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 3dgh_1_A DATA FIRST_RESID 7 DATA SEQUENCE SYDYDLIVIG GGSAGLACAK EAVLNGARVA CLDFVKPTPT LGTKWGVGGT DATA SEQUENCE cVNVGcIPKK LMHQASLLGE AVHEAAAYGW NVDDKIKPDW HKLVQSVQNH DATA SEQUENCE IKSVNWVTRV DLRDKKVEYI NGLGSFVDSH TLLAKLKSGE RTITAQTFVI DATA SEQUENCE AVGGRPRYPD IPGAVEYGIT SDDLFSLDRE PGKTLVVGAG YIGLECAGFL DATA SEQUENCE KGLGYEPTVM VRSIVLRGFD QQMAELVAAS MEERGIPFLR KTVPLSVEKQ DATA SEQUENCE DDGKLLVKYK NVETGEESED VYDTVLWAIG RKGLVDDLNL PNAGVTVQKD DATA SEQUENCE KIPVDSQEAT NVANIYAVGD IIYGKPELTP VAVLAGRLLA RRLYGGSTQR DATA SEQUENCE MDYKDVATTV FTPLEYACVG LSEEDAVKQF GADEIEVFHG YYKPTEFFIP DATA SEQUENCE QKSVRYCYLK AVAERHGDQR VYGLHYIGPV AGEVIQGFAA ALKSGLTINT DATA SEQUENCE LINTVGIHPT TAEEFTRLAI TKRSGLD 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 7 S HA 0.000 nan 4.470 nan 0.000 0.327 7 S C 0.000 174.406 174.600 -0.323 0.000 1.055 7 S CA 0.000 58.016 58.200 -0.306 0.000 1.107 7 S CB 0.000 62.904 63.200 -0.493 0.000 0.593 8 Y N 3.237 123.515 120.300 -0.037 0.000 2.326 8 Y HA 0.494 5.052 4.550 0.013 0.000 0.324 8 Y C 1.328 177.185 175.900 -0.072 0.000 1.291 8 Y CA -0.556 57.531 58.100 -0.022 0.000 1.348 8 Y CB 0.404 38.874 38.460 0.016 0.000 1.294 8 Y HN 0.022 nan 8.280 nan 0.000 0.525 9 D N 0.087 120.540 120.400 0.088 0.000 2.144 9 D HA -0.141 4.507 4.640 0.013 0.000 0.199 9 D C -0.543 175.423 176.300 -0.557 0.000 0.984 9 D CA 1.805 55.667 54.000 -0.230 0.000 0.834 9 D CB -0.024 40.655 40.800 -0.203 0.000 0.955 9 D HN 0.385 nan 8.370 nan 0.000 0.465 10 Y N -0.156 120.175 120.300 0.051 0.000 2.545 10 Y HA 0.200 4.758 4.550 0.014 0.000 0.348 10 Y C 1.000 176.904 175.900 0.006 0.000 1.002 10 Y CA -1.078 57.020 58.100 -0.004 0.000 1.039 10 Y CB 1.552 39.982 38.460 -0.051 0.000 1.271 10 Y HN -0.353 nan 8.280 nan 0.000 0.467 11 D N 0.688 121.166 120.400 0.130 0.000 2.117 11 D HA -0.054 4.594 4.640 0.013 0.000 0.198 11 D C -0.231 176.126 176.300 0.096 0.000 0.982 11 D CA 1.642 55.706 54.000 0.106 0.000 0.828 11 D CB 0.418 41.218 40.800 0.000 0.000 0.967 11 D HN 0.221 nan 8.370 nan 0.000 0.464 12 L N 0.335 121.584 121.223 0.043 0.000 2.436 12 L HA 0.419 4.767 4.340 0.013 0.000 0.268 12 L C -1.537 175.265 176.870 -0.114 0.000 0.974 12 L CA -0.497 54.336 54.840 -0.011 0.000 0.826 12 L CB 2.183 44.276 42.059 0.058 0.000 1.291 12 L HN -0.227 nan 8.230 nan 0.000 0.406 13 I N 5.411 125.839 120.570 -0.237 0.000 2.389 13 I HA 0.454 4.632 4.170 0.013 0.000 0.288 13 I C -0.710 175.415 176.117 0.013 0.000 0.999 13 I CA -0.904 60.284 61.300 -0.188 0.000 1.129 13 I CB 1.957 39.833 38.000 -0.207 0.000 1.288 13 I HN 0.273 nan 8.210 nan 0.000 0.444 14 V N 7.551 127.476 119.914 0.018 0.000 2.407 14 V HA 0.365 4.493 4.120 0.013 0.000 0.278 14 V C 0.194 176.340 176.094 0.086 0.000 1.037 14 V CA -0.417 61.933 62.300 0.083 0.000 0.900 14 V CB 1.410 33.267 31.823 0.056 0.000 0.983 14 V HN 0.459 nan 8.190 nan 0.000 0.459 15 I N 4.851 125.492 120.570 0.118 0.000 2.307 15 I HA 0.712 4.890 4.170 0.013 0.000 0.287 15 I C 0.689 176.857 176.117 0.086 0.000 1.054 15 I CA -0.015 61.330 61.300 0.076 0.000 1.218 15 I CB 0.936 38.950 38.000 0.024 0.000 1.398 15 I HN 0.861 nan 8.210 nan 0.000 0.475 16 G N 3.500 112.353 108.800 0.090 0.000 3.014 16 G HA2 0.126 4.094 3.960 0.013 0.000 0.683 16 G HA3 0.126 4.094 3.960 0.013 0.000 0.683 16 G C -0.220 174.735 174.900 0.092 0.000 1.271 16 G CA -0.543 44.618 45.100 0.101 0.000 0.843 16 G HN 0.880 nan 8.290 nan 0.000 0.612 17 G N 0.465 109.321 108.800 0.093 0.000 4.644 17 G HA2 0.707 4.675 3.960 0.013 0.000 0.307 17 G HA3 0.707 4.675 3.960 0.013 0.000 0.307 17 G C 0.703 175.626 174.900 0.039 0.000 1.331 17 G CA 0.888 46.020 45.100 0.053 0.000 1.059 17 G HN 1.278 nan 8.290 nan 0.000 0.590 18 G N 0.023 108.860 108.800 0.060 0.000 2.736 18 G HA2 0.409 4.377 3.960 0.013 0.000 0.229 18 G HA3 0.409 4.377 3.960 0.013 0.000 0.229 18 G C 1.203 176.128 174.900 0.041 0.000 1.380 18 G CA 0.382 45.517 45.100 0.060 0.000 1.040 18 G HN 0.141 nan 8.290 nan 0.000 0.568 19 S N 0.059 115.785 115.700 0.044 0.000 2.359 19 S HA -0.178 4.301 4.470 0.013 0.000 0.223 19 S C 2.673 177.296 174.600 0.038 0.000 1.039 19 S CA 1.857 60.078 58.200 0.034 0.000 1.042 19 S CB -0.547 62.677 63.200 0.039 0.000 0.915 19 S HN 0.778 nan 8.310 nan 0.000 0.439 20 A N 1.303 124.156 122.820 0.055 0.000 1.897 20 A HA 0.201 4.529 4.320 0.013 0.000 0.215 20 A C 2.345 179.962 177.584 0.055 0.000 1.181 20 A CA 1.545 53.619 52.037 0.061 0.000 0.620 20 A CB -1.353 17.697 19.000 0.083 0.000 0.821 20 A HN 0.515 nan 8.150 nan 0.000 0.443 21 G N -0.295 108.540 108.800 0.059 0.000 2.404 21 G HA2 -0.054 3.914 3.960 0.013 0.000 0.215 21 G HA3 -0.054 3.914 3.960 0.013 0.000 0.215 21 G C 1.355 176.275 174.900 0.033 0.000 1.174 21 G CA 1.063 46.198 45.100 0.057 0.000 0.780 21 G HN 0.308 nan 8.290 nan 0.000 0.537 22 L N 1.430 122.664 121.223 0.018 0.000 2.046 22 L HA 0.108 4.456 4.340 0.013 0.000 0.208 22 L C 3.249 180.117 176.870 -0.003 0.000 1.077 22 L CA 1.516 56.352 54.840 -0.006 0.000 0.747 22 L CB -1.157 40.886 42.059 -0.027 0.000 0.896 22 L HN 0.299 nan 8.230 nan 0.000 0.432 23 A N -1.714 121.110 122.820 0.006 0.000 1.902 23 A HA -0.271 4.057 4.320 0.013 0.000 0.217 23 A C 2.595 180.185 177.584 0.011 0.000 1.181 23 A CA 1.761 53.800 52.037 0.004 0.000 0.623 23 A CB -1.338 17.667 19.000 0.008 0.000 0.818 23 A HN 0.546 nan 8.150 nan 0.000 0.443 24 C N -0.861 118.453 119.300 0.023 0.000 2.453 24 C HA 0.131 4.599 4.460 0.013 0.000 0.277 24 C C 3.197 178.204 174.990 0.030 0.000 1.262 24 C CA 1.230 60.267 59.018 0.032 0.000 1.718 24 C CB -1.271 26.497 27.740 0.047 0.000 2.031 24 C HN 0.670 nan 8.230 nan 0.000 0.480 25 A N 0.296 123.127 122.820 0.019 0.000 1.902 25 A HA -0.165 4.163 4.320 0.013 0.000 0.217 25 A C 2.221 179.797 177.584 -0.013 0.000 1.181 25 A CA 1.838 53.876 52.037 0.002 0.000 0.623 25 A CB -0.602 18.396 19.000 -0.003 0.000 0.818 25 A HN 0.756 nan 8.150 nan 0.000 0.443 26 K N -0.818 119.574 120.400 -0.013 0.000 2.057 26 K HA -0.175 4.154 4.320 0.013 0.000 0.207 26 K C 2.120 178.710 176.600 -0.016 0.000 1.049 26 K CA 1.561 57.836 56.287 -0.021 0.000 0.931 26 K CB -0.084 32.401 32.500 -0.025 0.000 0.714 26 K HN 0.483 nan 8.250 nan 0.000 0.440 27 E N 1.013 121.212 120.200 -0.003 0.000 2.107 27 E HA -0.089 4.270 4.350 0.013 0.000 0.191 27 E C 1.727 178.338 176.600 0.018 0.000 0.982 27 E CA 1.226 57.631 56.400 0.008 0.000 0.809 27 E CB -0.096 29.613 29.700 0.015 0.000 0.756 27 E HN 0.271 nan 8.360 nan 0.000 0.459 28 A N 0.062 122.895 122.820 0.022 0.000 1.902 28 A HA -0.153 4.175 4.320 0.013 0.000 0.217 28 A C 2.452 179.961 177.584 -0.127 0.000 1.181 28 A CA 1.727 53.758 52.037 -0.011 0.000 0.623 28 A CB -0.796 18.188 19.000 -0.026 0.000 0.818 28 A HN 0.197 nan 8.150 nan 0.000 0.443 29 V N -0.372 119.486 119.914 -0.093 0.000 2.427 29 V HA -0.208 3.921 4.120 0.013 0.000 0.248 29 V C 2.439 178.497 176.094 -0.060 0.000 1.051 29 V CA 1.773 64.021 62.300 -0.088 0.000 1.048 29 V CB -0.780 31.009 31.823 -0.056 0.000 0.666 29 V HN 0.559 nan 8.190 nan 0.000 0.456 30 L N 0.777 121.979 121.223 -0.036 0.000 2.191 30 L HA -0.100 4.248 4.340 0.013 0.000 0.212 30 L C 1.568 178.431 176.870 -0.012 0.000 1.103 30 L CA 1.927 56.755 54.840 -0.021 0.000 0.769 30 L CB -0.886 41.166 42.059 -0.012 0.000 0.908 30 L HN 0.379 nan 8.230 nan 0.000 0.438 31 N N -0.655 118.040 118.700 -0.007 0.000 2.268 31 N HA 0.314 5.062 4.740 0.013 0.000 0.204 31 N C 0.874 176.381 175.510 -0.004 0.000 1.124 31 N CA 0.650 53.715 53.050 0.023 0.000 0.838 31 N CB 0.543 39.087 38.487 0.095 0.000 0.994 31 N HN 0.379 nan 8.380 nan 0.000 0.489 32 G N -0.596 108.168 108.800 -0.060 0.000 2.176 32 G HA2 -0.238 3.730 3.960 0.013 0.000 0.232 32 G HA3 -0.238 3.730 3.960 0.013 0.000 0.232 32 G C 0.222 175.027 174.900 -0.158 0.000 0.986 32 G CA -0.043 45.012 45.100 -0.074 0.000 0.643 32 G HN 0.514 nan 8.290 nan 0.000 0.522 33 A N 0.103 122.724 122.820 -0.331 0.000 2.371 33 A HA 0.711 5.039 4.320 0.013 0.000 0.257 33 A C 0.710 178.149 177.584 -0.242 0.000 1.089 33 A CA 0.294 52.028 52.037 -0.505 0.000 0.794 33 A CB 0.372 18.679 19.000 -1.155 0.000 1.029 33 A HN 0.701 nan 8.150 nan 0.000 0.488 34 R N 1.658 122.070 120.500 -0.146 0.000 2.202 34 R HA 0.464 4.812 4.340 0.013 0.000 0.334 34 R C -1.001 175.341 176.300 0.070 0.000 1.036 34 R CA -0.100 55.992 56.100 -0.013 0.000 0.878 34 R CB 0.629 30.934 30.300 0.008 0.000 1.067 34 R HN 0.699 nan 8.270 nan 0.000 0.457 35 V N 2.970 122.929 119.914 0.074 0.000 2.789 35 V HA 0.852 4.980 4.120 0.013 0.000 0.311 35 V C -1.291 174.754 176.094 -0.083 0.000 1.073 35 V CA -0.490 61.811 62.300 0.002 0.000 0.921 35 V CB 1.927 33.706 31.823 -0.073 0.000 1.009 35 V HN 0.909 nan 8.190 nan 0.000 0.426 36 A N 4.757 127.355 122.820 -0.370 0.000 2.337 36 A HA 0.840 5.168 4.320 0.013 0.000 0.329 36 A C -0.547 176.909 177.584 -0.213 0.000 1.146 36 A CA -0.261 51.508 52.037 -0.447 0.000 0.800 36 A CB 1.427 19.811 19.000 -1.026 0.000 1.220 36 A HN 1.753 nan 8.150 nan 0.000 0.472 37 C N 3.721 122.972 119.300 -0.081 0.000 2.364 37 C HA 0.721 5.189 4.460 0.013 0.000 0.324 37 C C -1.039 173.999 174.990 0.080 0.000 1.234 37 C CA -0.638 58.386 59.018 0.010 0.000 1.417 37 C CB -0.650 27.115 27.740 0.043 0.000 2.101 37 C HN 0.785 nan 8.230 nan 0.000 0.466 38 L N 5.046 126.308 121.223 0.064 0.000 2.312 38 L HA 0.614 4.962 4.340 0.013 0.000 0.281 38 L C -0.098 176.873 176.870 0.169 0.000 1.070 38 L CA 0.792 55.688 54.840 0.093 0.000 0.805 38 L CB 1.326 43.405 42.059 0.034 0.000 1.174 38 L HN 0.737 nan 8.230 nan 0.000 0.434 39 D N 1.826 122.387 120.400 0.269 0.000 2.964 39 D HA 0.550 5.198 4.640 0.013 0.000 0.234 39 D C -1.770 174.716 176.300 0.309 0.000 1.223 39 D CA -0.246 53.919 54.000 0.274 0.000 0.889 39 D CB 1.277 42.233 40.800 0.261 0.000 1.609 39 D HN 0.210 nan 8.370 nan 0.000 0.523 40 F N 3.461 123.451 119.950 0.066 0.000 2.581 40 F HA 0.545 5.080 4.527 0.014 0.000 0.311 40 F C -1.598 174.182 175.800 -0.034 0.000 1.113 40 F CA -0.656 57.350 58.000 0.010 0.000 0.935 40 F CB 1.729 40.717 39.000 -0.020 0.000 1.232 40 F HN 0.149 nan 8.300 nan 0.000 0.445 41 V N 6.062 125.537 119.914 -0.732 0.000 2.328 41 V HA 0.283 4.411 4.120 0.013 0.000 0.278 41 V C -0.082 175.633 176.094 -0.632 0.000 1.021 41 V CA -0.936 60.992 62.300 -0.620 0.000 0.838 41 V CB 1.215 32.486 31.823 -0.920 0.000 0.999 41 V HN 0.661 nan 8.190 nan 0.000 0.447 42 K N 6.544 126.831 120.400 -0.188 0.000 2.379 42 K HA 0.282 4.610 4.320 0.013 0.000 0.284 42 K C -2.363 174.119 176.600 -0.197 0.000 1.044 42 K CA -1.307 54.961 56.287 -0.033 0.000 0.974 42 K CB 0.847 33.401 32.500 0.089 0.000 0.962 42 K HN 0.370 nan 8.250 nan 0.000 0.474 43 P HA -0.019 nan 4.420 nan 0.000 0.269 43 P C -0.755 176.530 177.300 -0.025 0.000 1.215 43 P CA -0.324 62.683 63.100 -0.154 0.000 0.780 43 P CB 0.538 32.187 31.700 -0.084 0.000 