502 0.000 2.640 96 G HA2 0.067 4.004 3.960 -0.039 0.000 0.686 96 G HA3 0.067 4.004 3.960 -0.039 0.000 0.686 96 G C -1.083 173.638 174.900 -0.300 0.000 1.229 96 G CA -1.077 43.829 45.100 -0.323 0.000 0.796 96 G HN 0.221 nan 8.290 nan 0.000 0.654 97 E N -0.188 119.918 120.200 -0.157 0.000 2.374 97 E HA 0.472 4.799 4.350 -0.039 0.000 0.260 97 E C 0.801 177.328 176.600 -0.120 0.000 1.101 97 E CA -0.534 55.774 56.400 -0.152 0.000 0.907 97 E CB 0.995 30.644 29.700 -0.084 0.000 1.014 97 E HN 0.361 nan 8.360 nan 0.000 0.427 98 L N 2.283 123.436 121.223 -0.117 0.000 2.472 98 L HA 0.188 4.504 4.340 -0.039 0.000 0.260 98 L C -1.998 174.893 176.870 0.035 0.000 1.209 98 L CA -1.439 53.401 54.840 0.000 0.000 0.817 98 L CB -0.766 41.305 42.059 0.019 0.000 1.106 98 L HN 0.288 nan 8.230 nan 0.000 0.479 99 P HA 0.002 nan 4.420 nan 0.000 0.266 99 P C -0.750 176.546 177.300 -0.006 0.000 1.193 99 P CA -0.274 62.865 63.100 0.065 0.000 0.770 99 P CB 0.250 32.034 31.700 0.141 0.000 0.836 100 V N 3.713 123.593 119.914 -0.057 0.000 2.673 100 V HA -0.061 4.036 4.120 -0.039 0.000 0.303 100 V C 0.869 176.962 176.094 -0.001 0.000 1.046 100 V CA 0.432 62.704 62.300 -0.047 0.000 1.126 100 V CB -0.421 31.347 31.823 -0.092 0.000 0.934 100 V HN 0.324 nan 8.190 nan 0.000 0.487 101 L N 3.300 124.492 121.223 -0.052 0.000 2.357 101 L HA 0.316 4.633 4.340 -0.039 0.000 0.273 101 L C 1.541 178.273 176.870 -0.230 0.000 1.080 101 L CA -0.190 54.585 54.840 -0.108 0.000 0.803 101 L CB 1.228 43.211 42.059 -0.127 0.000 1.174 101 L HN 0.786 nan 8.230 nan 0.000 0.443 102 E N 1.584 121.592 120.200 -0.320 0.000 2.110 102 E HA -0.242 4.085 4.350 -0.039 0.000 0.193 102 E C 1.578 177.950 176.600 -0.380 0.000 0.988 102 E CA 1.601 57.635 56.400 -0.610 0.000 0.804 102 E CB 0.203 29.735 29.700 -0.281 0.000 0.745 102 E HN 0.759 nan 8.360 nan 0.000 0.458 103 E N 0.238 120.338 120.200 -0.167 0.000 2.265 103 E HA -0.220 4.107 4.350 -0.039 0.000 0.196 103 E C 1.485 178.094 176.600 0.016 0.000 0.996 103 E CA 1.156 57.527 56.400 -0.048 0.000 0.832 103 E CB -0.109 29.572 29.700 -0.032 0.000 0.756 103 E HN 0.401 nan 8.360 nan 0.000 0.491 104 E N -0.211 120.001 120.200 0.019 0.000 2.371 104 E HA -0.042 4.285 4.350 -0.039 0.000 0.194 104 E C 1.318 178.078 176.600 0.266 0.000 1.012 104 E CA 0.147 56.615 56.400 0.112 0.000 0.860 104 E CB -0.054 29.698 29.700 0.087 0.000 0.811 104 E HN 0.222 nan 8.360 nan 0.000 0.502 105 F N 2.219 122.218 119.950 0.081 0.000 2.091 105 F HA -0.223 4.282 4.527 -0.037 0.000 0.299 105 F C 2.383 178.225 175.800 0.070 0.000 1.103 105 F CA 1.608 59.665 58.000 0.095 0.000 1.228 105 F CB -0.895 38.172 39.000 0.111 0.000 0.984 105 F HN 0.181 nan 8.300 nan 0.000 0.477 106 E N -0.395 119.965 120.200 0.266 0.000 2.285 106 E HA -0.065 4.262 4.350 -0.039 0.000 0.194 106 E C 2.066 178.724 176.600 0.096 0.000 0.997 106 E CA 0.966 57.460 56.400 0.156 0.000 0.845 106 E CB -0.675 29.102 29.700 0.129 0.000 0.782 106 E HN 0.211 nan 8.360 nan 0.000 0.491 107 V N 1.593 121.563 119.914 0.094 0.000 2.407 107 V HA -0.237 3.859 4.120 -0.039 0.000 0.248 107 V C 2.462 178.560 176.094 0.008 0.000 1.055 107 V CA 1.416 63.746 62.300 0.049 0.000 1.049 107 V CB -0.149 31.707 31.823 0.054 0.000 0.662 107 V HN 0.203 nan 8.190 nan 0.000 0.455 108 V N -0.033 119.888 119.914 0.011 0.000 2.255 108 V HA -0.336 3.761 4.120 -0.039 0.000 0.247 108 V C 2.419 178.433 176.094 -0.135 0.000 1.051 108 V CA 2.506 64.771 62.300 -0.059 0.000 1.018 108 V CB -0.644 31.162 31.823 -0.028 0.000 0.641 108 V HN 0.670 nan 8.190 nan 0.000 0.445 109 E N -0.222 119.934 120.200 -0.074 0.000 2.058 109 E HA -0.295 4.032 4.350 -0.039 0.000 0.194 109 E C 2.317 178.869 176.600 -0.079 0.000 0.997 109 E CA 1.743 58.094 56.400 -0.081 0.000 0.801 109 E CB -0.133 29.574 29.700 0.011 0.000 0.746 109 E HN 0.679 nan 8.360 nan 0.000 0.450 110 Q N 0.180 119.961 119.800 -0.032 0.000 2.077 110 Q HA -0.198 4.119 4.340 -0.039 0.000 0.206 110 Q C 2.462 178.437 176.000 -0.042 0.000 0.989 110 Q CA 1.754 57.548 55.803 -0.015 0.000 0.853 110 Q CB -0.138 28.605 28.738 0.009 0.000 0.907 110 Q HN 0.374 nan 8.270 nan 0.000 0.418 111 L N 0.128 121.308 121.223 -0.071 0.000 2.017 111 L HA -0.212 4.105 4.340 -0.039 0.000 0.208 111 L C 2.318 179.105 176.870 -0.139 0.000 1.073 111 L CA 0.975 55.764 54.840 -0.085 0.000 0.745 111 L CB -0.405 41.600 42.059 -0.090 0.000 0.894 111 L HN 0.275 nan 8.230 nan 0.000 0.432 112 L N -0.462 120.595 121.223 -0.277 0.000 2.191 112 L HA -0.182 4.135 4.340 -0.039 0.000 0.212 112 L C 2.838 179.575 176.870 -0.223 0.000 1.103 112 L CA 0.863 55.400 54.840 -0.505 0.000 0.769 112 L CB -0.711 40.598 42.059 -1.250 0.000 0.908 112 L HN 0.250 nan 8.230 nan 0.000 0.438 113 A N 0.034 122.815 122.820 -0.065 0.000 1.940 113 A HA -0.209 4.088 4.320 -0.039 0.000 0.219 113 A C 2.173 179.821 177.584 0.107 0.000 1.176 113 A CA 2.220 54.317 52.037 0.099 0.000 0.631 113 A CB -0.795 18.246 19.000 0.069 0.000 0.814 113 A HN 0.499 nan 8.150 nan 0.000 0.446 114 T N -2.777 111.808 114.554 0.052 0.000 3.186 114 T HA 0.277 4.604 4.350 -0.039 0.000 0.257 114 T C -0.154 174.578 174.700 0.053 0.000 1.029 114 T CA 0.223 62.354 62.100 0.051 0.000 0.916 114 T CB -0.413 68.472 68.868 0.028 0.000 1.041 114 T HN 0.327 nan 8.240 nan 0.000 0.562 115 D N 0.935 121.381 120.400 0.075 0.000 2.280 115 D HA 0.238 4.855 4.640 -0.039 0.000 0.243 115 D C 1.104 177.477 176.300 0.123 0.000 1.129 115 D CA -0.473 53.575 54.000 0.080 0.000 0.848 115 D CB 1.203 42.042 40.800 0.064 0.000 1.107 115 D HN 0.193 nan 8.370 nan 0.000 0.471 116 E N 2.262 122.508 120.200 0.076 0.000 2.118 116 E HA -0.233 4.094 4.350 -0.039 0.000 0.195 116 E C 1.648 178.290 176.600 0.071 0.000 0.992 116 E CA 1.026 57.463 56.400 0.062 0.000 0.804 116 E CB 0.179 29.900 29.700 0.035 0.000 0.741 116 E HN 0.475 nan 8.360 nan 0.000 0.458 117 R N -0.050 120.500 120.500 0.084 0.000 2.092 117 R HA -0.092 4.225 4.340 -0.039 0.000 0.231 117 R C 2.160 178.537 176.300 0.127 0.000 1.119 117 R CA 1.152 57.299 56.100 0.078 0.000 0.970 117 R CB -0.266 30.072 30.300 0.064 0.000 0.864 117 R HN 0.394 nan 8.270 nan 0.000 0.440 118 W N 1.445 122.725 121.300 -0.034 0.000 2.408 118 W HA -0.098 4.557 4.660 -0.009 0.000 0.311 118 W C 1.470 177.976 176.519 -0.023 0.000 1.190 118 W CA 1.099 58.425 57.345 -0.031 0.000 1.321 118 W CB -0.173 29.272 29.460 -0.025 0.000 1.143 118 W HN 0.048 nan 8.180 nan 0.000 0.501 119 L N 0.960 122.270 121.223 0.145 0.000 2.081 119 L HA -0.292 4.025 4.340 -0.039 0.000 0.212 119 L C 2.635 179.471 176.870 -0.055 0.000 1.080 119 L CA 1.820 56.674 54.840 0.023 0.000 0.754 119 L CB -0.894 41.206 42.059 0.069 0.000 0.893 119 L HN -0.037 nan 8.230 nan 0.000 0.433 120 K N 0.117 120.496 120.400 -0.035 0.000 2.097 120 K HA -0.154 4.143 4.320 -0.039 0.000 0.205 120 K C 2.164 178.700 176.600 -0.106 0.000 1.050 120 K CA 1.143 57.398 56.287 -0.054 0.000 0.938 120 K CB -0.031 32.452 32.500 -0.028 0.000 0.718 120 K HN 0.270 nan 8.250 nan 0.000 0.442 121 A N 1.350 124.074 122.820 -0.161 0.000 1.902 121 A HA -0.125 4.172 4.320 -0.039 0.000 0.217 121 A C 2.076 179.490 177.584 -0.283 0.000 1.181 121 A CA 1.222 53.118 52.037 -0.235 0.000 0.623 121 A CB -0.545 18.253 19.000 -0.336 0.000 0.818 121 A HN 0.293 nan 8.150 nan 0.000 0.443 122 L N -1.032 119.978 121.223 -0.355 0.000 2.109 122 L HA -0.132 4.185 4.340 -0.039 0.000 0.207 122 L C 3.081 179.849 176.870 -0.170 0.000 1.086 122 L CA 0.961 55.617 54.840 -0.307 0.000 0.760 122 L CB -0.630 41.231 42.059 -0.330 0.000 0.910 122 L HN 0.444 nan 8.230 nan 0.000 0.437 123 A N 0.295 123.038 122.820 -0.128 0.000 1.933 123 A HA -0.140 4.157 4.320 -0.039 0.000 0.218 123 A C 2.479 180.017 177.584 -0.078 0.000 1.175 123 A CA 1.578 53.566 52.037 -0.082 0.000 0.628 123 A CB -0.558 18.407 19.000 -0.058 0.000 0.814 123 A HN 0.393 nan 8.150 nan 0.000 0.444 124 A N -0.574 122.192 122.820 -0.091 0.000 2.121 124 A HA -0.074 4.223 4.320 -0.039 0.000 0.218 124 A C 2.032 179.571 177.584 -0.076 0.000 1.154 124 A CA 1.342 53.333 52.037 -0.077 0.000 0.679 124 A CB -0.270 18.681 19.000 -0.080 0.000 0.795 124 A HN 0.547 nan 8.150 nan 0.000 0.458 125 R N -0.906 119.540 120.500 -0.090 0.000 2.472 125 R HA 0.131 4.448 4.340 -0.039 0.000 0.279 125 R C -0.345 175.913 176.300 -0.070 0.000 0.953 125 R CA 0.056 56.108 56.100 -0.080 0.000 1.088 125 R CB 0.284 30.524 30.300 -0.100 0.000 1.197 125 R HN 0.419 nan 8.270 nan 0.000 0.536 126 N N 1.048 119.708 118.700 -0.067 0.000 2.740 126 N HA -0.181 4.535 4.740 -0.039 0.000 0.248 126 N C -0.991 174.485 175.510 -0.056 0.000 1.062 126 N CA 0.950 53.968 53.050 -0.053 0.000 0.704 126 N CB -1.364 37.099 38.487 -0.040 0.000 0.968 126 N HN 0.288 nan 8.380 nan 0.000 0.547 127 L N 0.226 121.405 121.223 -0.073 0.000 2.307 127 L HA 0.342 4.658 4.340 -0.039 0.000 0.284 127 L C 0.620 177.457 176.870 -0.055 0.000 1.023 127 L CA -0.872 53.925 54.840 -0.072 0.000 0.810 127 L CB 1.488 43.486 42.059 -0.101 0.000 1.231 127 L HN -0.074 nan 8.230 nan 0.000 0.423 128 D N 2.144 122.523 120.400 -0.034 0.000 2.317 128 D HA 0.014 4.631 4.640 -0.039 0.000 0.252 128 D C 0.769 177.071 176.300 0.003 0.000 1.174 128 D CA -0.021 53.972 54.000 -0.013 0.000 0.866 128 D CB 1.916 42.714 40.800 -0.004 0.000 1.127 128 D HN 0.279 nan 8.370 nan 0.000 0.467 129 V N 3.997 123.924 119.914 0.020 0.000 2.453 129 V HA -0.258 3.838 4.120 -0.039 0.000 0.252 129 V C 2.101 178.240 176.094 0.075 0.000 1.068 129 V CA 2.908 65.248 62.300 0.067 0.000 1.070 129 V CB -0.578 31.305 31.823 0.099 0.000 0.664 129 V HN 0.752 nan 8.190 nan 0.000 0.461 130 S N -0.913 114.818 115.700 0.051 0.000 2.469 130 S HA -0.165 4.281 4.470 -0.039 0.000 0.238 130 S C 1.733 176.358 174.600 0.042 0.000 0.998 130 S CA 1.398 59.627 58.200 0.047 0.000 0.957 130 S CB -0.411 62.811 63.200 0.037 0.000 0.764 130 S HN 0.753 nan 8.310 nan 0.000 0.514 131 K N 0.462 120.882 120.400 0.033 0.000 2.358 131 K HA 0.315 4.612 4.320 -0.039 0.000 0.200 131 K C -0.742 175.873 176.600 0.024 0.000 1.030 131 K CA -0.069 56.228 56.287 0.018 0.000 1.097 131 K CB 1.008 33.509 32.500 0.001 0.000 0.862 131 K HN 0.193 nan 8.250 nan 0.000 0.534 132 V N 3.532 123.481 119.914 0.059 0.000 2.318 132 V HA 0.193 4.290 4.120 -0.039 0.000 0.271 132 V C 0.126 176.295 176.094 0.125 0.000 1.030 132 V CA -0.752 61.602 62.300 0.091 0.000 0.844 132 V CB 0.661 32.556 31.823 0.121 0.000 1.015 132 V HN 0.169 nan 8.190 nan 0.000 0.460 133 R N 3.307 123.860 120.500 0.089 0.000 2.490 133 R HA 0.571 4.887 4.340 -0.039 0.000 0.278 133 R C -0.716 175.681 176.300 0.161 0.000 1.069 133 R CA -0.374 55.771 56.100 0.075 0.000 1.080 133 R CB 1.618 31.897 30.300 -0.034 0.000 1.030 133 R HN 0.427 nan 8.270 nan 0.000 0.491 134 V N 1.655 121.652 119.914 0.139 0.000 2.483 134 V HA 0.371 4.468 4.120 -0.039 0.000 0.297 134 V C -0.031 176.155 176.094 0.154 0.000 1.027 134 V CA -1.203 61.207 62.300 0.182 0.000 0.855 134 V CB 1.730 33.606 31.823 0.089 0.000 0.995 134 V HN 0.861 nan 8.190 nan 0.000 0.424 135 A N 7.542 130.518 122.820 0.261 0.000 2.404 135 A HA 0.643 4.940 4.320 -0.039 0.000 0.273 135 A C -2.253 175.449 177.584 0.197 0.000 1.144 135 A CA -1.230 50.948 52.037 0.235 0.000 0.806 135 A CB 0.117 19.393 19.000 0.461 0.000 1.080 135 A HN 0.583 nan 8.150 nan 0.000 0.509 136 P HA 0.344 nan 4.420 nan 0.000 0.283 136 P C -0.845 176.548 177.300 0.155 0.000 1.412 136 P CA 0.154 63.304 63.100 0.083 0.000 0.912 136 P CB 0.429 32.149 31.700 0.033 0.000 1.132 137 L N 2.327 123.719 121.223 0.283 0.000 2.334 137 L HA 0.407 4.724 4.340 -0.039 0.000 0.275 137 L C 1.134 178.264 176.870 0.433 0.000 1.036 137 L CA -0.887 54.244 54.840 0.486 0.000 0.807 137 L CB 1.481 44.000 42.059 0.767 0.000 1.231 137 L HN 0.296 nan 8.230 nan 0.000 0.438 138 S N 0.693 116.738 115.700 0.574 0.000 2.568 138 S HA 0.231 4.678 4.470 -0.039 0.000 0.282 138 S C 0.791 175.590 174.600 0.331 0.000 1.338 138 S CA -0.119 58.303 58.200 0.371 0.000 1.045 138 S CB 1.496 64.950 63.200 0.423 0.000 0.873 138 S HN 0.732 nan 8.310 nan 0.000 0.516 139 A N 2.851 125.769 122.820 0.163 0.000 2.030 139 A HA 0.548 4.845 4.320 -0.039 0.000 0.215 139 A C 1.601 179.342 177.584 0.262 0.000 1.164 139 A CA 0.644 52.718 52.037 0.061 0.000 0.697 139 A CB -1.522 17.438 19.000 -0.067 0.000 0.827 139 A HN 2.188 nan 8.150 nan 0.000 0.457 140 G N -1.446 107.509 108.800 0.258 0.000 2.575 140 G HA2 -0.115 3.822 3.960 -0.039 0.000 0.267 140 G HA3 -0.115 3.822 3.960 -0.039 0.000 0.267 140 G C -0.258 174.691 174.900 0.083 0.000 1.264 140 G CA 0.016 45.247 45.100 0.220 0.000 0.935 140 G HN 1.157 nan 8.290 nan 0.000 0.568 141 V N 0.721 120.520 119.914 -0.193 0.000 2.524 141 V HA 0.733 4.829 4.120 -0.039 0.000 0.297 141 V C -0.295 175.382 176.094 -0.696 0.000 1.035 141 V CA -0.316 61.824 62.300 -0.266 0.000 0.867 141 V CB 1.168 32.845 31.823 -0.243 0.000 1.004 141 V HN 0.720 nan 8.190 nan 0.000 0.426 142 F N 1.769 121.684 119.950 -0.059 0.000 3.479 142 F HA 0.450 4.956 4.527 -0.036 0.000 0.267 142 F C 1.133 176.784 175.800 -0.248 0.000 1.542 142 F CA -0.724 57.188 58.000 -0.146 0.000 0.975 142 F CB 0.552 39.458 39.000 -0.157 0.000 1.778 142 F HN 0.342 nan 8.300 nan 0.000 0.387 143 E N -0.563 119.473 120.200 -0.273 0.000 2.479 143 E HA 0.054 4.381 4.350 -0.039 0.000 0.193 143 E C -1.200 175.244 176.600 -0.259 0.000 1.049 143 E CA 0.243 56.470 56.400 -0.288 0.000 0.870 143 E CB -0.356 29.175 29.700 -0.281 0.000 0.944 143 E HN 0.270 nan 8.360 nan 0.000 0.492 144 Y N 0.384 120.731 120.300 0.078 0.000 2.650 144 Y HA 0.407 4.934 4.550 -0.038 0.000 0.343 144 Y C 1.414 177.333 175.900 0.031 0.000 1.078 144 Y CA -0.881 57.252 58.100 0.055 0.000 1.356 144 Y CB 0.116 38.602 38.460 0.043 0.000 1.204 144 Y HN 0.008 nan 8.280 nan 0.000 0.508 145 A N 2.300 125.202 122.820 0.136 0.000 1.978 145 A HA -0.223 4.074 4.320 -0.039 0.000 0.220 145 A C 2.219 179.847 177.584 0.073 0.000 1.170 145 A CA 1.834 53.916 52.037 0.076 0.000 0.636 145 A CB -0.277 18.754 19.000 0.053 0.000 0.810 145 A HN 0.738 nan 8.150 nan 0.000 0.448 146 E N 0.761 121.016 120.200 0.091 0.000 2.265 146 E HA -0.232 4.095 4.350 -0.039 0.000 0.196 146 E C 1.302 177.932 176.600 0.050 0.000 0.996 146 E CA 1.509 57.946 56.400 0.062 0.000 0.832 146 E CB -0.540 29.195 29.700 0.059 0.000 0.756 146 E HN 0.777 nan 8.360 nan 0.000 0.491 147 E N 0.808 121.050 120.200 0.070 0.000 2.208 147 E HA -0.022 4.305 4.350 -0.039 0.000 0.193 147 E C 0.350 176.964 176.600 0.023 0.000 0.988 147 E CA 0.033 56.460 56.400 0.044 0.000 0.828 147 E CB -0.032 29.708 29.700 0.066 0.000 0.763 147 E HN 0.229 nan 8.360 nan 0.000 0.478 148 R N 0.424 120.939 120.500 0.024 0.000 2.446 148 R HA 0.111 4.428 4.340 -0.039 0.000 0.314 148 R C 0.882 177.178 176.300 -0.007 0.000 1.003 148 R CA 0.656 56.759 56.100 0.005 0.000 1.018 148 R CB 0.188 30.491 30.300 0.004 0.000 0.945 148 R HN 0.289 nan 8.270 nan 0.000 0.419 149 G N 2.308 111.096 108.800 -0.020 0.000 2.199 149 G HA2 -0.249 3.688 3.960 -0.039 0.000 0.254 149 G HA3 -0.249 3.688 3.960 -0.039 0.000 0.254 149 G C -0.005 174.881 174.900 -0.024 0.000 0.982 149 G CA -0.298 44.784 45.100 -0.031 0.000 0.632 149 G HN 0.453 nan 8.290 nan 0.000 0.529 150 R N 0.117 120.609 120.500 -0.013 0.000 2.604 150 R HA 0.568 4.885 4.340 -0.039 0.000 0.287 150 R C 0.152 176.445 176.300 -0.011 0.000 0.970 150 R CA -1.007 55.090 56.100 -0.007 0.000 0.946 150 R CB 0.738 31.038 30.300 -0.000 0.000 1.127 150 R HN 0.272 nan 8.270 nan 0.000 0.473 151 R N 2.068 122.565 120.500 -0.005 0.000 2.272 151 R HA 0.299 4.616 4.340 -0.039 0.000 0.334 151 R C -0.053 176.238 176.300 -0.015 0.000 1.117 151 R CA -0.089 56.001 56.100 -0.017 0.000 0.966 151 R CB 0.274 30.562 30.300 -0.020 0.000 1.049 151 R HN 0.304 nan 8.270 nan 0.000 0.477 152 I N 4.735 125.290 120.570 -0.024 0.000 2.460 152 I HA 0.392 4.539 4.170 -0.039 0.000 0.298 152 I C 0.129 176.225 176.117 -0.034 0.000 0.989 152 I CA -0.744 60.535 61.300 -0.036 0.000 1.173 152 I CB 1.589 39.550 38.000 -0.066 0.000 1.338 152 I HN 0.455 nan 8.210 nan 0.000 0.456 153 L N 5.397 126.601 121.223 -0.032 0.000 2.370 153 L HA 0.558 4.875 4.340 -0.039 0.000 0.266 153 L C -0.115 176.717 176.870 -0.064 0.000 1.002 153 L CA -0.860 53.971 54.840 -0.014 0.000 0.818 153 L CB 2.413 44.496 42.059 0.040 0.000 1.325 153 L HN 0.505 nan 8.230 nan 0.000 0.418 154 R N 0.644 121.077 120.500 -0.111 0.000 2.540 154 R HA 0.640 4.957 4.340 -0.039 0.000 0.287 154 R C -0.156 176.158 176.300 0.022 0.000 0.980 154 R CA -0.735 55.260 56.100 -0.174 0.000 0.966 154 R CB 1.718 31.570 30.300 -0.746 0.000 1.106 154 R HN 0.751 nan 8.270 nan 0.000 0.480 155 G N 2.531 111.367 108.800 0.061 0.000 2.416 155 G HA2 0.576 4.513 3.960 -0.039 0.000 0.324 155 G HA3 0.576 4.513 3.960 -0.039 0.000 0.324 155 G C -0.789 174.287 174.900 0.294 0.000 1.194 155 G CA -0.605 44.573 45.100 0.130 0.000 0.922 155 G HN 0.288 nan 8.290 nan 0.000 0.467 156 L N 1.460 122.923 121.223 0.400 0.000 2.365 156 L HA 0.718 5.034 4.340 -0.039 0.000 0.273 156 L C 0.415 177.439 176.870 0.256 0.000 1.000 156 L CA -1.022 54.041 54.840 0.371 0.000 0.819 156 L CB 2.304 44.660 42.059 0.496 0.000 1.284 156 L HN 0.617 nan 8.230 nan 0.000 0.418 157 A N 2.769 125.599 122.820 0.016 0.000 2.306 157 A HA 0.855 5.152 4.320 -0.039 0.000 0.314 157 A C -1.222 176.057 177.584 -0.509 0.000 1.164 157 A CA -0.186 51.851 52.037 0.000 0.000 0.822 157 A CB 0.433 19.485 19.000 0.088 0.000 1.130 157 A HN 0.485 nan 8.150 nan 0.000 0.496 158 F N 1.049 120.981 119.950 -0.030 0.000 2.569 158 F HA 0.443 4.949 4.527 -0.034 0.000 0.312 158 F C -0.097 175.656 175.800 -0.077 0.000 1.109 158 F CA -0.746 57.190 58.000 -0.107 0.000 0.919 158 F CB 2.243 41.060 39.000 -0.304 0.000 1.211 158 F HN 0.305 nan 8.300 nan 0.000 0.446 159 V N 2.740 122.725 119.914 0.117 0.000 2.461 159 V HA 0.283 4.379 4.120 -0.039 0.000 0.275 159 V C -0.261 175.874 176.094 0.069 0.000 1.047 159 V CA -0.528 61.804 62.300 0.053 0.000 0.955 159 V CB 1.270 33.081 31.823 -0.020 0.000 0.988 159 V HN 0.755 nan 8.190 nan 0.000 0.471 160 Q N 2.709 122.501 119.800 -0.014 0.000 2.368 160 Q HA 0.239 4.555 4.340 -0.039 0.000 0.263 160 Q C -0.000 175.932 176.000 -0.113 0.000 1.009 160 Q CA -0.643 55.112 55.803 -0.078 0.000 0.818 160 Q CB 1.318 29.989 28.738 -0.112 0.000 1.239 160 Q HN 0.759 nan 8.270 nan 0.000 0.464 161 D N 3.408 123.699 120.400 -0.181 0.000 2.219 161 D HA -0.011 4.606 4.640 -0.039 0.000 0.205 161 D C 0.053 176.408 176.300 0.091 0.000 0.970 161 D CA 1.235 55.193 54.000 -0.070 