0.898 44 T N 0.058 114.641 114.554 0.048 0.000 2.932 44 T HA 0.220 4.578 4.350 0.013 0.000 0.312 44 T C -2.190 172.570 174.700 0.099 0.000 1.071 44 T CA -1.307 60.880 62.100 0.144 0.000 1.128 44 T CB -0.424 68.582 68.868 0.229 0.000 0.984 44 T HN 0.246 nan 8.240 nan 0.000 0.549 45 P HA 0.273 nan 4.420 nan 0.000 0.281 45 P C -0.409 176.916 177.300 0.042 0.000 1.252 45 P CA 0.125 63.236 63.100 0.019 0.000 0.778 45 P CB 0.152 31.805 31.700 -0.078 0.000 0.895 46 T N 1.551 116.117 114.554 0.021 0.000 0.541 46 T HA -0.206 4.152 4.350 0.013 0.000 0.774 46 T C 1.017 175.763 174.700 0.076 0.000 0.992 46 T CA 0.281 62.403 62.100 0.037 0.000 4.077 46 T CB -1.313 67.573 68.868 0.029 0.000 2.303 46 T HN 0.585 nan 8.240 nan 0.000 0.398 47 L N 0.181 121.446 121.223 0.070 0.000 4.252 47 L HA -0.310 4.038 4.340 0.013 0.000 0.370 47 L C 1.940 178.857 176.870 0.078 0.000 0.743 47 L CA 1.810 56.700 54.840 0.083 0.000 2.767 47 L CB -2.054 40.069 42.059 0.106 0.000 0.809 47 L HN 2.394 nan 8.230 nan 0.000 0.696 48 G N 0.259 109.103 108.800 0.074 0.000 2.221 48 G HA2 -0.267 3.701 3.960 0.013 0.000 0.265 48 G HA3 -0.267 3.701 3.960 0.013 0.000 0.265 48 G C 0.174 175.107 174.900 0.055 0.000 1.041 48 G CA 0.591 45.720 45.100 0.049 0.000 0.807 48 G HN 0.464 nan 8.290 nan 0.000 0.502 49 T N 0.797 115.418 114.554 0.112 0.000 2.888 49 T HA 0.476 4.834 4.350 0.013 0.000 0.301 49 T C 0.601 175.358 174.700 0.095 0.000 1.001 49 T CA 0.887 63.094 62.100 0.179 0.000 1.147 49 T CB 1.068 70.114 68.868 0.297 0.000 0.931 49 T HN 0.904 nan 8.240 nan 0.000 0.541 50 K N 1.231 121.668 120.400 0.063 0.000 2.469 50 K HA 0.773 5.101 4.320 0.013 0.000 0.268 50 K C -1.582 175.056 176.600 0.063 0.000 1.027 50 K CA -1.289 54.831 56.287 -0.278 0.000 0.893 50 K CB 1.985 34.277 32.500 -0.347 0.000 1.460 50 K HN 0.685 nan 8.250 nan 0.000 0.449 51 W N -1.219 120.064 121.300 -0.028 0.000 2.923 51 W HA 0.629 5.297 4.660 0.014 0.000 0.373 51 W C -0.596 175.905 176.519 -0.031 0.000 1.205 51 W CA -0.967 56.369 57.345 -0.015 0.000 1.180 51 W CB 0.056 29.519 29.460 0.005 0.000 1.477 51 W HN 0.798 nan 8.180 nan 0.000 0.581 52 G N 0.307 109.275 108.800 0.281 0.000 2.509 52 G HA2 0.429 4.397 3.960 0.013 0.000 0.269 52 G HA3 0.429 4.397 3.960 0.013 0.000 0.269 52 G C -0.651 174.345 174.900 0.161 0.000 1.416 52 G CA -0.548 44.641 45.100 0.148 0.000 1.052 52 G HN 0.805 nan 8.290 nan 0.000 0.542 53 V N -0.663 119.286 119.914 0.059 0.000 3.185 53 V HA 0.507 4.635 4.120 0.013 0.000 0.305 53 V C 1.505 177.605 176.094 0.009 0.000 1.090 53 V CA 1.696 63.980 62.300 -0.026 0.000 1.107 53 V CB 1.035 32.702 31.823 -0.260 0.000 1.061 53 V HN 2.032 nan 8.190 nan 0.000 0.480 54 G N 2.296 111.090 108.800 -0.010 0.000 2.211 54 G HA2 0.231 4.199 3.960 0.013 0.000 0.201 54 G HA3 0.231 4.199 3.960 0.013 0.000 0.201 54 G C 1.328 176.252 174.900 0.041 0.000 0.997 54 G CA 0.378 45.476 45.100 -0.003 0.000 0.652 54 G HN 2.517 nan 8.290 nan 0.000 0.500 55 G N -1.439 107.425 108.800 0.107 0.000 2.587 55 G HA2 0.124 4.092 3.960 0.013 0.000 0.212 55 G HA3 0.124 4.092 3.960 0.013 0.000 0.212 55 G C 0.733 175.684 174.900 0.085 0.000 1.327 55 G CA 0.725 45.904 45.100 0.131 0.000 0.898 55 G HN 1.155 nan 8.290 nan 0.000 0.551 56 T N -0.460 114.134 114.554 0.067 0.000 2.812 56 T HA -0.120 4.238 4.350 0.013 0.000 0.264 56 T C 2.464 177.115 174.700 -0.080 0.000 1.042 56 T CA 2.510 64.604 62.100 -0.009 0.000 1.140 56 T CB -0.565 68.335 68.868 0.055 0.000 0.870 56 T HN 1.049 nan 8.240 nan 0.000 0.445 57 c N 1.265 119.844 118.600 -0.034 0.000 2.413 57 c HA -0.061 4.517 4.570 0.013 0.000 0.277 57 c C 2.750 176.767 174.090 -0.121 0.000 1.228 57 c CA 0.683 56.977 56.329 -0.057 0.000 1.731 57 c CB -1.213 41.286 42.510 -0.019 0.000 2.042 57 c HN 0.365 nan 8.230 nan 0.000 0.468 58 V N 1.879 121.736 119.914 -0.096 0.000 2.343 58 V HA -0.173 3.955 4.120 0.013 0.000 0.247 58 V C 2.316 178.304 176.094 -0.176 0.000 1.051 58 V CA 2.436 64.674 62.300 -0.103 0.000 1.036 58 V CB -0.682 31.116 31.823 -0.042 0.000 0.654 58 V HN 0.602 nan 8.190 nan 0.000 0.451 59 N N -0.084 118.472 118.700 -0.240 0.000 2.387 59 N HA 0.015 4.763 4.740 0.013 0.000 0.176 59 N C 1.088 176.285 175.510 -0.521 0.000 1.022 59 N CA 1.648 54.475 53.050 -0.372 0.000 0.883 59 N CB 1.035 39.195 38.487 -0.544 0.000 1.019 59 N HN 0.543 nan 8.380 nan 0.000 0.435 60 V N -3.551 116.047 119.914 -0.526 0.000 3.157 60 V HA 0.649 4.777 4.120 0.013 0.000 0.361 60 V C 0.433 176.431 176.094 -0.159 0.000 1.421 60 V CA -0.198 61.876 62.300 -0.378 0.000 1.213 60 V CB 0.560 31.984 31.823 -0.665 0.000 1.164 60 V HN 0.121 nan 8.190 nan 0.000 0.559 61 G N 0.014 108.651 108.800 -0.272 0.000 3.382 61 G HA2 0.224 4.192 3.960 0.013 0.000 0.183 61 G HA3 0.224 4.192 3.960 0.013 0.000 0.183 61 G C 0.942 175.716 174.900 -0.210 0.000 1.246 61 G CA 0.660 45.686 45.100 -0.124 0.000 0.828 61 G HN 0.273 nan 8.290 nan 0.000 0.728 62 c N 0.975 119.511 118.600 -0.108 0.000 2.401 62 c HA -0.029 4.550 4.570 0.013 0.000 0.276 62 c C 2.729 176.661 174.090 -0.264 0.000 1.233 62 c CA 0.392 56.651 56.329 -0.117 0.000 1.753 62 c CB -1.245 41.228 42.510 -0.062 0.000 2.029 62 c HN 0.389 nan 8.230 nan 0.000 0.478 63 I N 2.317 122.708 120.570 -0.298 0.000 2.110 63 I HA -0.066 4.112 4.170 0.013 0.000 0.236 63 I C 0.153 175.963 176.117 -0.512 0.000 1.068 63 I CA 1.476 62.557 61.300 -0.365 0.000 1.333 63 I CB -2.701 35.122 38.000 -0.295 0.000 1.054 63 I HN 0.192 nan 8.210 nan 0.000 0.402 64 P HA -0.202 nan 4.420 nan 0.000 0.216 64 P C 1.620 178.392 177.300 -0.881 0.000 1.150 64 P CA 1.561 64.173 63.100 -0.813 0.000 0.837 64 P CB -0.148 30.898 31.700 -1.091 0.000 0.786 65 K N 1.223 121.095 120.400 -0.879 0.000 2.026 65 K HA -0.189 4.139 4.320 0.013 0.000 0.208 65 K C 2.117 178.556 176.600 -0.269 0.000 1.048 65 K CA 1.798 57.872 56.287 -0.354 0.000 0.929 65 K CB -0.549 31.938 32.500 -0.021 0.000 0.713 65 K HN -0.124 nan 8.250 nan 0.000 0.439 66 K N 1.013 121.207 120.400 -0.344 0.000 2.057 66 K HA -0.036 4.292 4.320 0.013 0.000 0.207 66 K C 2.245 178.696 176.600 -0.249 0.000 1.049 66 K CA 1.198 57.284 56.287 -0.336 0.000 0.931 66 K CB -0.254 31.989 32.500 -0.428 0.000 0.714 66 K HN 0.211 nan 8.250 nan 0.000 0.440 67 L N -0.154 120.866 121.223 -0.338 0.000 2.093 67 L HA -0.125 4.223 4.340 0.013 0.000 0.208 67 L C 2.360 179.065 176.870 -0.275 0.000 1.085 67 L CA 0.754 55.410 54.840 -0.307 0.000 0.755 67 L CB -0.405 41.424 42.059 -0.382 0.000 0.904 67 L HN 0.225 nan 8.230 nan 0.000 0.435 68 M N -1.099 118.271 119.600 -0.383 0.000 2.175 68 M HA -0.216 4.272 4.480 0.013 0.000 0.264 68 M C 2.306 178.474 176.300 -0.221 0.000 1.063 68 M CA 1.636 56.646 55.300 -0.482 0.000 1.119 68 M CB -1.379 30.486 32.600 -1.224 0.000 1.377 68 M HN 0.389 nan 8.290 nan 0.000 0.415 69 H N 0.152 119.106 119.070 -0.193 0.000 2.319 69 H HA -0.235 4.330 4.556 0.014 0.000 0.299 69 H C 2.161 177.503 175.328 0.023 0.000 1.092 69 H CA 2.205 58.286 56.048 0.055 0.000 1.302 69 H CB 0.196 30.006 29.762 0.080 0.000 1.373 69 H HN 0.331 nan 8.280 nan 0.000 0.497 70 Q N 0.934 120.657 119.800 -0.129 0.000 2.084 70 Q HA -0.081 4.267 4.340 0.013 0.000 0.202 70 Q C 2.375 178.303 176.000 -0.120 0.000 0.978 70 Q CA 1.899 57.599 55.803 -0.172 0.000 0.844 70 Q CB -0.502 28.157 28.738 -0.132 0.000 0.898 70 Q HN 0.508 nan 8.270 nan 0.000 0.426 71 A N -0.338 122.426 122.820 -0.093 0.000 1.908 71 A HA -0.220 4.108 4.320 0.013 0.000 0.218 71 A C 2.324 179.905 177.584 -0.006 0.000 1.181 71 A CA 2.007 54.014 52.037 -0.050 0.000 0.627 71 A CB -1.262 17.713 19.000 -0.041 0.000 0.818 71 A HN 0.483 nan 8.150 nan 0.000 0.445 72 S N -0.533 115.188 115.700 0.035 0.000 2.356 72 S HA -0.103 4.375 4.470 0.013 0.000 0.223 72 S C 1.947 176.559 174.600 0.019 0.000 1.032 72 S CA 1.466 59.716 58.200 0.083 0.000 1.005 72 S CB -0.506 62.813 63.200 0.199 0.000 0.867 72 S HN 0.482 nan 8.310 nan 0.000 0.449 73 L N 0.988 122.169 121.223 -0.070 0.000 2.079 73 L HA -0.105 4.243 4.340 0.013 0.000 0.210 73 L C 2.387 179.230 176.870 -0.045 0.000 1.081 73 L CA 1.046 55.840 54.840 -0.078 0.000 0.752 73 L CB -0.509 41.446 42.059 -0.173 0.000 0.896 73 L HN 0.355 nan 8.230 nan 0.000 0.433 74 L N -0.750 120.439 121.223 -0.058 0.000 2.141 74 L HA -0.113 4.235 4.340 0.013 0.000 0.209 74 L C 2.669 179.504 176.870 -0.057 0.000 1.094 74 L CA 1.168 55.971 54.840 -0.062 0.000 0.763 74 L CB -1.067 40.948 42.059 -0.072 0.000 0.908 74 L HN 0.304 nan 8.230 nan 0.000 0.437 75 G N -0.191 108.594 108.800 -0.026 0.000 2.440 75 G HA2 -0.242 3.726 3.960 0.013 0.000 0.218 75 G HA3 -0.242 3.726 3.960 0.013 0.000 0.218 75 G C 1.412 176.339 174.900 0.045 0.000 1.154 75 G CA 0.633 45.722 45.100 -0.017 0.000 0.767 75 G HN 0.426 nan 8.290 nan 0.000 0.552 76 E N 0.662 120.920 120.200 0.098 0.000 2.077 76 E HA -0.066 4.292 4.350 0.013 0.000 0.193 76 E C 2.949 179.594 176.600 0.075 0.000 0.989 76 E CA 0.748 57.231 56.400 0.138 0.000 0.800 76 E CB -0.237 29.499 29.700 0.060 0.000 0.746 76 E HN 0.409 nan 8.360 nan 0.000 0.452 77 A N 1.189 124.010 122.820 0.002 0.000 1.940 77 A HA -0.174 4.154 4.320 0.013 0.000 0.219 77 A C 2.538 180.082 177.584 -0.066 0.000 1.176 77 A CA 1.343 53.359 52.037 -0.035 0.000 0.631 77 A CB -0.746 18.213 19.000 -0.069 0.000 0.814 77 A HN 0.122 nan 8.150 nan 0.000 0.446 78 V N -0.140 119.697 119.914 -0.128 0.000 2.295 78 V HA -0.271 3.857 4.120 0.013 0.000 0.246 78 V C 2.449 178.452 176.094 -0.152 0.000 1.049 78 V CA 2.121 64.302 62.300 -0.199 0.000 1.024 78 V CB -1.088 30.554 31.823 -0.301 0.000 0.648 78 V HN 0.663 nan 8.190 nan 0.000 0.447 79 H N 0.429 119.498 119.070 -0.001 0.000 2.353 79 H HA -0.149 4.416 4.556 0.015 0.000 0.300 79 H C 2.390 177.752 175.328 0.057 0.000 1.090 79 H CA 1.938 57.998 56.048 0.021 0.000 1.327 79 H CB -0.155 29.610 29.762 0.005 0.000 1.383 79 H HN 0.577 nan 8.280 nan 0.000 0.508 80 E N 0.622 120.926 120.200 0.174 0.000 2.106 80 E HA -0.083 4.275 4.350 0.013 0.000 0.192 80 E C 2.488 179.270 176.600 0.303 0.000 0.984 80 E CA 0.722 57.249 56.400 0.212 0.000 0.806 80 E CB -0.038 29.765 29.700 0.172 0.000 0.750 80 E HN 0.386 nan 8.360 nan 0.000 0.458 81 A N 1.676 124.599 122.820 0.173 0.000 1.917 81 A HA -0.236 4.092 4.320 0.013 0.000 0.219 81 A C 2.426 180.255 177.584 0.408 0.000 1.182 81 A CA 1.906 54.076 52.037 0.223 0.000 0.633 81 A CB -0.793 18.139 19.000 -0.114 0.000 0.819 81 A HN 0.315 nan 8.150 nan 0.000 0.448 82 A N -0.315 122.662 122.820 0.262 0.000 1.940 82 A HA 0.137 4.465 4.320 0.013 0.000 0.219 82 A C 2.469 180.182 177.584 0.216 0.000 1.176 82 A CA 2.106 54.283 52.037 0.234 0.000 0.631 82 A CB -0.951 18.143 19.000 0.157 0.000 0.814 82 A HN 1.159 nan 8.150 nan 0.000 0.446 83 A N -1.926 121.021 122.820 0.213 0.000 2.015 83 A HA -0.029 4.299 4.320 0.013 0.000 0.219 83 A C 1.781 179.403 177.584 0.063 0.000 1.163 83 A CA 1.171 53.272 52.037 0.107 0.000 0.646 83 A CB -0.654 18.378 