0.000 0.851 161 D CB 0.145 40.955 40.800 0.016 0.000 0.943 161 D HN 0.433 nan 8.370 nan 0.000 0.488 162 F N -4.475 115.471 119.950 -0.006 0.000 2.741 162 F HA 0.384 4.885 4.527 -0.044 0.000 0.313 162 F C -2.470 173.325 175.800 -0.009 0.000 1.153 162 F CA -2.005 55.988 58.000 -0.012 0.000 0.931 162 F CB 0.584 39.571 39.000 -0.022 0.000 1.335 162 F HN -0.431 nan 8.300 nan 0.000 0.460 163 P HA -0.125 nan 4.420 nan 0.000 0.219 163 P C 0.474 177.787 177.300 0.021 0.000 1.146 163 P CA 1.805 64.948 63.100 0.072 0.000 0.808 163 P CB 0.080 31.838 31.700 0.097 0.000 0.779 164 E N -1.142 119.105 120.200 0.078 0.000 2.558 164 E HA 0.118 4.445 4.350 -0.039 0.000 0.205 164 E C -0.305 176.188 176.600 -0.179 0.000 1.006 164 E CA -0.187 56.227 56.400 0.023 0.000 0.961 164 E CB -0.447 29.331 29.700 0.130 0.000 1.044 164 E HN 0.127 nan 8.360 nan 0.000 0.465 165 D N 1.233 121.271 120.400 -0.602 0.000 2.339 165 D HA 0.050 4.666 4.640 -0.039 0.000 0.245 165 D C -0.733 175.374 176.300 -0.323 0.000 1.115 165 D CA -0.183 53.377 54.000 -0.734 0.000 0.917 165 D CB 1.438 41.562 40.800 -1.128 0.000 1.192 165 D HN -0.058 nan 8.370 nan 0.000 0.428 166 S N 1.923 117.499 115.700 -0.207 0.000 2.411 166 S HA 0.426 4.873 4.470 -0.039 0.000 0.304 166 S C 1.008 175.532 174.600 -0.127 0.000 1.098 166 S CA -0.235 57.910 58.200 -0.092 0.000 1.068 166 S CB 0.281 63.486 63.200 0.009 0.000 1.032 166 S HN 0.501 nan 8.310 nan 0.000 0.511 167 A N 4.963 127.590 122.820 -0.321 0.000 2.019 167 A HA -0.039 4.258 4.320 -0.039 0.000 0.219 167 A C 1.444 178.882 177.584 -0.243 0.000 1.164 167 A CA 0.973 52.832 52.037 -0.297 0.000 0.644 167 A CB -0.722 18.001 19.000 -0.463 0.000 0.805 167 A HN 0.991 nan 8.150 nan 0.000 0.449 168 W N -0.103 121.165 121.300 -0.054 0.000 2.364 168 W HA -0.028 4.613 4.660 -0.031 0.000 0.281 168 W C 2.481 179.098 176.519 0.163 0.000 1.219 168 W CA 0.824 58.135 57.345 -0.057 0.000 1.220 168 W CB -0.253 29.181 29.460 -0.044 0.000 1.127 168 W HN 0.360 nan 8.180 nan 0.000 0.556 169 A N -0.441 122.561 122.820 0.302 0.000 2.070 169 A HA -0.133 4.164 4.320 -0.039 0.000 0.220 169 A C 0.712 178.152 177.584 -0.241 0.000 1.159 169 A CA 1.125 53.202 52.037 0.067 0.000 0.656 169 A CB -0.670 18.223 19.000 -0.179 0.000 0.800 169 A HN 0.367 nan 8.150 nan 0.000 0.453 170 H N -0.717 118.473 119.070 0.200 0.000 2.386 170 H HA 0.255 4.799 4.556 -0.019 0.000 0.232 170 H C -2.902 172.462 175.328 0.061 0.000 1.416 170 H CA -2.386 53.723 56.048 0.101 0.000 1.285 170 H CB -0.287 29.512 29.762 0.061 0.000 1.625 170 H HN 0.361 nan 8.280 nan 0.000 0.521 171 P HA 0.008 nan 4.420 nan 0.000 0.271 171 P C 0.320 177.462 177.300 -0.263 0.000 1.218 171 P CA -0.259 62.675 63.100 -0.278 0.000 0.780 171 P CB 1.892 33.468 31.700 -0.206 0.000 0.901 172 V N 3.366 123.042 119.914 -0.397 0.000 2.259 172 V HA 0.166 4.262 4.120 -0.039 0.000 0.267 172 V C 0.626 176.585 176.094 -0.225 0.000 1.051 172 V CA -0.260 61.897 62.300 -0.239 0.000 0.830 172 V CB 0.288 31.977 31.823 -0.223 0.000 1.080 172 V HN 0.523 nan 8.190 nan 0.000 0.467 173 D N 3.087 123.372 120.400 -0.192 0.000 2.383 173 D HA 0.464 5.081 4.640 -0.039 0.000 0.248 173 D C 1.278 177.540 176.300 -0.063 0.000 1.170 173 D CA 1.186 55.019 54.000 -0.278 0.000 0.977 173 D CB 1.826 42.227 40.800 -0.666 0.000 1.120 173 D HN 0.719 nan 8.370 nan 0.000 0.481 174 G N 0.208 108.979 108.800 -0.048 0.000 2.162 174 G HA2 -0.216 3.721 3.960 -0.039 0.000 0.260 174 G HA3 -0.216 3.721 3.960 -0.039 0.000 0.260 174 G C -0.109 174.839 174.900 0.080 0.000 0.976 174 G CA 0.620 45.833 45.100 0.189 0.000 0.655 174 G HN 0.502 nan 8.290 nan 0.000 0.533 175 L N 0.042 121.282 121.223 0.027 0.000 2.438 175 L HA 0.906 5.223 4.340 -0.039 0.000 0.270 175 L C -0.682 176.258 176.870 0.117 0.000 0.972 175 L CA -1.018 53.833 54.840 0.019 0.000 0.831 175 L CB 2.331 44.323 42.059 -0.111 0.000 1.273 175 L HN 0.671 nan 8.230 nan 0.000 0.405 176 V N 4.060 124.067 119.914 0.155 0.000 3.048 176 V HA 0.989 5.085 4.120 -0.039 0.000 0.303 176 V C -1.363 174.775 176.094 0.074 0.000 1.214 176 V CA 0.315 62.743 62.300 0.215 0.000 0.984 176 V CB 2.134 34.133 31.823 0.294 0.000 1.054 176 V HN 1.201 nan 8.190 nan 0.000 0.430 177 A N 4.635 127.495 122.820 0.065 0.000 2.454 177 A HA 0.963 5.260 4.320 -0.039 0.000 0.302 177 A C -2.056 175.511 177.584 -0.030 0.000 1.079 177 A CA -0.471 51.496 52.037 -0.116 0.000 0.731 177 A CB 1.745 20.654 19.000 -0.153 0.000 1.299 177 A HN 0.865 nan 8.150 nan 0.000 0.413 178 Y N 0.319 120.496 120.300 -0.205 0.000 2.364 178 Y HA 0.622 5.150 4.550 -0.037 0.000 0.340 178 Y C -0.171 175.620 175.900 -0.182 0.000 0.975 178 Y CA -1.638 56.317 58.100 -0.241 0.000 1.089 178 Y CB 1.716 39.989 38.460 -0.311 0.000 1.192 178 Y HN 0.385 nan 8.280 nan 0.000 0.454 179 V N 2.770 122.683 119.914 -0.003 0.000 2.709 179 V HA 0.273 4.370 4.120 -0.039 0.000 0.308 179 V C -0.744 175.335 176.094 -0.024 0.000 1.062 179 V CA -1.093 61.185 62.300 -0.037 0.000 0.901 179 V CB 2.464 34.245 31.823 -0.070 0.000 1.003 179 V HN 0.656 nan 8.190 nan 0.000 0.425 180 D N 2.825 123.214 120.400 -0.018 0.000 2.380 180 D HA 0.192 4.809 4.640 -0.039 0.000 0.230 180 D C 0.940 177.241 176.300 0.002 0.000 1.154 180 D CA -0.206 53.790 54.000 -0.007 0.000 0.859 180 D CB 1.954 42.752 40.800 -0.003 0.000 1.045 180 D HN 0.459 nan 8.370 nan 0.000 0.495 181 V N 2.141 122.061 119.914 0.009 0.000 3.380 181 V HA -0.042 4.055 4.120 -0.039 0.000 0.268 181 V C 1.565 177.686 176.094 0.045 0.000 1.168 181 V CA 0.345 62.659 62.300 0.023 0.000 1.156 181 V CB -0.248 31.590 31.823 0.025 0.000 0.785 181 V HN 0.370 nan 8.190 nan 0.000 0.487 182 V N 1.290 121.236 119.914 0.052 0.000 2.521 182 V HA -0.043 4.053 4.120 -0.039 0.000 0.239 182 V C 2.776 178.895 176.094 0.042 0.000 1.053 182 V CA 1.739 64.084 62.300 0.075 0.000 1.073 182 V CB -0.050 31.830 31.823 0.096 0.000 0.746 182 V HN 0.685 nan 8.190 nan 0.000 0.476 183 S N -0.799 114.916 115.700 0.026 0.000 2.515 183 S HA -0.094 4.352 4.470 -0.039 0.000 0.231 183 S C 0.869 175.476 174.600 0.011 0.000 0.987 183 S CA 0.248 58.457 58.200 0.015 0.000 0.936 183 S CB -0.297 62.908 63.200 0.009 0.000 0.766 183 S HN 0.509 nan 8.310 nan 0.000 0.528 184 K N 0.961 121.368 120.400 0.012 0.000 3.239 184 K HA -0.129 4.168 4.320 -0.039 0.000 0.270 184 K C -0.907 175.689 176.600 -0.006 0.000 1.049 184 K CA 0.911 57.201 56.287 0.005 0.000 0.769 184 K CB -2.277 30.229 32.500 0.010 0.000 1.305 184 K HN 0.754 nan 8.250 nan 0.000 0.469 185 E N -0.455 119.738 120.200 -0.011 0.000 2.277 185 E HA 0.470 4.797 4.350 -0.039 0.000 0.266 185 E C -0.400 176.181 176.600 -0.032 0.000 0.901 185 E CA -1.116 55.273 56.400 -0.018 0.000 0.782 185 E CB 2.193 31.886 29.700 -0.011 0.000 1.228 185 E HN -0.032 nan 8.360 nan 0.000 0.424 186 V N 2.358 122.247 119.914 -0.042 0.000 2.385 186 V HA 0.035 4.132 4.120 -0.039 0.000 0.269 186 V C 1.270 177.338 176.094 -0.043 0.000 1.043 186 V CA 0.167 62.432 62.300 -0.059 0.000 0.906 186 V CB 0.820 32.596 31.823 -0.078 0.000 0.995 186 V HN 0.974 nan 8.190 nan 0.000 0.467 187 T N 2.518 117.050 114.554 -0.036 0.000 2.978 187 T HA 0.161 4.488 4.350 -0.039 0.000 0.262 187 T C 0.796 175.459 174.700 -0.062 0.000 1.063 187 T CA 0.360 62.443 62.100 -0.029 0.000 1.140 187 T CB 0.375 69.241 68.868 -0.004 0.000 0.886 187 T HN 0.492 nan 8.240 nan 0.000 0.470 188 R N -0.643 119.787 120.500 -0.117 0.000 2.663 188 R HA 0.602 4.919 4.340 -0.039 0.000 0.267 188 R C -2.473 173.654 176.300 -0.287 0.000 1.038 188 R CA -0.637 55.324 56.100 -0.232 0.000 0.886 188 R CB 2.470 32.544 30.300 -0.376 0.000 1.249 188 R HN 0.099 nan 8.270 nan 0.000 0.463 189 V N 4.784 124.567 119.914 -0.219 0.000 2.524 189 V HA 0.464 4.561 4.120 -0.039 0.000 0.297 189 V C -0.529 175.484 176.094 -0.135 0.000 1.035 189 V CA -0.585 61.648 62.300 -0.113 0.000 0.867 189 V CB 1.797 33.654 31.823 0.057 0.000 1.004 189 V HN 0.576 nan 8.190 nan 0.000 0.426 190 I N 3.913 124.386 120.570 -0.162 0.000 2.362 190 I HA 0.496 4.643 4.170 -0.039 0.000 0.289 190 I C -0.873 175.226 176.117 -0.031 0.000 0.994 190 I CA -0.224 61.011 61.300 -0.108 0.000 1.158 190 I CB 1.855 39.772 38.000 -0.139 0.000 1.315 190 I HN 0.512 nan 8.210 nan 0.000 0.451 191 D N 4.548 124.936 120.400 -0.020 0.000 2.462 191 D HA 0.161 4.777 4.640 -0.039 0.000 0.245 191 D C 0.807 177.112 176.300 0.007 0.000 1.122 191 D CA -0.336 53.657 54.000 -0.011 0.000 0.864 191 D CB 1.583 42.360 40.800 -0.038 0.000 1.098 191 D HN 0.645 nan 8.370 nan 0.000 0.541 192 T N 0.445 115.024 114.554 0.042 0.000 3.107 192 T HA 0.475 4.802 4.350 -0.039 0.000 0.249 192 T C 0.890 175.608 174.700 0.029 0.000 1.096 192 T CA 0.382 62.513 62.100 0.051 0.000 1.012 192 T CB 0.145 69.071 68.868 0.097 0.000 0.977 192 T HN 0.580 nan 8.240 nan 0.000 0.527 193 G N 0.781 109.592 108.800 0.018 0.000 2.335 193 G HA2 0.304 4.241 3.960 -0.039 0.000 0.592 193 G HA3 0.304 4.241 3.960 -0.039 0.000 0.592 193 G C -0.779 174.099 174.900 -0.037 0.000 1.442 193 G CA -0.593 44.477 45.100 -0.051 0.000 0.976 193 G HN 1.058 nan 8.290 nan 0.000 0.652 194 V N -1.259 118.593 119.914 -0.103 0.000 2.686 194 V HA 0.843 4.940 4.120 -0.039 0.000 0.295 194 V C -0.150 175.860 176.094 -0.140 0.000 1.055 194 V CA -0.587 61.678 62.300 -0.058 0.000 1.050 194 V CB 0.828 32.608 31.823 -0.071 0.000 0.984 194 V HN 0.807 nan 8.190 nan 0.000 0.482 195 F N 3.423 123.335 119.950 -0.062 0.000 2.532 195 F HA 0.707 5.204 4.527 -0.051 0.000 0.321 195 F C -2.015 173.757 175.800 -0.046 0.000 1.089 195 F CA -2.302 55.667 58.000 -0.051 0.000 0.926 195 F CB 1.892 40.861 39.000 -0.053 0.000 1.168 195 F HN 0.427 nan 8.300 nan 0.000 0.459 196 P HA 0.085 nan 4.420 nan 0.000 0.265 196 P C -0.806 176.548 177.300 0.089 0.000 1.193 196 P CA -0.104 63.047 63.100 0.085 0.000 0.765 196 P CB 0.460 32.203 31.700 0.072 0.000 0.823 197 V N 6.261 126.208 119.914 0.054 0.000 2.432 197 V HA 0.198 4.295 4.120 -0.039 0.000 0.271 197 V C -1.833 174.316 176.094 0.091 0.000 1.046 197 V CA -1.479 60.852 62.300 0.052 0.000 0.945 197 V CB 0.585 32.419 31.823 0.019 0.000 0.992 197 V HN 0.567 nan 8.190 nan 0.000 0.471 198 P HA 0.189 nan 4.420 nan 0.000 0.268 198 P C 0.294 177.763 177.300 0.281 0.000 1.205 198 P CA 0.037 63.222 63.100 0.142 0.000 0.771 198 P CB 1.020 32.764 31.700 0.073 0.000 0.858 199 A N 2.685 125.633 122.820 0.215 0.000 2.035 199 A HA 0.047 4.344 4.320 -0.039 0.000 0.208 199 A C 0.708 178.488 177.584 0.327 0.000 1.206 199 A CA 0.302 52.474 52.037 0.226 0.000 0.773 199 A CB -0.419 18.652 19.000 0.119 0.000 0.878 199 A HN 0.576 nan 8.150 nan 0.000 0.469 200 E N 0.911 121.253 120.200 0.237 0.000 2.413 200 E HA 0.234 4.561 4.350 -0.039 0.000 0.263 200 E C -0.315 176.452 176.600 0.278 0.000 1.015 200 E CA 0.005 56.526 56.400 0.201 0.000 0.916 200 E CB 0.304 30.070 29.700 0.111 0.000 0.947 200 E HN 0.759 nan 8.360 nan 0.000 0.440 201 H N -0.740 118.483 119.070 0.255 0.000 2.505 201 H HA 0.479 5.009 4.556 -0.043 0.000 0.355 201 H C 0.424 175.834 175.328 0.137 0.000 1.179 201 H CA -0.855 55.308 56.048 0.191 0.000 1.343 201 H CB 1.162 31.052 29.762 0.215 0.000 1.501 201 H HN 0.496 nan 8.280 nan 0.000 0.569 202 G N 1.527 110.446 108.800 0.198 0.000 4.547 202 G HA2 0.057 3.994 3.960 -0.039 0.000 0.301 202 G HA3 0.057 3.994 3.960 -0.039 0.000 0.301 202 G C -0.665 174.198 174.900 -0.061 0.000 1.240 202 G CA -0.661 44.412 45.100 -0.045 0.000 0.970 202 G HN 0.621 nan 8.290 nan 0.000 0.574 203 N N 1.667 120.486 118.700 0.198 0.000 2.555 203 N HA 0.131 4.848 4.740 -0.039 0.000 0.244 203 N C 0.653 176.085 175.510 -0.130 0.000 1.114 203 N CA -0.438 52.550 53.050 -0.105 0.000 0.963 203 N CB 0.673 39.130 38.487 -0.050 0.000 1.276 203 N HN 0.548 nan 8.380 nan 0.000 0.510 204 Y N -0.564 119.730 120.300 -0.010 0.000 2.578 204 Y HA 0.056 4.584 4.550 -0.038 0.000 0.297 204 Y C 1.716 177.612 175.900 -0.007 0.000 1.176 204 Y CA 0.080 58.156 58.100 -0.040 0.000 1.315 204 Y CB -0.599 37.797 38.460 -0.107 0.000 1.031 204 Y HN 0.254 nan 8.280 nan 0.000 0.524 205 T N -3.917 110.599 114.554 -0.064 0.000 3.069 205 T HA 0.048 4.375 4.350 -0.039 0.000 0.252 205 T C 0.126 174.830 174.700 0.008 0.000 1.053 205 T CA -0.184 61.925 62.100 0.015 0.000 0.964 205 T CB -0.209 68.658 68.868 -0.002 0.000 1.005 205 T HN 0.192 nan 8.240 nan 0.000 0.532 206 D N 2.822 123.228 120.400 0.009 0.000 2.339 206 D HA 0.223 4.840 4.640 -0.039 0.000 0.256 206 D C -1.601 174.732 176.300 0.056 0.000 1.214 206 D CA -2.444 51.572 54.000 0.026 0.000 0.877 206 D CB 1.753 42.572 40.800 0.032 0.000 1.111 206 D HN -0.013 nan 8.370 nan 0.000 0.478 207 P HA -0.153 nan 4.420 nan 0.000 0.218 207 P C 1.021 178.352 177.300 0.053 0.000 1.146 207 P CA 1.813 64.936 63.100 0.038 0.000 0.813 207 P CB 0.197 31.911 31.700 0.022 0.000 0.778 208 E N -0.695 119.548 120.200 0.071 0.000 2.208 208 E HA -0.123 4.204 4.350 -0.039 0.000 0.193 208 E C 1.827 178.490 176.600 0.106 0.000 0.988 208 E CA 1.066 57.520 56.400 0.090 0.000 0.828 208 E CB -1.321 28.446 29.700 0.112 0.000 0.763 208 E HN 0.150 nan 8.360 nan 0.000 0.478 209 L N 0.747 122.051 121.223 0.134 0.000 2.168 209 L HA 0.055 4.372 4.340 -0.039 0.000 0.203 209 L C 2.799 179.707 176.870 0.063 0.000 1.078 209 L CA 2.485 57.382 54.840 0.095 0.000 0.780 209 L CB -0.173 41.960 42.059 0.122 0.000 0.939 209 L HN 0.437 nan 8.230 nan 0.000 0.451 210 T N -2.560 112.034 114.554 0.066 0.000 2.904 210 T HA 0.295 4.621 4.350 -0.039 0.000 0.267 210 T C 1.212 175.935 174.700 0.038 0.000 1.059 210 T CA 0.577 62.707 62.100 0.049 0.000 1.137 210 T CB -0.928 67.971 68.868 0.051 0.000 0.879 210 T HN 0.730 nan 8.240 nan 0.000 0.467 211 G N 2.020 110.843 108.800 0.039 0.000 2.796 211 G HA2 -0.053 3.884 3.960 -0.039 0.000 0.226 211 G HA3 -0.053 3.884 3.960 -0.039 0.000 0.226 211 G C -2.834 172.081 174.900 0.026 0.000 1.381 211 G CA -0.676 44.442 45.100 0.030 0.000 0.867 211 G HN 0.568 nan 8.290 nan 0.000 0.552 212 P HA 0.377 nan 4.420 nan 0.000 0.268 212 P C 0.603 177.913 177.300 0.016 0.000 1.204 212 P CA -0.260 62.851 63.100 0.017 0.000 0.768 212 P CB 0.369 32.078 31.700 0.014 0.000 0.842 213 L N 3.190 124.422 121.223 0.016 0.000 2.467 213 L HA 0.190 4.507 4.340 -0.039 0.000 0.270 213 L C 1.330 178.207 176.870 0.011 0.000 1.205 213 L CA -0.302 54.547 54.840 0.014 0.000 0.828 213 L CB 0.096 42.164 42.059 0.015 0.000 1.101 213 L HN 0.333 nan 8.230 nan 0.000 0.479 214 R N 0.378 120.883 120.500 0.009 0.000 2.537 214 R HA 0.044 4.361 4.340 -0.039 0.000 0.280 214 R C 0.851 177.154 176.300 0.005 0.000 1.058 214 R CA 0.316 56.420 56.100 0.006 0.000 1.057 214 R CB 0.382 30.684 30.300 0.004 0.000 0.973 214 R HN 0.725 nan 8.270 nan 0.000 0.438 215 T N -3.356 111.201 114.554 0.005 0.000 3.054 215 T HA -0.034 4.293 4.350 -0.039 0.000 0.255 215 T C 1.441 176.142 174.700 0.003 0.000 1.035 215 T CA 0.240 62.342 62.100 0.004 0.000 0.941 215 T CB 0.245 69.115 68.868 0.004 0.000 1.026 215 T HN 0.661 nan 8.240 nan 0.000 0.533 216 T N -0.492 114.063 114.554 0.002 0.000 3.088 216 T HA 0.129 4.455 4.350 -0.039 0.000 0.259 216 T C 0.769 175.469 174.700 -0.001 0.000 1.122 216 T CA -0.029 62.072 62.100 0.000 0.000 1.095 216 T CB -0.388 68.480 68.868 -0.000 0.000 0.930 216 T HN 0.422 nan 8.240 nan 0.000 0.508 217 Q N 2.155 121.954 119.800 -0.000 0.000 2.344 217 Q HA 0.250 4.567 4.340 -0.039 0.000 0.253 217 Q C -0.302 175.698 176.000 -0.000 0.000 1.050 217 Q CA -0.298 55.505 55.803 -0.001 0.000 0.912 217 Q CB 0.750 29.487 28.738 -0.001 0.000 1.258 217 Q HN 0.301 nan 8.270 nan 0.000 0.443 218 K N 3.199 123.599 120.400 -0.001 0.000 2.154 218 K HA 0.382 4.679 4.320 -0.039 0.000 0.264 218 K C -1.994 174.606 176.600 0.000 0.000 1.008 218 K CA -1.689 54.598 56.287 -0.000 0.000 0.937 218 K CB 0.080 32.580 32.500 -0.001 0.000 1.002 218 K HN 0.440 nan 8.250 nan 0.000 0.469 219 P HA 0.247 nan 4.420 nan 0.000 0.272 219 P C -0.361 176.941 177.300 0.003 0.000 1.223 219 P CA -0.048 63.054 63.100 0.003 0.000 0.784 219 P CB 0.521 32.223 31.700 0.004 0.000 0.923 220 I N 0.863 121.436 120.570 0.004 0.000 2.389 220 I HA 0.224 4.370 4.170 -0.039 0.000 0.288 220 I C 0.231 176.353 176.117 0.009 0.000 0.999 220 I CA -0.541 60.763 61.300 0.006 0.000 1.129 220 I CB 1.851 39.854 38.000 0.005 0.000 1.288 220 I HN 0.274 nan 8.210 nan 0.000 0.444 221 S N 7.779 123.485 115.700 0.010 0.000 2.498 221 S HA 0.670 5.116 4.470 -0.039 0.000 0.317 221 S C -0.784 173.827 174.600 0.018 0.000 1.090 221 S CA -0.505 57.703 58.200 0.013 0.000 1.089 221 S CB 0.649 63.856 63.200 0.012 0.000 0.997 221 S HN 0.477 nan 8.310 nan 0.000 0.470 222 I N 5.131 125.713 120.570 0.020 0.000 2.390 222 I HA 0.354 4.501 4.170 -0.039 0.000 0.283 222 I C 0.130 176.265 176.117 0.029 0.000 1.016 222 I CA -0.392 60.926 61.300 0.030 0.000 1.151 222 I CB 1.800 39.821 38.000 0.035 0.000 1.293 222 I HN 0.740 nan 8.210 nan 0.000 0.458 223 T N 1.874 116.448 114.554 0.033 0.000 2.916 223 T HA 0.533 4.860 4.350 -0.039 0.000 0.292 223 T C -0.654 174.070 174.700 0.039 0.000 1.064 223 T CA -0.858 61.261 62.100 0.031 0.000 1.011 223 T CB 2.270 71.152 68.868 0.023 0.000 1.152 223 T HN 0.491 nan 8.240 nan 0.000 0.510 224 Q N 1.484 121.305 119.800 0.035 0.000 2.616 224 Q HA 0.265 4.582 4.340 -0.039 0.000 0.250 224 Q C -1.939 174.074 176.000 0.021 0.000 0.991 224 Q CA -2.059 53.765 55.803 0.036 0.000 0.707 224 Q CB 1.994 30.758 28.738 0.043 0.000 1.247 224 Q HN 0.561 nan 8.270 nan 0.000 0.491 225 P HA -0.178 nan 4.420 nan 0.000 0.221 225 P C 0.145 177.449 177.300 0.008 0.000 1.145 225 P CA 1.247 64.355 63.100 0.013 0.000 0.795 225 P CB 0.444 32.152 31.700 0.014 0.000 0.775 226 E N -0.334 119.871 120.200 0.008 0.000 2.465 226 E HA 0.342 4.669 4.350 -0.039 0.000 0.195 226 E C 0.931 177.524 176.600 -0.012 0.000 1.028 226 E CA -0.016 56.384 56.400 0.001 0.000 0.899 226 E CB -0.002 29.701 29.700 0.004 0.000 1.032 226 E HN 0.185 nan 8.360 nan 0.000 0.468 227 G N 2.881 111.672 108.800 -0.015 0.000 2.782 227 G HA2 -0.213 3.724 3.960 -0.039 0.000 0.228 227 G HA3 -0.213 3.724 3.960 -0.039 0.000 0.228 227 G C -2.746 172.120 174.900 -0.057 0.000 1.372 227 G CA -0.839 44.234 45.100 -0.045 0.000 0.862 227 G HN 0.059 nan 8.290 nan 0.000 0.547 228 P HA 0.461 nan 4.420 nan 0.000 0.282 228 P C 0.501 177.721 177.300 -0.133 0.000 1.259 228 P CA -0.100 62.892 63.100 -0.179 0.000 0.826 228 P CB 1.580 32.930 31.700 -0.584 0.000 1.064 229 S N 0.330 116.091 115.700 0.103 0.000 2.562 229 S HA 0.087 4.534 4.470 -0.039 0.000 0.221 229 S C 0.722 175.511 174.600 0.315 0.000 0.975 229 S CA 