19.000 0.054 0.000 0.806 83 A HN 0.616 nan 8.150 nan 0.000 0.448 84 Y N -0.921 119.467 120.300 0.146 0.000 2.471 84 Y HA 0.330 4.887 4.550 0.012 0.000 0.286 84 Y C 1.760 177.675 175.900 0.026 0.000 1.188 84 Y CA 0.535 58.708 58.100 0.122 0.000 1.286 84 Y CB 0.260 38.844 38.460 0.207 0.000 1.072 84 Y HN 0.447 nan 8.280 nan 0.000 0.517 85 G N -1.662 107.230 108.800 0.154 0.000 2.179 85 G HA2 -0.255 3.713 3.960 0.013 0.000 0.220 85 G HA3 -0.255 3.713 3.960 0.013 0.000 0.220 85 G C -0.203 174.688 174.900 -0.015 0.000 0.990 85 G CA -0.642 44.467 45.100 0.015 0.000 0.646 85 G HN 0.276 nan 8.290 nan 0.000 0.517 86 W N 1.724 123.073 121.300 0.082 0.000 2.218 86 W HA 0.480 5.142 4.660 0.002 0.000 0.326 86 W C 1.227 177.769 176.519 0.038 0.000 1.276 86 W CA -0.059 57.317 57.345 0.051 0.000 1.210 86 W CB 0.543 30.029 29.460 0.044 0.000 1.143 86 W HN 0.278 nan 8.180 nan 0.000 0.563 87 N N 2.153 121.025 118.700 0.286 0.000 2.441 87 N HA -0.031 4.718 4.740 0.013 0.000 0.225 87 N C -0.436 175.162 175.510 0.145 0.000 1.208 87 N CA -0.145 53.005 53.050 0.166 0.000 0.847 87 N CB -1.124 37.431 38.487 0.114 0.000 1.121 87 N HN 0.194 nan 8.380 nan 0.000 0.479 88 V N -2.165 117.846 119.914 0.162 0.000 2.637 88 V HA 0.192 4.320 4.120 0.013 0.000 0.296 88 V C 0.266 176.390 176.094 0.049 0.000 1.046 88 V CA -0.913 61.433 62.300 0.077 0.000 1.066 88 V CB 0.778 32.616 31.823 0.024 0.000 0.968 88 V HN 0.072 nan 8.190 nan 0.000 0.483 89 D N 3.410 123.823 120.400 0.021 0.000 2.374 89 D HA 0.070 4.718 4.640 0.013 0.000 0.240 89 D C 0.897 177.190 176.300 -0.012 0.000 1.229 89 D CA 0.098 54.107 54.000 0.016 0.000 0.895 89 D CB 0.879 41.687 40.800 0.013 0.000 1.046 89 D HN 0.827 nan 8.370 nan 0.000 0.498 90 D N 2.792 123.196 120.400 0.006 0.000 2.311 90 D HA -0.194 4.454 4.640 0.013 0.000 0.212 90 D C 0.122 176.436 176.300 0.024 0.000 0.972 90 D CA 0.628 54.627 54.000 -0.001 0.000 0.887 90 D CB 0.378 41.249 40.800 0.118 0.000 0.915 90 D HN 0.150 nan 8.370 nan 0.000 0.497 91 K N 1.220 121.643 120.400 0.038 0.000 2.231 91 K HA 0.262 4.590 4.320 0.013 0.000 0.275 91 K C -0.265 176.348 176.600 0.022 0.000 1.105 91 K CA -0.316 56.006 56.287 0.059 0.000 0.931 91 K CB -0.166 32.361 32.500 0.045 0.000 1.296 91 K HN 0.165 nan 8.250 nan 0.000 0.446 92 I N -0.878 119.705 120.570 0.022 0.000 2.934 92 I HA 0.639 4.817 4.170 0.013 0.000 0.306 92 I C -1.221 174.900 176.117 0.005 0.000 1.110 92 I CA -1.179 60.112 61.300 -0.014 0.000 1.019 92 I CB 2.356 40.307 38.000 -0.081 0.000 1.227 92 I HN 0.343 nan 8.210 nan 0.000 0.434 93 K N 3.529 123.928 120.400 -0.001 0.000 2.543 93 K HA 0.609 4.937 4.320 0.013 0.000 0.255 93 K C -2.927 173.685 176.600 0.021 0.000 0.934 93 K CA -1.209 55.079 56.287 0.002 0.000 0.810 93 K CB 2.132 34.639 32.500 0.011 0.000 1.315 93 K HN 0.673 nan 8.250 nan 0.000 0.433 94 P HA 0.183 nan 4.420 nan 0.000 0.282 94 P C -1.266 176.128 177.300 0.157 0.000 1.249 94 P CA -0.331 62.824 63.100 0.091 0.000 0.806 94 P CB 0.925 32.701 31.700 0.127 0.000 0.984 95 D N 2.089 122.575 120.400 0.143 0.000 2.393 95 D HA -0.023 4.625 4.640 0.013 0.000 0.232 95 D C 0.960 177.404 176.300 0.240 0.000 1.192 95 D CA -0.422 53.686 54.000 0.181 0.000 0.882 95 D CB 0.141 41.011 40.800 0.117 0.000 1.038 95 D HN 0.458 nan 8.370 nan 0.000 0.499 96 W N 5.280 126.674 121.300 0.157 0.000 2.358 96 W HA -0.217 4.450 4.660 0.013 0.000 0.303 96 W C 1.549 178.141 176.519 0.122 0.000 1.208 96 W CA 0.976 58.419 57.345 0.164 0.000 1.274 96 W CB -0.167 29.411 29.460 0.197 0.000 1.138 96 W HN 0.637 nan 8.180 nan 0.000 0.515 97 H N 1.095 120.228 119.070 0.105 0.000 2.353 97 H HA -0.184 4.380 4.556 0.013 0.000 0.300 97 H C 2.272 177.544 175.328 -0.094 0.000 1.090 97 H CA 2.231 58.267 56.048 -0.020 0.000 1.327 97 H CB -0.158 29.643 29.762 0.066 0.000 1.383 97 H HN 0.156 nan 8.280 nan 0.000 0.508 98 K N 0.207 120.612 120.400 0.008 0.000 2.057 98 K HA -0.125 4.203 4.320 0.013 0.000 0.206 98 K C 2.377 178.882 176.600 -0.158 0.000 1.050 98 K CA 1.115 57.373 56.287 -0.048 0.000 0.935 98 K CB -0.092 32.422 32.500 0.022 0.000 0.715 98 K HN 0.182 nan 8.250 nan 0.000 0.439 99 L N 0.973 122.085 121.223 -0.185 0.000 2.005 99 L HA -0.124 4.224 4.340 0.013 0.000 0.207 99 L C 2.012 178.654 176.870 -0.380 0.000 1.072 99 L CA 1.466 56.156 54.840 -0.250 0.000 0.744 99 L CB -0.572 41.346 42.059 -0.234 0.000 0.895 99 L HN -0.005 nan 8.230 nan 0.000 0.433 100 V N -0.147 119.420 119.914 -0.579 0.000 2.332 100 V HA -0.290 3.838 4.120 0.013 0.000 0.248 100 V C 2.687 178.559 176.094 -0.371 0.000 1.055 100 V CA 1.824 63.784 62.300 -0.566 0.000 1.038 100 V CB -0.690 30.717 31.823 -0.695 0.000 0.651 100 V HN 0.554 nan 8.190 nan 0.000 0.450 101 Q N -0.553 119.012 119.800 -0.392 0.000 2.230 101 Q HA -0.073 4.275 4.340 0.013 0.000 0.202 101 Q C 2.477 178.370 176.000 -0.179 0.000 0.963 101 Q CA 1.426 57.057 55.803 -0.287 0.000 0.866 101 Q CB -0.306 28.227 28.738 -0.342 0.000 0.931 101 Q HN 0.644 nan 8.270 nan 0.000 0.452 102 S N 0.164 115.759 115.700 -0.175 0.000 2.371 102 S HA -0.065 4.413 4.470 0.013 0.000 0.224 102 S C 2.160 176.700 174.600 -0.101 0.000 1.029 102 S CA 0.843 58.974 58.200 -0.116 0.000 0.978 102 S CB -0.109 63.026 63.200 -0.109 0.000 0.833 102 S HN 0.126 nan 8.310 nan 0.000 0.466 103 V N 2.266 122.084 119.914 -0.160 0.000 2.343 103 V HA -0.169 3.959 4.120 0.013 0.000 0.247 103 V C 2.637 178.665 176.094 -0.110 0.000 1.051 103 V CA 1.462 63.659 62.300 -0.172 0.000 1.036 103 V CB -0.623 31.048 31.823 -0.253 0.000 0.654 103 V HN 0.409 nan 8.190 nan 0.000 0.451 104 Q N -0.012 119.721 119.800 -0.112 0.000 2.084 104 Q HA -0.205 4.143 4.340 0.013 0.000 0.202 104 Q C 2.237 178.222 176.000 -0.024 0.000 0.978 104 Q CA 1.749 57.514 55.803 -0.063 0.000 0.844 104 Q CB -0.842 27.854 28.738 -0.069 0.000 0.898 104 Q HN 0.788 nan 8.270 nan 0.000 0.426 105 N N 0.032 118.712 118.700 -0.033 0.000 2.120 105 N HA -0.222 4.526 4.740 0.013 0.000 0.188 105 N C 1.787 177.302 175.510 0.007 0.000 1.024 105 N CA 1.199 54.236 53.050 -0.022 0.000 0.852 105 N CB -0.087 38.375 38.487 -0.042 0.000 1.003 105 N HN 0.400 nan 8.380 nan 0.000 0.424 106 H N 0.422 119.443 119.070 -0.083 0.000 2.319 106 H HA -0.035 4.529 4.556 0.013 0.000 0.299 106 H C 2.311 177.600 175.328 -0.065 0.000 1.092 106 H CA 2.110 58.111 56.048 -0.079 0.000 1.302 106 H CB -0.017 29.681 29.762 -0.106 0.000 1.373 106 H HN 0.200 nan 8.280 nan 0.000 0.497 107 I N 0.471 121.132 120.570 0.152 0.000 2.202 107 I HA -0.242 3.936 4.170 0.013 0.000 0.242 107 I C 2.327 178.484 176.117 0.067 0.000 1.091 107 I CA 1.417 62.769 61.300 0.086 0.000 1.368 107 I CB -0.212 37.786 38.000 -0.004 0.000 1.058 107 I HN 0.278 nan 8.210 nan 0.000 0.410 108 K N 0.368 120.799 120.400 0.052 0.000 2.147 108 K HA -0.102 4.226 4.320 0.013 0.000 0.205 108 K C 2.270 178.920 176.600 0.083 0.000 1.049 108 K CA 1.441 57.767 56.287 0.065 0.000 0.936 108 K CB -0.124 32.401 32.500 0.042 0.000 0.722 108 K HN 0.195 nan 8.250 nan 0.000 0.446 109 S N 0.671 116.395 115.700 0.039 0.000 2.368 109 S HA -0.104 4.374 4.470 0.013 0.000 0.224 109 S C 2.106 176.766 174.600 0.100 0.000 1.029 109 S CA 1.095 59.321 58.200 0.043 0.000 0.988 109 S CB -0.166 62.999 63.200 -0.058 0.000 0.838 109 S HN 0.038 nan 8.310 nan 0.000 0.462 110 V N 3.165 123.105 119.914 0.044 0.000 2.343 110 V HA -0.186 3.942 4.120 0.013 0.000 0.247 110 V C 2.152 178.283 176.094 0.062 0.000 1.051 110 V CA 1.563 63.889 62.300 0.044 0.000 1.036 110 V CB -0.877 30.970 31.823 0.039 0.000 0.654 110 V HN 0.413 nan 8.190 nan 0.000 0.451 111 N N -0.889 117.859 118.700 0.080 0.000 2.094 111 N HA -0.248 4.500 4.740 0.013 0.000 0.191 111 N C 1.450 177.009 175.510 0.082 0.000 1.023 111 N CA 1.947 55.039 53.050 0.070 0.000 0.857 111 N CB -0.501 38.045 38.487 0.099 0.000 1.013 111 N HN 0.724 nan 8.380 nan 0.000 0.426 112 W N 1.693 122.979 121.300 -0.024 0.000 2.379 112 W HA -0.081 4.588 4.660 0.014 0.000 0.307 112 W C 2.056 178.557 176.519 -0.030 0.000 1.200 112 W CA 0.875 58.207 57.345 -0.022 0.000 1.297 112 W CB -0.425 29.023 29.460 -0.020 0.000 1.140 112 W HN -0.224 nan 8.180 nan 0.000 0.507 113 V N 0.485 120.444 119.914 0.074 0.000 2.332 113 V HA -0.376 3.752 4.120 0.013 0.000 0.248 113 V C 2.195 178.164 176.094 -0.209 0.000 1.055 113 V CA 2.498 64.736 62.300 -0.105 0.000 1.038 113 V CB -1.451 30.393 31.823 0.035 0.000 0.651 113 V HN 0.232 nan 8.190 nan 0.000 0.450 114 T N -0.603 113.864 114.554 -0.144 0.000 2.777 114 T HA -0.146 4.212 4.350 0.013 0.000 0.266 114 T C 2.132 176.694 174.700 -0.231 0.000 1.040 114 T CA 1.019 63.024 62.100 -0.159 0.000 1.141 114 T CB -0.231 68.567 68.868 -0.117 0.000 0.868 114 T HN 0.279 nan 8.240 nan 0.000 0.444 115 R N 0.761 121.094 120.500 -0.278 0.000 2.091 115 R HA -0.021 4.327 4.340 0.013 0.000 0.238 115 R C 2.516 178.615 176.300 -0.334 0.000 1.136 115 R CA 0.818 56.741 56.100 -0.294 0.000 0.959 115 R CB -1.299 28.838 30.300 -0.270 0.000 0.856 115 R HN 0.320 nan 8.270 nan 0.000 0.437 116 V N 1.378 120.983 119.914 -0.515 0.000 2.295 116 V HA -0.249 3.879 4.120 0.013 0.000 0.246 116 V C 2.005 177.940 176.094 -0.265 0.000 1.049 116 V CA 2.164 64.183 62.300 -0.468 0.000 1.024 116 V CB -0.547 30.875 31.823 -0.669 0.000 0.648 116 V HN 0.230 nan 8.190 nan 0.000 0.447 117 D N -0.211 120.052 120.400 -0.229 0.000 2.123 117 D HA -0.150 4.498 4.640 0.013 0.000 0.196 117 D C 2.049 178.277 176.300 -0.120 0.000 0.992 117 D CA 1.359 55.271 54.000 -0.147 0.000 0.833 117 D CB -0.149 40.578 40.800 -0.122 0.000 0.954 117 D HN 0.371 nan 8.370 nan 0.000 0.455 118 L N -0.251 120.892 121.223 -0.133 0.000 2.005 118 L HA -0.089 4.259 4.340 0.013 0.000 0.207 118 L C 2.698 179.531 176.870 -0.061 0.000 1.072 118 L CA 1.039 55.822 54.840 -0.094 0.000 0.744 118 L CB -0.503 41.487 42.059 -0.116 0.000 0.895 118 L HN 0.006 nan 8.230 nan 0.000 0.433 119 R N 0.336 120.792 120.500 -0.074 0.000 2.091 119 R HA -0.205 4.144 4.340 0.013 0.000 0.238 119 R C 1.771 178.043 176.300 -0.046 0.000 1.136 119 R CA 2.007 58.079 56.100 -0.047 0.000 0.959 119 R CB -0.164 30.098 30.300 -0.063 0.000 0.856 119 R HN 0.293 nan 8.270 nan 0.000 0.437 120 D N -0.021 120.337 120.400 -0.068 0.000 2.264 120 D HA -0.076 4.572 4.640 0.013 0.000 0.208 120 D C 0.837 177.112 176.300 -0.042 0.000 0.966 120 D CA 1.192 55.158 54.000 -0.056 0.000 0.864 120 D CB 0.202 40.959 40.800 -0.072 0.000 0.933 120 D HN 0.246 nan 8.370 nan 0.000 0.499 121 K N -0.089 120.286 120.400 -0.042 0.000 2.414 121 K HA 0.129 4.457 4.320 0.013 0.000 0.204 121 K C 0.228 176.813 176.600 -0.025 0.000 1.026 121 K CA -0.221 56.045 56.287 -0.035 0.000 1.108 121 K CB 1.027 33.503 32.500 -0.041 0.000 0.855 121 K HN -0.216 nan 8.250 nan 0.000 0.517 122 K N 0.231 120.621 120.400 -0.017 0.000 3.446 122 K HA -0.125 4.203 4.320 0.013 0.000 0.312 122 K C -0.666 175.936 176.600 0.004 0.000 1.329 122 K CA 0.447 56.731 56.287 -0.004 0.000 0.935 