0.215 58.531 58.200 0.194 0.000 0.918 229 S CB -0.922 62.443 63.200 0.275 0.000 0.772 229 S HN 0.581 nan 8.310 nan 0.000 0.531 230 F N 1.966 122.120 119.950 0.340 0.000 2.399 230 F HA 0.719 5.223 4.527 -0.038 0.000 0.328 230 F C 0.136 176.029 175.800 0.156 0.000 1.084 230 F CA -1.145 57.040 58.000 0.309 0.000 1.053 230 F CB 0.448 39.584 39.000 0.226 0.000 1.209 230 F HN -0.146 nan 8.300 nan 0.000 0.502 231 T N 0.310 115.038 114.554 0.291 0.000 2.823 231 T HA 0.706 5.033 4.350 -0.039 0.000 0.279 231 T C -0.925 173.939 174.700 0.273 0.000 0.998 231 T CA -0.801 61.407 62.100 0.179 0.000 0.994 231 T CB 1.374 70.323 68.868 0.134 0.000 0.960 231 T HN 0.661 nan 8.240 nan 0.000 0.448 232 V N 3.747 123.793 119.914 0.220 0.000 2.370 232 V HA 0.719 4.816 4.120 -0.039 0.000 0.283 232 V C 0.584 176.771 176.094 0.155 0.000 1.023 232 V CA -0.617 61.805 62.300 0.203 0.000 0.857 232 V CB 0.981 32.921 31.823 0.196 0.000 0.985 232 V HN 1.264 nan 8.190 nan 0.000 0.443 233 T N 0.239 114.897 114.554 0.174 0.000 2.906 233 T HA 0.665 4.992 4.350 -0.039 0.000 0.295 233 T C 0.687 175.469 174.700 0.136 0.000 1.061 233 T CA -0.004 62.178 62.100 0.136 0.000 1.000 233 T CB 1.753 70.694 68.868 0.121 0.000 1.103 233 T HN 1.794 nan 8.240 nan 0.000 0.486 234 G N 0.136 108.990 108.800 0.089 0.000 2.225 234 G HA2 0.130 4.067 3.960 -0.039 0.000 0.267 234 G HA3 0.130 4.067 3.960 -0.039 0.000 0.267 234 G C 1.360 176.313 174.900 0.088 0.000 1.024 234 G CA 1.003 46.149 45.100 0.077 0.000 0.784 234 G HN 2.457 nan 8.290 nan 0.000 0.507 235 G N -0.137 108.715 108.800 0.087 0.000 2.550 235 G HA2 -0.267 3.670 3.960 -0.039 0.000 0.233 235 G HA3 -0.267 3.670 3.960 -0.039 0.000 0.233 235 G C 0.890 175.845 174.900 0.092 0.000 1.170 235 G CA 1.297 46.446 45.100 0.081 0.000 0.693 235 G HN 2.258 nan 8.290 nan 0.000 0.512 236 N N -0.182 118.585 118.700 0.111 0.000 2.193 236 N HA 0.180 4.897 4.740 -0.039 0.000 0.236 236 N C -0.325 175.252 175.510 0.112 0.000 1.347 236 N CA 0.381 53.490 53.050 0.098 0.000 0.812 236 N CB -0.310 38.229 38.487 0.087 0.000 1.297 236 N HN 0.591 nan 8.380 nan 0.000 0.499 237 H N 0.699 119.806 119.070 0.062 0.000 2.604 237 H HA 0.547 5.080 4.556 -0.038 0.000 0.306 237 H C -0.800 174.574 175.328 0.077 0.000 1.075 237 H CA -0.209 55.874 56.048 0.058 0.000 1.357 237 H CB 0.570 30.369 29.762 0.061 0.000 1.426 237 H HN 0.004 nan 8.280 nan 0.000 0.470 238 I N 4.799 125.174 120.570 -0.325 0.000 2.412 238 I HA 0.205 4.352 4.170 -0.039 0.000 0.296 238 I C -0.349 175.701 176.117 -0.112 0.000 0.987 238 I CA -0.432 60.800 61.300 -0.112 0.000 1.180 238 I CB 1.594 39.515 38.000 -0.132 0.000 1.340 238 I HN 0.618 nan 8.210 nan 0.000 0.455 239 E N 5.115 125.395 120.200 0.134 0.000 2.199 239 E HA 0.322 4.649 4.350 -0.039 0.000 0.265 239 E C -1.730 175.078 176.600 0.346 0.000 0.882 239 E CA -0.545 55.971 56.400 0.192 0.000 0.759 239 E CB 2.419 32.232 29.700 0.188 0.000 1.148 239 E HN 0.575 nan 8.360 nan 0.000 0.412 240 W N 3.495 124.867 121.300 0.119 0.000 3.216 240 W HA 0.129 4.767 4.660 -0.038 0.000 0.335 240 W C -0.478 176.142 176.519 0.168 0.000 1.077 240 W CA -0.397 57.043 57.345 0.158 0.000 1.252 240 W CB 0.856 30.403 29.460 0.145 0.000 1.312 240 W HN 0.355 nan 8.180 nan 0.000 0.446 241 E N 6.264 126.139 120.200 -0.541 0.000 2.149 241 E HA -0.314 4.013 4.350 -0.039 0.000 0.191 241 E C 0.524 176.837 176.600 -0.479 0.000 1.384 241 E CA 1.779 57.787 56.400 -0.654 0.000 0.698 241 E CB -0.866 28.067 29.700 -1.277 0.000 1.086 241 E HN 0.835 nan 8.360 nan 0.000 0.338 242 K N -4.276 115.867 120.400 -0.429 0.000 3.615 242 K HA -0.236 4.061 4.320 -0.039 0.000 0.264 242 K C 0.212 176.389 176.600 -0.705 0.000 1.090 242 K CA 1.739 57.599 56.287 -0.713 0.000 1.058 242 K CB -1.546 30.142 32.500 -1.354 0.000 1.304 242 K HN 0.274 nan 8.250 nan 0.000 0.513 243 W N 2.436 123.549 121.300 -0.312 0.000 2.313 243 W HA 0.386 5.023 4.660 -0.038 0.000 0.328 243 W C 0.937 177.442 176.519 -0.025 0.000 1.197 243 W CA 0.175 57.476 57.345 -0.072 0.000 1.235 243 W CB 1.228 30.788 29.460 0.166 0.000 1.158 243 W HN 0.146 nan 8.180 nan 0.000 0.578 244 S N 4.058 119.920 115.700 0.269 0.000 2.540 244 S HA 0.879 5.326 4.470 -0.039 0.000 0.275 244 S C -1.156 173.447 174.600 0.006 0.000 1.123 244 S CA -0.903 57.346 58.200 0.083 0.000 0.907 244 S CB 0.927 64.191 63.200 0.107 0.000 1.081 244 S HN 0.749 nan 8.310 nan 0.000 0.476 245 L N -0.647 120.441 121.223 -0.226 0.000 2.892 245 L HA 0.766 5.083 4.340 -0.039 0.000 0.269 245 L C -2.127 174.568 176.870 -0.292 0.000 1.058 245 L CA -1.109 53.608 54.840 -0.205 0.000 0.923 245 L CB 1.565 43.527 42.059 -0.161 0.000 1.518 245 L HN 0.514 nan 8.230 nan 0.000 0.402 246 D N 1.407 121.723 120.400 -0.139 0.000 2.391 246 D HA 0.461 5.077 4.640 -0.039 0.000 0.245 246 D C -0.739 175.558 176.300 -0.004 0.000 1.069 246 D CA -0.269 53.715 54.000 -0.028 0.000 0.831 246 D CB 3.156 43.983 40.800 0.045 0.000 1.204 246 D HN 0.350 nan 8.370 nan 0.000 0.503 247 V N 2.196 122.107 119.914 -0.005 0.000 2.353 247 V HA 0.457 4.554 4.120 -0.039 0.000 0.264 247 V C 1.020 177.165 176.094 0.086 0.000 1.049 247 V CA -0.418 61.874 62.300 -0.014 0.000 0.896 247 V CB 0.983 32.781 31.823 -0.041 0.000 1.025 247 V HN 0.592 nan 8.190 nan 0.000 0.475 248 G N 3.126 112.008 108.800 0.136 0.000 2.511 248 G HA2 0.701 4.637 3.960 -0.039 0.000 0.316 248 G HA3 0.701 4.637 3.960 -0.039 0.000 0.316 248 G C -1.465 173.526 174.900 0.151 0.000 1.210 248 G CA -0.464 44.754 45.100 0.196 0.000 0.969 248 G HN 0.507 nan 8.290 nan 0.000 0.492 249 F N -0.167 119.762 119.950 -0.035 0.000 2.605 249 F HA 0.481 4.985 4.527 -0.039 0.000 0.320 249 F C -1.438 174.311 175.800 -0.086 0.000 1.159 249 F CA -0.871 57.060 58.000 -0.115 0.000 0.999 249 F CB 2.453 41.371 39.000 -0.136 0.000 1.258 249 F HN 0.566 nan 8.300 nan 0.000 0.464 250 D N 3.756 123.786 120.400 -0.616 0.000 2.619 250 D HA 0.334 4.951 4.640 -0.039 0.000 0.241 250 D C 0.041 176.019 176.300 -0.537 0.000 1.087 250 D CA -0.627 53.167 54.000 -0.344 0.000 0.851 250 D CB 2.484 43.194 40.800 -0.150 0.000 1.474 250 D HN 0.366 nan 8.370 nan 0.000 0.478 251 V N 3.939 123.736 119.914 -0.194 0.000 2.594 251 V HA -0.109 3.988 4.120 -0.039 0.000 0.253 251 V C 2.071 178.116 176.094 -0.081 0.000 1.069 251 V CA 2.081 64.311 62.300 -0.117 0.000 1.082 251 V CB -0.402 31.388 31.823 -0.055 0.000 0.680 251 V HN 0.629 nan 8.190 nan 0.000 0.469 252 R N -0.405 120.099 120.500 0.008 0.000 2.052 252 R HA -0.049 4.268 4.340 -0.039 0.000 0.224 252 R C 2.236 178.479 176.300 -0.095 0.000 1.149 252 R CA 1.693 57.781 56.100 -0.021 0.000 0.962 252 R CB -0.220 30.031 30.300 -0.082 0.000 0.856 252 R HN 0.570 nan 8.270 nan 0.000 0.433 253 E N -0.544 119.573 120.200 -0.138 0.000 2.299 253 E HA 0.112 4.439 4.350 -0.039 0.000 0.193 253 E C 0.792 177.190 176.600 -0.337 0.000 0.998 253 E CA 0.406 56.718 56.400 -0.146 0.000 0.851 253 E CB 0.415 30.073 29.700 -0.071 0.000 0.795 253 E HN 0.576 nan 8.360 nan 0.000 0.492 254 G N 0.770 109.147 108.800 -0.704 0.000 2.498 254 G HA2 -0.304 3.633 3.960 -0.039 0.000 0.251 254 G HA3 -0.304 3.633 3.960 -0.039 0.000 0.251 254 G C -0.100 174.122 174.900 -1.129 0.000 1.170 254 G CA -0.313 43.978 45.100 -1.348 0.000 0.944 254 G HN 0.113 nan 8.290 nan 0.000 0.567 255 V N 0.960 120.389 119.914 -0.808 0.000 2.485 255 V HA 0.413 4.510 4.120 -0.039 0.000 0.287 255 V C 0.806 176.804 176.094 -0.160 0.000 1.022 255 V CA 0.175 62.350 62.300 -0.210 0.000 1.067 255 V CB 0.870 32.761 31.823 0.113 0.000 0.967 255 V HN 0.823 nan 8.190 nan 0.000 0.479 256 V N 6.952 126.726 119.914 -0.234 0.000 2.555 256 V HA 0.492 4.588 4.120 -0.039 0.000 0.302 256 V C -0.139 175.651 176.094 -0.507 0.000 1.038 256 V CA -0.684 61.394 62.300 -0.370 0.000 0.887 256 V CB 1.966 33.585 31.823 -0.340 0.000 0.991 256 V HN 0.601 nan 8.190 nan 0.000 0.434 257 L N 4.857 125.656 121.223 -0.707 0.000 2.307 257 L HA 0.622 4.938 4.340 -0.039 0.000 0.284 257 L C -0.473 176.011 176.870 -0.643 0.000 1.023 257 L CA -0.556 53.904 54.840 -0.633 0.000 0.810 257 L CB 1.125 42.734 42.059 -0.750 0.000 1.231 257 L HN 0.626 nan 8.230 nan 0.000 0.423 258 H N 3.785 122.678 119.070 -0.294 0.000 2.569 258 H HA 0.299 4.832 4.556 -0.039 0.000 0.357 258 H C -0.259 174.857 175.328 -0.354 0.000 1.153 258 H CA -0.718 55.130 56.048 -0.334 0.000 1.193 258 H CB 1.938 31.441 29.762 -0.431 0.000 1.602 258 H HN 0.570 nan 8.280 nan 0.000 0.523 259 N N 1.263 119.830 118.700 -0.221 0.000 2.738 259 N HA -0.182 4.535 4.740 -0.039 0.000 0.249 259 N C -0.368 175.078 175.510 -0.107 0.000 1.047 259 N CA 0.437 53.367 53.050 -0.199 0.000 0.707 259 N CB -1.414 36.909 38.487 -0.272 0.000 0.937 259 N HN 0.566 nan 8.380 nan 0.000 0.545 260 I N 0.485 120.994 120.570 -0.101 0.000 2.505 260 I HA 0.279 4.426 4.170 -0.039 0.000 0.287 260 I C 1.012 177.178 176.117 0.081 0.000 1.104 260 I CA 0.196 61.499 61.300 0.006 0.000 1.387 260 I CB 0.440 38.425 38.000 -0.025 0.000 1.404 260 I HN 0.314 nan 8.210 nan 0.000 0.528 261 A N 7.011 129.943 122.820 0.187 0.000 2.566 261 A HA 0.808 5.105 4.320 -0.039 0.000 0.292 261 A C -1.594 176.132 177.584 0.236 0.000 1.112 261 A CA -0.450 51.689 52.037 0.170 0.000 0.707 261 A CB 1.758 20.815 19.000 0.094 0.000 1.302 261 A HN 0.524 nan 8.150 nan 0.000 0.409 262 F N 0.389 120.336 119.950 -0.004 0.000 2.547 262 F HA 0.633 5.137 4.527 -0.039 0.000 0.316 262 F C 0.203 176.012 175.800 0.016 0.000 1.121 262 F CA -0.483 57.447 58.000 -0.117 0.000 0.911 262 F CB 1.850 40.702 39.000 -0.247 0.000 1.179 262 F HN 0.606 nan 8.300 nan 0.000 0.443 263 R N 4.106 124.507 120.500 -0.164 0.000 2.248 263 R HA 0.177 4.494 4.340 -0.039 0.000 0.337 263 R C -1.248 175.137 176.300 0.141 0.000 1.106 263 R CA -0.247 55.846 56.100 -0.010 0.000 0.959 263 R CB -0.061 30.179 30.300 -0.101 0.000 1.075 263 R HN 0.575 nan 8.270 nan 0.000 0.480 264 D N 4.052 124.640 120.400 0.314 0.000 2.467 264 D HA 0.288 4.905 4.640 -0.039 0.000 0.220 264 D C 0.882 177.284 176.300 0.170 0.000 1.103 264 D CA 0.873 55.094 54.000 0.367 0.000 0.886 264 D CB 0.872 41.922 40.800 0.416 0.000 1.025 264 D HN 0.736 nan 8.370 nan 0.000 0.514 265 G N 3.552 112.422 108.800 0.116 0.000 2.574 265 G HA2 -0.462 3.475 3.960 -0.039 0.000 0.301 265 G HA3 -0.462 3.475 3.960 -0.039 0.000 0.301 265 G C 1.062 175.987 174.900 0.042 0.000 1.166 265 G CA 1.072 46.209 45.100 0.061 0.000 0.971 265 G HN 0.605 nan 8.290 nan 0.000 0.542 266 D N 1.193 121.614 120.400 0.035 0.000 2.162 266 D HA 0.269 4.886 4.640 -0.039 0.000 0.205 266 D C 1.632 177.949 176.300 0.029 0.000 0.964 266 D CA 1.969 55.983 54.000 0.024 0.000 0.847 266 D CB -0.195 40.615 40.800 0.017 0.000 0.988 266 D HN 0.950 nan 8.370 nan 0.000 0.480 267 R N -0.190 120.332 120.500 0.036 0.000 2.368 267 R HA 0.526 4.843 4.340 -0.039 0.000 0.302 267 R C -0.753 175.582 176.300 0.059 0.000 1.002 267 R CA -0.648 55.473 56.100 0.035 0.000 0.929 267 R CB 1.387 31.697 30.300 0.017 0.000 1.073 267 R HN 0.252 nan 8.270 nan 0.000 0.464 268 L N 3.957 125.212 121.223 0.052 0.000 2.325 268 L HA 0.266 4.582 4.340 -0.039 0.000 0.284 268 L C -0.515 176.401 176.870 0.077 0.000 1.089 268 L CA 0.167 55.048 54.840 0.069 0.000 0.836 268 L CB 0.341 42.433 42.059 0.055 0.000 1.184 268 L HN 0.633 nan 8.230 nan 0.000 0.444 269 R N 6.484 127.063 120.500 0.133 0.000 2.229 269 R HA 0.427 4.744 4.340 -0.039 0.000 0.332 269 R C -2.323 174.070 176.300 0.154 0.000 0.989 269 R CA -1.790 54.393 56.100 0.139 0.000 0.842 269 R CB 0.762 31.174 30.300 0.187 0.000 1.119 269 R HN 0.474 nan 8.270 nan 0.000 0.456 270 P HA 0.079 nan 4.420 nan 0.000 0.269 270 P C 0.002 177.286 177.300 -0.027 0.000 1.209 270 P CA 0.169 63.254 63.100 -0.024 0.000 0.776 270 P CB 0.850 32.457 31.700 -0.156 0.000 0.876 271 I N 0.661 121.161 120.570 -0.118 0.000 3.746 271 I HA 0.240 4.387 4.170 -0.039 0.000 0.262 271 I C 0.508 176.475 176.117 -0.250 0.000 1.153 271 I CA 0.286 61.423 61.300 -0.272 0.000 1.395 271 I CB 0.233 37.964 38.000 -0.449 0.000 1.589 271 I HN 0.126 nan 8.210 nan 0.000 0.441 272 I N 1.274 121.728 120.570 -0.193 0.000 2.466 272 I HA 0.193 4.340 4.170 -0.039 0.000 0.289 272 I C 0.376 176.391 176.117 -0.170 0.000 1.026 272 I CA -0.286 60.908 61.300 -0.176 0.000 1.078 272 I CB 2.055 39.959 38.000 -0.160 0.000 1.249 272 I HN 0.030 nan 8.210 nan 0.000 0.429 273 N N 4.644 123.254 118.700 -0.151 0.000 2.171 273 N HA -0.003 4.714 4.740 -0.039 0.000 0.184 273 N C 0.393 175.836 175.510 -0.112 0.000 1.021 273 N CA 1.450 54.439 53.050 -0.101 0.000 0.854 273 N CB 0.385 38.899 38.487 0.044 0.000 0.994 273 N HN 0.556 nan 8.380 nan 0.000 0.426 274 R N -0.618 119.792 120.500 -0.151 0.000 2.515 274 R HA 0.597 4.914 4.340 -0.039 0.000 0.278 274 R C -2.049 174.079 176.300 -0.287 0.000 1.107 274 R CA -0.622 55.333 56.100 -0.242 0.000 0.945 274 R CB 1.513 31.721 30.300 -0.155 0.000 1.219 274 R HN 0.105 nan 8.270 nan 0.000 0.434 275 A N 2.465 125.036 122.820 -0.416 0.000 2.335 275 A HA 0.683 4.980 4.320 -0.039 0.000 0.304 275 A C -0.979 176.342 177.584 -0.438 0.000 1.118 275 A CA -0.465 51.322 52.037 -0.417 0.000 0.757 275 A CB 1.404 20.034 19.000 -0.617 0.000 1.188 275 A HN 0.782 nan 8.150 nan 0.000 0.460 276 S N 1.592 117.218 115.700 -0.124 0.000 2.625 276 S HA 0.720 5.167 4.470 -0.039 0.000 0.271 276 S C -0.961 173.761 174.600 0.203 0.000 1.161 276 S CA -0.754 57.465 58.200 0.031 0.000 0.820 276 S CB 0.963 64.117 63.200 -0.076 0.000 1.137 276 S HN 0.509 nan 8.310 nan 0.000 0.470 277 I N 2.110 122.818 120.570 0.229 0.000 2.291 277 I HA 0.402 4.549 4.170 -0.039 0.000 0.292 277 I C 1.182 177.394 176.117 0.158 0.000 1.064 277 I CA -0.449 60.974 61.300 0.205 0.000 1.269 277 I CB 0.255 38.450 38.000 0.325 0.000 1.418 277 I HN 0.985 nan 8.210 nan 0.000 0.485 278 A N 5.150 128.052 122.820 0.137 0.000 2.195 278 A HA 0.206 4.503 4.320 -0.039 0.000 0.210 278 A C 0.682 178.345 177.584 0.130 0.000 1.165 278 A CA 0.612 52.755 52.037 0.178 0.000 0.806 278 A CB 0.232 19.353 19.000 0.203 0.000 0.847 278 A HN 0.630 nan 8.150 nan 0.000 0.482 279 E N -1.037 119.180 120.200 0.029 0.000 2.388 279 E HA 0.576 4.903 4.350 -0.039 0.000 0.280 279 E C -1.084 175.521 176.600 0.008 0.000 1.019 279 E CA -0.391 55.991 56.400 -0.030 0.000 0.806 279 E CB 1.069 30.600 29.700 -0.281 0.000 1.246 279 E HN 0.390 nan 8.360 nan 0.000 0.443 280 M N 1.860 121.482 119.600 0.037 0.000 2.324 280 M HA 0.733 5.190 4.480 -0.039 0.000 0.288 280 M C -1.637 174.572 176.300 -0.152 0.000 1.097 280 M CA -1.098 54.112 55.300 -0.149 0.000 0.928 280 M CB 2.105 34.471 32.600 -0.389 0.000 1.648 280 M HN 0.238 nan 8.290 nan 0.000 0.460 281 V N 3.256 123.002 119.914 -0.280 0.000 2.680 281 V HA 0.787 4.884 4.120 -0.039 0.000 0.309 281 V C -1.246 174.595 176.094 -0.420 0.000 1.052 281 V CA -0.527 61.471 62.300 -0.502 0.000 0.908 281 V CB 2.431 33.836 31.823 -0.698 0.000 1.001 281 V HN 0.807 nan 8.190 nan 0.000 0.431 282 V N 8.232 127.927 119.914 -0.365 0.000 2.266 282 V HA 0.398 4.495 4.120 -0.039 0.000 0.266 282 V C -2.422 173.449 176.094 -0.372 0.000 1.036 282 V CA -1.376 60.728 62.300 -0.327 0.000 0.828 282 V CB 1.191 32.946 31.823 -0.113 0.000 1.081 282 V HN 0.797 nan 8.190 nan 0.000 0.449 283 P HA 0.296 nan 4.420 nan 0.000 0.280 283 P C -1.136 175.942 177.300 -0.370 0.000 1.244 283 P CA -0.240 62.679 63.100 -0.301 0.000 0.784 283 P CB 0.866 32.417 31.700 -0.249 0.000 0.913 284 Y N 0.760 120.891 120.300 -0.282 0.000 2.308 284 Y HA 0.438 4.966 4.550 -0.036 0.000 0.329 284 Y C 1.803 177.614 175.900 -0.148 0.000 1.111 284 Y CA 0.381 58.348 58.100 -0.222 0.000 1.179 284 Y CB 1.163 39.403 38.460 -0.366 0.000 1.201 284 Y HN 0.479 nan 8.280 nan 0.000 0.483 285 G N 1.446 110.252 108.800 0.011 0.000 3.707 285 G HA2 -0.003 3.934 3.960 -0.039 0.000 0.286 285 G HA3 -0.003 3.934 3.960 -0.039 0.000 0.286 285 G C -0.658 174.254 174.900 0.020 0.000 1.112 285 G CA -0.176 44.940 45.100 0.026 0.000 0.861 285 G HN 0.516 nan 8.290 nan 0.000 0.534 286 D N 1.076 121.470 120.400 -0.011 0.000 2.317 286 D HA 0.279 4.896 4.640 -0.039 0.000 0.234 286 D C -1.299 174.957 176.300 -0.073 0.000 1.112 286 D CA -2.409 51.551 54.000 -0.066 0.000 0.840 286 D CB 2.323 43.075 40.800 -0.079 0.000 1.078 286 D HN 0.017 nan 8.370 nan 0.000 0.486 287 P HA -0.001 nan 4.420 nan 0.000 0.245 287 P C 0.313 177.591 177.300 -0.037 0.000 1.212 287 P CA -0.093 62.984 63.100 -0.038 0.000 0.774 287 P CB 0.084 31.774 31.700 -0.016 0.000 0.999 288 S N 2.474 118.141 115.700 -0.054 0.000 2.549 288 S HA 0.087 4.534 4.470 -0.039 0.000 0.286 288 S C -1.012 173.578 174.600 -0.016 0.000 1.314 288 S CA -0.989 57.192 58.200 -0.032 0.000 1.062 288 S CB 0.188 63.352 63.200 -0.061 0.000 0.865 288 S HN 0.014 nan 8.310 nan 0.000 0.498 289 P HA -0.069 nan 4.420 nan 0.000 0.228 289 P C 1.322 178.751 177.300 0.215 0.000 1.151 289 P CA 0.553 63.725 63.100 0.120 0.000 0.770 289 P CB -0.080 31.700 31.700 0.134 0.000 0.786 290 I N -0.199 120.453 120.570 0.136 0.000 2.493 290 I HA -0.099 4.048 4.170 -0.039 0.000 0.254 290 I C 2.004 178.201 176.117 0.134 0.000 1.160 290 I CA 1.347 62.768 61.300 0.201 0.000 1.445 290 I CB -0.956 37.082 38.000 0.064 0.000 1.086 290 I HN 0.051 nan 8.210 nan 0.000 0.433 291 R N -0.635 119.722 120.500 -0.238 0.000 2.541 291 R HA 0.101 4.418 4.340 -0.039 0.000 0.332 291 R C 1.933 177.728 176.300 -0.842 0.000 0.951 291 R CA 0.488 56.131 56.100 -0.762 0.000 1.136 291 R CB 0.298 30.306 30.300 -0.487 0.000 1.449 291 R HN 0.267 nan 8.270 nan 0.000 0.531 292 S N 0.812 116.231 115.700 -0.468 0.000 2.474 292 S HA -0.106 4.341 4.470 -0.039 0.000 0.235 292 S C 1.500 175.887 174.600 -0.354 0.000 0.997 292 S CA 0.296 58.317 58.200 -0.298 0.000 0.949 292 S CB -0.387 62.736 63.200 -0.128 0.000 0.766 292 S HN 0.597 nan 8.310 nan 0.000 0.517 293 W N 0.931 122.000 121.300 -0.384 0.000 3.047 293 W HA 0.320 4.955 4.660 -0.043 0.000 0.250 293 W C 0.618 177.044 176.519 -0.154 0.000 1.314 293 W CA -0.474 56.485 57.345 -0.643 0.000 1.540 293 W CB -0.685 28.374 29.460 -0.668 0.000 1.127 293 W HN 0.319 nan 8.180 nan 0.000 0.679 294 Q N 2.747 122.118 119.800 -0.716 0.000 2.344 294 Q HA 0.137 4.454 4.340 -0.039 0.000 0.253 294 Q C -0.775 174.966 176.000 -0.433 0.000 1.050 294 Q CA 0.369 55.680 55.803 -0.820 0.000 0.912 294 Q CB 0.166 28.038 28.738 -1.443 0.000 1.258 294 Q HN 0.069 nan 8.270 nan 0.000 0.443 295 N N 4.259 122.796 118.700 -0.273 0.000 2.397 295 N HA 0.200 4.917 4.740 -0.039 0.000 0.291 295 N C -1.792 173.611 175.510 -0.179 0.000 1.065 295 N CA -0.467 52.429 53.050 -0.258 0.000 0.884 295 N CB 1.318 39.792 38.487 -0.022 0.000 1.551 295 N HN 0.384 nan 8.380 nan 0.000 0.487 296 Y N 0.995 121.316 120.300 0.036 0.000 2.328 296 Y HA 0.429 4.955 4.550 -0.040 0.000 0.337 296 Y C -0.096 175.805 175.900 0.001 0.000 1.008 296 Y CA -0.819 57.373 58.100 0.153 0.000 1.129 296 Y CB 0.529 39.037 38.460 0.081 0.000 1.185 296 Y HN 0.361 nan 8.280 nan 0.000 0.476 297 F N 3.054 123.230 119.950 0.377 0.000 2.351 297 F HA 0.257 4.761 4.527 -0.039 0.000 0.362 297 F C 0.741 176.745 175.800 0.340 0.000 1.131 297 F CA -0.909 57.246 58.000 0.260 0.000 1.187 297 F CB 0.366 39.475 39.000 0.181 0.000 1.434 297 F HN 0.515 nan 8.300 nan 0.000 0.553 298 D N 0.233 120.853 120.400 0.366 0.000 2.117 298 D HA -0.157 4.460 4.640 -0.039 0.000 0.197 298 D C 2.034 178.559 176.300 0.374 0.000 0.987 298 D CA 1.724 55.940 54.000 0.361 0.000 0.829 298 D CB -0.054 40.885 40.800 0.232 0.000 0.961 298 D HN 0.397 nan 8.370 nan 0.000 0.460 299 T N -0.642 114.071 114.554 0.266 0.000 2.698 299 T HA -0.025 4.302 4.350 -0.039 0.000 0.260 299 T C 2.080 176.852 174.700 0.121 0.000 1.044 299 T CA 1.368 63.572 62.100 0.173 0.000 1.149 299 T CB -0.767 68.167 68.868 0.111 0.000 0.864 299 T HN 0.284 nan 8.240 nan 0.000 0.419 300 G N 0.779 109.656 108.800 0.128 0.000 2.403 300 G HA2 -0.087 3.850 3.960 -0.039 0.000 0.216 300 G HA3 -0.087 3.850 3.960 -0.039 0.000 0.216 300 G C 1.479 176.405 174.900 0.042 0.000 1.154 300 G CA 0.425 45.518 45.100 -0.012 0.000 0.784 300 G HN 0.483 nan 8.290 nan 0.000 0.538 301 E N -0.994 119.318 120.200 0.187 0.000 2.102 301 E HA 0.057 4.384 4.350 -0.039 0.000 0.190 301 E C 1.883 178.501 176.600 0.030 0.000 0.971 301 E CA 0.549 57.004 56.400 0.090 0.000 0.821 301 E CB 0.018 29.808 29.700 0.149 0.000 0.777 301 E HN 0.561 nan 8.360 nan 0.000 0.460 302 Y N -0.180 120.285 120.300 0.276 0.000 2.524 302 Y HA 0.269 4.796 4.550 -0.039 0.000 0.270 302 Y C -0.038 176.089 175.900 0.379 0.000 1.094 302 Y CA 0.001 58.328 58.100 0.379 0.000 1.276 302 Y CB 0.595 39.297 38.460 0.403 0.000 1.130 302 Y HN -0.144 nan 8.280 nan 0.000 0.536 303 L N 0.638 122.090 121.223 0.381 0.000 2.706 303 L HA -0.194 4.123 4.340 -0.039 0.000 0.666 303 L C 0.975 178.009 176.870 0.273 0.000 1.021 303 L CA -0.020 54.956 54.840 0.227 0.000 1.360 303 L CB -1.621 40.521 42.059 0.137 0.000 1.957 303 L HN 0.135 nan 8.230 nan 0.000 0.920 304 V N -0.405 119.665 119.914 0.260 0.000 2.490 304 V HA -0.094 4.003 4.120 -0.039 0.000 0.250 304 V C 2.190 178.450 176.094 0.277 0.000 1.061 304 V CA 2.114 64.617 62.300 0.337 0.000 1.064 304 V CB -0.495 31.498 31.823 0.284 0.000 0.670 304 V HN 0.853 nan 8.190 nan 0.000 0.461 305 G N 1.087 109.913 108.800 0.043 0.000 2.422 305 G HA2 -0.298 3.639 3.960 -0.039 0.000 0.218 305 G HA3 -0.298 3.639 3.960 -0.039 0.000 0.218 305 G C 1.585 176.588 174.900 0.171 0.000 1.146 305 G CA 1.002 46.071 45.100 -0.053 0.000 0.769 305 G HN 0.800 nan 8.290 nan 0.000 0.547 306 Q N -0.885 118.901 119.800 -0.024 0.000 2.291 306 Q HA -0.049 4.268 4.340 -0.039 0.000 0.205 306 Q C 1.185 177.015 176.000 -0.283 0.000 0.970 306 Q CA 0.919 56.600 55.803 -0.202 0.000 0.876 306 Q CB -0.311 28.172 28.738 -0.425 0.000 0.935 306 Q HN 0.529 nan 8.270 nan 0.000 0.455 307 Y N 0.912 121.367 120.300 0.257 0.000 2.532 307 Y HA 0.476 5.004 4.550 -0.037 0.000 0.283 307 Y C 0.652 176.735 175.900 0.306 0.000 1.181 307 Y CA -0.652 57.607 58.100 0.264 0.000 1.256 307 Y CB -0.153 38.478 38.460 0.284 0.000 1.112 307 Y HN 0.163 nan 8.280 nan 0.000 0.521 308 A N 0.911 123.984 122.820 0.421 0.000 2.540 308 A HA 0.047 4.344 4.320 -0.039 0.000 0.239 308 A C 0.326 178.113 177.584 0.338 0.000 1.061 308 A CA -0.231 52.093 52.037 0.478 0.000 0.758 308 A CB -0.254 19.040 19.000 0.490 0.000 0.991 308 A HN 0.603 nan 8.150 nan 0.000 0.502 309 N N 0.859 119.765 118.700 0.342 0.000 2.503 309 N HA 0.254 4.971 4.740 -0.039 0.000 0.267 309 N C -0.319 175.289 175.510 0.164 0.000 1.214 309 N CA -0.250 52.939 53.050 0.232 0.000 0.959 309 N CB 0.604 39.216 38.487 0.208 0.000 1.142 309 N HN 0.570 nan 8.380 nan 0.000 0.455 310 S N 1.514 117.271 115.700 0.095 0.000 2.448 310 S HA 0.182 4.628 4.470 -0.039 0.000 0.279 310 S C -0.002 174.613 174.600 0.026 0.000 1.195 310 S CA -0.501 57.719 58.200 0.033 0.000 1.051 310 S CB -0.072 63.126 63.200 -0.002 0.000 0.948 310 S HN 0.273 nan 8.310 nan 0.000 0.493 311 L N 3.110 124.350 121.223 0.028 0.000 2.276 311 L HA 0.493 4.810 4.340 -0.039 0.000 0.286 311 L C 0.800 177.668 176.870 -0.003 0.000 1.061 311 L CA -0.574 54.304 54.840 0.064 0.000 0.807 311 L CB 0.341 42.521 42.059 0.202 0.000 1.177 311 L HN 0.646 nan 8.230 nan 0.000 0.429 312 E N 3.369 123.576 120.200 0.012 0.000 2.313 312 E HA 0.415 4.742 4.350 -0.039 0.000 0.272 312 E C -0.720 175.921 176.600 0.067 0.000 1.038 312 E CA -0.795 55.604 56.400 -0.001 0.000 0.863 312 E CB 1.669 31.366 29.700 -0.005 0.000 1.060 312 E HN 0.492 nan 8.360 nan 0.000 0.402 313 L N 1.795 123.063 121.223 0.075 0.000 2.397 313 L HA 0.536 4.853 4.340 -0.039 0.000 0.271 313 L C 1.618 178.530 176.870 0.071 0.000 1.148 313 L CA 1.823 56.744 54.840 0.136 0.000 0.825 313 L CB 0.913 43.061 42.059 0.149 0.000 1.117 313 L HN 1.153 nan 8.230 nan 0.000 0.456 314 G N 2.253 111.088 108.800 0.059 0.000 2.179 314 G HA2 -0.337 3.600 3.960 -0.039 0.000 0.260 314 G HA3 -0.337 3.600 3.960 -0.039 0.000 0.260 314 G C 0.649 175.561 174.900 0.020 0.000 0.977 314 G CA 0.751 45.869 45.100 0.030 0.000 0.641 314 G HN 1.311 nan 8.290 nan 0.000 0.533 315 C N -3.968 115.346 119.300 0.024 0.000 4.263 315 C HA 0.436 4.873 4.460 -0.039 0.000 0.563 315 C C 1.515 176.508 174.990 0.005 0.000 1.346 315 C CA 1.071 60.094 59.018 0.008 0.000 2.528 315 C CB 0.018 27.757 27.740 -0.002 0.000 3.692 315 C HN 0.134 nan 8.230 nan 0.000 0.515 316 D N 1.091 121.504 120.400 0.022 0.000 2.197 316 D HA 0.138 4.755 4.640 -0.039 0.000 0.212 316 D C 0.209 176.562 176.300 0.089 0.000 0.963 316 D CA 1.325 55.342 54.000 0.028 0.000 0.864 316 D CB 0.303 41.124 40.800 0.035 0.000 1.009 316 D HN 0.514 nan 8.370 nan 0.000 0.479 317 c N 1.455 120.107 118.600 0.087 0.000 2.396 317 c HA 0.552 5.098 4.570 -0.039 0.000 0.321 317 c C -0.450 173.604 174.090 -0.061 0.000 1.233 317 c CA -1.038 55.299 56.329 0.014 0.000 1.440 317 c CB 1.128 43.648 42.510 0.017 0.000 2.110 317 c HN 0.162 nan 8.230 nan 0.000 0.473 318 L N 3.923 125.063 121.223 -0.139 0.000 2.329 318 L HA 0.959 5.276 4.340 -0.039 0.000 0.279 318 L C 0.439 177.203 176.870 -0.177 0.000 1.014 318 L CA 1.604 56.383 54.840 -0.103 0.000 0.814 318 L CB 1.084 43.120 42.059 -0.038 0.000 1.257 318 L HN 1.130 nan 8.230 nan 0.000 0.424 319 G N 3.346 112.093 108.800 -0.089 0.000 2.447 319 G HA2 -0.158 3.778 3.960 -0.039 0.000 0.220 319 G HA3 -0.158 3.778 3.960 -0.039 0.000 0.220 319 G C -0.968 173.907 174.900 -0.041 0.000 1.261 319 G CA -0.235 44.833 45.100 -0.053 0.000 1.000 319 G HN 0.760 nan 8.290 nan 0.000 0.515 320 D N 1.353 121.756 120.400 0.005 0.000 2.402 320 D HA 0.362 4.979 4.640 -0.039 0.000 0.235 320 D C 0.313 176.633 176.300 0.033 0.000 1.226 320 D CA -0.078 53.935 54.000 0.022 0.000 0.918 320 D CB -0.108 40.715 40.800 0.038 0.000 1.043 320 D HN 0.341 nan 8.370 nan 0.000 0.506 321 I N 2.613 123.155 120.570 -0.046 0.000 2.392 321 I HA 0.200 4.346 4.170 -0.039 0.000 0.295 321 I C 0.713 176.736 176.117 -0.157 0.000 0.985 321 I CA -0.523 60.681 61.300 -0.160 0.000 1.221 321 I CB 1.525 39.251 38.000 -0.456 0.000 1.366 321 I HN 0.093 nan 8.210 nan 0.000 0.467 322 T N 6.373 120.896 114.554 -0.053 0.000 2.779 322 T HA 0.533 4.860 4.350 -0.039 0.000 0.280 322 T C -0.651 173.985 174.700 -0.106 0.000 0.987 322 T CA -0.297 61.822 62.100 0.031 0.000 0.966 322 T CB 0.602 69.644 68.868 0.290 0.000 0.933 322 T HN 0.161 nan 8.240 nan 0.000 0.442 323 Y N 1.979 122.338 120.300 0.098 0.000 2.420 323 Y HA 0.613 5.139 4.550 -0.039 0.000 0.334 323 Y C 0.230 176.154 175.900 0.041 0.000 1.094 323 Y CA -1.190 56.947 58.100 0.061 0.000 1.126 323 Y CB 1.049 39.535 38.460 0.042 0.000 1.217 323 Y HN 0.387 nan 8.280 nan 0.000 0.462 324 L N 1.495 122.827 121.223 0.182 0.000 2.334 324 L HA 0.575 4.892 4.340 -0.039 0.000 0.272 324 L C -0.287 176.602 176.870 0.030 0.000 1.020 324 L CA -0.704 54.185 54.840 0.082 0.000 0.812 324 L CB 1.703 43.780 42.059 0.030 0.000 1.264 324 L HN 0.534 nan 8.230 nan 0.000 0.439 325 S N 2.276 117.962 115.700 -0.023 0.000 2.252 325 S HA 0.329 4.775 4.470 -0.039 0.000 0.187 325 S C -2.371 172.149 174.600 -0.132 0.000 1.587 325 S CA -1.014 57.137 58.200 -0.080 0.000 1.215 325 S CB 0.732 63.904 63.200 -0.047 0.000 1.085 325 S HN 0.378 nan 8.310 nan 0.000 0.466 326 P HA 0.280 nan 4.420 nan 0.000 0.272 326 P C -0.747 176.434 177.300 -0.197 0.000 1.230 326 P CA -0.341 62.587 63.100 -0.286 0.000 0.788 326 P CB 0.744 32.008 31.700 -0.727 0.000 0.949 327 V N 3.223 123.089 119.914 -0.080 0.000 2.495 327 V HA 0.488 4.585 4.120 -0.039 0.000 0.298 327 V C 0.587 176.688 176.094 0.012 0.000 1.031 327 V CA -0.611 61.669 62.300 -0.034 0.000 0.871 327 V CB 1.285 33.102 31.823 -0.010 0.000 0.988 327 V HN 0.503 nan 8.190 nan 0.000 0.432 328 I N 0.894 121.465 120.570 0.003 0.000 3.108 328 I HA 0.791 4.938 4.170 -0.039 0.000 0.312 328 I C -0.086 176.019 176.117 -0.020 0.000 1.095 328 I CA -0.642 60.664 61.300 0.010 0.000 1.000 328 I CB 2.356 40.372 38.000 0.026 0.000 1.229 328 I HN 0.526 nan 8.210 nan 0.000 0.454 329 S N 1.815 117.487 115.700 -0.046 0.000 2.537 329 S HA 0.276 4.723 4.470 -0.039 0.000 0.275 329 S C -0.297 174.270 174.600 -0.055 0.000 1.272 329 S CA -0.554 57.615 58.200 -0.052 0.000 1.050 329 S CB 0.351 63.505 63.200 -0.076 0.000 0.961 329 S HN 0.803 nan 8.310 nan 0.000 0.496 330 D N 3.601 123.984 120.400 -0.029 0.000 2.398 330 D HA 0.306 4.922 4.640 -0.039 0.000 0.264 330 D C 1.310 177.545 176.300 -0.109 0.000 1.263 330 D CA 0.032 54.007 54.000 -0.042 0.000 1.037 330 D CB -0.117 40.702 40.800 0.031 0.000 1.101 330 D HN 0.484 nan 8.370 nan 0.000 0.551 331 A N -1.265 121.408 122.820 -0.244 0.000 2.125 331 A HA -0.018 4.279 4.320 -0.039 0.000 0.219 331 A C 1.507 178.749 177.584 -0.569 0.000 1.156 331 A CA 0.769 52.528 52.037 -0.463 0.000 0.671 331 A CB -0.873 17.722 19.000 -0.674 0.000 0.794 331 A HN 0.469 nan 8.150 nan 0.000 0.459 332 F N -1.960 117.989 119.950 -0.001 0.000 2.682 332 F HA 0.408 4.911 4.527 -0.039 0.000 0.308 332 F C 1.723 177.513 175.800 -0.017 0.000 1.093 332 F CA 0.282 58.280 58.000 -0.004 0.000 1.244 332 F CB 0.355 39.352 39.000 -0.005 0.000 1.052 332 F HN 0.290 nan 8.300 nan 0.000 0.573 333 G N 0.272 109.125 108.800 0.088 0.000 2.159 333 G HA2 -0.245 3.691 3.960 -0.039 0.000 0.227 333 G HA3 -0.245 3.691 3.960 -0.039 0.000 0.227 333 G C -0.023 174.892 174.900 0.025 0.000 0.986 333 G CA -0.483 44.635 45.100 0.030 0.000 0.651 333 G HN 0.249 nan 8.290 nan 0.000 0.523 334 N N 2.010 120.750 118.700 0.067 0.000 2.530 334 N HA 0.423 5.139 4.740 -0.039 0.000 0.277 334 N C -2.560 172.957 175.510 0.011 0.000 1.168 334 N CA -0.987 52.085 53.050 0.037 0.000 0.979 334 N CB 1.506 40.029 38.487 0.061 0.000 1.141 334 N HN 0.195 nan 8.380 nan 0.000 0.459 335 P HA 0.177 nan 4.420 nan 0.000 0.276 335 P C -0.710 176.587 177.300 -0.004 0.000 1.230 335 P CA -0.179 62.914 63.100 -0.013 0.000 0.776 335 P CB 0.756 32.443 31.700 -0.021 0.000 0.888 336 R N 1.147 121.642 120.500 -0.008 0.000 2.621 336 R HA 0.518 4.835 4.340 -0.039 0.000 0.292 336 R C -0.427 175.861 176.300 -0.021 0.000 0.969 336 R CA -0.935 55.161 56.100 -0.007 0.000 0.887 336 R CB 1.840 32.141 30.300 0.001 0.000 1.180 336 R HN 0.422 nan 8.270 nan 0.000 0.450 337 E N 4.398 124.582 120.200 -0.026 0.000 2.249 337 E HA 0.240 4.567 4.350 -0.039 0.000 0.280 337 E C -0.757 175.810 176.600 -0.055 0.000 1.016 337 E CA -0.789 55.584 56.400 -0.046 0.000 0.830 337 E CB 1.154 30.830 29.700 -0.040 0.000 1.081 337 E HN 0.620 nan 8.360 nan 0.000 0.395 338 I N 4.229 124.741 120.570 -0.098 0.000 2.281 338 I HA 0.178 4.325 4.170 -0.039 0.000 0.293 338 I C 0.686 176.745 176.117 -0.098 0.000 1.085 338 I CA -0.466 60.778 61.300 -0.095 0.000 1.257 338 I CB 0.290 38.197 38.000 -0.154 0.000 1.430 338 I HN 0.517 nan 8.210 nan 0.000 0.489 339 R N 6.400 126.861 120.500 -0.066 0.000 2.489 339 R HA 0.044 4.361 4.340 -0.039 0.000 0.287 339 R C 0.293 176.531 176.300 -0.104 0.000 1.053 339 R CA -0.018 56.034 56.100 -0.079 0.000 1.036 339 R CB 0.268 30.526 30.300 -0.071 0.000 0.966 339 R HN 0.597 nan 8.270 nan 0.000 0.432 340 N N 2.415 121.037 118.700 -0.131 0.000 2.716 340 N HA -0.184 4.533 4.740 -0.039 0.000 0.250 340 N C 0.574 176.088 175.510 0.007 0.000 1.033 340 N CA 1.138 54.078 53.050 -0.182 0.000 0.727 340 N CB -1.186 36.923 38.487 -0.631 0.000 0.950 340 N HN 0.900 nan 8.380 nan 0.000 0.541 341 G N -0.985 107.817 108.800 0.003 0.000 2.464 341 G HA2 0.172 4.109 3.960 -0.039 0.000 0.217 341 G HA3 0.172 4.109 3.960 -0.039 0.000 0.217 341 G C 0.544 175.519 174.900 0.124 0.000 1.138 341 G CA 0.226 45.339 45.100 0.022 0.000 0.793 341 G HN 0.450 nan 8.290 nan 0.000 0.539 342 I N 0.676 121.319 120.570 0.122 0.000 2.418 342 I HA 0.297 4.444 4.170 -0.039 0.000 0.287 342 I C -0.650 175.587 176.117 0.199 0.000 1.008 342 I CA -0.928 60.468 61.300 0.160 0.000 1.104 342 I CB 2.222 40.262 38.000 0.066 0.000 1.264 342 I HN -0.152 nan 8.210 nan 0.000 0.438 343 c N 7.100 125.797 118.600 0.161 0.000 2.350 343 c HA 0.641 5.187 4.570 -0.039 0.000 0.348 343 c C 0.153 174.234 174.090 -0.016 0.000 1.260 343 c CA -0.485 55.863 56.329 0.032 0.000 1.966 343 c CB 0.413 42.972 42.510 0.083 0.000 2.380 343 c HN 0.663 nan 8.230 nan 0.000 0.535 344 M N 5.708 125.255 119.600 -0.088 0.000 2.204 344 M HA 0.471 4.928 4.480 -0.039 0.000 0.293 344 M C -0.551 175.686 176.300 -0.106 0.000 0.994 344 M CA -0.140 55.033 55.300 -0.213 0.000 0.925 344 M CB 1.683 34.081 32.600 -0.336 0.000 1.577 344 M HN 0.945 nan 8.290 nan 0.000 0.439 345 H N 1.040 119.919 119.070 -0.319 0.000 2.981 345 H HA 0.560 5.092 4.556 -0.039 0.000 0.327 345 H C -1.998 173.205 175.328 -0.208 0.000 1.342 345 H CA -1.020 54.973 56.048 -0.093 0.000 1.123 345 H CB 1.284 31.046 29.762 -0.001 0.000 1.851 345 H HN 0.732 nan 8.280 nan 0.000 0.531 346 E N 0.868 121.076 120.200 0.013 0.000 2.207 346 E HA 0.516 4.843 4.350 -0.039 0.000 0.270 346 E C -0.945 175.700 176.600 0.076 0.000 0.927 346 E CA -0.913 55.407 56.400 -0.132 0.000 0.799 346 E CB 2.751 32.500 29.700 0.082 0.000 1.172 346 E HN 0.733 nan 8.360 nan 0.000 0.404 347 E N 1.791 122.002 120.200 0.018 0.000 2.393 347 E HA 0.284 4.611 4.350 -0.039 0.000 0.273 347 E C -1.380 175.342 176.600 0.204 0.000 0.918 347 E CA -1.055 55.437 56.400 0.152 0.000 0.773 347 E CB 1.503 31.312 29.700 0.181 0.000 1.275 347 E HN 0.497 nan 8.360 nan 0.000 0.451 348 D N 0.839 121.374 120.400 0.225 0.000 2.399 348 D HA -0.015 4.602 4.640 -0.039 0.000 0.241 348 D C -0.997 175.524 176.300 0.369 0.000 1.133 348 D CA 0.063 54.206 54.000 0.240 0.000 0.890 348 D CB 0.556 41.444 40.800 0.147 0.000 1.201 348 D HN 0.506 nan 8.370 nan 0.000 0.432 349 W N 5.527 126.869 121.300 0.070 0.000 1.187 349 W HA 0.373 5.010 4.660 -0.039 0.000 0.297 349 W C 0.179 176.733 176.519 0.058 0.000 0.842 349 W CA 0.117 57.502 57.345 0.068 0.000 2.286 349 W CB 0.139 29.681 29.460 0.137 0.000 1.736 349 W HN 0.832 nan 8.180 nan 0.000 0.507 350 G N 1.885 110.639 108.800 -0.077 0.000 2.601 350 G HA2 -0.317 3.620 3.960 -0.039 0.000 0.252 350 G HA3 -0.317 3.620 3.960 -0.039 0.000 0.252 350 G C -0.441 174.446 174.900 -0.022 0.000 1.294 350 G CA -0.264 44.761 45.100 -0.125 0.000 0.912 350 G HN 0.064 nan 8.290 nan 0.000 0.574 351 I N 1.173 121.720 120.570 -0.038 0.000 2.496 351 I HA 0.192 4.339 4.170 -0.039 0.000 0.285 351 I C 1.642 177.785 176.117 0.043 0.000 1.080 351 I CA -0.084 61.215 61.300 -0.000 0.000 1.404 351 I CB 0.856 38.847 38.000 -0.014 0.000 1.403 351 I HN 0.645 nan 8.210 nan 0.000 0.539 352 L N 6.336 127.601 121.223 0.069 0.000 2.221 352 L HA 0.450 4.767 4.340 -0.039 0.000 0.202 352 L C 0.614 177.538 176.870 0.090 0.000 1.074 352 L CA 1.038 55.939 54.840 0.102 0.000 0.795 352 L CB 0.090 42.219 42.059 0.116 0.000 0.960 352 L HN 0.724 nan 8.230 nan 0.000 0.458 353 A N -0.491 122.385 122.820 0.093 0.000 2.577 353 A HA 0.632 4.929 4.320 -0.039 0.000 0.297 353 A C -1.125 176.561 177.584 0.171 0.000 1.060 353 A CA -0.606 51.515 52.037 0.141 0.000 0.697 353 A CB 0.974 20.100 19.000 0.211 0.000 1.281 353 A HN 0.052 nan 8.150 nan 0.000 0.402 354 K N 0.970 121.482 120.400 0.188 0.000 2.557 354 K HA 0.615 4.912 4.320 -0.039 0.000 0.261 354 K C -2.114 174.638 176.600 0.253 0.000 0.932 354 K CA -0.530 55.880 56.287 0.203 0.000 0.829 354 K CB 1.772 34.326 32.500 0.089 0.000 1.358 354 K HN 1.106 nan 8.250 nan 0.000 0.430 355 H N 0.299 119.455 119.070 0.143 0.000 3.087 355 H HA 0.382 4.915 4.556 -0.039 0.000 0.348 355 H C -1.905 173.455 175.328 0.053 0.000 1.092 355 H CA -0.377 55.706 56.048 0.058 0.000 1.285 355 H CB 1.978 31.746 29.762 0.009 0.000 1.875 355 H HN 0.425 nan 8.280 nan 0.000 0.512 356 S N 4.122 119.472 115.700 -0.584 0.000 2.532 356 S HA 0.152 4.599 4.470 -0.039 0.000 0.318 356 S C -0.772 173.377 174.600 -0.752 0.000 1.083 356 S CA -0.641 57.277 58.200 -0.470 0.000 1.131 356 S CB 0.276 63.339 63.200 -0.229 0.000 0.973 356 S HN 0.641 nan 8.310 nan 0.000 0.468 357 D N 2.147 122.172 120.400 -0.625 0.000 2.295 357 D HA 0.258 4.875 4.640 -0.039 0.000 0.248 357 D C 1.017 177.208 176.300 -0.182 0.000 1.154 357 D CA -0.547 53.233 54.000 -0.367 0.000 0.857 357 D CB 0.867 41.649 40.800 -0.029 0.000 1.117 357 D HN 0.253 nan 8.370 nan 0.000 0.468 358 L N 5.456 126.545 121.223 -0.225 0.000 2.017 358 L HA -0.046 4.271 4.340 -0.039 0.000 0.208 358 L C 1.420 178.312 176.870 0.036 0.000 1.073 358 L CA 1.628 56.381 54.840 -0.145 0.000 0.745 358 L CB -0.398 41.509 42.059 -0.254 0.000 0.894 358 L HN 0.603 nan 8.230 nan 0.000 0.432 359 W N -0.343 120.965 121.300 0.013 0.000 2.381 359 W HA -0.048 4.589 4.660 -0.038 0.000 0.301 359 W C 3.004 179.529 176.519 0.009 0.000 1.205 359 W CA 1.416 58.769 57.345 0.013 0.000 1.285 359 W CB -1.702 27.770 29.460 0.021 0.000 1.133 359 W HN 0.523 nan 8.180 nan 0.000 0.521 360 S N -0.664 115.174 115.700 0.230 0.000 2.496 360 S HA 0.216 4.663 4.470 -0.039 0.000 0.224 360 S C 1.843 176.492 174.600 0.081 0.000 0.996 360 S CA 1.039 59.320 58.200 0.136 0.000 0.927 360 S CB -0.262 63.007 63.200 0.115 0.000 0.774 360 S HN 0.424 nan 8.310 nan 0.000 0.524 361 G N 1.083 109.918 108.800 0.059 0.000 2.189 361 G HA2 -0.264 3.673 