122 K CB -1.701 30.794 32.500 -0.009 0.000 1.281 122 K HN 0.024 nan 8.250 nan 0.000 0.457 123 V N 2.014 121.927 119.914 -0.002 0.000 2.389 123 V HA 0.093 4.221 4.120 0.013 0.000 0.264 123 V C 0.876 176.991 176.094 0.036 0.000 1.049 123 V CA -0.161 62.142 62.300 0.005 0.000 0.932 123 V CB 1.194 33.012 31.823 -0.009 0.000 1.011 123 V HN 0.127 nan 8.190 nan 0.000 0.475 124 E N 4.473 124.698 120.200 0.041 0.000 2.220 124 E HA 0.023 4.382 4.350 0.013 0.000 0.272 124 E C -1.034 175.614 176.600 0.078 0.000 1.099 124 E CA -0.457 55.979 56.400 0.059 0.000 0.907 124 E CB 0.338 30.079 29.700 0.069 0.000 1.022 124 E HN 0.624 nan 8.360 nan 0.000 0.428 125 Y N 6.253 126.536 120.300 -0.028 0.000 2.383 125 Y HA 0.315 4.873 4.550 0.014 0.000 0.344 125 Y C -0.880 175.013 175.900 -0.013 0.000 0.986 125 Y CA -1.029 57.056 58.100 -0.025 0.000 1.175 125 Y CB 0.337 38.785 38.460 -0.020 0.000 1.152 125 Y HN 0.398 nan 8.280 nan 0.000 0.511 126 I N 7.287 127.741 120.570 -0.193 0.000 2.328 126 I HA 0.169 4.347 4.170 0.013 0.000 0.287 126 I C 0.259 176.145 176.117 -0.384 0.000 1.012 126 I CA -0.358 60.765 61.300 -0.295 0.000 1.195 126 I CB 0.969 38.893 38.000 -0.126 0.000 1.350 126 I HN 0.668 nan 8.210 nan 0.000 0.464 127 N N 6.286 124.661 118.700 -0.542 0.000 3.124 127 N HA 0.289 5.037 4.740 0.013 0.000 0.284 127 N C -0.332 175.225 175.510 0.078 0.000 1.209 127 N CA -0.079 52.827 53.050 -0.239 0.000 1.149 127 N CB 0.278 38.594 38.487 -0.284 0.000 1.434 127 N HN 0.863 nan 8.380 nan 0.000 0.529 128 G N 1.355 110.207 108.800 0.087 0.000 2.692 128 G HA2 0.380 4.348 3.960 0.013 0.000 0.291 128 G HA3 0.380 4.348 3.960 0.013 0.000 0.291 128 G C -1.127 173.734 174.900 -0.064 0.000 1.423 128 G CA -0.663 44.419 45.100 -0.030 0.000 0.843 128 G HN 0.277 nan 8.290 nan 0.000 0.486 129 L N 1.355 122.400 121.223 -0.297 0.000 2.281 129 L HA 0.506 4.854 4.340 0.013 0.000 0.285 129 L C 1.066 177.843 176.870 -0.156 0.000 1.074 129 L CA -0.443 54.264 54.840 -0.222 0.000 0.817 129 L CB 1.060 42.888 42.059 -0.385 0.000 1.168 129 L HN 0.624 nan 8.230 nan 0.000 0.434 130 G N 1.977 110.708 108.800 -0.115 0.000 2.367 130 G HA2 0.547 4.515 3.960 0.013 0.000 0.314 130 G HA3 0.547 4.515 3.960 0.013 0.000 0.314 130 G C -0.641 174.132 174.900 -0.212 0.000 1.130 130 G CA -0.229 44.773 45.100 -0.164 0.000 0.864 130 G HN 0.595 nan 8.290 nan 0.000 0.486 131 S N 0.582 116.129 115.700 -0.255 0.000 2.541 131 S HA 0.652 5.130 4.470 0.013 0.000 0.271 131 S C -0.908 173.503 174.600 -0.316 0.000 1.133 131 S CA -0.878 57.173 58.200 -0.248 0.000 0.876 131 S CB 1.318 64.452 63.200 -0.111 0.000 1.105 131 S HN 0.319 nan 8.310 nan 0.000 0.470 132 F N 1.774 121.640 119.950 -0.141 0.000 2.484 132 F HA 0.318 4.853 4.527 0.014 0.000 0.360 132 F C 1.478 177.217 175.800 -0.103 0.000 1.101 132 F CA -0.097 57.794 58.000 -0.181 0.000 1.251 132 F CB 0.938 39.800 39.000 -0.230 0.000 1.132 132 F HN 0.467 nan 8.300 nan 0.000 0.570 133 V N 0.833 120.822 119.914 0.124 0.000 2.581 133 V HA 0.034 4.162 4.120 0.013 0.000 0.240 133 V C -0.069 176.084 176.094 0.097 0.000 1.054 133 V CA 1.280 63.635 62.300 0.092 0.000 1.076 133 V CB -0.171 31.701 31.823 0.083 0.000 0.748 133 V HN 0.880 nan 8.190 nan 0.000 0.474 134 D N -2.612 117.864 120.400 0.126 0.000 2.825 134 D HA 0.130 4.778 4.640 0.013 0.000 0.327 134 D C 0.761 177.081 176.300 0.034 0.000 1.277 134 D CA 0.321 54.363 54.000 0.070 0.000 0.950 134 D CB 0.653 41.508 40.800 0.093 0.000 1.438 134 D HN -0.013 nan 8.370 nan 0.000 0.526 135 S N -1.729 113.937 115.700 -0.057 0.000 2.547 135 S HA -0.103 4.375 4.470 0.013 0.000 0.235 135 S C 0.432 174.949 174.600 -0.139 0.000 0.980 135 S CA 0.945 59.016 58.200 -0.215 0.000 0.941 135 S CB -0.725 62.324 63.200 -0.252 0.000 0.763 135 S HN 0.571 nan 8.310 nan 0.000 0.532 136 H N -0.106 119.113 119.070 0.249 0.000 2.923 136 H HA 0.362 4.926 4.556 0.013 0.000 0.268 136 H C -0.605 174.992 175.328 0.449 0.000 1.148 136 H CA 0.039 56.286 56.048 0.331 0.000 1.146 136 H CB 1.108 30.889 29.762 0.033 0.000 1.607 136 H HN 0.297 nan 8.280 nan 0.000 0.566 137 T N 1.196 116.047 114.554 0.495 0.000 2.928 137 T HA 0.399 4.757 4.350 0.013 0.000 0.296 137 T C -1.242 173.608 174.700 0.250 0.000 1.000 137 T CA -0.580 61.746 62.100 0.377 0.000 0.989 137 T CB 2.156 71.176 68.868 0.253 0.000 1.005 137 T HN -0.036 nan 8.240 nan 0.000 0.442 138 L N 3.471 124.828 121.223 0.224 0.000 2.365 138 L HA 0.729 5.077 4.340 0.013 0.000 0.273 138 L C -1.153 175.724 176.870 0.011 0.000 1.000 138 L CA -1.009 53.833 54.840 0.003 0.000 0.819 138 L CB 1.637 43.702 42.059 0.010 0.000 1.284 138 L HN 0.611 nan 8.230 nan 0.000 0.418 139 L N 5.019 126.210 121.223 -0.053 0.000 2.290 139 L HA 0.756 5.104 4.340 0.013 0.000 0.284 139 L C -0.376 176.450 176.870 -0.074 0.000 1.078 139 L CA 0.118 54.933 54.840 -0.042 0.000 0.815 139 L CB 0.991 43.024 42.059 -0.043 0.000 1.162 139 L HN 0.725 nan 8.230 nan 0.000 0.435 140 A N 5.826 128.613 122.820 -0.055 0.000 2.291 140 A HA 0.549 4.877 4.320 0.013 0.000 0.311 140 A C -0.478 177.049 177.584 -0.095 0.000 1.224 140 A CA -0.719 51.272 52.037 -0.077 0.000 0.821 140 A CB 0.289 19.258 19.000 -0.051 0.000 1.172 140 A HN 0.705 nan 8.150 nan 0.000 0.494 141 K N 3.229 123.541 120.400 -0.146 0.000 2.253 141 K HA 0.510 4.838 4.320 0.013 0.000 0.277 141 K C -0.897 175.575 176.600 -0.213 0.000 1.053 141 K CA -0.270 55.912 56.287 -0.174 0.000 0.892 141 K CB 0.934 33.304 32.500 -0.216 0.000 1.102 141 K HN 0.520 nan 8.250 nan 0.000 0.469 142 L N 2.788 123.929 121.223 -0.137 0.000 2.333 142 L HA 0.290 4.639 4.340 0.013 0.000 0.269 142 L C 1.214 178.041 176.870 -0.071 0.000 1.010 142 L CA -0.732 54.050 54.840 -0.098 0.000 0.818 142 L CB 1.596 43.619 42.059 -0.060 0.000 1.306 142 L HN 0.482 nan 8.230 nan 0.000 0.430 143 K N 0.958 121.344 120.400 -0.023 0.000 2.113 143 K HA -0.151 4.177 4.320 0.013 0.000 0.208 143 K C 1.850 178.445 176.600 -0.009 0.000 1.047 143 K CA 1.766 58.053 56.287 -0.001 0.000 0.928 143 K CB -0.129 32.396 32.500 0.042 0.000 0.716 143 K HN 0.721 nan 8.250 nan 0.000 0.446 144 S N -1.288 114.405 115.700 -0.011 0.000 2.607 144 S HA 0.226 4.704 4.470 0.013 0.000 0.224 144 S C 0.666 175.256 174.600 -0.017 0.000 0.969 144 S CA 0.125 58.318 58.200 -0.011 0.000 0.927 144 S CB -0.122 63.072 63.200 -0.010 0.000 0.772 144 S HN 0.352 nan 8.310 nan 0.000 0.533 145 G N 1.480 110.264 108.800 -0.027 0.000 2.402 145 G HA2 0.203 4.171 3.960 0.013 0.000 0.666 145 G HA3 0.203 4.171 3.960 0.013 0.000 0.666 145 G C -1.057 173.823 174.900 -0.034 0.000 1.402 145 G CA -0.572 44.512 45.100 -0.027 0.000 0.920 145 G HN 0.409 nan 8.290 nan 0.000 0.651 146 E N 1.667 121.846 120.200 -0.034 0.000 2.373 146 E HA 0.573 4.931 4.350 0.013 0.000 0.263 146 E C -0.255 176.334 176.600 -0.017 0.000 1.073 146 E CA -0.235 56.143 56.400 -0.037 0.000 0.894 146 E CB 1.536 31.213 29.700 -0.039 0.000 1.008 146 E HN 0.620 nan 8.360 nan 0.000 0.420 147 R N 0.582 121.075 120.500 -0.013 0.000 2.750 147 R HA 0.410 4.758 4.340 0.013 0.000 0.281 147 R C -0.968 175.346 176.300 0.024 0.000 0.972 147 R CA -0.726 55.382 56.100 0.013 0.000 0.912 147 R CB 2.225 32.540 30.300 0.025 0.000 1.187 147 R HN 0.597 nan 8.270 nan 0.000 0.464 148 T N 4.637 119.219 114.554 0.046 0.000 2.791 148 T HA 0.457 4.815 4.350 0.013 0.000 0.288 148 T C -0.078 174.688 174.700 0.110 0.000 0.999 148 T CA -0.548 61.592 62.100 0.067 0.000 0.952 148 T CB 0.429 69.334 68.868 0.061 0.000 0.938 148 T HN 0.484 nan 8.240 nan 0.000 0.444 149 I N 0.683 121.342 120.570 0.148 0.000 2.689 149 I HA 0.847 5.025 4.170 0.013 0.000 0.299 149 I C -0.071 176.211 176.117 0.276 0.000 1.059 149 I CA -1.014 60.418 61.300 0.219 0.000 1.055 149 I CB 2.518 40.675 38.000 0.261 0.000 1.243 149 I HN 0.541 nan 8.210 nan 0.000 0.425 150 T N 1.796 116.526 114.554 0.293 0.000 2.912 150 T HA 0.923 5.281 4.350 0.013 0.000 0.288 150 T C -0.433 174.394 174.700 0.212 0.000 1.030 150 T CA -0.652 61.632 62.100 0.308 0.000 1.020 150 T CB 1.906 71.011 68.868 0.395 0.000 1.056 150 T HN 1.206 nan 8.240 nan 0.000 0.480 151 A N 1.233 124.018 122.820 -0.058 0.000 2.606 151 A HA 0.637 4.965 4.320 0.013 0.000 0.293 151 A C 0.681 177.916 177.584 -0.582 0.000 1.082 151 A CA -0.681 51.194 52.037 -0.270 0.000 0.685 151 A CB 1.695 20.357 19.000 -0.563 0.000 1.284 151 A HN 0.782 nan 8.150 nan 0.000 0.408 152 Q N 0.507 120.111 119.800 -0.325 0.000 2.046 152 Q HA 0.010 4.358 4.340 0.013 0.000 0.200 152 Q C 0.928 176.913 176.000 -0.026 0.000 0.975 152 Q CA 2.672 58.377 55.803 -0.162 0.000 0.836 152 Q CB -0.031 28.795 28.738 0.147 0.000 0.896 152 Q HN 1.103 nan 8.270 nan 0.000 0.428 153 T N -2.009 112.494 114.554 -0.085 0.000 2.900 153 T HA 0.622 4.980 4.350 0.013 0.000 0.295 153 T C -1.073 173.530 174.700 -0.162 0.000 1.044 153 T CA -0.851 61.255 62.100 0.010 0.000 0.995 153 T CB 0.725 69.691 68.868 0.163 0.000 1.072 153 T HN 0.015 nan 8.240 nan 0.000 0.473 154 F N 1.541 121.604 119.950 0.188 0.000 2.532 154 F HA 0.708 5.243 4.527 0.013 0.000 0.321 154 F C -0.336 175.611 175.800 0.246 0.000 1.089 154 F CA -0.865 57.261 58.000 0.209 0.000 0.926 154 F CB 2.557 41.737 39.000 0.300 0.000 1.168 154 F HN 0.428 nan 8.300 nan 0.000 0.459 155 V N 4.789 124.934 119.914 0.384 0.000 2.444 155 V HA 0.395 4.524 4.120 0.013 0.000 0.294 155 V C -0.171 176.086 176.094 0.273 0.000 1.022 155 V CA -0.731 61.750 62.300 0.302 0.000 0.850 155 V CB 1.672 33.608 31.823 0.188 0.000 0.992 155 V HN 0.521 nan 8.190 nan 0.000 0.426 156 I N 4.372 125.099 120.570 0.261 0.000 2.312 156 I HA 0.555 4.734 4.170 0.013 0.000 0.291 156 I C 0.645 176.859 176.117 0.161 0.000 1.031 156 I CA 0.013 61.439 61.300 0.210 0.000 1.293 156 I CB 1.411 39.538 38.000 0.213 0.000 1.403 156 I HN 0.704 nan 8.210 nan 0.000 0.484 157 A N 5.965 128.866 122.820 0.135 0.000 2.992 157 A HA 0.336 4.664 4.320 0.013 0.000 0.263 157 A C 0.796 178.445 177.584 0.108 0.000 0.928 157 A CA -0.316 51.791 52.037 0.118 0.000 1.061 157 A CB -0.019 19.046 19.000 0.108 0.000 1.173 157 A HN 0.629 nan 8.150 nan 0.000 0.482 158 V N -2.804 117.175 119.914 0.108 0.000 3.306 158 V HA 0.436 4.565 4.120 0.013 0.000 0.264 158 V C 1.399 177.560 176.094 0.112 0.000 1.149 158 V CA 0.709 63.072 62.300 0.105 0.000 1.143 158 V CB -1.564 30.317 31.823 0.096 0.000 0.767 158 V HN 1.719 nan 8.190 nan 0.000 0.476 159 G N 0.286 109.150 108.800 0.108 0.000 2.578 159 G HA2 0.121 4.090 3.960 0.013 0.000 0.275 159 G HA3 0.121 4.090 3.960 0.013 0.000 0.275 159 G C 0.304 175.269 174.900 0.108 0.000 1.271 159 G CA 0.198 45.362 45.100 0.108 0.000 0.941 159 G HN 1.634 nan 8.290 nan 0.000 0.564 160 G N -1.866 107.003 108.800 0.115 0.000 3.022 160 G HA2 0.793 4.761 3.960 0.013 0.000 0.284 160 G HA3 0.793 4.761 3.960 0.013 0.000 0.284 160 G C -0.970 174.010 174.900 0.135 0.000 1.375 160 G CA -0.363 44.804 45.100 0.113 0.000 0.902 160 G HN 0.731 nan 8.290 nan 0.000 0.538 161 