3.960 -0.039 0.000 0.267 361 G HA3 -0.264 3.673 3.960 -0.039 0.000 0.267 361 G C 0.043 174.950 174.900 0.012 0.000 0.975 361 G CA 0.511 45.626 45.100 0.026 0.000 0.644 361 G HN 0.626 nan 8.290 nan 0.000 0.537 362 I N 1.387 121.968 120.570 0.018 0.000 2.352 362 I HA 0.244 4.390 4.170 -0.039 0.000 0.290 362 I C -0.321 175.800 176.117 0.005 0.000 1.036 362 I CA -0.760 60.557 61.300 0.030 0.000 1.336 362 I CB 0.839 38.872 38.000 0.055 0.000 1.407 362 I HN -0.035 nan 8.210 nan 0.000 0.497 363 N N 6.547 125.259 118.700 0.021 0.000 2.419 363 N HA 0.318 5.035 4.740 -0.039 0.000 0.277 363 N C -1.245 174.330 175.510 0.109 0.000 1.006 363 N CA -0.388 52.674 53.050 0.019 0.000 0.923 363 N CB 1.496 39.976 38.487 -0.013 0.000 1.140 363 N HN 0.450 nan 8.380 nan 0.000 0.488 364 Y N 0.852 121.138 120.300 -0.023 0.000 2.406 364 Y HA 0.498 5.025 4.550 -0.039 0.000 0.340 364 Y C -1.051 174.856 175.900 0.012 0.000 0.975 364 Y CA -0.363 57.742 58.100 0.008 0.000 1.056 364 Y CB 1.689 40.170 38.460 0.035 0.000 1.210 364 Y HN 0.356 nan 8.280 nan 0.000 0.448 365 T N 6.783 121.125 114.554 -0.353 0.000 3.032 365 T HA 0.557 4.884 4.350 -0.039 0.000 0.312 365 T C -1.305 173.157 174.700 -0.397 0.000 1.078 365 T CA -0.996 60.953 62.100 -0.253 0.000 1.028 365 T CB 1.138 69.935 68.868 -0.119 0.000 1.091 365 T HN 0.423 nan 8.240 nan 0.000 0.457 366 R N 1.857 122.197 120.500 -0.268 0.000 2.744 366 R HA 0.553 4.870 4.340 -0.039 0.000 0.279 366 R C -0.398 175.876 176.300 -0.044 0.000 0.977 366 R CA -0.885 55.110 56.100 -0.175 0.000 0.906 366 R CB 2.176 32.386 30.300 -0.150 0.000 1.197 366 R HN 0.529 nan 8.270 nan 0.000 0.463 367 R N 1.167 121.660 120.500 -0.011 0.000 2.457 367 R HA 0.310 4.627 4.340 -0.039 0.000 0.284 367 R C 0.163 176.525 176.300 0.103 0.000 1.024 367 R CA -0.827 55.298 56.100 0.042 0.000 1.025 367 R CB 0.942 31.267 30.300 0.041 0.000 1.063 367 R HN 0.385 nan 8.270 nan 0.000 0.493 368 N N 1.373 120.170 118.700 0.162 0.000 2.489 368 N HA 0.332 5.049 4.740 -0.039 0.000 0.284 368 N C -0.946 174.763 175.510 0.331 0.000 1.158 368 N CA -0.476 52.735 53.050 0.269 0.000 0.965 368 N CB 1.067 39.767 38.487 0.355 0.000 1.195 368 N HN 0.543 nan 8.380 nan 0.000 0.506 369 R N -0.633 120.106 120.500 0.398 0.000 2.734 369 R HA 0.616 4.932 4.340 -0.039 0.000 0.271 369 R C -0.975 175.563 176.300 0.398 0.000 1.021 369 R CA -1.067 55.281 56.100 0.413 0.000 0.893 369 R CB 1.440 31.986 30.300 0.410 0.000 1.244 369 R HN 0.625 nan 8.270 nan 0.000 0.464 370 R N 0.710 121.239 120.500 0.049 0.000 2.725 370 R HA 0.560 4.877 4.340 -0.039 0.000 0.277 370 R C -1.167 174.658 176.300 -0.792 0.000 0.987 370 R CA -1.126 54.709 56.100 -0.440 0.000 0.901 370 R CB 1.744 31.392 30.300 -1.086 0.000 1.207 370 R HN 0.556 nan 8.270 nan 0.000 0.463 371 M N 2.571 121.390 119.600 -1.302 0.000 2.146 371 M HA 0.286 4.743 4.480 -0.039 0.000 0.357 371 M C -1.496 174.318 176.300 -0.812 0.000 1.261 371 M CA -0.456 54.038 55.300 -1.344 0.000 1.106 371 M CB 1.549 33.181 32.600 -1.613 0.000 1.612 371 M HN 0.516 nan 8.290 nan 0.000 0.470 372 V N 7.380 126.857 119.914 -0.728 0.000 2.448 372 V HA 0.533 4.630 4.120 -0.039 0.000 0.295 372 V C -0.412 175.440 176.094 -0.403 0.000 1.025 372 V CA -0.566 61.452 62.300 -0.471 0.000 0.859 372 V CB 1.385 32.919 31.823 -0.481 0.000 0.988 372 V HN 0.775 nan 8.190 nan 0.000 0.431 373 I N 4.814 125.228 120.570 -0.259 0.000 2.410 373 I HA 0.611 4.758 4.170 -0.039 0.000 0.286 373 I C -0.069 176.030 176.117 -0.029 0.000 1.009 373 I CA -0.045 61.170 61.300 -0.143 0.000 1.111 373 I CB 1.873 39.788 38.000 -0.141 0.000 1.262 373 I HN 0.753 nan 8.210 nan 0.000 0.443 374 S N 6.017 121.706 115.700 -0.018 0.000 2.588 374 S HA 0.855 5.301 4.470 -0.039 0.000 0.275 374 S C -0.874 173.811 174.600 0.141 0.000 1.130 374 S CA -0.672 57.457 58.200 -0.119 0.000 0.855 374 S CB 2.505 65.350 63.200 -0.591 0.000 1.116 374 S HN 0.512 nan 8.310 nan 0.000 0.472 375 F N -0.611 119.303 119.950 -0.061 0.000 2.664 375 F HA 0.907 5.410 4.527 -0.039 0.000 0.317 375 F C -1.985 173.904 175.800 0.148 0.000 1.108 375 F CA -1.893 56.171 58.000 0.107 0.000 0.957 375 F CB 0.990 40.113 39.000 0.205 0.000 1.365 375 F HN 0.619 nan 8.300 nan 0.000 0.475 376 F N 0.656 120.622 119.950 0.027 0.000 2.561 376 F HA 0.614 5.118 4.527 -0.039 0.000 0.313 376 F C -0.284 175.642 175.800 0.209 0.000 1.126 376 F CA -0.383 57.627 58.000 0.018 0.000 0.918 376 F CB 2.287 41.328 39.000 0.069 0.000 1.199 376 F HN 0.893 nan 8.300 nan 0.000 0.444 377 T N 2.152 116.957 114.554 0.418 0.000 2.916 377 T HA 0.664 4.991 4.350 -0.039 0.000 0.292 377 T C -1.226 173.734 174.700 0.433 0.000 1.055 377 T CA -0.319 62.075 62.100 0.489 0.000 1.009 377 T CB 1.607 70.802 68.868 0.544 0.000 1.118 377 T HN 0.544 nan 8.240 nan 0.000 0.497 378 T N 4.273 119.052 114.554 0.374 0.000 2.881 378 T HA 0.551 4.878 4.350 -0.039 0.000 0.291 378 T C -0.916 173.862 174.700 0.130 0.000 0.990 378 T CA -0.560 61.670 62.100 0.218 0.000 0.976 378 T CB 0.523 69.498 68.868 0.179 0.000 0.970 378 T HN 0.434 nan 8.240 nan 0.000 0.438 379 I N 3.669 124.254 120.570 0.024 0.000 2.437 379 I HA 0.385 4.532 4.170 -0.039 0.000 0.279 379 I C 1.342 177.316 176.117 -0.237 0.000 1.028 379 I CA -0.025 61.191 61.300 -0.141 0.000 1.142 379 I CB 0.154 38.100 38.000 -0.089 0.000 1.266 379 I HN 0.926 nan 8.210 nan 0.000 0.461 380 G N 7.689 116.353 108.800 -0.226 0.000 2.672 380 G HA2 -0.342 3.595 3.960 -0.039 0.000 0.332 380 G HA3 -0.342 3.595 3.960 -0.039 0.000 0.332 380 G C 0.527 175.334 174.900 -0.155 0.000 1.213 380 G CA 0.778 45.803 45.100 -0.125 0.000 0.980 380 G HN 0.715 nan 8.290 nan 0.000 0.548 384 Y N 0.182 120.508 120.300 0.044 0.000 2.406 384 Y HA 0.681 5.208 4.550 -0.038 0.000 0.340 384 Y C 0.713 176.030 175.900 -0.972 0.000 0.975 384 Y CA -1.103 56.809 58.100 -0.313 0.000 1.056 384 Y CB 2.517 40.903 38.460 -0.123 0.000 1.210 384 Y HN 0.465 nan 8.280 nan 0.000 0.448 385 G N 2.412 110.435 108.800 -1.295 0.000 2.343 385 G HA2 0.563 4.500 3.960 -0.039 0.000 0.319 385 G HA3 0.563 4.500 3.960 -0.039 0.000 0.319 385 G C -1.587 172.859 174.900 -0.756 0.000 1.126 385 G CA -0.351 43.900 45.100 -1.415 0.000 0.889 385 G HN 0.356 nan 8.290 nan 0.000 0.457 386 F N 1.525 120.970 119.950 -0.842 0.000 2.402 386 F HA 0.462 4.966 4.527 -0.039 0.000 0.355 386 F C -0.705 174.703 175.800 -0.653 0.000 1.123 386 F CA -0.703 56.978 58.000 -0.530 0.000 1.021 386 F CB 1.854 40.668 39.000 -0.310 0.000 1.160 386 F HN 0.323 nan 8.300 nan 0.000 0.451 387 Y N 1.587 121.460 120.300 -0.712 0.000 2.350 387 Y HA 0.416 4.943 4.550 -0.039 0.000 0.338 387 Y C -1.088 174.110 175.900 -1.170 0.000 0.961 387 Y CA -1.428 56.197 58.100 -0.792 0.000 1.100 387 Y CB 1.306 39.242 38.460 -0.874 0.000 1.179 387 Y HN 0.499 nan 8.280 nan 0.000 0.454 388 W N 3.503 124.473 121.300 -0.550 0.000 2.520 388 W HA 0.612 5.249 4.660 -0.038 0.000 0.323 388 W C -1.372 174.712 176.519 -0.724 0.000 1.062 388 W CA -0.783 56.247 57.345 -0.525 0.000 1.215 388 W CB 0.997 30.318 29.460 -0.232 0.000 1.340 388 W HN 0.325 nan 8.180 nan 0.000 0.516 389 Y N 2.748 122.953 120.300 -0.159 0.000 2.425 389 Y HA 0.640 5.167 4.550 -0.039 0.000 0.344 389 Y C -0.301 175.302 175.900 -0.494 0.000 0.969 389 Y CA -1.597 56.220 58.100 -0.472 0.000 1.052 389 Y CB 1.180 39.245 38.460 -0.658 0.000 1.215 389 Y HN 0.069 nan 8.280 nan 0.000 0.451 390 L N 4.093 124.977 121.223 -0.565 0.000 2.349 390 L HA 0.529 4.846 4.340 -0.039 0.000 0.278 390 L C -1.194 175.470 176.870 -0.344 0.000 0.996 390 L CA -0.831 53.608 54.840 -0.668 0.000 0.825 390 L CB 1.231 42.567 42.059 -1.204 0.000 1.243 390 L HN 0.607 nan 8.230 nan 0.000 0.412 391 Y N 1.833 122.259 120.300 0.210 0.000 2.453 391 Y HA 0.314 4.841 4.550 -0.039 0.000 0.326 391 Y C 1.205 177.538 175.900 0.721 0.000 1.186 391 Y CA -0.735 57.605 58.100 0.400 0.000 1.200 391 Y CB 1.478 40.074 38.460 0.225 0.000 1.247 391 Y HN 0.441 nan 8.280 nan 0.000 0.482 392 L N 0.773 122.413 121.223 0.694 0.000 2.079 392 L HA -0.215 4.102 4.340 -0.039 0.000 0.210 392 L C 1.859 178.970 176.870 0.402 0.000 1.081 392 L CA 1.817 56.934 54.840 0.462 0.000 0.752 392 L CB -0.274 41.939 42.059 0.258 0.000 0.896 392 L HN 0.790 nan 8.230 nan 0.000 0.433 393 D N -0.643 119.974 120.400 0.363 0.000 2.349 393 D HA -0.044 4.573 4.640 -0.039 0.000 0.224 393 D C 1.388 177.782 176.300 0.157 0.000 1.029 393 D CA 0.945 55.047 54.000 0.169 0.000 0.879 393 D CB 0.535 41.410 40.800 0.126 0.000 0.906 393 D HN 0.381 nan 8.370 nan 0.000 0.528 394 G N 0.067 109.126 108.800 0.432 0.000 2.194 394 G HA2 -0.243 3.694 3.960 -0.039 0.000 0.236 394 G HA3 -0.243 3.694 3.960 -0.039 0.000 0.236 394 G C 0.441 175.820 174.900 0.799 0.000 0.987 394 G CA 0.210 45.605 45.100 0.491 0.000 0.635 394 G HN 0.428 nan 8.290 nan 0.000 0.520 395 T N 1.462 116.389 114.554 0.622 0.000 2.916 395 T HA 0.530 4.857 4.350 -0.039 0.000 0.303 395 T C 0.528 175.585 174.700 0.596 0.000 1.025 395 T CA 0.512 62.919 62.100 0.513 0.000 1.142 395 T CB 1.165 70.149 68.868 0.194 0.000 0.947 395 T HN 0.344 nan 8.240 nan 0.000 0.544 396 I N 2.697 123.543 120.570 0.461 0.000 2.406 396 I HA 0.451 4.597 4.170 -0.039 0.000 0.290 396 I C 0.160 176.422 176.117 0.241 0.000 0.999 396 I CA -0.588 60.882 61.300 0.282 0.000 1.124 396 I CB 1.787 39.920 38.000 0.222 0.000 1.289 396 I HN 0.592 nan 8.210 nan 0.000 0.441 397 E N 5.764 126.072 120.200 0.180 0.000 2.293 397 E HA 0.456 4.783 4.350 -0.039 0.000 0.270 397 E C -1.957 174.483 176.600 -0.267 0.000 0.879 397 E CA -0.671 55.732 56.400 0.006 0.000 0.756 397 E CB 2.589 32.435 29.700 0.243 0.000 1.208 397 E HN 0.426 nan 8.360 nan 0.000 0.428 398 F N 2.599 121.977 119.950 -0.953 0.000 2.469 398 F HA 0.474 4.978 4.527 -0.039 0.000 0.332 398 F C -0.855 174.417 175.800 -0.879 0.000 1.103 398 F CA -0.488 56.748 58.000 -1.272 0.000 0.979 398 F CB 1.614 39.487 39.000 -1.879 0.000 1.137 398 F HN 0.487 nan 8.300 nan 0.000 0.463 399 E N 4.164 123.310 120.200 -1.756 0.000 2.275 399 E HA 0.676 5.003 4.350 -0.039 0.000 0.270 399 E C -1.817 173.888 176.600 -1.493 0.000 0.882 399 E CA -1.029 54.657 56.400 -1.189 0.000 0.758 399 E CB 1.757 31.153 29.700 -0.506 0.000 1.195 399 E HN 0.830 nan 8.360 nan 0.000 0.419 400 A N 4.476 126.694 122.820 -1.004 0.000 2.292 400 A HA 0.495 4.792 4.320 -0.039 0.000 0.319 400 A C -0.721 176.589 177.584 -0.456 0.000 1.206 400 A CA -0.633 50.919 52.037 -0.808 0.000 0.835 400 A CB 0.686 19.091 19.000 -0.992 0.000 1.164 400 A HN 0.550 nan 8.150 nan 0.000 0.505 401 K N 1.830 122.013 120.400 -0.361 0.000 2.367 401 K HA 0.549 4.846 4.320 -0.039 0.000 0.263 401 K C -0.572 175.954 176.600 -0.123 0.000 1.000 401 K CA -0.245 55.927 56.287 -0.193 0.000 0.891 401 K CB 2.004 34.441 32.500 -0.105 0.000 1.117 401 K HN 0.728 nan 8.250 nan 0.000 0.443 402 A N 2.664 125.442 122.820 -0.071 0.000 2.260 402 A HA 0.522 4.819 4.320 -0.039 0.000 0.314 402 A C -0.063 177.460 177.584 -0.101 0.000 1.257 402 A CA -0.229 51.763 52.037 -0.076 0.000 0.871 402 A CB 1.177 20.085 19.000 -0.154 0.000 1.166 402 A HN 0.677 nan 8.150 nan 0.000 0.522 403 T N 0.953 115.434 114.554 -0.123 0.000 2.598 403 T HA 0.825 5.152 4.350 -0.039 0.000 0.289 403 T C 0.287 174.901 174.700 -0.143 0.000 1.056 403 T CA 0.968 63.024 62.100 -0.074 0.000 1.088 403 T CB 0.832 69.706 68.868 0.009 0.000 1.519 403 T HN 2.629 nan 8.240 nan 0.000 0.488 404 G N -0.213 108.503 108.800 -0.140 0.000 2.428 404 G HA2 0.082 4.019 3.960 -0.039 0.000 0.202 404 G HA3 0.082 4.019 3.960 -0.039 0.000 0.202 404 G C -1.297 173.482 174.900 -0.201 0.000 1.247 404 G CA -0.236 44.748 45.100 -0.193 0.000 1.020 404 G HN 1.261 nan 8.290 nan 0.000 0.529 405 V N 0.463 120.213 119.914 -0.274 0.000 2.435 405 V HA 0.618 4.715 4.120 -0.039 0.000 0.290 405 V C 1.135 177.125 176.094 -0.173 0.000 1.030 405 V CA -0.133 62.023 62.300 -0.239 0.000 0.881 405 V CB 1.317 32.903 31.823 -0.395 0.000 0.983 405 V HN 1.456 nan 8.190 nan 0.000 0.445 406 V N 5.731 125.696 119.914 0.084 0.000 2.763 406 V HA 0.154 4.251 4.120 -0.039 0.000 0.306 406 V C -0.188 175.963 176.094 0.095 0.000 1.059 406 V CA 0.212 62.609 62.300 0.161 0.000 1.138 406 V CB 0.648 32.629 31.823 0.264 0.000 0.940 406 V HN 0.675 nan 8.190 nan 0.000 0.489 407 F N 6.243 126.182 119.950 -0.018 0.000 2.456 407 F HA 0.503 5.010 4.527 -0.034 0.000 0.358 407 F C 0.770 176.642 175.800 0.121 0.000 1.095 407 F CA 0.386 58.393 58.000 0.012 0.000 1.216 407 F CB 0.970 39.954 39.000 -0.027 0.000 1.125 407 F HN 0.787 nan 8.300 nan 0.000 0.549 408 T N 1.744 116.241 114.554 -0.095 0.000 2.950 408 T HA 0.822 5.149 4.350 -0.039 0.000 0.288 408 T C -0.334 174.387 174.700 0.035 0.000 1.035 408 T CA -0.341 61.775 62.100 0.027 0.000 1.028 408 T CB 1.631 70.499 68.868 0.001 0.000 1.109 408 T HN 0.731 nan 8.240 nan 0.000 0.514 409 S N -0.157 115.537 115.700 -0.009 0.000 2.776 409 S HA 0.808 5.255 4.470 -0.039 0.000 0.292 409 S C -0.334 174.201 174.600 -0.108 0.000 1.187 409 S CA -0.820 57.330 58.200 -0.084 0.000 0.834 409 S CB 0.783 63.935 63.200 -0.080 0.000 1.199 409 S HN 1.405 nan 8.310 nan 0.000 0.514 410 A N 0.409 123.110 122.820 -0.198 0.000 2.386 410 A HA 0.618 4.915 4.320 -0.039 0.000 0.248 410 A C -0.675 176.906 177.584 -0.005 0.000 1.082 410 A CA -0.312 51.659 52.037 -0.110 0.000 0.789 410 A CB -0.376 18.519 19.000 -0.175 0.000 1.025 410 A HN 0.895 nan 8.150 nan 0.000 0.490 411 F N 3.042 122.951 119.950 -0.068 0.000 2.391 411 F HA 0.503 5.004 4.527 -0.043 0.000 0.359 411 F C -2.031 173.787 175.800 0.030 0.000 1.122 411 F CA -2.574 55.402 58.000 -0.040 0.000 1.120 411 F CB 0.858 39.834 39.000 -0.040 0.000 1.142 411 F HN 0.314 nan 8.300 nan 0.000 0.483 412 P HA 0.039 nan 4.420 nan 0.000 0.269 412 P C -1.150 175.975 177.300 -0.291 0.000 1.209 412 P CA -0.207 62.761 63.100 -0.219 0.000 0.776 412 P CB 0.340 31.899 31.700 -0.234 0.000 0.876 413 E N 1.010 121.153 120.200 -0.095 0.000 2.338 413 E HA 0.368 4.695 4.350 -0.039 0.000 0.272 413 E C 0.660 177.203 176.600 -0.095 0.000 1.029 413 E CA -0.403 55.960 56.400 -0.060 0.000 0.872 413 E CB -0.217 29.473 29.700 -0.017 0.000 1.015 413 E HN 0.714 nan 8.360 nan 0.000 0.417 414 G N 2.135 110.896 108.800 -0.065 0.000 2.157 414 G HA2 -0.097 3.840 3.960 -0.039 0.000 0.248 414 G HA3 -0.097 3.840 3.960 -0.039 0.000 0.248 414 G C 0.748 175.584 174.900 -0.107 0.000 0.979 414 G CA -0.034 45.030 45.100 -0.060 0.000 0.650 414 G HN 1.656 nan 8.290 nan 0.000 0.529 415 G N -1.617 107.033 108.800 -0.250 0.000 2.741 415 G HA2 0.376 4.313 3.960 -0.039 0.000 0.222 415 G HA3 0.376 4.313 3.960 -0.039 0.000 0.222 415 G C -0.093 174.588 174.900 -0.365 0.000 1.364 415 G CA 0.906 45.809 45.100 -0.328 0.000 0.866 415 G HN 2.257 nan 8.290 nan 0.000 0.555 416 S N -1.402 114.179 115.700 -0.197 0.000 2.542 416 S HA 0.540 4.987 4.470 -0.039 0.000 0.276 416 S C -0.148 174.428 174.600 -0.041 0.000 1.148 416 S CA 0.473 58.579 58.200 -0.157 0.000 0.886 416 S CB 1.541 64.588 63.200 -0.254 0.000 1.109 416 S HN 0.625 nan 8.310 nan 0.000 0.458 417 D N 2.659 123.035 120.400 -0.040 0.000 2.355 417 D HA 0.135 4.752 4.640 -0.039 0.000 0.218 417 D C 0.527 176.818 176.300 -0.016 0.000 1.004 417 D CA 0.644 54.668 54.000 0.040 0.000 0.880 417 D CB -0.014 40.817 40.800 0.051 0.000 0.911 417 D HN 0.605 nan 8.370 nan 0.000 0.528 418 N N -0.654 117.853 118.700 -0.323 0.000 2.160 418 N HA 0.274 4.991 4.740 -0.039 0.000 0.226 418 N C -0.367 174.393 175.510 -1.251 0.000 1.256 418 N CA -0.014 52.632 53.050 -0.674 0.000 0.890 418 N CB 1.702 40.045 38.487 -0.240 0.000 1.116 418 N HN -0.009 nan 8.380 nan 0.000 0.517 419 I N 0.227 120.197 120.570 -1.000 0.000 2.752 419 I HA 0.325 4.472 4.170 -0.039 0.000 0.295 419 I C -0.792 175.317 176.117 -0.014 0.000 1.219 419 I CA -0.907 60.117 61.300 -0.460 0.000 1.030 419 I CB 2.233 40.173 38.000 -0.099 0.000 1.259 419 I HN -0.052 nan 8.210 nan 0.000 0.423 420 S N 3.545 119.374 115.700 0.215 0.000 2.621 420 S HA 0.568 5.014 4.470 -0.039 0.000 0.302 420 S C -0.791 173.749 174.600 -0.100 0.000 1.093 420 S CA -0.821 57.515 58.200 0.227 0.000 1.017 420 S CB 2.085 65.475 63.200 0.318 0.000 1.077 420 S HN 0.661 nan 8.310 nan 0.000 0.517 421 Q N 0.504 119.973 119.800 -0.553 0.000 2.257 421 Q HA 0.495 4.812 4.340 -0.039 0.000 0.255 421 Q C -0.327 175.436 176.000 -0.394 0.000 0.920 421 Q CA -0.576 54.712 55.803 -0.860 0.000 0.927 421 Q CB 0.848 28.681 28.738 -1.509 0.000 1.229 421 Q HN 0.860 nan 8.270 nan 0.000 0.433 422 L N 2.060 123.073 121.223 -0.350 0.000 2.537 422 L HA 0.580 4.897 4.340 -0.039 0.000 0.224 422 L C 0.251 176.968 176.870 -0.256 0.000 1.065 422 L CA 0.096 54.768 54.840 -0.280 0.000 0.860 422 L CB 0.706 42.472 42.059 -0.490 0.000 1.086 422 L HN 0.657 nan 8.230 nan 0.000 0.482 423 A N -0.883 121.766 122.820 -0.286 0.000 2.586 423 A HA 0.600 4.897 4.320 -0.039 0.000 0.291 423 A C -2.824 174.683 177.584 -0.128 0.000 1.062 423 A CA -0.894 51.048 52.037 -0.158 0.000 0.666 423 A CB 0.356 19.261 19.000 -0.159 0.000 1.281 423 A HN -0.237 nan 8.150 nan 0.000 0.421 424 P HA 0.306 nan 4.420 nan 0.000 0.260 424 P C 1.085 178.395 177.300 0.017 0.000 1.185 424 P CA 2.280 65.377 63.100 -0.006 0.000 0.763 424 P CB 0.432 32.146 31.700 0.024 0.000 0.776 425 G N 2.204 111.043 108.800 0.066 0.000 2.189 425 G HA2 -0.280 3.657 3.960 -0.039 0.000 0.267 425 G HA3 -0.280 3.657 3.960 -0.039 0.000 0.267 425 G C -0.168 174.780 174.900 0.081 0.000 0.975 425 G CA -0.012 45.157 45.100 0.114 0.000 0.644 425 G HN 0.572 nan 8.290 nan 0.000 0.537 426 L N 1.650 122.854 121.223 -0.031 0.000 2.272 426 L HA 0.800 5.116 4.340 -0.039 0.000 0.289 426 L C 0.667 177.449 176.870 -0.146 0.000 1.032 426 L CA 0.138 54.893 54.840 -0.141 0.000 0.810 426 L CB 1.212 43.068 42.059 -0.339 0.000 1.205 426 L HN 0.381 nan 8.230 nan 0.000 0.422 427 G N 3.314 112.083 108.800 -0.052 0.000 2.537 427 G HA2 0.786 4.723 3.960 -0.039 0.000 0.323 427 G HA3 0.786 4.723 3.960 -0.039 0.000 0.323 427 G C -1.649 173.240 174.900 -0.018 0.000 1.207 427 G CA -0.349 44.774 45.100 0.038 0.000 0.976 427 G HN 0.944 nan 8.290 nan 0.000 0.487 428 A N 1.470 124.322 122.820 0.053 0.000 2.457 428 A HA 0.756 5.053 4.320 -0.039 0.000 0.283 428 A C -2.824 174.872 177.584 0.186 0.000 1.166 428 A CA -1.331 50.776 52.037 0.117 0.000 0.740 428 A CB 1.644 20.704 19.000 0.100 0.000 1.181 428 A HN 0.418 nan 8.150 nan 0.000 0.446 429 P HA 0.244 nan 4.420 nan 0.000 0.268 429 P C -0.401 177.121 177.300 0.370 0.000 1.205 429 P CA 0.129 63.340 63.100 0.185 0.000 0.771 429 P CB 0.195 32.035 31.700 0.233 0.000 0.858 430 F N 2.942 122.958 119.950 0.111 0.000 2.506 430 F HA 0.213 4.718 4.527 -0.037 0.000 0.351 430 F C 1.651 177.342 175.800 -0.181 0.000 1.136 430 F CA 0.538 58.489 58.000 -0.082 0.000 1.298 430 F CB -0.519 38.437 39.000 -0.073 0.000 1.145 430 F HN 0.500 nan 8.300 nan 0.000 0.593 431 H N -0.214 118.656 119.070 -0.332 0.000 2.932 431 H HA 0.486 5.019 4.556 -0.038 0.000 0.307 431 H C -1.814 173.200 175.328 -0.523 0.000 1.391 431 H CA -1.115 54.547 56.048 -0.643 0.000 1.130 431 H CB 1.320 30.274 29.762 -1.347 0.000 1.836 431 H HN 0.588 nan 8.280 nan 0.000 0.522 432 Q N 0.246 119.755 119.800 -0.486 0.000 2.399 432 Q HA 0.399 4.716 4.340 -0.039 0.000 0.276 432 Q C -0.983 174.769 176.000 -0.414 0.000 1.098 432 Q CA -0.985 54.589 55.803 -0.381 0.000 0.827 432 Q CB 2.836 31.404 28.738 -0.283 0.000 1.386 432 Q HN 0.537 nan 8.270 nan 0.000 0.443 433 H N 1.291 120.273 119.070 -0.147 0.000 2.800 433 H HA 0.483 5.015 4.556 -0.039 0.000 0.322 433 H C -0.875 174.224 175.328 -0.382 0.000 0.979 433 H CA -0.294 55.612 56.048 -0.237 0.000 1.277 433 H CB 0.993 30.707 29.762 -0.080 0.000 1.484 433 H HN 0.444 nan 8.280 nan 0.000 0.512 434 I N 3.916 124.207 120.570 -0.465 0.000 2.498 434 I HA 0.262 4.409 4.170 -0.039 0.000 0.290 434 I C -0.786 174.988 176.117 -0.572 0.000 1.032 434 I CA -0.658 60.406 61.300 -0.393 0.000 1.073 434 I CB 1.556 39.404 38.000 -0.253 0.000 1.251 434 I HN 0.247 nan 8.210 nan 0.000 0.426 435 F N 2.951 122.642 119.950 -0.432 0.000 2.492 435 F HA 0.493 4.997 4.527 -0.038 0.000 0.327 435 F C 0.573 176.193 175.800 -0.300 0.000 1.079 435 F CA -0.789 56.910 58.000 -0.502 0.000 0.967 435 F CB 1.940 40.267 39.000 -1.121 0.000 1.169 435 F HN 0.258 nan 8.300 nan 0.000 0.472 436 S N 1.601 117.347 115.700 0.077 0.000 2.530 436 S HA 0.782 5.229 4.470 -0.039 0.000 0.322 436 S C -0.706 174.007 174.600 0.187 0.000 1.085 436 S CA -0.541 57.727 58.200 0.113 0.000 1.096 436 S CB 0.430 63.514 63.200 -0.193 0.000 0.988 436 S HN 0.792 nan 8.310 nan 0.000 0.466 437 A N 4.990 127.978 122.820 0.279 0.000 2.274 437 A HA 0.621 4.918 4.320 -0.039 0.000 0.309 437 A C 0.108 177.733 177.584 0.069 0.000 1.226 437 A CA -0.678 51.488 52.037 0.214 0.000 0.853 437 A CB 0.417 19.539 19.000 0.203 0.000 1.146 437 A HN 0.850 nan 8.150 nan 0.000 0.518 438 R N 3.321 123.798 120.500 -0.039 0.000 2.265 438 R HA 0.573 4.890 4.340 -0.039 0.000 0.328 438 R C -1.677 174.451 176.300 -0.288 0.000 0.969 438 R CA -0.388 55.493 56.100 -0.365 0.000 0.832 438 R CB 0.452 30.421 30.300 -0.552 0.000 1.139 438 R HN 0.720 nan 8.270 nan 0.000 0.457 439 L N 4.409 125.446 121.223 -0.310 0.000 2.353 439 L HA 0.279 4.596 4.340 -0.039 0.000 0.270 439 L C -0.640 176.104 176.870 -0.210 0.000 1.003 439 L CA -0.923 53.810 54.840 -0.178 0.000 0.862 439 L CB 1.583 43.603 42.059 -0.066 0.000 1.221 439 L HN 0.541 nan 8.230 nan 0.000 0.430 440 D N 4.775 125.062 120.400 -0.189 0.000 2.393 440 D HA 0.215 4.832 4.640 -0.039 0.000 0.232 440 D C 0.060 176.319 176.300 -0.069 0.000 1.192 440 D CA -0.269 53.664 54.000 -0.112 0.000 0.882 440 D CB 0.703 41.456 40.800 -0.079 0.000 1.038 440 D HN 0.130 nan 8.370 nan 0.000 0.499 441 M N 2.499 122.076 119.600 -0.040 0.000 2.242 441 M HA 0.395 4.852 4.480 -0.039 0.000 0.344 441 M C 0.307 176.569 176.300 -0.064 0.000 1.140 441 M CA -0.521 54.750 55.300 -0.049 0.000 1.160 441 M CB 0.907 33.501 32.600 -0.010 0.000 1.491 441 M HN 0.522 nan 8.290 nan 0.000 0.459 442 A N 3.888 126.609 122.820 -0.165 0.000 3.292 442 A HA 0.384 4.681 4.320 -0.039 0.000 0.231 442 A C -0.337 177.118 177.584 -0.215 0.000 0.952 442 A CA -0.528 51.310 52.037 -0.332 0.000 1.044 442 A CB 0.095 18.730 19.000 -0.607 0.000 1.236 442 A HN 0.617 nan 8.150 nan 0.000 0.525 443 I N 1.674 122.191 120.570 -0.088 0.000 2.691 443 I HA 0.034 4.181 4.170 -0.039 0.000 0.288 443 I C 0.298 176.465 176.117 0.084 0.000 1.143 443 I CA 0.818 62.141 61.300 0.038 0.000 1.364 443 I CB -0.958 37.108 38.000 0.109 0.000 1.435 443 I HN 0.467 nan 8.210 nan 0.000 0.551 444 D N 5.257 125.740 120.400 0.139 0.000 2.751 444 D HA -0.162 4.455 4.640 -0.039 0.000 0.233 444 D C 0.770 177.034 176.300 -0.062 0.000 1.149 444 D CA 1.651 55.667 54.000 0.027 0.000 0.682 444 D CB -0.704 40.070 40.800 -0.043 0.000 1.068 444 D HN 1.126 nan 8.370 nan 0.000 0.429 445 G N -1.904 106.797 108.800 -0.165 0.000 2.483 445 G HA2 -0.170 3.766 3.960 -0.039 0.000 0.521 445 G HA3 -0.170 3.766 3.960 -0.039 0.000 0.521 445 G C 0.304 175.024 174.900 -0.300 0.000 1.278 445 G CA -0.316 44.612 45.100 -0.286 0.000 0.965 445 G HN 0.098 nan 8.290 nan 0.000 0.504 446 F N 0.820 120.762 119.950 -0.012 0.000 2.698 446 F HA 0.253 4.757 4.527 -0.039 0.000 0.295 446 F C 2.214 178.012 175.800 -0.004 0.000 1.124 446 F CA 1.070 59.055 58.000 -0.025 0.000 1.426 446 F CB 0.395 39.365 39.000 -0.050 0.000 1.120 446 F HN 0.305 nan 8.300 nan 0.000 0.583 447 T N 2.456 117.104 114.554 0.156 0.000 2.978 447 T HA 0.137 4.464 4.350 -0.039 0.000 0.278 447 T C -0.108 174.642 174.700 0.083 0.000 0.945 447 T CA 0.028 62.193 62.100 0.108 0.000 1.070 447 T CB -0.798 68.116 68.868 0.077 0.000 0.948 447 T HN 0.200 nan 8.240 nan 0.000 0.617 448 N N 1.970 120.725 118.700 0.092 0.000 2.381 448 N HA 0.711 5.428 4.740 -0.039 0.000 0.294 448 N C -0.453 175.107 175.510 0.084 0.000 1.216 448 N CA -1.139 51.959 53.050 0.081 0.000 0.803 448 N CB 2.146 40.680 38.487 0.079 0.000 1.372 448 N HN 0.344 nan 8.380 nan 0.000 0.500 449 R N 0.744 121.294 120.500 0.083 0.000 2.707 449 R HA 0.547 4.864 4.340 -0.039 0.000 0.272 449 R C -2.128 174.229 176.300 0.097 0.000 1.011 449 R CA -0.539 55.613 56.100 0.085 0.000 0.893 449 R CB 1.662 32.007 30.300 0.074 0.000 1.233 449 R HN 0.290 nan 8.270 nan 0.000 0.464 450 V N 2.404 122.382 119.914 0.107 0.000 2.540 450 V HA 0.429 4.526 4.120 -0.039 0.000 0.302 450 V C -0.680 175.498 176.094 0.140 0.000 1.035 450 V CA -0.725 61.654 62.300 0.132 0.000 0.873 450 V CB 1.794 33.702 31.823 0.141 0.000 0.992 450 V HN 0.785 nan 8.190 nan 0.000 0.428 451 E N 2.314 122.603 120.200 0.148 0.000 2.212 451 E HA 0.454 4.781 4.350 -0.039 0.000 0.268 451 E C -0.861 175.838 176.600 0.164 0.000 0.902 451 E CA -0.685 55.793 56.400 0.129 0.000 0.779 451 E CB 2.697 32.441 29.700 0.074 0.000 1.172 451 E HN 0.731 nan 8.360 nan 0.000 0.409 452 E N 2.384 122.668 120.200 0.140 0.000 2.167 452 E HA 0.066 4.393 4.350 -0.039 0.000 0.284 452 E C -1.015 175.517 176.600 -0.113 0.000 1.016 452 E CA -0.232 56.170 56.400 0.005 0.000 0.817 452 E CB 0.869 30.635 29.700 0.110 0.000 1.080 452 E HN 0.384 nan 8.360 nan 0.000 0.397 453 E N 4.202 124.255 120.200 -0.245 0.000 2.145 453 E HA 0.189 4.516 4.350 -0.039 0.000 0.270 453 E C -1.298 175.175 176.600 -0.213 0.000 0.906 453 E CA -0.816 55.478 56.400 -0.176 0.000 0.761 453 E CB 0.957 30.570 29.700 -0.145 0.000 1.116 453 E HN 0.417 nan 8.360 nan 0.000 0.408 454 D N 2.442 122.765 120.400 -0.129 0.000 2.342 454 D HA 0.256 4.873 4.640 -0.039 0.000 0.243 454 D C -0.502 175.765 176.300 -0.054 0.000 1.019 454 D CA -0.566 53.369 54.000 -0.108 0.000 0.864 454 D CB 2.141 42.894 40.800 -0.079 0.000 1.315 454 D HN 0.158 nan 8.370 nan 0.000 0.468 455 V N 1.309 121.197 119.914 -0.044 0.000 2.740 455 V HA 0.158 4.255 4.120 -0.039 0.000 0.303 455 V C 0.241 176.342 176.094 0.012 0.000 1.054 455 V CA -0.154 62.146 62.300 0.001 0.000 1.106 455 V CB 1.275 33.078 31.823 -0.033 0.000 0.957 455 V HN 0.253 nan 8.190 nan 0.000 0.486 456 V N 6.274 126.222 119.914 0.058 0.000 2.407 456 V HA 0.421 4.518 4.120 -0.039 0.000 0.291 456 V C 0.275 176.419 176.094 0.084 0.000 1.018 456 V CA -0.776 61.554 62.300 0.051 0.000 0.842 456 V CB 1.554 33.403 31.823 0.042 0.000 0.996 456 V HN 0.817 nan 8.190 nan 0.000 0.426 457 R N 3.656 124.186 120.500 0.051 0.000 2.490 457 R HA 0.529 4.846 4.340 -0.039 0.000 0.278 457 R C -0.536 175.799 176.300 0.057 0.000 1.069 457 R CA -0.408 55.728 56.100 0.060 0.000 1.080 457 R CB 1.029 31.341 30.300 0.022 0.000 1.030 457 R HN 0.664 nan 8.270 nan 0.000 0.491 458 Q N 0.584 120.425 119.800 0.069 0.000 2.365 458 Q HA 0.278 4.595 4.340 -0.039 0.000 0.269 458 Q C -0.827 175.194 176.000 0.036 0.000 1.061 458 Q CA -0.670 55.161 55.803 0.047 0.000 0.816 458 Q CB 2.668 31.433 28.738 0.046 0.000 1.325 458 Q HN 0.484 nan 8.270 nan 0.000 0.446 459 T N 2.101 116.669 114.554 0.024 0.000 2.897 459 T HA 0.229 4.556 4.350 -0.039 0.000 0.294 459 T C 0.129 174.840 174.700 0.017 0.000 1.004 459 T CA -0.385 61.726 62.100 0.018 0.000 1.106 459 T CB 0.502 69.377 68.868 0.013 0.000 0.949 459 T HN 0.480 nan 8.240 nan 0.000 0.520 460 M N 2.884 122.494 119.600 0.016 0.000 2.239 460 M HA 0.441 4.898 4.480 -0.039 0.000 0.348 460 M C 0.469 176.774 176.300 0.009 0.000 1.239 460 M CA 0.869 56.176 55.300 0.013 0.000 1.114 460 M CB -0.453 32.155 32.600 0.013 0.000 1.641 460 M HN 0.939 nan 8.290 nan 0.000 0.453 461 G N 4.430 113.235 108.800 0.007 0.000 2.345 461 G HA2 0.180 4.117 3.960 -0.039 0.000 0.285 461 G HA3 0.180 4.117 3.960 -0.039 0.000 0.285 461 G C -3.337 171.565 174.900 0.003 0.000 1.297 461 G CA -1.094 44.008 45.100 0.005 0.000 0.875 461 G HN 0.441 nan 8.290 nan 0.000 0.506 462 P HA 0.264 nan 4.420 nan 0.000 0.258 462 P C 1.089 178.388 177.300 -0.001 0.000 1.172 462 P CA 2.097 65.197 63.100 0.000 0.000 0.762 462 P CB 0.481 32.181 31.700 0.000 0.000 0.764 463 G N 3.012 111.810 108.800 -0.003 0.000 2.213 463 G HA2 -0.258 3.679 3.960 -0.039 0.000 0.236 463 G HA3 -0.258 3.679 3.960 -0.039 0.000 0.236 463 G C 0.411 175.307 174.900 -0.006 0.000 0.991 463 G CA 0.256 45.353 45.100 -0.005 0.000 0.629 463 G HN 0.668 nan 8.290 nan 0.000 0.517 464 N N 0.202 118.901 118.700 -0.002 0.000 2.620 464 N HA 0.356 5.073 4.740 -0.039 0.000 0.277 464 N C 0.835 176.348 175.510 0.004 0.000 1.726 464 N CA 0.335 53.385 53.050 0.000 0.000 0.840 464 N CB 0.476 38.966 38.487 0.005 0.000 1.379 464 N HN 0.183 nan 8.380 nan 0.000 0.506 465 E N -0.092 120.110 120.200 0.002 0.000 2.268 465 E HA 0.059 4.385 4.350 -0.039 0.000 0.195 465 E C 1.177 177.781 176.600 0.006 0.000 0.995 465 E CA 0.958 57.361 56.400 0.004 0.000 0.836 465 E CB 0.165 29.866 29.700 0.002 0.000 0.763 465 E HN 0.356 nan 8.360 nan 0.000 0.491 466 R N -0.490 120.014 120.500 0.007 0.000 2.310 466 R HA 0.134 4.451 4.340 -0.039 0.000 0.202 466 R C 0.756 177.066 176.300 0.016 0.000 0.933 466 R CA 0.483 56.590 56.100 0.010 0.000 1.054 466 R CB 0.257 30.563 30.300 0.010 0.000 0.985 466 R HN 0.197 nan 8.270 nan 0.000 0.489 467 G N 2.481 111.292 108.800 0.018 0.000 2.341 467 G HA2 -0.307 3.630 3.960 -0.039 0.000 0.292 467 G HA3 -0.307 3.630 3.960 -0.039 0.000 0.292 467 G C 0.445 175.370 174.900 0.042 0.000 1.021 467 G CA 0.782 45.898 45.100 0.027 0.000 0.905 467 G HN 0.581 nan 8.290 nan 0.000 0.508 468 N N -0.589 118.137 118.700 0.044 0.000 2.322 468 N HA 0.352 5.069 4.740 -0.039 0.000 0.181 468 N C 1.098 176.666 175.510 0.097 0.000 1.088 468 N CA 0.701 53.793 53.050 0.070 0.000 0.885 468 N CB 0.038 38.554 38.487 0.048 0.000 1.013 468 N HN 0.942 nan 8.380 nan 0.000 0.472 469 A N 0.887 123.737 122.820 0.051 0.000 2.462 469 A HA 0.462 4.758 4.320 -0.039 0.000 0.243 469 A C -0.417 177.239 177.584 0.120 0.000 1.076 469 A CA -0.279 51.763 52.037 0.008 0.000 0.773 469 A CB -0.343 18.646 19.000 -0.018 0.000 1.010 469 A HN 0.464 nan 8.150 nan 0.000 0.493 470 F N 0.034 119.979 119.950 -0.009 0.000 2.645 470 F HA 0.837 5.341 4.527 -0.038 0.000 0.310 470 F C -0.252 175.541 175.800 -0.011 0.000 1.102 470 F CA -0.430 57.563 58.000 -0.010 0.000 0.952 470 F CB 1.047 40.041 39.000 -0.011 0.000 1.326 470 F HN 0.627 nan 8.300 nan 0.000 0.456 471 S N 0.336 116.151 115.700 0.191 0.000 3.144 471 S HA 0.877 5.324 4.470 -0.039 0.000 0.325 471 S C -1.571 173.107 174.600 0.130 0.000 1.161 471 S CA -0.785 57.455 58.200 0.066 0.000 0.920 471 S CB 1.529 64.737 63.200 0.014 0.000 1.340 471 S HN 1.119 nan 8.310 nan 0.000 0.681 472 R N 0.308 120.843 120.500 0.058 0.000 2.734 472 R HA 0.677 4.994 4.340 -0.039 0.000 0.271 472 R C -1.878 174.430 176.300 0.013 0.000 1.021 472 R CA -1.062 55.062 56.100 0.040 0.000 0.893 472 R CB 1.180 31.501 30.300 0.036 0.000 1.244 472 R HN 0.692 nan 8.270 nan 0.000 0.464 473 K N 1.039 121.438 120.400 -0.001 0.000 2.482 473 K HA 0.621 4.917 4.320 -0.039 0.000 0.257 473 K C -1.132 175.459 176.600 -0.016 0.000 0.969 473 K CA -1.232 55.052 56.287 -0.005 0.000 0.842 473 K CB 2.711 35.210 32.500 -0.002 0.000 1.359 473 K HN 0.619 nan 8.250 nan 0.000 0.441 474 R N 0.848 121.345 120.500 -0.006 0.000 2.575 474 R HA 0.373 4.690 4.340 -0.039 0.000 0.293 474 R C -1.272 175.036 176.300 0.013 0.000 0.983 474 R CA -0.919 55.179 56.100 -0.002 0.000 0.887 474 R CB 2.601 32.904 30.300 0.004 0.000 1.184 474 R HN 0.693 nan 8.270 nan 0.000 0.445 475 T N 2.135 116.703 114.554 0.024 0.000 2.791 475 T HA 0.233 4.559 4.350 -0.039 0.000 0.288 475 T C 0.084 174.820 174.700 0.060 0.000 0.999 475 T CA -0.639 61.484 62.100 0.038 0.000 0.952 475 T CB 1.618 70.510 68.868 0.039 0.000 0.938 475 T HN 0.148 nan 8.240 nan 0.000 0.444 476 V N 4.889 124.837 119.914 0.056 0.000 2.637 476 V HA 0.177 4.274 4.120 -0.039 0.000 0.296 476 V C 0.407 176.545 176.094 0.073 0.000 1.046 476 V CA -0.427 61.913 62.300 0.066 0.000 1.066 476 V CB 0.298 32.154 31.823 0.055 0.000 0.968 476 V HN 0.719 nan 8.190 nan 0.000 0.483 477 L N 5.479 126.756 121.223 0.089 0.000 2.268 477 L HA 0.267 4.584 4.340 -0.039 0.000 0.289 477 L C 1.451 178.366 176.870 0.076 0.000 1.064 477 L CA -0.159 54.732 54.840 0.085 0.000 0.824 477 L CB 0.853 42.973 42.059 0.102 0.000 1.202 477 L HN 0.921 nan 8.230 nan 0.000 0.433 478 T N -0.312 114.280 114.554 0.063 0.000 3.031 478 T HA 0.164 4.491 4.350 -0.039 0.000 0.254 478 T C 0.940 175.676 174.700 0.060 0.000 1.060 478 T CA 0.143 62.278 62.100 0.058 0.000 1.135 478 T CB 0.283 69.179 68.868 0.047 0.000 0.896 478 T HN 0.460 nan 8.240 nan 0.000 0.472 479 R N 0.285 120.821 120.500 0.059 0.000 2.771 479 R HA 0.429 4.746 4.340 -0.039 0.000 0.274 479 R C 0.328 176.669 176.300 0.069 0.000 0.987 479 R CA -0.719 55.418 56.100 0.061 0.000 0.908 479 R CB 1.613 31.943 30.300 0.050 0.000 1.213 479 R HN 0.089 nan 8.270 nan 0.000 0.468 480 E N 0.591 120.840 120.200 0.081 0.000 2.187 480 E HA -0.227 4.099 4.350 -0.039 0.000 0.199 480 E C 1.423 178.070 176.600 0.077 0.000 1.004 480 E CA 2.142 58.601 56.400 0.098 0.000 0.813 480 E CB 0.050 29.819 29.700 0.114 0.000 0.736 480 E HN 0.599 nan 8.360 nan 0.000 0.468 481 S N 1.004 116.739 115.700 0.057 0.000 2.447 481 S HA -0.172 4.275 4.470 -0.039 0.000 0.233 481 S C 1.605 176.217 174.600 0.019 0.000 1.006 481 S CA 1.243 59.466 58.200 0.038 0.000 0.957 481 S CB -0.257 62.962 63.200 0.032 0.000 0.773 481 S HN 0.466 nan 8.310 nan 0.000 0.507 482 E N 0.518 120.733 120.200 0.026 0.000 2.501 482 E HA 0.493 4.820 4.350 -0.039 0.000 0.200 482 E C 0.759 177.368 176.600 0.015 0.000 1.016 482 E CA 0.157 56.567 56.400 0.016 0.000 0.921 482 E CB 0.329 30.046 29.700 0.028 0.000 1.034 482 E HN 0.488 nan 8.360 nan 0.000 0.468 483 A N 1.091 123.920 122.820 0.015 0.000 2.610 483 A HA 0.339 4.636 4.320 -0.039 0.000 0.286 483 A C 0.040 177.576 177.584 -0.079 0.000 1.306 483 A CA -0.300 51.745 52.037 0.013 0.000 0.942 483 A CB 0.256 19.302 19.000 0.077 0.000 1.112 483 A HN 0.109 nan 8.150 nan 0.000 0.527 484 V N 2.443 122.242 119.914 -0.192 0.000 2.313 484 V HA 0.446 4.543 4.120 -0.039 0.000 0.278 484 V C -0.508 175.364 176.094 -0.370 0.000 1.017 484 V CA -0.698 61.306 62.300 -0.495 0.000 0.823 484 V CB 0.682 32.107 31.823 -0.663 0.000 1.010 484 V HN 0.482 nan 8.190 nan 0.000 0.443 485 R N 3.378 123.665 120.500 -0.355 0.000 2.803 485 R HA 0.649 4.966 4.340 -0.039 0.000 0.276 485 R C -0.250 176.002 176.300 -0.080 0.000 0.978 485 R CA -0.740 55.288 56.100 -0.119 0.000 0.939 485 R CB 2.324 32.648 30.300 0.039 0.000 1.179 485 R HN 0.904 nan 8.270 nan 0.000 0.472 486 E N 0.505 120.755 120.200 0.084 0.000 2.235 486 E HA 0.720 5.047 4.350 -0.039 0.000 0.265 486 E C -0.728 176.067 176.600 0.326 0.000 0.940 486 E CA -1.119 55.366 56.400 0.141 0.000 0.819 486 E CB 1.613 31.354 29.700 0.069 0.000 1.206 486 E HN 0.537 nan 8.360 nan 0.000 0.409 487 A N 1.365 124.378 122.820 0.322 0.000 2.406 487 A HA 0.215 4.512 4.320 -0.039 0.000 0.243 487 A C -0.272 177.406 177.584 0.156 0.000 1.082 487 A CA 0.041 52.275 52.037 0.328 0.000 0.786 487 A CB 0.278 19.452 19.000 0.290 0.000 1.029 487 A HN 0.700 nan 8.150 nan 0.000 0.495 488 D N 0.395 120.837 120.400 0.070 0.000 2.411 488 D HA 0.440 5.057 4.640 -0.039 0.000 0.239 488 D C 0.698 176.994 176.300 -0.006 0.000 1.307 488 D CA 0.263 54.277 54.000 0.023 0.000 0.930 488 D CB 0.703 41.501 40.800 -0.004 0.000 1.395 488 D HN 0.472 nan 8.370 nan 0.000 0.536 489 A N 3.285 126.120 122.820 0.025 0.000 1.940 489 A HA -0.178 4.119 4.320 -0.039 0.000 0.219 489 A C 2.064 179.642 177.584 -0.010 0.000 1.176 489 A CA 1.389 53.436 52.037 0.017 0.000 0.631 489 A CB -0.261 18.764 19.000 0.042 0.000 0.814 489 A HN 0.520 nan 8.150 nan 0.000 0.446 490 R N -0.239 120.255 120.500 -0.011 0.000 2.120 490 R HA -0.123 4.194 4.340 -0.039 0.000 0.234 490 R C 1.467 177.743 176.300 -0.040 0.000 1.123 490 R CA 1.885 57.972 56.100 -0.022 0.000 0.975 490 R CB -0.277 30.015 30.300 -0.014 0.000 0.866 490 R HN 0.613 nan 8.270 nan 0.000 0.446 491 T N -3.761 110.766 114.554 -0.046 0.000 3.215 491 T HA 0.259 4.586 4.350 -0.039 0.000 0.271 491 T C 0.788 175.441 174.700 -0.078 0.000 1.012 491 T CA 0.161 62.226 62.100 -0.059 0.000 0.899 491 T CB 0.897 69.734 68.868 -0.051 0.000 1.089 491 T HN 0.336 nan 8.240 nan 0.000 0.552 492 G N 2.363 111.119 108.800 -0.074 0.000 2.283 492 G HA2 -0.339 3.598 3.960 -0.039 0.000 0.280 492 G HA3 -0.339 3.598 3.960 -0.039 0.000 0.280 492 G C 0.043 174.855 174.900 -0.147 0.000 1.029 492 G CA 0.188 45.240 45.100 -0.080 0.000 0.840 492 G HN 0.891 nan 8.290 nan 0.000 0.505 493 R N 0.680 121.056 120.500 -0.207 0.000 2.484 493 R HA 0.426 4.743 4.340 -0.039 0.000 0.293 493 R C 0.975 176.899 176.300 -0.627 0.000 1.023 493 R CA 0.975 56.825 56.100 -0.417 0.000 1.037 493 R CB 0.217 30.250 30.300 -0.446 0.000 0.951 493 R HN 0.464 nan 8.270 nan 0.000 0.418 494 T N 0.743 114.855 114.554 -0.738 0.000 2.831 494 T HA 0.551 4.878 4.350 -0.039 0.000 0.287 494 T C -0.946 173.204 174.700 -0.916 0.000 1.070 494 T CA -0.942 60.704 62.100 -0.756 0.000 1.010 494 T CB 1.261 69.847 68.868 -0.471 0.000 1.264 494 T HN 0.553 nan 8.240 nan 0.000 0.532 495 W N 0.544 121.784 121.300 -0.099 0.000 2.839 495 W HA 0.596 5.233 