R N -0.857 119.720 120.500 0.129 0.000 2.799 161 R HA 0.473 4.822 4.340 0.013 0.000 0.270 161 R C -2.906 173.467 176.300 0.121 0.000 1.010 161 R CA -1.797 54.395 56.100 0.153 0.000 0.916 161 R CB 1.536 31.946 30.300 0.182 0.000 1.228 161 R HN 0.269 nan 8.270 nan 0.000 0.469 162 P HA 0.148 nan 4.420 nan 0.000 0.268 162 P C -0.381 176.947 177.300 0.046 0.000 1.205 162 P CA 0.031 63.159 63.100 0.046 0.000 0.771 162 P CB 0.555 32.258 31.700 0.004 0.000 0.858 163 R N 2.063 122.562 120.500 -0.001 0.000 2.500 163 R HA 0.411 4.759 4.340 0.013 0.000 0.275 163 R C -0.440 175.795 176.300 -0.109 0.000 1.051 163 R CA -0.315 55.795 56.100 0.016 0.000 1.088 163 R CB 0.477 30.775 30.300 -0.002 0.000 1.063 163 R HN 0.467 nan 8.270 nan 0.000 0.511 164 Y N 1.638 121.868 120.300 -0.117 0.000 2.409 164 Y HA 0.302 4.860 4.550 0.014 0.000 0.339 164 Y C -1.608 174.047 175.900 -0.408 0.000 1.033 164 Y CA -2.403 55.501 58.100 -0.327 0.000 1.094 164 Y CB 1.104 39.425 38.460 -0.232 0.000 1.210 164 Y HN 0.457 nan 8.280 nan 0.000 0.456 165 P HA -0.000 nan 4.420 nan 0.000 0.271 165 P C -0.647 176.488 177.300 -0.275 0.000 1.218 165 P CA -0.238 62.608 63.100 -0.423 0.000 0.780 165 P CB 1.005 32.314 31.700 -0.653 0.000 0.901 166 D N 2.003 122.307 120.400 -0.159 0.000 2.608 166 D HA 0.319 4.967 4.640 0.013 0.000 0.224 166 D C -0.763 175.486 176.300 -0.084 0.000 1.123 166 D CA 0.000 53.940 54.000 -0.100 0.000 1.030 166 D CB -1.149 39.613 40.800 -0.063 0.000 1.093 166 D HN 0.123 nan 8.370 nan 0.000 0.497 167 I N 1.977 122.491 120.570 -0.093 0.000 2.802 167 I HA 0.354 4.532 4.170 0.013 0.000 0.298 167 I C -2.272 173.852 176.117 0.012 0.000 1.176 167 I CA -2.519 58.758 61.300 -0.040 0.000 1.025 167 I CB 2.351 40.311 38.000 -0.067 0.000 1.243 167 I HN 0.019 nan 8.210 nan 0.000 0.424 168 P HA 0.281 nan 4.420 nan 0.000 0.264 168 P C 0.541 177.938 177.300 0.162 0.000 1.193 168 P CA 0.597 63.746 63.100 0.082 0.000 0.763 168 P CB 0.449 32.198 31.700 0.081 0.000 0.810 169 G N 2.546 111.445 108.800 0.165 0.000 2.195 169 G HA2 -0.320 3.648 3.960 0.013 0.000 0.246 169 G HA3 -0.320 3.648 3.960 0.013 0.000 0.246 169 G C 1.191 176.283 174.900 0.321 0.000 0.984 169 G CA 0.500 45.775 45.100 0.291 0.000 0.633 169 G HN 0.667 nan 8.290 nan 0.000 0.525 170 A N 0.171 123.159 122.820 0.281 0.000 1.865 170 A HA 0.149 4.477 4.320 0.013 0.000 0.217 170 A C 2.851 180.767 177.584 0.554 0.000 1.191 170 A CA 3.828 56.137 52.037 0.454 0.000 0.623 170 A CB -0.818 18.190 19.000 0.014 0.000 0.826 170 A HN 1.727 nan 8.150 nan 0.000 0.444 171 V N -2.437 117.554 119.914 0.128 0.000 2.535 171 V HA -0.069 4.059 4.120 0.013 0.000 0.246 171 V C 2.123 178.204 176.094 -0.022 0.000 1.045 171 V CA 2.056 64.297 62.300 -0.099 0.000 1.058 171 V CB -0.779 30.800 31.823 -0.407 0.000 0.689 171 V HN 0.628 nan 8.190 nan 0.000 0.461 172 E N -0.457 119.656 120.200 -0.145 0.000 2.072 172 E HA -0.180 4.178 4.350 0.013 0.000 0.191 172 E C 1.924 178.343 176.600 -0.302 0.000 0.985 172 E CA 1.912 58.090 56.400 -0.371 0.000 0.801 172 E CB -0.119 29.115 29.700 -0.777 0.000 0.750 172 E HN 0.771 nan 8.360 nan 0.000 0.452 173 Y N -0.879 119.511 120.300 0.149 0.000 2.498 173 Y HA 0.333 4.891 4.550 0.013 0.000 0.259 173 Y C 1.134 177.077 175.900 0.072 0.000 1.086 173 Y CA 0.256 58.418 58.100 0.103 0.000 1.287 173 Y CB 0.196 38.712 38.460 0.094 0.000 1.146 173 Y HN -0.016 nan 8.280 nan 0.000 0.523 174 G N 0.956 109.940 108.800 0.308 0.000 2.528 174 G HA2 0.557 4.525 3.960 0.013 0.000 0.289 174 G HA3 0.557 4.525 3.960 0.013 0.000 0.289 174 G C -0.354 174.594 174.900 0.080 0.000 1.192 174 G CA -0.397 44.718 45.100 0.024 0.000 0.921 174 G HN 0.191 nan 8.290 nan 0.000 0.512 175 I N -2.376 118.086 120.570 -0.180 0.000 3.239 175 I HA 0.899 5.077 4.170 0.013 0.000 0.314 175 I C 0.101 176.124 176.117 -0.158 0.000 1.126 175 I CA -1.030 60.237 61.300 -0.055 0.000 0.973 175 I CB 2.367 40.320 38.000 -0.079 0.000 1.252 175 I HN 0.673 nan 8.210 nan 0.000 0.463 176 T N -1.981 112.520 114.554 -0.088 0.000 2.773 176 T HA 0.325 4.683 4.350 0.013 0.000 0.278 176 T C 0.930 175.550 174.700 -0.134 0.000 1.011 176 T CA 0.029 62.053 62.100 -0.126 0.000 1.014 176 T CB 1.105 69.907 68.868 -0.110 0.000 1.293 176 T HN 0.844 nan 8.240 nan 0.000 0.554 177 S N -0.096 115.520 115.700 -0.140 0.000 2.419 177 S HA -0.144 4.335 4.470 0.013 0.000 0.235 177 S C 1.218 175.730 174.600 -0.147 0.000 1.019 177 S CA 1.356 59.420 58.200 -0.226 0.000 0.982 177 S CB -0.890 62.266 63.200 -0.072 0.000 0.789 177 S HN 0.696 nan 8.310 nan 0.000 0.490 178 D N 1.992 122.389 120.400 -0.005 0.000 2.178 178 D HA -0.047 4.601 4.640 0.013 0.000 0.201 178 D C 1.461 177.824 176.300 0.106 0.000 0.980 178 D CA 1.190 55.226 54.000 0.060 0.000 0.842 178 D CB -0.304 40.669 40.800 0.289 0.000 0.948 178 D HN 0.506 nan 8.370 nan 0.000 0.472 179 D N -0.091 120.351 120.400 0.070 0.000 2.277 179 D HA -0.008 4.640 4.640 0.013 0.000 0.209 179 D C 2.259 178.571 176.300 0.019 0.000 0.970 179 D CA -0.148 53.904 54.000 0.086 0.000 0.874 179 D CB 0.164 41.014 40.800 0.083 0.000 0.982 179 D HN 0.166 nan 8.370 nan 0.000 0.504 180 L N 0.387 121.528 121.223 -0.137 0.000 2.012 180 L HA -0.199 4.149 4.340 0.013 0.000 0.210 180 L C 2.032 178.889 176.870 -0.023 0.000 1.073 180 L CA 1.369 56.106 54.840 -0.172 0.000 0.748 180 L CB -0.250 41.538 42.059 -0.452 0.000 0.891 180 L HN -0.072 nan 8.230 nan 0.000 0.431 181 F N -0.217 119.802 119.950 0.114 0.000 2.451 181 F HA -0.107 4.428 4.527 0.013 0.000 0.299 181 F C 2.270 178.044 175.800 -0.042 0.000 1.101 181 F CA 0.953 58.963 58.000 0.018 0.000 1.436 181 F CB -0.488 38.463 39.000 -0.081 0.000 1.074 181 F HN 0.219 nan 8.300 nan 0.000 0.553 182 S N -1.067 114.731 115.700 0.164 0.000 2.855 182 S HA 0.240 4.718 4.470 0.013 0.000 0.249 182 S C 0.043 174.736 174.600 0.156 0.000 1.033 182 S CA -0.537 57.719 58.200 0.095 0.000 1.038 182 S CB -0.697 62.563 63.200 0.100 0.000 0.960 182 S HN 0.176 nan 8.310 nan 0.000 0.548 183 L N 2.206 123.594 121.223 0.274 0.000 2.559 183 L HA 0.075 4.423 4.340 0.013 0.000 0.274 183 L C 0.816 177.922 176.870 0.393 0.000 1.205 183 L CA 0.379 55.410 54.840 0.318 0.000 0.907 183 L CB 0.481 42.739 42.059 0.332 0.000 1.153 183 L HN 0.193 nan 8.230 nan 0.000 0.490 184 D N 2.848 123.397 120.400 0.248 0.000 2.182 184 D HA -0.121 4.527 4.640 0.013 0.000 0.201 184 D C 0.549 177.020 176.300 0.285 0.000 0.986 184 D CA 1.295 55.436 54.000 0.235 0.000 0.847 184 D CB 0.214 41.107 40.800 0.154 0.000 0.942 184 D HN 0.584 nan 8.370 nan 0.000 0.467 185 R N -0.618 120.020 120.500 0.230 0.000 2.836 185 R HA 0.468 4.816 4.340 0.013 0.000 0.269 185 R C -0.723 175.474 176.300 -0.171 0.000 1.010 185 R CA -0.859 55.318 56.100 0.128 0.000 0.930 185 R CB 1.179 31.503 30.300 0.040 0.000 1.218 185 R HN -0.225 nan 8.270 nan 0.000 0.473 186 E N 1.299 121.283 120.200 -0.361 0.000 2.452 186 E HA -0.019 4.339 4.350 0.013 0.000 0.261 186 E C -1.661 174.402 176.600 -0.895 0.000 0.987 186 E CA -1.258 54.585 56.400 -0.928 0.000 0.926 186 E CB 0.577 30.018 29.700 -0.432 0.000 0.934 186 E HN 0.443 nan 8.360 nan 0.000 0.452 187 P HA -0.144 nan 4.420 nan 0.000 0.218 187 P C 0.763 177.717 177.300 -0.577 0.000 1.149 187 P CA 1.398 63.978 63.100 -0.865 0.000 0.817 187 P CB 0.090 31.212 31.700 -0.963 0.000 0.785 188 G N -0.171 108.261 108.800 -0.614 0.000 2.566 188 G HA2 -0.337 3.631 3.960 0.013 0.000 0.280 188 G HA3 -0.337 3.631 3.960 0.013 0.000 0.280 188 G C -0.201 174.659 174.900 -0.067 0.000 1.225 188 G CA -0.011 44.994 45.100 -0.159 0.000 0.966 188 G HN 0.509 nan 8.290 nan 0.000 0.560 189 K N 1.054 121.443 120.400 -0.018 0.000 2.378 189 K HA 0.463 4.791 4.320 0.013 0.000 0.288 189 K C -0.572 176.062 176.600 0.057 0.000 1.057 189 K CA 0.669 56.977 56.287 0.035 0.000 0.971 189 K CB -0.097 32.418 32.500 0.026 0.000 0.975 189 K HN 0.497 nan 8.250 nan 0.000 0.475 190 T N 5.151 119.719 114.554 0.023 0.000 2.841 190 T HA 0.224 4.582 4.350 0.013 0.000 0.285 190 T C -1.088 173.463 174.700 -0.247 0.000 0.991 190 T CA -0.722 61.302 62.100 -0.126 0.000 0.966 190 T CB 1.004 69.744 68.868 -0.213 0.000 0.962 190 T HN 0.444 nan 8.240 nan 0.000 0.438 191 L N 5.094 125.963 121.223 -0.591 0.000 2.281 191 L HA 0.566 4.914 4.340 0.013 0.000 0.285 191 L C -0.749 175.796 176.870 -0.542 0.000 1.074 191 L CA -0.189 54.166 54.840 -0.809 0.000 0.817 191 L CB 0.631 41.851 42.059 -1.398 0.000 1.168 191 L HN 0.440 nan 8.230 nan 0.000 0.434 192 V N 6.576 126.239 119.914 -0.419 0.000 2.328 192 V HA 0.319 4.447 4.120 0.013 0.000 0.278 192 V C -0.190 175.740 176.094 -0.273 0.000 1.021 192 V CA -0.662 61.433 62.300 -0.341 0.000 0.838 192 V CB 1.401 33.033 31.823 -0.317 0.000 0.999 192 V HN 0.508 nan 8.190 nan 0.000 0.447 193 V N 4.596 124.399 119.914 -0.186 0.000 2.348 193 V HA 0.877 5.005 4.120 0.013 0.000 0.270 193 V C 0.658 176.738 176.094 -0.023 0.000 1.037 193 V CA 0.308 62.578 62.300 -0.049 0.000 0.872 193 V CB 0.613 32.545 31.823 0.182 0.000 1.002 193 V HN 1.184 nan 8.190 nan 0.000 0.464 194 G N 3.931 112.698 108.800 -0.055 0.000 2.801 194 G HA2 0.406 4.374 3.960 0.013 0.000 0.648 194 G HA3 0.406 4.374 3.960 0.013 0.000 0.648 194 G C -0.312 174.552 174.900 -0.060 0.000 1.415 194 G CA -0.192 44.884 45.100 -0.040 0.000 0.887 194 G HN 1.262 nan 8.290 nan 0.000 0.627 195 A N 1.069 123.882 122.820 -0.011 0.000 2.606 195 A HA 0.784 5.112 4.320 0.013 0.000 0.290 195 A C 1.332 178.944 177.584 0.048 0.000 1.174 195 A CA 1.139 53.190 52.037 0.024 0.000 0.958 195 A CB -0.062 18.995 19.000 0.095 0.000 1.194 195 A HN 2.119 nan 8.150 nan 0.000 0.526 196 G N -1.140 107.676 108.800 0.027 0.000 2.611 196 G HA2 0.276 4.244 3.960 0.013 0.000 0.273 196 G HA3 0.276 4.244 3.960 0.013 0.000 0.273 196 G C 0.735 175.654 174.900 0.032 0.000 1.305 196 G CA 0.176 45.311 45.100 0.058 0.000 1.010 196 G HN 0.695 nan 8.290 nan 0.000 0.509 197 Y N -1.134 119.194 120.300 0.048 0.000 2.224 197 Y HA -0.078 4.480 4.550 0.013 0.000 0.289 197 Y C 2.354 178.289 175.900 0.058 0.000 1.146 197 Y CA 1.375 59.485 58.100 0.017 0.000 1.182 197 Y CB -0.424 38.056 38.460 0.033 0.000 0.983 197 Y HN 0.228 nan 8.280 nan 0.000 0.524 198 I N 1.308 121.575 120.570 -0.505 0.000 2.142 198 I HA -0.231 3.947 4.170 0.013 0.000 0.240 198 I C 2.851 178.900 176.117 -0.113 0.000 1.078 198 I CA 1.636 62.765 61.300 -0.284 0.000 1.343 198 I CB -1.036 36.752 38.000 -0.354 0.000 1.046 198 I HN 0.492 nan 8.210 nan 0.000 0.405 199 G N 0.891 109.614 108.800 -0.129 0.000 2.418 199 G HA2 -0.212 3.756 3.960 0.013 0.000 0.217 199 G HA3 -0.212 3.756 3.960 0.013 0.000 0.217 199 G C 1.558 176.381 174.900 -0.128 0.000 1.158 199 G CA 0.497 45.516 45.100 -0.134 0.000 0.771 199 G HN 0.132 nan 8.290 nan 0.000 0.545 200 L N 0.716 121.903 121.223 -0.059 0.000 2.056 200 L HA 0.061 4.410 4.340 0.013 0.000 0.207 200 L C 2.742 179.607 176.870 -0.007 0.000 1.078 200 L CA 1.400 56.225 54.840 -0.025 0.000 0.749 200 L CB -0.983 41.103 42.059 0.046 0.000 0.901 200 L HN 0.348 nan 8.230 nan 0.000 0.433 201 E N -1.497 118.737 120.200 0.056 0.000 2.077 201 E HA -0.240 4.119 4.350 0.013 0.000 0.193 201 E C 2.318 178.895 176.600 -0.039 0.000 0.989 201 E CA 1.693 58.170 56.400 0.128 0.000 0.800 201 E CB -0.242 29.628 29.700 0.283 0.000 0.746 201 E HN 0.492 nan 8.360 nan 0.000 0.452 202 C N 0.710 119.878 119.300 -0.221 0.000 2.432 202 C HA -0.088 4.381 4.460 0.013 0.000 0.277 202 C C 2.941 177.474 174.990 -0.761 0.000 1.249 202 C CA 0.761 59.309 59.018 -0.783 0.000 1.725 202 C CB -1.010 26.457 27.740 -0.455 0.000 2.028 202 C HN 0.531 nan 8.230 nan 0.000 0.477 203 A N 0.963 123.547 122.820 -0.393 0.000 1.908 203 A HA -0.013 4.315 4.320 0.013 0.000 0.218 203 A C 2.375 179.841 177.584 -0.196 0.000 1.181 203 A CA 2.301 54.162 52.037 -0.293 0.000 0.627 203 A CB -1.336 17.509 19.000 -0.260 0.000 0.818 203 A HN 0.568 nan 8.150 nan 0.000 0.445 204 G N -0.016 108.717 108.800 -0.112 0.000 2.480 204 G HA2 -0.223 3.745 3.960 0.013 0.000 0.216 204 G HA3 -0.223 3.745 3.960 0.013 0.000 0.216 204 G C 1.411 176.390 174.900 0.131 0.000 1.200 204 G CA 1.411 46.541 45.100 0.050 0.000 0.782 204 G HN 0.838 nan 8.290 nan 0.000 0.554 205 F N 0.945 121.006 119.950 0.185 0.000 2.234 205 F HA 0.203 4.738 4.527 0.013 0.000 0.299 205 F C 2.201 178.124 175.800 0.206 0.000 1.087 205 F CA 0.506 58.634 58.000 0.213 0.000 1.340 205 F CB -0.702 38.454 39.000 0.259 0.000 1.031 205 F HN 0.072 nan 8.300 nan 0.000 0.500 206 L N 0.383 121.613 121.223 0.010 0.000 2.012 206 L HA -0.197 4.151 4.340 0.013 0.000 0.210 206 L C 2.699 179.676 176.870 0.178 0.000 1.073 206 L CA 1.887 56.840 54.840 0.188 0.000 0.748 206 L CB -0.791 41.247 42.059 -0.035 0.000 0.891 206 L HN 0.153 nan 8.230 nan 0.000 0.431 207 K N 0.723 121.167 120.400 0.073 0.000 2.057 207 K HA -0.125 4.204 4.320 0.013 0.000 0.207 207 K C 1.945 178.578 176.600 0.055 0.000 1.049 207 K CA 1.590 57.906 56.287 0.049 0.000 0.931 207 K CB -0.755 31.764 32.500 0.032 0.000 0.714 207 K HN 0.233 nan 8.250 nan 0.000 0.440 208 G N -0.023 108.846 108.800 0.115 0.000 2.470 208 G HA2 -0.131 3.837 3.960 0.013 0.000 0.220 208 G HA3 -0.131 3.837 3.960 0.013 0.000 0.220 208 G C 1.090 176.040 174.900 0.083 0.000 1.121 208 G CA 0.688 45.857 45.100 0.115 0.000 0.766 208 G HN 0.315 nan 8.290 nan 0.000 0.553 209 L N 0.141 121.411 121.223 0.079 0.000 2.653 209 L HA 0.328 4.676 4.340 0.013 0.000 0.231 209 L C 1.826 178.433 176.870 -0.438 0.000 1.153 209 L CA 0.361 55.178 54.840 -0.040 0.000 0.933 209 L CB 0.258 42.446 42.059 0.216 0.000 1.175 209 L HN 0.310 nan 8.230 nan 0.000 0.473 210 G N -1.238 107.379 108.800 -0.306 0.000 2.157 210 G HA2 -0.304 3.664 3.960 0.013 0.000 0.239 210 G HA3 -0.304 3.664 3.960 0.013 0.000 0.239 210 G C 0.080 174.742 174.900 -0.397 0.000 0.982 210 G CA -0.235 44.664 45.100 -0.334 0.000 0.650 210 G HN 0.312 nan 8.290 nan 0.000 0.527 211 Y N 0.055 120.357 120.300 0.005 0.000 2.436 211 Y HA 0.661 5.220 4.550 0.014 0.000 0.336 211 Y C 0.842 176.718 175.900 -0.040 0.000 1.318 211 Y CA -0.751 57.323 58.100 -0.044 0.000 1.493 211 Y CB 0.694 39.095 38.460 -0.099 0.000 1.547 211 Y HN -0.063 nan 8.280 nan 0.000 0.549 212 E N 2.311 122.586 120.200 0.125 0.000 2.593 212 E HA 0.265 4.623 4.350 0.013 0.000 0.232 212 E C -2.792 173.821 176.600 0.021 0.000 1.026 212 E CA -2.015 54.414 56.400 0.049 0.000 0.772 212 E CB 1.024 30.747 29.700 0.038 0.000 1.310 212 E HN 0.296 nan 8.360 nan 0.000 0.413 213 P HA 0.282 nan 4.420 nan 0.000 0.281 213 P C -0.366 176.872 177.300 -0.104 0.000 1.249 213 P CA -0.385 62.658 63.100 -0.095 0.000 0.810 213 P CB 1.520 33.131 31.700 -0.149 0.000 1.008 214 T N 0.961 115.424 114.554 -0.151 0.000 2.863 214 T HA 0.350 4.708 4.350 0.013 0.000 0.285 214 T C -0.390 174.103 174.700 -0.344 0.000 1.009 214 T CA -0.443 61.543 62.100 -0.191 0.000 0.989 214 T CB 1.155 69.986 68.868 -0.062 0.000 1.004 214 T HN 0.060 nan 8.240 nan 0.000 0.455 215 V N 4.140 123.744 119.914 -0.517 0.000 2.370 215 V HA 0.429 4.557 4.120 0.013 0.000 0.279 215 V C 0.046 175.894 176.094 -0.410 0.000 1.029 215 V CA -0.690 61.248 62.300 -0.603 0.000 0.870 215 V CB 1.251 32.402 31.823 -1.120 0.000 0.984 215 V HN 0.849 nan 8.190 nan 0.000 0.451 216 M N 6.224 125.655 119.600 -0.281 0.000 2.113 216 M HA 0.549 5.037 4.480 0.013 0.000 0.352 216 M C -1.326 174.916 176.300 -0.097 0.000 1.170 216 M CA -0.350 54.837 55.300 -0.188 0.000 1.053 216 M CB 1.222 33.704 32.600 -0.196 0.000 1.601 216 M HN 0.455 nan 8.290 nan 0.000 0.459 217 V N 6.393 126.289 119.914 -0.031 0.000 2.378 217 V HA 0.329 4.457 4.120 0.013 0.000 0.288 217 V C 0.777 176.886 176.094 0.025 0.000 1.016 217 V CA -0.613 61.703 62.300 0.027 0.000 0.840 217 V CB 1.219 33.105 31.823 0.106 0.000 0.994 217 V HN 1.002 nan 8.190 nan 0.000 0.431 218 R N 3.232 123.746 120.500 0.024 0.000 2.066 218 R HA -0.090 4.258 4.340 0.013 0.000 0.232 218 R C 1.667 177.986 176.300 0.032 0.000 1.131 218 R CA 2.114 58.230 56.100 0.026 0.000 0.955 218 R CB 0.250 30.564 30.300 0.023 0.000 0.851 218 R HN 0.871 nan 8.270 nan 0.000 0.432 219 S N -0.692 115.031 115.700 0.037 0.000 4.163 219 S HA 0.233 4.711 4.470 0.013 0.000 0.164 219 S C 0.261 174.887 174.600 0.042 0.000 0.896 219 S CA -0.278 57.944 58.200 0.037 0.000 1.125 219 S CB -0.064 63.157 63.200 0.036 0.000 1.698 219 S HN 0.219 nan 8.310 nan 0.000 0.817 220 I N 1.512 122.111 120.570 0.050 0.000 2.863 220 I HA 0.812 4.990 4.170 0.013 0.000 0.311 220 I C -0.623 175.537 176.117 0.073 0.000 1.026 220 I CA -2.164 59.169 61.300 0.055 0.000 1.077 220 I CB 0.976 39.010 38.000 0.055 0.000 1.262 220 I HN 0.265 nan 8.210 nan 0.000 0.461 221 V N 4.716 124.672 119.914 0.070 0.000 2.465 221 V HA 0.328 4.456 4.120 0.013 0.000 0.279 221 V C 0.749 176.901 176.094 0.097 0.000 1.045 221 V CA -0.847 61.504 62.300 0.085 0.000 0.938 221 V CB 0.866 32.724 31.823 0.059 0.000 0.986 221 V HN 0.751 nan 8.190 nan 0.000 0.467 222 L N 3.369 124.660 121.223 0.112 0.000 3.795 222 L HA -0.175 4.174 4.340 0.013 0.000 0.489 222 L C 0.992 178.071 176.870 0.348 0.000 1.259 222 L CA 0.250 55.197 54.840 0.178 0.000 0.765 222 L CB -1.010 41.033 42.059 -0.027 0.000 1.519 222 L HN 0.754 nan 8.230 nan 0.000 0.842 223 R N 1.104 121.759 120.500 0.258 0.000 2.537 223 R HA 0.225 4.573 4.340 0.013 0.000 0.281 223 R C 1.430 177.891 176.300 0.270 0.000 0.988 223 R CA 1.341 57.571 56.100 0.216 0.000 1.077 223 R CB 0.282 30.666 30.300 0.139 0.000 0.932 223 R HN 0.571 nan 8.270 nan 0.000 0.409 224 G N 3.041 111.946 108.800 0.175 0.000 2.195 224 G HA2 -0.279 3.689 3.960 0.013 0.000 0.246 224 G HA3 -0.279 3.689 3.960 0.013 0.000 0.246 224 G C -0.189 174.686 174.900 -0.042 0.000 0.984 224 G CA -0.038 45.085 45.100 0.039 0.000 0.633 224 G HN 0.519 nan 8.290 nan 0.000 0.525 225 F N 1.103 121.136 119.950 0.138 0.000 2.483 225 F HA 0.507 5.042 4.527 0.014 0.000 0.329 225 F C 0.691 176.595 175.800 0.172 0.000 1.064 225 F CA -0.788 57.335 58.000 0.205 0.000 0.986 225 F CB 0.933 40.115 39.000 0.304 0.000 1.218 225 F HN -0.031 nan 8.300 nan 0.000 0.484 226 D N 1.987 122.630 120.400 0.404 0.000 2.570 226 D HA -0.105 4.543 4.640 0.013 0.000 0.243 226 D C 0.697 177.072 176.300 0.125 0.000 1.171 226 D CA 0.341 54.451 54.000 0.182 0.000 0.879 226 D CB 0.960 41.768 40.800 0.013 0.000 1.143 226 D HN 0.491 nan 8.370 nan 0.000 0.511 227 Q N 2.991 122.833 119.800 0.071 0.000 2.230 227 Q HA -0.156 4.192 4.340 0.013 0.000 0.202 227 Q C 1.677 177.666 176.000 -0.018 0.000 0.963 227 Q CA 0.720 56.545 55.803 0.038 0.000 0.866 227 Q CB -0.047 28.713 28.738 0.036 0.000 0.931 227 Q HN 0.711 nan 8.270 nan 0.000 0.452 228 Q N -0.143 119.638 119.800 -0.032 0.000 2.020 228 Q HA -0.143 4.205 4.340 0.013 0.000 0.202 228 Q C 1.837 177.773 176.000 -0.106 0.000 0.982 228 Q CA 1.143 56.910 55.803 -0.060 0.000 0.838 228 Q CB 0.139 28.856 28.738 -0.035 0.000 0.899 228 Q HN 0.235 nan 8.270 nan 0.000 0.423 229 M N 0.064 119.585 119.600 -0.131 0.000 2.117 229 M HA -0.108 4.380 4.480 0.013 0.000 0.262 229 M C 2.312 178.393 176.300 -0.364 0.000 1.065 229 M CA 1.506 56.615 55.300 -0.319 0.000 1.114 229 M CB -1.504 30.757 32.600 -0.565 0.000 1.361 229 M HN 0.326 nan 8.290 nan 0.000 0.408 230 A N 0.227 122.930 122.820 -0.194 0.000 1.883 230 A HA -0.163 4.165 4.320 0.013 0.000 0.217 230 A C 2.153 179.643 177.584 -0.157 0.000 1.186 230 A CA 1.588 53.547 52.037 -0.131 0.000 0.624 230 A CB -0.512 18.489 19.000 0.003 0.000 0.822 230 A HN 0.434 nan 8.150 nan 0.000 0.444 231 E N -0.147 119.965 120.200 -0.146 0.000 2.208 231 E HA -0.046 4.312 4.350 0.013 0.000 0.193 231 E C 2.040 178.507 176.600 -0.222 0.000 0.988 231 E CA 0.549 56.843 56.400 -0.176 0.000 0.828 231 E CB -0.346 29.275 29.700 -0.131 0.000 0.763 231 E HN 0.690 nan 8.360 nan 0.000 0.478 232 L N 0.265 121.368 121.223 -0.200 0.000 2.046 232 L HA -0.163 4.185 4.340 0.013 0.000 0.208 232 L C 2.482 179.154 176.870 -0.329 0.000 1.077 232 L CA 0.750 55.468 54.840 -0.203 0.000 0.747 232 L CB -0.503 41.496 42.059 -0.099 0.000 0.896 232 L HN -0.011 nan 8.230 nan 0.000 0.432 233 V N 0.084 119.838 119.914 -0.267 0.000 2.295 233 V HA -0.299 3.829 4.120 0.013 0.000 0.246 233 V C 2.771 178.721 176.094 -0.241 0.000 1.049 233 V CA 1.853 64.026 62.300 -0.211 0.000 1.024 233 V CB -0.916 30.823 31.823 -0.139 0.000 0.648 233 V HN 0.485 nan 8.190 nan 0.000 0.447 234 A N 0.024 122.669 122.820 -0.291 0.000 1.902 234 A HA -0.145 4.183 4.320 0.013 0.000 0.217 234 A C 2.427 179.675 177.584 -0.559 0.000 1.181 234 A CA 2.223 53.971 52.037 -0.482 0.000 0.623 234 A CB -0.836 17.778 19.000 -0.644 0.000 0.818 234 A HN 0.581 nan 8.150 nan 0.000 0.443 235 A N 0.305 122.805 122.820 -0.533 0.000 1.902 235 A HA -0.098 4.230 4.320 0.013 0.000 0.217 235 A C 2.520 179.654 177.584 -0.750 0.000 1.181 235 A CA 2.382 54.073 52.037 -0.577 0.000 0.623 235 A CB -1.032 17.662 19.000 -0.510 0.000 0.818 235 A HN 1.066 nan 8.150 nan 0.000 0.443 236 S N -0.361 114.756 115.700 -0.971 0.000 2.382 236 S HA -0.194 4.284 4.470 0.013 0.000 0.228 236 S C 1.991 176.475 174.600 -0.192 0.000 1.027 236 S CA 1.808 59.630 58.200 -0.630 0.000 0.991 236 S CB -0.593 62.398 63.200 -0.349 0.000 0.823 236 S HN 0.512 nan 8.310 nan 0.000 0.469 237 M N 1.186 120.711 119.600 -0.126 0.000 2.156 237 M HA 0.004 4.493 4.480 0.013 0.000 0.264 237 M C 2.423 178.775 176.300 0.087 0.000 1.067 237 M CA 1.480 56.815 55.300 0.059 0.000 1.131 237 M CB -0.426 32.311 32.600 0.229 0.000 1.368 237 M HN 0.386 nan 8.290 nan 0.000 0.416 238 E N 0.367 120.574 120.200 0.012 0.000 2.085 238 E HA -0.258 4.100 4.350 0.013 0.000 0.194 238 E C 1.879 178.493 176.600 0.023 0.000 0.994 238 E CA 1.283 57.700 56.400 0.029 0.000 0.801 238 E CB -0.228 29.427 29.700 -0.075 0.000 0.743 238 E HN 0.516 nan 8.360 nan 0.000 0.453 239 E N 1.003 121.204 120.200 0.002 0.000 2.160 239 E HA -0.209 4.149 4.350 