4.660 -0.039 0.000 0.334 495 W C -1.213 175.280 176.519 -0.042 0.000 1.064 495 W CA -1.164 56.151 57.345 -0.050 0.000 1.236 495 W CB 1.616 31.056 29.460 -0.033 0.000 1.405 495 W HN 0.582 nan 8.180 nan 0.000 0.478 496 I N 4.117 124.780 120.570 0.156 0.000 2.354 496 I HA 0.293 4.439 4.170 -0.039 0.000 0.292 496 I C -0.314 175.887 176.117 0.141 0.000 0.989 496 I CA -0.950 60.418 61.300 0.115 0.000 1.188 496 I CB 1.361 39.398 38.000 0.063 0.000 1.342 496 I HN 0.077 nan 8.210 nan 0.000 0.457 497 I N 6.075 126.733 120.570 0.148 0.000 2.312 497 I HA 0.284 4.431 4.170 -0.039 0.000 0.290 497 I C 0.355 176.553 176.117 0.135 0.000 1.008 497 I CA 0.282 61.661 61.300 0.132 0.000 1.226 497 I CB 1.147 39.215 38.000 0.113 0.000 1.371 497 I HN 0.580 nan 8.210 nan 0.000 0.468 498 S N 4.105 119.873 115.700 0.112 0.000 2.677 498 S HA 0.587 5.034 4.470 -0.039 0.000 0.304 498 S C -0.617 174.035 174.600 0.087 0.000 1.108 498 S CA -0.927 57.337 58.200 0.106 0.000 0.944 498 S CB 1.935 65.184 63.200 0.082 0.000 1.127 498 S HN 0.515 nan 8.310 nan 0.000 0.511 499 N N 1.733 120.478 118.700 0.075 0.000 2.558 499 N HA 0.379 5.096 4.740 -0.039 0.000 0.242 499 N C -2.061 173.469 175.510 0.034 0.000 0.979 499 N CA -2.321 50.760 53.050 0.051 0.000 0.931 499 N CB 1.520 40.030 38.487 0.038 0.000 1.122 499 N HN 0.361 nan 8.380 nan 0.000 0.508 500 P HA -0.034 nan 4.420 nan 0.000 0.228 500 P C -0.024 177.285 177.300 0.015 0.000 1.151 500 P CA 1.097 64.213 63.100 0.027 0.000 0.770 500 P CB 0.502 32.221 31.700 0.033 0.000 0.786 501 E N -1.076 119.131 120.200 0.012 0.000 2.498 501 E HA 0.128 4.455 4.350 -0.039 0.000 0.203 501 E C 0.191 176.784 176.600 -0.013 0.000 1.013 501 E CA -0.092 56.310 56.400 0.003 0.000 0.927 501 E CB 0.439 30.146 29.700 0.011 0.000 1.012 501 E HN -0.021 nan 8.360 nan 0.000 0.482 502 S N 1.491 117.177 115.700 -0.024 0.000 2.566 502 S HA 0.262 4.709 4.470 -0.039 0.000 0.324 502 S C -0.786 173.773 174.600 -0.069 0.000 1.081 502 S CA -0.802 57.365 58.200 -0.056 0.000 1.105 502 S CB 0.292 63.446 63.200 -0.078 0.000 0.981 502 S HN -0.098 nan 8.310 nan 0.000 0.464 503 K N 3.432 123.791 120.400 -0.067 0.000 2.156 503 K HA 0.366 4.663 4.320 -0.039 0.000 0.254 503 K C 0.085 176.633 176.600 -0.087 0.000 0.950 503 K CA -0.789 55.461 56.287 -0.063 0.000 0.849 503 K CB 1.223 33.700 32.500 -0.039 0.000 1.100 503 K HN 0.831 nan 8.250 nan 0.000 0.434 504 N N 0.525 119.173 118.700 -0.086 0.000 2.322 504 N HA 0.039 4.756 4.740 -0.039 0.000 0.270 504 N C 0.865 176.343 175.510 -0.055 0.000 1.286 504 N CA -0.316 52.680 53.050 -0.090 0.000 0.948 504 N CB 0.328 38.765 38.487 -0.082 0.000 1.164 504 N HN 0.530 nan 8.380 nan 0.000 0.551 505 R N -0.708 119.766 120.500 -0.043 0.000 2.193 505 R HA -0.012 4.305 4.340 -0.039 0.000 0.229 505 R C 0.707 176.994 176.300 -0.022 0.000 1.110 505 R CA 1.178 57.261 56.100 -0.028 0.000 0.988 505 R CB -0.800 29.489 30.300 -0.019 0.000 0.871 505 R HN 0.560 nan 8.270 nan 0.000 0.458 506 L N 1.164 122.375 121.223 -0.021 0.000 2.629 506 L HA 0.155 4.471 4.340 -0.039 0.000 0.230 506 L C -0.005 176.855 176.870 -0.017 0.000 1.151 506 L CA -0.143 54.687 54.840 -0.017 0.000 0.924 506 L CB -0.615 41.436 42.059 -0.013 0.000 1.137 506 L HN 0.271 nan 8.230 nan 0.000 0.457 507 N N 1.108 119.796 118.700 -0.021 0.000 2.741 507 N HA -0.190 4.527 4.740 -0.039 0.000 0.250 507 N C -0.332 175.169 175.510 -0.016 0.000 1.115 507 N CA 0.714 53.753 53.050 -0.019 0.000 0.724 507 N CB -0.484 37.995 38.487 -0.014 0.000 1.090 507 N HN 0.410 nan 8.380 nan 0.000 0.558 508 E N -0.196 119.992 120.200 -0.019 0.000 2.195 508 E HA 0.406 4.733 4.350 -0.039 0.000 0.271 508 E C -2.471 174.118 176.600 -0.018 0.000 0.923 508 E CA -1.845 54.547 56.400 -0.013 0.000 0.790 508 E CB 1.095 30.790 29.700 -0.009 0.000 1.155 508 E HN 0.148 nan 8.360 nan 0.000 0.402 509 P HA -0.065 nan 4.420 nan 0.000 0.264 509 P C 0.022 177.324 177.300 0.003 0.000 1.193 509 P CA -0.096 63.003 63.100 -0.002 0.000 0.763 509 P CB 0.311 32.021 31.700 0.017 0.000 0.810 510 V N 1.852 121.755 119.914 -0.019 0.000 2.872 510 V HA 0.683 4.780 4.120 -0.039 0.000 0.307 510 V C 0.547 176.726 176.094 0.141 0.000 1.072 510 V CA 0.306 62.606 62.300 0.001 0.000 1.148 510 V CB 0.111 31.829 31.823 -0.174 0.000 0.954 510 V HN 0.745 nan 8.190 nan 0.000 0.490 511 G N 2.400 111.339 108.800 0.233 0.000 2.646 511 G HA2 0.589 4.526 3.960 -0.039 0.000 0.291 511 G HA3 0.589 4.526 3.960 -0.039 0.000 0.291 511 G C -2.267 172.766 174.900 0.222 0.000 1.445 511 G CA -0.743 44.495 45.100 0.228 0.000 0.814 511 G HN 0.762 nan 8.290 nan 0.000 0.495 512 Y N 0.008 120.334 120.300 0.044 0.000 2.425 512 Y HA 0.619 5.146 4.550 -0.039 0.000 0.344 512 Y C 0.222 176.152 175.900 0.051 0.000 0.969 512 Y CA -0.763 57.348 58.100 0.018 0.000 1.052 512 Y CB 2.779 41.216 38.460 -0.038 0.000 1.215 512 Y HN 0.501 nan 8.280 nan 0.000 0.451 513 K N 3.861 124.343 120.400 0.136 0.000 2.235 513 K HA 0.528 4.825 4.320 -0.039 0.000 0.266 513 K C -1.658 174.988 176.600 0.078 0.000 0.980 513 K CA -0.873 55.444 56.287 0.049 0.000 0.849 513 K CB 0.978 33.446 32.500 -0.054 0.000 1.098 513 K HN 0.613 nan 8.250 nan 0.000 0.445 514 L N 5.464 126.720 121.223 0.054 0.000 2.265 514 L HA 0.277 4.594 4.340 -0.039 0.000 0.288 514 L C -1.144 175.718 176.870 -0.013 0.000 1.058 514 L CA 0.074 54.984 54.840 0.116 0.000 0.809 514 L CB 0.616 42.751 42.059 0.128 0.000 1.179 514 L HN 0.647 nan 8.230 nan 0.000 0.429 515 H N 5.342 124.518 119.070 0.176 0.000 2.541 515 H HA 0.586 5.119 4.556 -0.039 0.000 0.316 515 H C -0.287 175.175 175.328 0.224 0.000 1.043 515 H CA -0.417 55.730 56.048 0.164 0.000 1.232 515 H CB 1.484 31.329 29.762 0.138 0.000 1.406 515 H HN 0.859 nan 8.280 nan 0.000 0.469 516 A N 2.587 125.600 122.820 0.322 0.000 2.252 516 A HA 0.216 4.513 4.320 -0.039 0.000 0.305 516 A C 0.578 178.466 177.584 0.507 0.000 1.097 516 A CA -0.536 51.733 52.037 0.385 0.000 0.849 516 A CB 0.552 19.809 19.000 0.428 0.000 1.142 516 A HN 0.911 nan 8.150 nan 0.000 0.499 517 H N 0.400 119.651 119.070 0.301 0.000 2.551 517 H HA 0.005 4.537 4.556 -0.039 0.000 0.266 517 H C -0.128 175.321 175.328 0.201 0.000 0.964 517 H CA 0.276 56.455 56.048 0.219 0.000 1.180 517 H CB 0.215 30.102 29.762 0.208 0.000 1.408 517 H HN 0.745 nan 8.280 nan 0.000 0.563 518 N N 1.732 120.656 118.700 0.374 0.000 2.747 518 N HA -0.158 4.559 4.740 -0.039 0.000 0.249 518 N C -0.574 175.068 175.510 0.220 0.000 1.107 518 N CA 0.504 53.718 53.050 0.273 0.000 0.707 518 N CB -0.975 37.632 38.487 0.200 0.000 1.054 518 N HN 0.475 nan 8.380 nan 0.000 0.555 519 Q N 0.034 119.984 119.800 0.249 0.000 2.417 519 Q HA 0.301 4.618 4.340 -0.039 0.000 0.241 519 Q C -1.770 174.317 176.000 0.144 0.000 1.008 519 Q CA -0.894 55.021 55.803 0.188 0.000 0.901 519 Q CB -0.014 28.851 28.738 0.211 0.000 1.259 519 Q HN 0.152 nan 8.270 nan 0.000 0.489 520 P HA -0.016 nan 4.420 nan 0.000 0.266 520 P C -0.067 177.262 177.300 0.048 0.000 1.195 520 P CA 0.250 63.390 63.100 0.067 0.000 0.768 520 P CB 0.397 32.124 31.700 0.045 0.000 0.838 521 T N 0.435 115.010 114.554 0.036 0.000 2.914 521 T HA 0.305 4.632 4.350 -0.039 0.000 0.313 521 T C 0.285 174.956 174.700 -0.049 0.000 1.137 521 T CA -0.794 61.307 62.100 0.001 0.000 0.946 521 T CB 0.012 68.894 68.868 0.022 0.000 1.558 521 T HN 0.193 nan 8.240 nan 0.000 0.565 522 L N 0.947 122.117 121.223 -0.088 0.000 2.462 522 L HA 0.278 4.595 4.340 -0.039 0.000 0.272 522 L C 0.733 177.557 176.870 -0.076 0.000 1.166 522 L CA 0.048 54.816 54.840 -0.121 0.000 0.880 522 L CB -0.335 41.622 42.059 -0.170 0.000 1.142 522 L HN 0.646 nan 8.230 nan 0.000 0.473 523 L N 4.946 126.124 121.223 -0.073 0.000 2.375 523 L HA 0.249 4.565 4.340 -0.039 0.000 0.215 523 L C 1.399 178.253 176.870 -0.027 0.000 1.108 523 L CA 0.215 55.033 54.840 -0.037 0.000 0.830 523 L CB -0.497 41.545 42.059 -0.027 0.000 0.959 523 L HN 0.833 nan 8.230 nan 0.000 0.457 524 A N 0.763 123.557 122.820 -0.042 0.000 2.555 524 A HA -0.116 4.180 4.320 -0.039 0.000 0.233 524 A C 0.315 177.891 177.584 -0.014 0.000 1.060 524 A CA -0.053 51.969 52.037 -0.024 0.000 0.759 524 A CB -0.089 18.893 19.000 -0.031 0.000 0.995 524 A HN 0.279 nan 8.150 nan 0.000 0.506 525 D N 2.285 122.685 120.400 0.000 0.000 2.525 525 D HA -0.001 4.616 4.640 -0.039 0.000 0.235 525 D C -1.156 175.141 176.300 -0.005 0.000 1.137 525 D CA -0.767 53.234 54.000 0.003 0.000 0.868 525 D CB 0.835 41.642 40.800 0.011 0.000 1.180 525 D HN 0.276 nan 8.370 nan 0.000 0.465 526 P HA -0.063 nan 4.420 nan 0.000 0.225 526 P C 1.086 178.379 177.300 -0.013 0.000 1.148 526 P CA 0.727 63.820 63.100 -0.011 0.000 0.779 526 P CB 0.077 31.772 31.700 -0.008 0.000 0.780 527 G N 0.158 108.953 108.800 -0.008 0.000 2.920 527 G HA2 -0.029 3.907 3.960 -0.039 0.000 0.208 527 G HA3 -0.029 3.907 3.960 -0.039 0.000 0.208 527 G C 0.667 175.560 174.900 -0.011 0.000 1.159 527 G CA 0.133 45.228 45.100 -0.010 0.000 0.784 527 G HN 0.454 nan 8.290 nan 0.000 0.535 528 S N -0.456 115.241 115.700 -0.006 0.000 2.585 528 S HA 0.261 4.708 4.470 -0.039 0.000 0.273 528 S C 1.605 176.187 174.600 -0.030 0.000 1.339 528 S CA 0.473 58.677 58.200 0.006 0.000 1.028 528 S CB 1.666 64.880 63.200 0.023 0.000 0.906 528 S HN 0.099 nan 8.310 nan 0.000 0.528 529 S N 1.308 116.978 115.700 -0.050 0.000 2.370 529 S HA -0.156 4.291 4.470 -0.039 0.000 0.226 529 S C 1.614 176.147 174.600 -0.112 0.000 1.033 529 S CA 1.338 59.436 58.200 -0.170 0.000 1.011 529 S CB -0.771 62.150 63.200 -0.465 0.000 0.852 529 S HN 0.733 nan 8.310 nan 0.000 0.457 530 I N 1.727 122.281 120.570 -0.026 0.000 2.439 530 I HA 0.105 4.252 4.170 -0.039 0.000 0.251 530 I C 2.318 178.421 176.117 -0.024 0.000 1.139 530 I CA 1.139 62.447 61.300 0.013 0.000 1.438 530 I CB -0.779 37.242 38.000 0.035 0.000 1.085 530 I HN 0.321 nan 8.210 nan 0.000 0.427 531 A N 0.367 123.163 122.820 -0.041 0.000 1.972 531 A HA -0.188 4.109 4.320 -0.039 0.000 0.219 531 A C 2.432 179.984 177.584 -0.054 0.000 1.169 531 A CA 1.555 53.559 52.037 -0.054 0.000 0.635 531 A CB -0.543 18.433 19.000 -0.039 0.000 0.810 531 A HN 0.448 nan 8.150 nan 0.000 0.446 532 R N -1.027 119.437 120.500 -0.061 0.000 2.080 532 R HA 0.051 4.368 4.340 -0.039 0.000 0.222 532 R C 2.340 178.586 176.300 -0.090 0.000 1.107 532 R CA 1.053 57.105 56.100 -0.080 0.000 0.980 532 R CB -0.223 30.016 30.300 -0.103 0.000 0.879 532 R HN 0.440 nan 8.270 nan 0.000 0.439 533 R N 0.352 120.810 120.500 -0.070 0.000 2.148 533 R HA 0.045 4.362 4.340 -0.039 0.000 0.223 533 R C 0.928 177.293 176.300 0.108 0.000 1.088 533 R CA 1.119 57.187 56.100 -0.054 0.000 0.985 533 R CB 0.183 30.459 30.300 -0.040 0.000 0.880 533 R HN 0.062 nan 8.270 nan 0.000 0.451 534 A N 0.176 123.068 122.820 0.120 0.000 3.041 534 A HA 0.496 4.793 4.320 -0.039 0.000 0.307 534 A C 1.182 178.630 177.584 -0.227 0.000 1.116 534 A CA -0.045 52.008 52.037 0.026 0.000 1.001 534 A CB 0.237 19.159 19.000 -0.131 0.000 1.112 534 A HN 0.248 nan 8.150 nan 0.000 0.556 535 A N 0.481 123.256 122.820 -0.074 0.000 1.948 535 A HA -0.092 4.205 4.320 -0.039 0.000 0.220 535 A C 1.829 179.419 177.584 0.011 0.000 1.177 535 A CA 1.874 53.889 52.037 -0.037 0.000 0.636 535 A CB -1.000 17.985 19.000 -0.025 0.000 0.815 535 A HN 1.413 nan 8.150 nan 0.000 0.449 536 F N -0.000 119.831 119.950 -0.198 0.000 2.192 536 F HA -0.073 4.430 4.527 -0.039 0.000 0.301 536 F C 2.012 177.900 175.800 0.146 0.000 1.079 536 F CA 1.060 58.883 58.000 -0.295 0.000 1.303 536 F CB -0.869 37.837 39.000 -0.489 0.000 1.024 536 F HN 0.161 nan 8.300 nan 0.000 0.494 537 A N 0.362 122.644 122.820 -0.896 0.000 2.206 537 A HA 0.018 4.315 4.320 -0.039 0.000 0.211 537 A C 2.055 179.515 177.584 -0.206 0.000 1.158 537 A CA 1.135 52.760 52.037 -0.688 0.000 0.761 537 A CB -1.415 16.974 19.000 -1.019 0.000 0.801 537 A HN 0.572 nan 8.150 nan 0.000 0.473 538 T N -3.299 111.219 114.554 -0.060 0.000 3.100 538 T HA 0.207 4.533 4.350 -0.039 0.000 0.253 538 T C 0.544 175.269 174.700 0.041 0.000 1.118 538 T CA 0.202 62.301 62.100 -0.001 0.000 1.058 538 T CB 0.076 68.956 68.868 0.020 0.000 0.953 538 T HN 0.118 nan 8.240 nan 0.000 0.515 539 K N 0.866 121.340 120.400 0.123 0.000 2.502 539 K HA 0.359 4.656 4.320 -0.039 0.000 0.257 539 K C -0.687 175.981 176.600 0.113 0.000 0.938 539 K CA -0.458 55.832 56.287 0.005 0.000 0.819 539 K CB 2.252 34.539 32.500 -0.355 0.000 1.333 539 K HN -0.070 nan 8.250 nan 0.000 0.434 540 D N 0.372 120.800 120.400 0.046 0.000 2.194 540 D HA 0.002 4.619 4.640 -0.039 0.000 0.204 540 D C -0.082 176.280 176.300 0.102 0.000 0.964 540 D CA 0.750 54.827 54.000 0.129 0.000 0.846 540 D CB 0.342 41.258 40.800 0.193 0.000 0.962 540 D HN 0.103 nan 8.370 nan 0.000 0.490 541 L N -0.010 121.119 121.223 -0.157 0.000 2.470 541 L HA 0.430 4.747 4.340 -0.039 0.000 0.268 541 L C -1.960 174.780 176.870 -0.217 0.000 0.964 541 L CA -0.609 54.085 54.840 -0.243 0.000 0.839 541 L CB 1.380 42.844 42.059 -0.991 0.000 1.276 541 L HN -0.125 nan 8.230 nan 0.000 0.403 542 W N 4.317 125.612 121.300 -0.008 0.000 2.736 542 W HA 0.770 5.407 4.660 -0.039 0.000 0.335 542 W C -1.073 175.560 176.519 0.190 0.000 1.059 542 W CA -0.925 56.455 57.345 0.058 0.000 1.226 542 W CB 1.847 31.315 29.460 0.014 0.000 1.416 542 W HN 0.137 nan 8.180 nan 0.000 0.505 543 V N 2.553 122.687 119.914 0.367 0.000 2.444 543 V HA 0.682 4.779 4.120 -0.039 0.000 0.294 543 V C -0.053 176.249 176.094 0.347 0.000 1.022 543 V CA -0.850 61.651 62.300 0.334 0.000 0.850 543 V CB 1.273 33.204 31.823 0.180 0.000 0.992 543 V HN 0.592 nan 8.190 nan 0.000 0.426 544 T N 1.527 116.338 114.554 0.429 0.000 2.924 544 T HA 0.728 5.055 4.350 -0.039 0.000 0.291 544 T C -0.365 174.485 174.700 0.249 0.000 1.045 544 T CA -0.946 61.357 62.100 0.338 0.000 1.015 544 T CB 2.020 71.143 68.868 0.425 0.000 1.103 544 T HN 0.524 nan 8.240 nan 0.000 0.496 545 R N 1.098 121.703 120.500 0.174 0.000 2.491 545 R HA 0.249 4.566 4.340 -0.039 0.000 0.283 545 R C -0.821 175.556 176.300 0.129 0.000 1.072 545 R CA -0.710 55.474 56.100 0.141 0.000 1.048 545 R CB -0.593 29.764 30.300 0.095 0.000 0.983 545 R HN 0.775 nan 8.270 nan 0.000 0.450 546 Y N 3.228 123.542 120.300 0.024 0.000 2.511 546 Y HA 0.351 4.878 4.550 -0.039 0.000 0.332 546 Y C -0.751 175.117 175.900 -0.054 0.000 1.177 546 Y CA 0.576 58.664 58.100 -0.019 0.000 1.422 546 Y CB 0.476 38.907 38.460 -0.048 0.000 1.271 546 Y HN 0.738 nan 8.280 nan 0.000 0.550 547 A N 4.553 126.765 122.820 -1.015 0.000 2.486 547 A HA 0.335 4.632 4.320 -0.039 0.000 0.300 547 A C -0.005 176.902 177.584 -1.130 0.000 1.048 547 A CA -0.334 51.157 52.037 -0.910 0.000 0.696 547 A CB 0.749 19.473 19.000 -0.460 0.000 1.278 547 A HN 0.813 nan 8.150 nan 0.000 0.405 548 D N 0.829 120.779 120.400 -0.750 0.000 2.310 548 D HA -0.131 4.485 4.640 -0.039 0.000 0.212 548 D C 0.551 176.682 176.300 -0.283 0.000 0.965 548 D CA 1.408 55.173 54.000 -0.392 0.000 0.879 548 D CB 0.070 40.806 40.800 -0.107 0.000 0.921 548 D HN 0.537 nan 8.370 nan 0.000 0.510 549 D N 0.034 120.254 120.400 -0.300 0.000 2.363 549 D HA -0.038 4.579 4.640 -0.039 0.000 0.214 549 D C -0.260 175.852 176.300 -0.313 0.000 1.093 549 D CA -0.190 53.671 54.000 -0.232 0.000 0.837 549 D CB -0.508 40.202 40.800 -0.150 0.000 0.948 549 D HN 0.235 nan 8.370 nan 0.000 0.507 550 E N 0.752 120.682 120.200 -0.449 0.000 2.261 550 E HA 0.322 4.649 4.350 -0.039 0.000 0.239 550 E C 0.496 176.956 176.600 -0.235 0.000 0.991 550 E CA -0.271 55.756 56.400 -0.620 0.000 0.847 550 E CB 1.064 30.153 29.700 -1.019 0.000 1.223 550 E HN 0.121 nan 8.360 nan 0.000 0.446 551 R N 0.864 121.206 120.500 -0.263 0.000 2.195 551 R HA 0.124 4.441 4.340 -0.039 0.000 0.197 551 R C -0.116 175.900 176.300 -0.473 0.000 0.990 551 R CA 0.611 56.404 56.100 -0.513 0.000 1.048 551 R CB 0.510 30.180 30.300 -1.050 0.000 0.997 551 R HN 0.263 nan 8.270 nan 0.000 0.502 552 Y N -0.194 120.253 120.300 0.244 0.000 2.512 552 Y HA 0.308 4.835 4.550 -0.038 0.000 0.348 552 Y C -1.887 174.024 175.900 0.019 0.000 0.990 552 Y CA -3.167 55.027 58.100 0.158 0.000 1.033 552 Y CB 1.376 39.827 38.460 -0.015 0.000 1.259 552 Y HN -0.191 nan 8.280 nan 0.000 0.461 553 P HA -0.052 nan 4.420 nan 0.000 0.233 553 P C 0.676 177.724 177.300 -0.420 0.000 1.167 553 P CA 1.225 63.991 63.100 -0.556 0.000 0.770 553 P CB 0.147 31.382 31.700 -0.775 0.000 0.837 554 T N -4.632 109.796 114.554 -0.211 0.000 3.054 554 T HA 0.492 4.819 4.350 -0.039 0.000 0.255 554 T C 0.945 175.586 174.700 -0.098 0.000 1.035 554 T CA 0.124 62.139 62.100 -0.143 0.000 0.941 554 T CB -0.182 68.623 68.868 -0.105 0.000 1.026 554 T HN 0.313 nan 8.240 nan 0.000 0.533 555 G N 1.528 110.320 108.800 -0.014 0.000 2.796 555 G HA2 -0.184 3.753 3.960 -0.039 0.000 0.571 555 G HA3 -0.184 3.753 3.960 -0.039 0.000 0.571 555 G C -0.139 174.788 174.900 0.045 0.000 1.370 555 G CA -0.107 45.035 45.100 0.070 0.000 0.856 555 G HN 0.204 nan 8.290 nan 0.000 0.538 556 D N -0.597 119.740 120.400 -0.105 0.000 2.234 556 D HA 0.082 4.699 4.640 -0.039 0.000 0.205 556 D C 0.635 176.398 176.300 -0.896 0.000 0.962 556 D CA 1.415 55.138 54.000 -0.462 0.000 0.855 556 D CB 0.071 40.412 40.800 -0.765 0.000 0.951 556 D HN 0.210 nan 8.370 nan 0.000 0.500 557 F N 0.147 120.007 119.950 -0.149 0.000 2.500 557 F HA 0.214 4.718 4.527 -0.039 0.000 0.349 557 F C 0.946 176.672 175.800 -0.124 0.000 1.127 557 F CA -0.695 57.169 58.000 -0.226 0.000 0.998 557 F CB 1.639 40.421 39.000 -0.365 0.000 1.237 557 F HN -0.380 nan 8.300 nan 0.000 0.439 558 V N 0.309 120.204 119.914 -0.031 0.000 2.795 558 V HA -0.046 4.051 4.120 -0.039 0.000 0.243 558 V C 1.053 177.073 176.094 -0.122 0.000 1.069 558 V CA 0.269 62.479 62.300 -0.149 0.000 1.089 558 V CB -0.396 31.210 31.823 -0.361 0.000 0.756 558 V HN 0.687 nan 8.190 nan 0.000 0.471 559 N N 1.849 120.515 118.700 -0.056 0.000 2.301 559 N HA -0.105 4.612 4.740 -0.039 0.000 0.267 559 N C 0.494 176.002 175.510 -0.004 0.000 1.304 559 N CA 0.771 53.805 53.050 -0.027 0.000 0.851 559 N CB -0.230 38.243 38.487 -0.023 0.000 1.070 559 N HN 0.487 nan 8.380 nan 0.000 0.483 560 Q N 0.389 120.191 119.800 0.003 0.000 2.411 560 Q HA -0.308 4.009 4.340 -0.039 0.000 0.305 560 Q C -0.691 175.329 176.000 0.032 0.000 1.273 560 Q CA 0.905 56.712 55.803 0.007 0.000 0.895 560 Q CB -1.732 27.008 28.738 0.003 0.000 1.198 560 Q HN 0.686 nan 8.270 nan 0.000 0.470 561 H N -0.105 118.895 119.070 -0.117 0.000 2.539 561 H HA 0.401 4.934 4.556 -0.039 0.000 0.332 561 H C 0.360 175.605 175.328 -0.138 0.000 1.031 561 H CA -0.070 55.909 56.048 -0.115 0.000 1.206 