0.013 0.000 0.195 239 E C 1.640 178.270 176.600 0.049 0.000 0.991 239 E CA 0.882 57.317 56.400 0.059 0.000 0.810 239 E CB 0.089 29.880 29.700 0.152 0.000 0.742 239 E HN 0.109 nan 8.360 nan 0.000 0.466 240 R N -1.101 119.425 120.500 0.044 0.000 2.320 240 R HA 0.079 4.427 4.340 0.013 0.000 0.211 240 R C 0.924 177.245 176.300 0.035 0.000 0.931 240 R CA 0.484 56.608 56.100 0.040 0.000 1.071 240 R CB 0.462 30.793 30.300 0.052 0.000 1.025 240 R HN 0.287 nan 8.270 nan 0.000 0.495 241 G N 1.408 110.233 108.800 0.040 0.000 2.137 241 G HA2 -0.252 3.716 3.960 0.013 0.000 0.237 241 G HA3 -0.252 3.716 3.960 0.013 0.000 0.237 241 G C 0.020 174.947 174.900 0.044 0.000 1.002 241 G CA -0.385 44.737 45.100 0.036 0.000 0.702 241 G HN 0.256 nan 8.290 nan 0.000 0.515 242 I N 2.361 122.977 120.570 0.075 0.000 2.306 242 I HA 0.286 4.464 4.170 0.013 0.000 0.288 242 I C -1.824 174.381 176.117 0.146 0.000 1.036 242 I CA -2.368 58.972 61.300 0.067 0.000 1.221 242 I CB 1.431 39.467 38.000 0.059 0.000 1.385 242 I HN -0.098 nan 8.210 nan 0.000 0.472 243 P HA 0.194 nan 4.420 nan 0.000 0.275 243 P C -0.968 176.392 177.300 0.100 0.000 1.228 243 P CA 0.128 63.304 63.100 0.127 0.000 0.786 243 P CB 0.501 32.234 31.700 0.055 0.000 0.927 244 F N 1.022 120.944 119.950 -0.045 0.000 2.495 244 F HA 0.418 4.952 4.527 0.013 0.000 0.327 244 F C 0.435 176.197 175.800 -0.063 0.000 1.103 244 F CA -0.963 57.002 58.000 -0.059 0.000 0.949 244 F CB 1.583 40.549 39.000 -0.057 0.000 1.142 244 F HN -0.052 nan 8.300 nan 0.000 0.457 245 L N 5.303 126.543 121.223 0.028 0.000 2.297 245 L HA 0.438 4.786 4.340 0.013 0.000 0.277 245 L C -0.145 176.731 176.870 0.009 0.000 1.040 245 L CA -0.744 54.075 54.840 -0.034 0.000 0.867 245 L CB 0.361 42.290 42.059 -0.218 0.000 1.244 245 L HN 0.492 nan 8.230 nan 0.000 0.433 246 R N 3.808 124.341 120.500 0.056 0.000 2.539 246 R HA 0.198 4.546 4.340 0.013 0.000 0.275 246 R C 0.284 176.606 176.300 0.037 0.000 1.077 246 R CA -0.584 55.550 56.100 0.058 0.000 1.097 246 R CB 0.570 30.900 30.300 0.051 0.000 1.018 246 R HN 0.343 nan 8.270 nan 0.000 0.483 247 K N 0.029 120.452 120.400 0.037 0.000 3.077 247 K HA -0.148 4.180 4.320 0.013 0.000 0.264 247 K C -0.696 175.928 176.600 0.041 0.000 1.008 247 K CA 0.988 57.297 56.287 0.037 0.000 0.740 247 K CB -1.804 30.718 32.500 0.037 0.000 1.273 247 K HN 0.715 nan 8.250 nan 0.000 0.477 248 T N -0.368 114.202 114.554 0.027 0.000 2.876 248 T HA 0.641 4.999 4.350 0.013 0.000 0.289 248 T C -0.194 174.521 174.700 0.026 0.000 1.014 248 T CA -0.544 61.574 62.100 0.029 0.000 0.986 248 T CB 2.493 71.329 68.868 -0.055 0.000 1.021 248 T HN 0.174 nan 8.240 nan 0.000 0.458 249 V N 0.830 120.788 119.914 0.073 0.000 2.876 249 V HA 0.870 4.998 4.120 0.013 0.000 0.312 249 V C -2.912 173.265 176.094 0.137 0.000 1.085 249 V CA -3.046 59.300 62.300 0.076 0.000 0.945 249 V CB 1.983 33.840 31.823 0.056 0.000 1.017 249 V HN 0.624 nan 8.190 nan 0.000 0.428 250 P HA 0.370 nan 4.420 nan 0.000 0.278 250 P C -0.353 177.037 177.300 0.151 0.000 1.238 250 P CA -0.229 62.998 63.100 0.212 0.000 0.794 250 P CB 2.058 33.934 31.700 0.293 0.000 0.955 251 L N 0.892 122.214 121.223 0.165 0.000 2.500 251 L HA 0.218 4.566 4.340 0.013 0.000 0.219 251 L C 1.099 178.032 176.870 0.106 0.000 1.057 251 L CA 1.190 56.094 54.840 0.105 0.000 0.854 251 L CB -0.729 41.381 42.059 0.085 0.000 1.078 251 L HN 0.612 nan 8.230 nan 0.000 0.480 252 S N -2.307 113.485 115.700 0.153 0.000 2.595 252 S HA 0.618 5.096 4.470 0.013 0.000 0.270 252 S C -1.363 173.372 174.600 0.225 0.000 1.145 252 S CA -0.768 57.533 58.200 0.168 0.000 0.825 252 S CB 1.860 65.131 63.200 0.118 0.000 1.107 252 S HN -0.160 nan 8.310 nan 0.000 0.461 253 V N 1.485 121.557 119.914 0.263 0.000 2.656 253 V HA 0.850 4.978 4.120 0.013 0.000 0.307 253 V C -1.214 174.992 176.094 0.188 0.000 1.051 253 V CA -0.270 62.176 62.300 0.242 0.000 0.893 253 V CB 1.435 33.453 31.823 0.324 0.000 0.999 253 V HN 1.166 nan 8.190 nan 0.000 0.426 254 E N 4.905 125.100 120.200 -0.008 0.000 2.393 254 E HA 0.501 4.859 4.350 0.013 0.000 0.273 254 E C -1.551 174.784 176.600 -0.441 0.000 0.918 254 E CA -1.137 55.157 56.400 -0.176 0.000 0.773 254 E CB 2.720 32.400 29.700 -0.034 0.000 1.275 254 E HN 0.539 nan 8.360 nan 0.000 0.451 255 K N 1.735 121.756 120.400 -0.632 0.000 2.185 255 K HA 0.191 4.519 4.320 0.013 0.000 0.269 255 K C -0.466 176.010 176.600 -0.206 0.000 0.987 255 K CA -0.311 55.685 56.287 -0.484 0.000 0.865 255 K CB 1.410 33.578 32.500 -0.554 0.000 1.090 255 K HN 0.488 nan 8.250 nan 0.000 0.450 256 Q N 1.740 121.452 119.800 -0.145 0.000 2.318 256 Q HA 0.034 4.382 4.340 0.013 0.000 0.222 256 Q C 0.299 176.263 176.000 -0.060 0.000 1.003 256 Q CA -0.640 55.112 55.803 -0.084 0.000 0.936 256 Q CB 0.837 29.531 28.738 -0.073 0.000 1.204 256 Q HN 0.597 nan 8.270 nan 0.000 0.524 257 D N 1.083 121.459 120.400 -0.040 0.000 2.182 257 D HA -0.159 4.490 4.640 0.013 0.000 0.201 257 D C 0.933 177.218 176.300 -0.025 0.000 0.986 257 D CA 1.290 55.275 54.000 -0.025 0.000 0.847 257 D CB -0.081 40.708 40.800 -0.018 0.000 0.942 257 D HN 0.560 nan 8.370 nan 0.000 0.467 258 D N -1.229 119.152 120.400 -0.033 0.000 2.328 258 D HA 0.104 4.752 4.640 0.013 0.000 0.226 258 D C 1.533 177.813 176.300 -0.033 0.000 1.066 258 D CA 0.751 54.733 54.000 -0.030 0.000 0.861 258 D CB -0.071 40.709 40.800 -0.032 0.000 0.912 258 D HN 0.215 nan 8.370 nan 0.000 0.521 259 G N 0.019 108.795 108.800 -0.040 0.000 2.225 259 G HA2 -0.288 3.680 3.960 0.013 0.000 0.254 259 G HA3 -0.288 3.680 3.960 0.013 0.000 0.254 259 G C 0.386 175.250 174.900 -0.059 0.000 0.988 259 G CA 0.184 45.259 45.100 -0.041 0.000 0.625 259 G HN 0.387 nan 8.290 nan 0.000 0.527 260 K N 0.237 120.598 120.400 -0.065 0.000 2.180 260 K HA 0.504 4.832 4.320 0.013 0.000 0.251 260 K C 0.554 177.099 176.600 -0.092 0.000 1.014 260 K CA -0.189 56.057 56.287 -0.069 0.000 0.913 260 K CB 0.786 33.244 32.500 -0.069 0.000 1.008 260 K HN 0.309 nan 8.250 nan 0.000 0.490 261 L N 2.691 123.875 121.223 -0.065 0.000 2.265 261 L HA 0.269 4.617 4.340 0.013 0.000 0.289 261 L C -0.200 176.672 176.870 0.002 0.000 1.033 261 L CA -1.029 53.768 54.840 -0.071 0.000 0.814 261 L CB 0.798 42.833 42.059 -0.039 0.000 1.203 261 L HN 0.279 nan 8.230 nan 0.000 0.423 262 L N 5.497 126.702 121.223 -0.030 0.000 2.278 262 L HA 0.384 4.733 4.340 0.013 0.000 0.287 262 L C -0.400 176.522 176.870 0.086 0.000 1.072 262 L CA 0.097 54.946 54.840 0.015 0.000 0.819 262 L CB 1.249 43.294 42.059 -0.024 0.000 1.176 262 L HN 0.264 nan 8.230 nan 0.000 0.435 263 V N 5.878 125.905 119.914 0.190 0.000 2.370 263 V HA 0.423 4.551 4.120 0.013 0.000 0.283 263 V C 0.091 176.313 176.094 0.214 0.000 1.023 263 V CA -0.809 61.640 62.300 0.248 0.000 0.857 263 V CB 1.286 33.313 31.823 0.340 0.000 0.985 263 V HN 0.672 nan 8.190 nan 0.000 0.443 264 K N 4.903 125.387 120.400 0.140 0.000 2.130 264 K HA 0.690 5.018 4.320 0.013 0.000 0.268 264 K C -1.093 175.585 176.600 0.130 0.000 0.983 264 K CA -0.491 55.810 56.287 0.024 0.000 0.893 264 K CB 1.628 34.127 32.500 -0.001 0.000 1.066 264 K HN 0.731 nan 8.250 nan 0.000 0.450 265 Y N -1.131 119.214 120.300 0.075 0.000 2.655 265 Y HA 0.602 5.160 4.550 0.013 0.000 0.336 265 Y C -1.295 174.636 175.900 0.052 0.000 1.154 265 Y CA -1.459 56.683 58.100 0.070 0.000 1.055 265 Y CB 1.403 39.911 38.460 0.080 0.000 1.295 265 Y HN 0.385 nan 8.280 nan 0.000 0.465 266 K N 1.382 121.969 120.400 0.311 0.000 2.427 266 K HA 0.393 4.721 4.320 0.013 0.000 0.252 266 K C -1.735 174.982 176.600 0.194 0.000 0.931 266 K CA -0.813 55.584 56.287 0.183 0.000 0.793 266 K CB 1.765 34.328 32.500 0.104 0.000 1.211 266 K HN 0.892 nan 8.250 nan 0.000 0.426 267 N N 2.394 121.188 118.700 0.157 0.000 2.430 267 N HA 0.048 4.796 4.740 0.013 0.000 0.265 267 N C 0.623 176.179 175.510 0.076 0.000 1.100 267 N CA -0.252 52.867 53.050 0.115 0.000 0.961 267 N CB 1.072 39.621 38.487 0.103 0.000 1.075 267 N HN 0.326 nan 8.380 nan 0.000 0.478 268 V N 2.851 122.803 119.914 0.063 0.000 2.809 268 V HA -0.108 4.020 4.120 0.013 0.000 0.256 268 V C 1.562 177.678 176.094 0.038 0.000 1.080 268 V CA 1.532 63.861 62.300 0.047 0.000 1.102 268 V CB -0.582 31.266 31.823 0.041 0.000 0.705 268 V HN 0.751 nan 8.190 nan 0.000 0.475 269 E N 0.139 120.362 120.200 0.038 0.000 2.099 269 E HA -0.095 4.263 4.350 0.013 0.000 0.191 269 E C 2.358 178.975 176.600 0.029 0.000 0.962 269 E CA 1.416 57.834 56.400 0.030 0.000 0.826 269 E CB -0.162 29.555 29.700 0.029 0.000 0.788 269 E HN 0.726 nan 8.360 nan 0.000 0.461 270 T N -2.636 111.938 114.554 0.034 0.000 2.978 270 T HA 0.136 4.494 4.350 0.013 0.000 0.262 270 T C 1.721 176.438 174.700 0.029 0.000 1.063 270 T CA 0.888 63.007 62.100 0.031 0.000 1.140 270 T CB 0.309 69.198 68.868 0.034 0.000 0.886 270 T HN 0.321 nan 8.240 nan 0.000 0.470 271 G N 1.106 109.927 108.800 0.036 0.000 2.176 271 G HA2 -0.230 3.738 3.960 0.013 0.000 0.253 271 G HA3 -0.230 3.738 3.960 0.013 0.000 0.253 271 G C -0.170 174.749 174.900 0.032 0.000 0.979 271 G CA 0.111 45.231 45.100 0.032 0.000 0.641 271 G HN 0.675 nan 8.290 nan 0.000 0.530 272 E N 1.152 121.373 120.200 0.036 0.000 2.360 272 E HA 0.390 4.748 4.350 0.013 0.000 0.269 272 E C 0.236 176.851 176.600 0.026 0.000 1.022 272 E CA 0.186 56.602 56.400 0.027 0.000 0.887 272 E CB 0.509 30.227 29.700 0.031 0.000 0.990 272 E HN 0.567 nan 8.360 nan 0.000 0.426 273 E N 1.528 121.721 120.200 -0.013 0.000 2.204 273 E HA 0.422 4.781 4.350 0.013 0.000 0.276 273 E C -0.657 175.852 176.600 -0.152 0.000 0.974 273 E CA -0.437 55.926 56.400 -0.062 0.000 0.815 273 E CB 2.127 31.797 29.700 -0.051 0.000 1.119 273 E HN 0.225 nan 8.360 nan 0.000 0.393 274 S N 1.089 116.566 115.700 -0.372 0.000 2.819 274 S HA 0.461 4.940 4.470 0.013 0.000 0.299 274 S C -1.857 172.270 174.600 -0.788 0.000 1.192 274 S CA -0.700 57.203 58.200 -0.496 0.000 0.847 274 S CB 1.283 64.250 63.200 -0.389 0.000 1.224 274 S HN 0.615 nan 8.310 nan 0.000 0.537 275 E N 0.556 120.397 120.200 -0.598 0.000 2.407 275 E HA 0.664 5.022 4.350 0.013 0.000 0.279 275 E C -2.056 174.503 176.600 -0.068 0.000 1.012 275 E CA -0.814 55.380 56.400 -0.342 0.000 0.800 275 E CB 1.736 31.337 29.700 -0.164 0.000 1.276 275 E HN 0.369 nan 8.360 nan 0.000 0.452 276 D N 0.124 120.577 120.400 0.089 0.000 2.599 276 D HA 0.375 5.023 4.640 0.013 0.000 0.252 276 D C -1.858 174.314 176.300 -0.214 0.000 1.232 276 D CA -0.561 53.398 54.000 -0.069 0.000 0.819 276 D CB 2.557 43.300 40.800 -0.095 0.000 1.401 276 D HN 0.326 nan 8.370 nan 0.000 0.429 277 V N 2.311 121.977 119.914 -0.413 0.000 2.472 277 V HA 0.696 4.825 4.120 0.013 0.000 0.290 277 V C -1.365 174.347 176.094 -0.637 0.000 1.037 277 V CA 0.013 62.109 62.300 -0.340 0.000 0.908 277 V CB 0.634 32.342 31.823 -0.192 0.000 0.985 277 V HN 0.513 nan 8.190 nan 0.000 0.454 278 Y N 3.497 123.759 120.300 -0.062 0.000 2.581 278 Y HA 0.496 5.054 4.550 0.013 0.000 