561 H CB 1.027 30.728 29.762 -0.102 0.000 1.446 561 H HN 0.317 nan 8.280 nan 0.000 0.496 562 S N 3.276 118.828 115.700 -0.248 0.000 2.617 562 S HA 0.224 4.671 4.470 -0.039 0.000 0.255 562 S C 0.970 175.241 174.600 -0.549 0.000 1.318 562 S CA -0.227 57.778 58.200 -0.326 0.000 0.978 562 S CB 0.719 63.810 63.200 -0.182 0.000 0.961 562 S HN 0.739 nan 8.310 nan 0.000 0.582 563 G N -1.452 107.144 108.800 -0.341 0.000 2.664 563 G HA2 0.463 4.400 3.960 -0.039 0.000 0.242 563 G HA3 0.463 4.400 3.960 -0.039 0.000 0.242 563 G C 0.884 175.622 174.900 -0.269 0.000 1.225 563 G CA -0.252 44.668 45.100 -0.300 0.000 0.849 563 G HN 1.977 nan 8.290 nan 0.000 0.581 564 G N -1.601 107.074 108.800 -0.208 0.000 2.551 564 G HA2 0.347 4.284 3.960 -0.039 0.000 0.186 564 G HA3 0.347 4.284 3.960 -0.039 0.000 0.186 564 G C 0.359 175.206 174.900 -0.087 0.000 1.002 564 G CA 0.718 45.749 45.100 -0.115 0.000 0.723 564 G HN 1.800 nan 8.290 nan 0.000 0.481 565 A N -0.461 122.284 122.820 -0.124 0.000 2.392 565 A HA 1.087 5.384 4.320 -0.039 0.000 0.283 565 A C 1.382 178.750 177.584 -0.361 0.000 1.197 565 A CA 0.951 52.917 52.037 -0.119 0.000 0.895 565 A CB 0.684 19.741 19.000 0.096 0.000 1.400 565 A HN 2.249 nan 8.150 nan 0.000 0.461 566 G N -1.630 106.812 108.800 -0.597 0.000 2.598 566 G HA2 -0.156 3.781 3.960 -0.039 0.000 0.244 566 G HA3 -0.156 3.781 3.960 -0.039 0.000 0.244 566 G C 0.758 174.743 174.900 -1.525 0.000 1.302 566 G CA 0.134 44.618 45.100 -1.026 0.000 0.903 566 G HN 1.199 nan 8.290 nan 0.000 0.575 567 L N 1.189 121.704 121.223 -1.180 0.000 2.043 567 L HA -0.090 4.227 4.340 -0.039 0.000 0.212 567 L C 0.232 176.734 176.870 -0.613 0.000 1.075 567 L CA 2.529 56.725 54.840 -1.073 0.000 0.752 567 L CB -1.258 39.922 42.059 -1.464 0.000 0.891 567 L HN 0.439 nan 8.230 nan 0.000 0.432 568 P HA -0.121 nan 4.420 nan 0.000 0.221 568 P C 1.727 178.958 177.300 -0.115 0.000 1.150 568 P CA 1.518 64.552 63.100 -0.111 0.000 0.800 568 P CB 0.005 31.664 31.700 -0.068 0.000 0.787 569 S N -2.274 113.280 115.700 -0.243 0.000 2.425 569 S HA -0.131 4.316 4.470 -0.039 0.000 0.225 569 S C 1.862 176.466 174.600 0.006 0.000 1.024 569 S CA 0.525 58.650 58.200 -0.124 0.000 0.951 569 S CB -1.486 61.634 63.200 -0.134 0.000 0.796 569 S HN -0.028 nan 8.310 nan 0.000 0.498 570 Y N 3.122 123.366 120.300 -0.094 0.000 2.128 570 Y HA 0.009 4.536 4.550 -0.038 0.000 0.284 570 Y C 2.489 178.376 175.900 -0.021 0.000 1.154 570 Y CA 0.480 58.534 58.100 -0.077 0.000 1.149 570 Y CB -1.314 37.062 38.460 -0.140 0.000 0.976 570 Y HN 0.505 nan 8.280 nan 0.000 0.505 571 I N -2.077 118.586 120.570 0.155 0.000 2.830 571 I HA 0.053 4.200 4.170 -0.039 0.000 0.263 571 I C 2.267 178.444 176.117 0.100 0.000 1.230 571 I CA 1.261 62.648 61.300 0.144 0.000 1.480 571 I CB -0.673 37.441 38.000 0.190 0.000 1.095 571 I HN 0.002 nan 8.210 nan 0.000 0.455 572 A N 1.402 124.268 122.820 0.077 0.000 2.024 572 A HA -0.236 4.061 4.320 -0.039 0.000 0.220 572 A C 2.293 179.908 177.584 0.052 0.000 1.164 572 A CA 1.867 53.935 52.037 0.053 0.000 0.643 572 A CB -0.742 18.279 19.000 0.035 0.000 0.806 572 A HN 0.705 nan 8.150 nan 0.000 0.451 573 Q N -1.382 118.455 119.800 0.062 0.000 2.364 573 Q HA -0.108 4.209 4.340 -0.039 0.000 0.207 573 Q C 0.239 176.268 176.000 0.049 0.000 0.970 573 Q CA 0.547 56.381 55.803 0.051 0.000 0.888 573 Q CB -0.131 28.638 28.738 0.051 0.000 0.951 573 Q HN 0.620 nan 8.270 nan 0.000 0.469 574 D N 0.647 121.083 120.400 0.059 0.000 2.689 574 D HA -0.171 4.446 4.640 -0.039 0.000 0.237 574 D C -0.912 175.419 176.300 0.053 0.000 1.148 574 D CA 0.620 54.653 54.000 0.055 0.000 0.656 574 D CB -0.595 40.231 40.800 0.043 0.000 1.050 574 D HN 0.245 nan 8.370 nan 0.000 0.426 575 R N 0.212 120.748 120.500 0.060 0.000 2.577 575 R HA 0.375 4.692 4.340 -0.039 0.000 0.269 575 R C 0.209 176.546 176.300 0.062 0.000 1.084 575 R CA -0.592 55.541 56.100 0.055 0.000 1.163 575 R CB 0.389 30.722 30.300 0.055 0.000 1.100 575 R HN 0.142 nan 8.270 nan 0.000 0.547 576 D N 1.380 121.814 120.400 0.056 0.000 2.348 576 D HA 0.066 4.683 4.640 -0.039 0.000 0.253 576 D C 0.429 176.771 176.300 0.070 0.000 1.161 576 D CA -0.075 53.959 54.000 0.058 0.000 0.876 576 D CB 0.599 41.428 40.800 0.049 0.000 1.160 576 D HN 0.536 nan 8.370 nan 0.000 0.459 577 I N -0.246 120.370 120.570 0.076 0.000 4.147 577 I HA 0.344 4.491 4.170 -0.039 0.000 0.329 577 I C 0.230 176.396 176.117 0.082 0.000 1.424 577 I CA -0.474 60.879 61.300 0.089 0.000 1.127 577 I CB 0.523 38.586 38.000 0.105 0.000 1.128 577 I HN 0.083 nan 8.210 nan 0.000 0.417 578 D N 3.170 123.612 120.400 0.069 0.000 2.517 578 D HA 0.343 4.960 4.640 -0.039 0.000 0.220 578 D C 0.997 177.333 176.300 0.060 0.000 1.158 578 D CA 0.532 54.570 54.000 0.063 0.000 0.992 578 D CB 0.209 41.041 40.800 0.054 0.000 1.058 578 D HN 0.568 nan 8.370 nan 0.000 0.516 579 G N 3.090 111.930 108.800 0.067 0.000 2.520 579 G HA2 -0.164 3.773 3.960 -0.039 0.000 0.264 579 G HA3 -0.164 3.773 3.960 -0.039 0.000 0.264 579 G C -0.210 174.732 174.900 0.070 0.000 1.140 579 G CA -0.416 44.723 45.100 0.064 0.000 1.012 579 G HN 0.452 nan 8.290 nan 0.000 0.511 580 Q N -0.727 119.123 119.800 0.084 0.000 2.687 580 Q HA 0.393 4.710 4.340 -0.039 0.000 0.305 580 Q C -1.053 175.016 176.000 0.114 0.000 1.006 580 Q CA -0.933 54.924 55.803 0.089 0.000 0.763 580 Q CB 1.022 29.809 28.738 0.083 0.000 1.506 580 Q HN 0.262 nan 8.270 nan 0.000 0.459 581 D N 1.832 122.299 120.400 0.111 0.000 2.344 581 D HA 0.315 4.932 4.640 -0.039 0.000 0.253 581 D C -0.381 176.011 176.300 0.153 0.000 1.255 581 D CA 0.086 54.161 54.000 0.125 0.000 0.894 581 D CB -0.283 40.510 40.800 -0.013 0.000 1.067 581 D HN 0.428 nan 8.370 nan 0.000 0.492 582 I N 0.039 120.701 120.570 0.152 0.000 3.067 582 I HA 0.702 4.849 4.170 -0.039 0.000 0.312 582 I C -0.970 175.217 176.117 0.117 0.000 1.073 582 I CA -1.122 60.268 61.300 0.149 0.000 1.016 582 I CB 2.227 40.305 38.000 0.130 0.000 1.227 582 I HN -0.075 nan 8.210 nan 0.000 0.456 583 V N 3.406 123.386 119.914 0.110 0.000 2.577 583 V HA 0.405 4.502 4.120 -0.039 0.000 0.303 583 V C -0.265 175.803 176.094 -0.044 0.000 1.042 583 V CA -0.656 61.618 62.300 -0.043 0.000 0.872 583 V CB 1.835 33.590 31.823 -0.113 0.000 0.998 583 V HN 0.565 nan 8.190 nan 0.000 0.423 584 V N 3.815 123.639 119.914 -0.150 0.000 2.394 584 V HA 0.467 4.564 4.120 -0.039 0.000 0.282 584 V C -1.107 174.894 176.094 -0.154 0.000 1.031 584 V CA -0.442 61.835 62.300 -0.038 0.000 0.881 584 V CB 1.532 33.342 31.823 -0.021 0.000 0.982 584 V HN 0.915 nan 8.190 nan 0.000 0.451 585 W N 4.168 125.516 121.300 0.081 0.000 2.362 585 W HA 0.524 5.161 4.660 -0.039 0.000 0.316 585 W C -0.175 176.444 176.519 0.167 0.000 1.024 585 W CA -0.717 56.681 57.345 0.088 0.000 1.270 585 W CB 0.445 29.928 29.460 0.038 0.000 1.273 585 W HN 0.599 nan 8.180 nan 0.000 0.424 586 H N 1.675 120.839 119.070 0.157 0.000 2.504 586 H HA 0.492 5.025 4.556 -0.038 0.000 0.322 586 H C -0.309 175.198 175.328 0.298 0.000 1.055 586 H CA -0.375 55.720 56.048 0.079 0.000 1.231 586 H CB 0.967 30.571 29.762 -0.264 0.000 1.417 586 H HN 0.196 nan 8.280 nan 0.000 0.472 587 T N 7.234 121.813 114.554 0.042 0.000 2.817 587 T HA 0.398 4.724 4.350 -0.039 0.000 0.293 587 T C -0.895 173.722 174.700 -0.139 0.000 0.964 587 T CA -0.091 62.048 62.100 0.066 0.000 1.085 587 T CB -0.363 68.640 68.868 0.225 0.000 0.921 587 T HN 0.498 nan 8.240 nan 0.000 0.502 588 F N -0.145 119.714 119.950 -0.153 0.000 2.628 588 F HA 0.831 5.336 4.527 -0.038 0.000 0.309 588 F C -0.298 175.619 175.800 0.195 0.000 1.108 588 F CA -1.176 56.798 58.000 -0.043 0.000 0.971 588 F CB 1.084 40.030 39.000 -0.091 0.000 1.279 588 F HN 0.796 nan 8.300 nan 0.000 0.441 589 G N 1.755 110.683 108.800 0.213 0.000 2.559 589 G HA2 0.596 4.533 3.960 -0.039 0.000 0.291 589 G HA3 0.596 4.533 3.960 -0.039 0.000 0.291 589 G C -2.565 172.440 174.900 0.175 0.000 1.424 589 G CA -1.105 44.095 45.100 0.167 0.000 0.786 589 G HN 0.847 nan 8.290 nan 0.000 0.485 590 L N 0.509 121.824 121.223 0.153 0.000 2.329 590 L HA 0.577 4.894 4.340 -0.039 0.000 0.279 590 L C -0.104 176.768 176.870 0.003 0.000 1.014 590 L CA -0.700 54.202 54.840 0.102 0.000 0.814 590 L CB 2.459 44.593 42.059 0.125 0.000 1.257 590 L HN 0.452 nan 8.230 nan 0.000 0.424 591 T N 1.062 115.573 114.554 -0.071 0.000 2.743 591 T HA 0.244 4.571 4.350 -0.039 0.000 0.292 591 T C -0.680 173.822 174.700 -0.330 0.000 0.972 591 T CA -0.213 61.738 62.100 -0.248 0.000 0.967 591 T CB 0.142 68.882 68.868 -0.212 0.000 0.926 591 T HN 0.426 nan 8.240 nan 0.000 0.459 592 H N 3.119 121.781 119.070 -0.679 0.000 2.595 592 H HA 0.404 4.937 4.556 -0.037 0.000 0.313 592 H C -1.180 173.667 175.328 -0.801 0.000 1.023 592 H CA -1.114 54.565 56.048 -0.615 0.000 1.218 592 H CB 0.381 29.804 29.762 -0.566 0.000 1.403 592 H HN 0.439 nan 8.280 nan 0.000 0.477 593 F N 6.750 126.606 119.950 -0.157 0.000 2.313 593 F HA 0.293 4.797 4.527 -0.040 0.000 0.369 593 F C -2.076 173.676 175.800 -0.079 0.000 1.109 593 F CA -2.386 55.384 58.000 -0.384 0.000 1.132 593 F CB 0.894 39.558 39.000 -0.560 0.000 1.291 593 F HN 0.494 nan 8.300 nan 0.000 0.496 594 P HA 0.222 nan 4.420 nan 0.000 0.272 594 P C -0.659 176.742 177.300 0.168 0.000 1.223 594 P CA -0.430 62.671 63.100 0.001 0.000 0.784 594 P CB 0.682 32.334 31.700 -0.081 0.000 0.923 595 R N 0.893 121.513 120.500 0.201 0.000 2.832 595 R HA 0.462 4.779 4.340 -0.039 0.000 0.271 595 R C 0.521 176.905 176.300 0.140 0.000 0.996 595 R CA -0.893 55.296 56.100 0.148 0.000 0.977 595 R CB 0.234 30.617 30.300 0.138 0.000 1.168 595 R HN 0.026 nan 8.270 nan 0.000 0.482 596 V N 1.345 121.318 119.914 0.097 0.000 2.370 596 V HA -0.276 3.820 4.120 -0.039 0.000 0.252 596 V C 1.645 177.833 176.094 0.157 0.000 1.068 596 V CA 2.221 64.586 62.300 0.109 0.000 1.061 596 V CB -0.718 31.142 31.823 0.062 0.000 0.656 596 V HN 0.787 nan 8.190 nan 0.000 0.455 597 E N -0.073 120.199 120.200 0.121 0.000 2.333 597 E HA -0.167 4.160 4.350 -0.039 0.000 0.198 597 E C 1.688 178.361 176.600 0.121 0.000 1.007 597 E CA 0.932 57.394 56.400 0.104 0.000 0.845 597 E CB -0.276 29.467 29.700 0.071 0.000 0.766 597 E HN 0.613 nan 8.360 nan 0.000 0.507 598 D N -0.889 119.619 120.400 0.180 0.000 2.347 598 D HA -0.088 4.529 4.640 -0.039 0.000 0.215 598 D C -0.146 176.302 176.300 0.246 0.000 0.976 598 D CA 0.385 54.509 54.000 0.207 0.000 0.884 598 D CB 0.085 41.062 40.800 0.295 0.000 0.915 598 D HN 0.236 nan 8.370 nan 0.000 0.526 599 W N 2.246 123.570 121.300 0.040 0.000 2.573 599 W HA 0.214 4.849 4.660 -0.041 0.000 0.326 599 W C -1.972 174.569 176.519 0.037 0.000 1.049 599 W CA -2.015 55.352 57.345 0.036 0.000 1.220 599 W CB 2.097 31.576 29.460 0.031 0.000 1.373 599 W HN -0.194 nan 8.180 nan 0.000 0.507 600 P HA 0.131 nan 4.420 nan 0.000 0.245 600 P C -0.107 176.770 177.300 -0.705 0.000 1.206 600 P CA 0.711 62.855 63.100 -1.592 0.000 0.781 600 P CB 1.396 32.406 31.700 -1.150 0.000 0.994 601 I N 0.210 120.540 120.570 -0.401 0.000 2.656 601 I HA 0.344 4.491 4.170 -0.039 0.000 0.292 601 I C -0.777 175.219 176.117 -0.202 0.000 1.144 601 I CA -1.878 59.190 61.300 -0.386 0.000 1.038 601 I CB 2.543 40.072 38.000 -0.785 0.000 1.244 601 I HN -0.266 nan 8.210 nan 0.000 0.420 602 M N 8.940 128.463 119.600 -0.127 0.000 2.144 602 M HA 0.639 5.096 4.480 -0.039 0.000 0.356 602 M C -2.614 173.652 176.300 -0.057 0.000 1.217 602 M CA -1.312 53.970 55.300 -0.030 0.000 1.087 602 M CB 1.002 33.637 32.600 0.058 0.000 1.609 602 M HN 0.180 nan 8.290 nan 0.000 0.467 603 P HA 0.101 nan 4.420 nan 0.000 0.272 603 P C -0.597 176.682 177.300 -0.035 0.000 1.223 603 P CA -0.479 62.598 63.100 -0.040 0.000 0.784 603 P CB 0.541 32.226 31.700 -0.026 0.000 0.923 604 V N 2.754 122.650 119.914 -0.030 0.000 2.617 604 V HA -0.016 4.081 4.120 -0.039 0.000 0.304 604 V C 0.615 176.678 176.094 -0.051 0.000 1.040 604 V CA 1.074 63.358 62.300 -0.028 0.000 1.149 604 V CB 0.005 31.826 31.823 -0.004 0.000 0.914 604 V HN 0.592 nan 8.190 nan 0.000 0.487 605 D N 2.336 122.691 120.400 -0.074 0.000 2.457 605 D HA 0.642 5.259 4.640 -0.039 0.000 0.240 605 D C -0.292 175.959 176.300 -0.081 0.000 1.041 605 D CA -0.228 53.722 54.000 -0.084 0.000 0.861 605 D CB 2.233 42.957 40.800 -0.128 0.000 1.394 605 D HN 0.698 nan 8.370 nan 0.000 0.473 606 T N -1.089 113.430 114.554 -0.059 0.000 2.908 606 T HA 0.748 5.075 4.350 -0.039 0.000 0.290 606 T C -0.746 173.959 174.700 0.008 0.000 1.034 606 T CA -0.789 61.270 62.100 -0.067 0.000 1.010 606 T CB 1.562 70.385 68.868 -0.075 0.000 1.068 606 T HN 0.188 nan 8.240 nan 0.000 0.481 607 V N 0.452 120.362 119.914 -0.006 0.000 3.147 607 V HA 0.929 5.026 4.120 -0.039 0.000 0.306 607 V C -0.068 176.015 176.094 -0.018 0.000 1.209 607 V CA 0.474 62.846 62.300 0.120 0.000 1.023 607 V CB 1.823 33.786 31.823 0.233 0.000 1.059 607 V HN 1.581 nan 8.190 nan 0.000 0.435 608 G N 2.777 111.420 108.800 -0.261 0.000 2.450 608 G HA2 0.688 4.625 3.960 -0.039 0.000 0.273 608 G HA3 0.688 4.625 3.960 -0.039 0.000 0.273 608 G C -1.430 172.971 174.900 -0.832 0.000 1.221 608 G CA 0.182 44.946 45.100 -0.561 0.000 0.900 608 G HN 1.803 nan 8.290 nan 0.000 0.483 609 F N -1.060 118.534 119.950 -0.594 0.000 2.858 609 F HA 0.855 5.359 4.527 -0.039 0.000 0.319 609 F C -1.080 174.692 175.800 -0.046 0.000 1.166 609 F CA -0.956 56.871 58.000 -0.288 0.000 0.899 609 F CB 1.542 40.395 39.000 -0.246 0.000 1.332 609 F HN 0.821 nan 8.300 nan 0.000 0.461 610 K N 0.819 121.391 120.400 0.285 0.000 2.555 610 K HA 0.817 5.114 4.320 -0.039 0.000 0.279 610 K C -2.480 174.362 176.600 0.404 0.000 0.986 610 K CA -1.029 55.400 56.287 0.237 0.000 0.880 610 K CB 2.559 35.146 32.500 0.145 0.000 1.474 610 K HN 0.724 nan 8.250 nan 0.000 0.433 611 L N 1.240 122.697 121.223 0.389 0.000 2.362 611 L HA 0.587 4.904 4.340 -0.039 0.000 0.275 611 L C -0.536 176.605 176.870 0.452 0.000 0.998 611 L CA -0.578 54.525 54.840 0.439 0.000 0.820 611 L CB 2.009 44.338 42.059 0.450 0.000 1.270 611 L HN 0.582 nan 8.230 nan 0.000 0.415 612 R N 2.675 123.372 120.500 0.328 0.000 2.670 612 R HA 0.575 4.892 4.340 -0.039 0.000 0.289 612 R C -2.570 173.494 176.300 -0.393 0.000 0.965 612 R CA -1.930 54.218 56.100 0.080 0.000 0.899 612 R CB 1.679 32.038 30.300 0.097 0.000 1.173 612 R HN 0.307 nan 8.270 nan 0.000 0.456 613 P HA -0.045 nan 4.420 nan 0.000 0.266 613 P C -0.732 176.367 177.300 -0.336 0.000 1.195 613 P CA 0.186 62.669 63.100 -1.029 0.000 0.768 613 P CB 0.725 32.116 31.700 -0.515 0.000 0.838 614 E N 1.988 122.057 120.200 -0.220 0.000 2.675 614 E HA 0.441 4.768 4.350 -0.039 0.000 0.236 614 E C 0.703 177.305 176.600 0.003 0.000 1.059 614 E CA -0.383 55.986 56.400 -0.051 0.000 0.775 614 E CB -0.579 29.111 29.700 -0.016 0.000 1.356 614 E HN 0.662 nan 8.360 nan 0.000 0.403 615 G N 3.349 112.160 108.800 0.019 0.000 2.153 615 G HA2 -0.368 3.569 3.960 -0.039 0.000 0.252 615 G HA3 -0.368 3.569 3.960 -0.039 0.000 0.252 615 G C 0.555 175.464 174.900 0.015 0.000 0.994 615 G CA 0.414 45.528 45.100 0.023 0.000 0.698 615 G HN 0.537 nan 8.290 nan 0.000 0.521 616 F N 0.036 119.881 119.950 -0.175 0.000 2.187 616 F HA 0.466 4.970 4.527 -0.038 0.000 0.295 616 F C 1.278 176.839 175.800 -0.399 0.000 1.091 616 F CA 0.666 58.471 58.000 -0.326 0.000 1.308 616 F CB 0.032 38.721 39.000 -0.520 0.000 1.030 616 F HN 0.101 nan 8.300 nan 0.000 0.487 617 F N 0.305 120.267 119.950 0.020 0.000 2.457 617 F HA 0.239 4.743 4.527 -0.039 0.000 0.330 617 F C 1.371 177.130 175.800 -0.068 0.000 1.069 617 F CA -0.762 57.202 58.000 -0.059 0.000 1.009 617 F CB 0.327 39.304 39.000 -0.037 0.000 1.276 617 F HN -0.286 nan 8.300 nan 0.000 0.492 618 D N 0.096 120.585 120.400 0.149 0.000 2.349 618 D HA 0.082 4.699 4.640 -0.039 0.000 0.215 618 D C 0.275 176.605 176.300 0.049 0.000 1.016 618 D CA 0.585 54.619 54.000 0.057 0.000 0.870 618 D CB 0.305 41.122 40.800 0.029 0.000 0.917 618 D HN 0.521 nan 8.370 nan 0.000 0.524 619 R N -2.334 118.206 120.500 0.067 0.000 2.832 619 R HA 0.203 4.520 4.340 -0.039 0.000 0.283 619 R C -0.669 175.630 176.300 -0.001 0.000 0.998 619 R CA -0.757 55.357 56.100 0.022 0.000 0.843 619 R CB 0.265 30.566 30.300 0.001 0.000 1.332 619 R HN -0.181 nan 8.270 nan 0.000 0.490 620 S N 0.975 116.652 115.700 -0.037 0.000 2.593 620 S HA 0.075 4.521 4.470 -0.039 0.000 0.300 620 S C -1.349 173.149 174.600 -0.169 0.000 1.267 620 S CA -0.678 57.469 58.200 -0.087 0.000 1.065 620 S CB 0.401 63.569 63.200 -0.053 0.000 0.807 620 S HN 0.497 nan 8.310 nan 0.000 0.499 621 P HA 0.135 nan 4.420 nan 0.000 0.257 621 P C 0.401 177.588 177.300 -0.189 0.000 1.281 621 P CA 0.143 62.967 63.100 -0.459 0.000 0.826 621 P CB -0.185 30.755 31.700 -1.268 0.000 1.237 622 V N -4.036 115.820 119.914 -0.098 0.000 3.006 622 V HA 0.251 4.348 4.120 -0.039 0.000 0.357 622 V C 1.493 177.607 176.094 0.033 0.000 1.377 622 V CA -0.123 62.171 62.300 -0.010 0.000 1.198 622 V CB -0.765 31.076 31.823 0.030 0.000 1.216 622 V HN -0.132 nan 8.190 nan 0.000 0.520 623 L N 1.238 122.471 121.223 0.017 0.000 2.291 623 L HA 0.006 4.323 4.340 -0.039 0.000 0.214 623 L C 2.108 179.016 176.870 0.062 0.000 1.120 623 L CA 1.647 56.517 54.840 0.051 0.000 0.799 623 L CB -0.261 41.806 42.059 0.013 0.000 0.925 623 L HN 0.585 nan 8.230 nan 0.000 0.446 624 D N -0.888 119.530 120.400 0.030 0.000 2.328 624 D HA 0.000 4.617 4.640 -0.039 0.000 0.221 624 D C 0.613 176.922 176.300 0.014 0.000 1.072 624 D CA -0.018 53.995 54.000 0.021 0.000 0.850 624 D CB -0.294 40.507 40.800 0.002 0.000 0.922 624 D HN -0.022 nan 8.370 nan 0.000 0.516 625 V N 3.093 123.022 119.914 0.024 0.000 2.572 625 V HA 0.176 4.273 4.120 -0.039 0.000 0.291 625 V C -1.623 174.475 176.094 0.007 0.000 1.039 625 V CA -1.023 61.282 62.300 0.008 0.000 1.055 625 V CB 0.785 32.619 31.823 0.019 0.000 0.969 625 V HN 0.183 nan 8.190 nan 0.000 0.482 626 P HA 0.322 nan 4.420 nan 0.000 0.276 626 P C -0.463 176.811 177.300 -0.043 0.000 1.252 626 P CA -0.395 62.696 63.100 -0.015 0.000 0.802 626 P CB 0.919 32.612 31.700 -0.012 0.000 1.035 627 A N 1.075 123.863 122.820 -0.054 0.000 2.466 627 A HA 0.405 4.702 4.320 -0.039 0.000 0.238 627 A C 1.016 178.569 177.584 -0.051 0.000 1.074 627 A CA 0.282 52.270 52.037 -0.082 0.000 0.774 627 A CB -1.209 17.749 19.000 -0.070 0.000 1.015 627 A HN 0.844 nan 8.150 nan 0.000 0.498 628 N N 0.000 118.668 118.700 -0.053 0.000 1.763 628 N HA 0.000 4.717 4.740 -0.039 0.000 0.220 628 N CA 0.000 53.033 53.050 -0.028 0.000 0.885 628 N CB 0.000 38.472 38.487 -0.025 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667