0.345 278 Y C 0.895 176.733 175.900 -0.102 0.000 1.036 278 Y CA -0.934 57.115 58.100 -0.086 0.000 1.042 278 Y CB 1.775 40.168 38.460 -0.111 0.000 1.289 278 Y HN 0.555 nan 8.280 nan 0.000 0.471 279 D N 0.036 120.465 120.400 0.048 0.000 2.183 279 D HA 0.026 4.674 4.640 0.013 0.000 0.205 279 D C -0.141 176.121 176.300 -0.062 0.000 0.962 279 D CA 1.313 55.294 54.000 -0.033 0.000 0.849 279 D CB 0.363 41.118 40.800 -0.075 0.000 0.978 279 D HN 0.454 nan 8.370 nan 0.000 0.488 280 T N 0.326 114.828 114.554 -0.085 0.000 2.912 280 T HA 0.456 4.814 4.350 0.013 0.000 0.299 280 T C -0.556 173.985 174.700 -0.265 0.000 1.052 280 T CA -0.589 61.405 62.100 -0.176 0.000 0.996 280 T CB 3.139 71.866 68.868 -0.235 0.000 1.070 280 T HN -0.338 nan 8.240 nan 0.000 0.465 281 V N 3.621 123.317 119.914 -0.363 0.000 2.376 281 V HA 0.481 4.609 4.120 0.013 0.000 0.287 281 V C -0.834 174.787 176.094 -0.788 0.000 1.015 281 V CA -0.770 61.159 62.300 -0.619 0.000 0.834 281 V CB 1.404 32.832 31.823 -0.658 0.000 1.001 281 V HN 0.709 nan 8.190 nan 0.000 0.428 282 L N 6.039 126.846 121.223 -0.693 0.000 2.265 282 L HA 0.594 4.942 4.340 0.013 0.000 0.289 282 L C -0.855 175.719 176.870 -0.493 0.000 1.033 282 L CA -0.176 54.331 54.840 -0.554 0.000 0.814 282 L CB 0.831 42.661 42.059 -0.381 0.000 1.203 282 L HN 0.624 nan 8.230 nan 0.000 0.423 283 W N 5.529 126.697 121.300 -0.221 0.000 2.358 283 W HA 0.610 5.278 4.660 0.014 0.000 0.307 283 W C 0.318 176.700 176.519 -0.227 0.000 1.203 283 W CA -0.861 56.347 57.345 -0.229 0.000 1.279 283 W CB 1.179 30.455 29.460 -0.305 0.000 1.264 283 W HN 0.713 nan 8.180 nan 0.000 0.474 284 A N 4.963 127.812 122.820 0.049 0.000 3.253 284 A HA 0.308 4.636 4.320 0.013 0.000 0.290 284 A C 0.329 177.900 177.584 -0.022 0.000 0.950 284 A CA -0.467 51.549 52.037 -0.036 0.000 0.986 284 A CB -0.717 18.225 19.000 -0.097 0.000 1.104 284 A HN 0.806 nan 8.150 nan 0.000 0.481 285 I N -3.433 117.137 120.570 -0.000 0.000 3.928 285 I HA 0.623 4.801 4.170 0.013 0.000 0.335 285 I C 0.614 176.723 176.117 -0.013 0.000 1.325 285 I CA 0.211 61.507 61.300 -0.006 0.000 1.107 285 I CB 0.312 38.303 38.000 -0.015 0.000 1.014 285 I HN 0.474 nan 8.210 nan 0.000 0.400 286 G N 1.286 110.074 108.800 -0.019 0.000 2.347 286 G HA2 0.135 4.103 3.960 0.013 0.000 0.477 286 G HA3 0.135 4.103 3.960 0.013 0.000 0.477 286 G C -1.357 173.544 174.900 0.001 0.000 1.349 286 G CA -1.180 43.916 45.100 -0.006 0.000 1.000 286 G HN 0.270 nan 8.290 nan 0.000 0.605 287 R N -0.074 120.438 120.500 0.021 0.000 2.561 287 R HA 0.567 4.915 4.340 0.013 0.000 0.297 287 R C -0.344 175.988 176.300 0.053 0.000 0.969 287 R CA -0.950 55.175 56.100 0.041 0.000 0.879 287 R CB 2.545 32.874 30.300 0.050 0.000 1.178 287 R HN 0.545 nan 8.270 nan 0.000 0.445 288 K N 1.431 121.870 120.400 0.065 0.000 2.185 288 K HA 0.340 4.668 4.320 0.013 0.000 0.269 288 K C -0.027 176.619 176.600 0.077 0.000 0.987 288 K CA -0.459 55.868 56.287 0.067 0.000 0.865 288 K CB 1.451 33.992 32.500 0.067 0.000 1.090 288 K HN 0.795 nan 8.250 nan 0.000 0.450 289 G N 3.312 112.157 108.800 0.074 0.000 2.432 289 G HA2 0.118 4.086 3.960 0.013 0.000 0.239 289 G HA3 0.118 4.086 3.960 0.013 0.000 0.239 289 G C 0.145 175.092 174.900 0.079 0.000 1.291 289 G CA -0.504 44.644 45.100 0.080 0.000 0.863 289 G HN 0.676 nan 8.290 nan 0.000 0.560 290 L N 3.230 124.504 121.223 0.085 0.000 2.873 290 L HA 0.078 4.426 4.340 0.013 0.000 0.236 290 L C 1.924 178.837 176.870 0.072 0.000 1.375 290 L CA -0.531 54.358 54.840 0.081 0.000 1.239 290 L CB 0.125 42.240 42.059 0.093 0.000 1.603 290 L HN 0.575 nan 8.230 nan 0.000 0.430 291 V N -4.002 115.951 119.914 0.065 0.000 2.719 291 V HA -0.143 3.985 4.120 0.013 0.000 0.252 291 V C 1.844 177.968 176.094 0.051 0.000 1.065 291 V CA 1.464 63.800 62.300 0.061 0.000 1.086 291 V CB -0.208 31.646 31.823 0.053 0.000 0.700 291 V HN 0.469 nan 8.190 nan 0.000 0.467 292 D N 1.427 121.853 120.400 0.042 0.000 2.104 292 D HA -0.214 4.434 4.640 0.013 0.000 0.194 292 D C 1.745 178.060 176.300 0.025 0.000 0.994 292 D CA 1.901 55.919 54.000 0.030 0.000 0.830 292 D CB -0.308 40.508 40.800 0.026 0.000 0.959 292 D HN 0.473 nan 8.370 nan 0.000 0.452 293 D N -0.575 119.840 120.400 0.024 0.000 2.310 293 D HA -0.050 4.598 4.640 0.013 0.000 0.212 293 D C 1.973 178.271 176.300 -0.003 0.000 0.965 293 D CA 0.186 54.189 54.000 0.005 0.000 0.879 293 D CB -0.063 40.739 40.800 0.004 0.000 0.921 293 D HN 0.343 nan 8.370 nan 0.000 0.510 294 L N 0.284 121.521 121.223 0.023 0.000 2.291 294 L HA -0.051 4.297 4.340 0.013 0.000 0.214 294 L C 0.088 177.017 176.870 0.099 0.000 1.120 294 L CA 0.178 55.041 54.840 0.038 0.000 0.799 294 L CB -0.329 41.800 42.059 0.117 0.000 0.925 294 L HN -0.028 nan 8.230 nan 0.000 0.446 295 N N 0.294 119.037 118.700 0.072 0.000 2.714 295 N HA -0.218 4.530 4.740 0.013 0.000 0.253 295 N C 0.831 176.404 175.510 0.105 0.000 1.024 295 N CA 0.477 53.569 53.050 0.070 0.000 0.726 295 N CB -1.513 37.004 38.487 0.050 0.000 0.908 295 N HN 0.317 nan 8.380 nan 0.000 0.542 296 L N -0.395 120.876 121.223 0.080 0.000 2.127 296 L HA -0.141 4.207 4.340 0.013 0.000 0.211 296 L C -0.479 176.335 176.870 -0.094 0.000 1.089 296 L CA 1.486 56.318 54.840 -0.013 0.000 0.757 296 L CB -1.026 41.020 42.059 -0.022 0.000 0.899 296 L HN 0.216 nan 8.230 nan 0.000 0.434 297 P HA -0.146 nan 4.420 nan 0.000 0.219 297 P C 0.878 178.138 177.300 -0.067 0.000 1.146 297 P CA 1.326 64.390 63.100 -0.060 0.000 0.808 297 P CB -0.173 31.507 31.700 -0.033 0.000 0.779 298 N N -0.669 118.006 118.700 -0.043 0.000 2.289 298 N HA -0.091 4.657 4.740 0.013 0.000 0.184 298 N C 1.432 176.883 175.510 -0.097 0.000 1.016 298 N CA 0.806 53.838 53.050 -0.030 0.000 0.872 298 N CB -0.175 38.333 38.487 0.035 0.000 0.973 298 N HN 0.122 nan 8.380 nan 0.000 0.433 299 A N 0.030 122.706 122.820 -0.239 0.000 2.303 299 A HA 0.402 4.730 4.320 0.013 0.000 0.217 299 A C 1.450 178.842 177.584 -0.320 0.000 1.205 299 A CA 0.529 52.309 52.037 -0.427 0.000 0.875 299 A CB 0.097 18.439 19.000 -1.097 0.000 0.910 299 A HN 0.252 nan 8.150 nan 0.000 0.501 300 G N -0.777 107.890 108.800 -0.222 0.000 2.147 300 G HA2 -0.184 3.784 3.960 0.013 0.000 0.244 300 G HA3 -0.184 3.784 3.960 0.013 0.000 0.244 300 G C 0.091 174.887 174.900 -0.174 0.000 1.005 300 G CA 0.211 45.214 45.100 -0.162 0.000 0.713 300 G HN 0.779 nan 8.290 nan 0.000 0.515 301 V N 1.457 121.241 119.914 -0.218 0.000 2.461 301 V HA 0.437 4.566 4.120 0.013 0.000 0.275 301 V C 1.126 177.146 176.094 -0.123 0.000 1.047 301 V CA 0.167 62.352 62.300 -0.192 0.000 0.955 301 V CB 1.355 33.028 31.823 -0.250 0.000 0.988 301 V HN 0.344 nan 8.190 nan 0.000 0.471 302 T N 5.476 119.969 114.554 -0.102 0.000 2.901 302 T HA 0.400 4.758 4.350 0.013 0.000 0.301 302 T C 0.044 174.706 174.700 -0.064 0.000 1.012 302 T CA -0.131 61.922 62.100 -0.079 0.000 1.135 302 T CB 1.084 69.905 68.868 -0.078 0.000 0.936 302 T HN 0.711 nan 8.240 nan 0.000 0.539 303 V N 1.679 121.561 119.914 -0.053 0.000 2.994 303 V HA 0.709 4.837 4.120 0.013 0.000 0.318 303 V C -0.630 175.429 176.094 -0.057 0.000 1.085 303 V CA -1.171 61.107 62.300 -0.037 0.000 0.998 303 V CB 1.944 33.758 31.823 -0.015 0.000 1.063 303 V HN 0.830 nan 8.190 nan 0.000 0.447 304 Q N 1.288 121.055 119.800 -0.054 0.000 2.490 304 Q HA 0.403 4.752 4.340 0.013 0.000 0.255 304 Q C -1.046 174.941 176.000 -0.023 0.000 0.997 304 Q CA -0.626 55.117 55.803 -0.099 0.000 0.709 304 Q CB 0.994 29.577 28.738 -0.259 0.000 1.255 304 Q HN 0.857 nan 8.270 nan 0.000 0.486 305 K N 3.928 124.322 120.400 -0.010 0.000 4.456 305 K HA -0.279 4.049 4.320 0.013 0.000 0.525 305 K C 0.109 176.743 176.600 0.057 0.000 1.365 305 K CA 1.202 57.504 56.287 0.025 0.000 1.087 305 K CB -0.350 32.172 32.500 0.037 0.000 1.880 305 K HN 1.117 nan 8.250 nan 0.000 0.270 306 D N -0.267 120.162 120.400 0.048 0.000 3.033 306 D HA -0.283 4.365 4.640 0.013 0.000 0.214 306 D C -0.381 175.966 176.300 0.079 0.000 1.173 306 D CA 1.800 55.837 54.000 0.060 0.000 0.930 306 D CB -0.071 40.765 40.800 0.061 0.000 1.092 306 D HN 0.438 nan 8.370 nan 0.000 0.384 307 K N -0.065 120.393 120.400 0.098 0.000 2.352 307 K HA 0.683 5.011 4.320 0.013 0.000 0.240 307 K C 0.229 176.886 176.600 0.096 0.000 1.017 307 K CA -0.971 55.390 56.287 0.124 0.000 0.851 307 K CB 1.603 34.238 32.500 0.224 0.000 1.261 307 K HN 0.109 nan 8.250 nan 0.000 0.451 308 I N 3.757 124.386 120.570 0.099 0.000 2.354 308 I HA 0.206 4.384 4.170 0.013 0.000 0.286 308 I C -2.152 174.012 176.117 0.077 0.000 1.007 308 I CA -2.187 59.151 61.300 0.063 0.000 1.167 308 I CB 1.874 39.908 38.000 0.055 0.000 1.320 308 I HN 0.138 nan 8.210 nan 0.000 0.458 309 P HA 0.160 nan 4.420 nan 0.000 0.276 309 P C -0.674 176.637 177.300 0.018 0.000 1.230 309 P CA -0.010 63.113 63.100 0.037 0.000 0.776 309 P CB 1.458 33.120 31.700 -0.063 0.000 0.888 310 V N -0.052 119.883 119.914 0.035 0.000 3.130 310 V HA 0.627 4.755 4.120 0.013 0.000 0.310 310 V C -0.304 175.806 176.094 0.028 0.000 1.158 310 V CA -1.120 61.194 62.300 0.024 0.000 1.029 310 V CB 1.938 33.794 31.823 0.053 0.000 1.057 310 V HN 0.527 nan 8.190 nan 0.000 0.436 311 D N 0.896 121.313 120.400 0.028 0.000 2.511 311 D HA 0.288 4.936 4.640 0.013 0.000 0.276 311 D C 1.408 177.753 176.300 0.075 0.000 1.220 311 D CA 0.184 54.207 54.000 0.038 0.000 1.077 311 D CB 0.686 41.499 40.800 0.022 0.000 1.126 311 D HN 0.881 nan 8.370 nan 0.000 0.583 312 S N -1.774 113.972 115.700 0.078 0.000 2.500 312 S HA -0.178 4.300 4.470 0.013 0.000 0.239 312 S C 1.087 175.763 174.600 0.128 0.000 0.989 312 S CA 0.738 59.004 58.200 0.109 0.000 0.951 312 S CB -0.563 62.688 63.200 0.085 0.000 0.759 312 S HN 0.533 nan 8.310 nan 0.000 0.523 313 Q N -0.070 119.806 119.800 0.126 0.000 2.198 313 Q HA 0.236 4.584 4.340 0.013 0.000 0.209 313 Q C -0.497 175.646 176.000 0.239 0.000 0.848 313 Q CA -0.046 55.851 55.803 0.156 0.000 0.974 313 Q CB 0.282 29.112 28.738 0.153 0.000 1.115 313 Q HN 0.514 nan 8.270 nan 0.000 0.494 314 E N -0.715 119.611 120.200 0.209 0.000 3.170 314 E HA -0.206 4.152 4.350 0.013 0.000 0.284 314 E C -0.536 176.210 176.600 0.244 0.000 0.967 314 E CA 0.765 57.306 56.400 0.234 0.000 0.919 314 E CB -1.245 28.610 29.700 0.257 0.000 1.469 314 E HN 0.493 nan 8.360 nan 0.000 0.444 315 A N 0.775 123.652 122.820 0.095 0.000 2.401 315 A HA 0.517 4.845 4.320 0.013 0.000 0.259 315 A C 1.035 178.520 177.584 -0.165 0.000 1.103 315 A CA 0.237 52.119 52.037 -0.258 0.000 0.789 315 A CB 0.338 19.160 19.000 -0.297 0.000 1.035 315 A HN 0.313 nan 8.150 nan 0.000 0.491 316 T N 0.316 114.740 114.554 -0.218 0.000 2.689 316 T HA 0.066 4.424 4.350 0.013 0.000 0.308 316 T C 1.293 175.898 174.700 -0.158 0.000 1.021 316 T CA 0.112 62.124 62.100 -0.146 0.000 0.973 316 T CB 0.181 68.965 68.868 -0.139 0.000 1.113 316 T HN 0.749 nan 8.240 nan 0.000 0.522 317 N N -0.330 118.295 118.700 -0.126 0.000 2.519 317 N HA -0.071 4.677 4.740 0.013 0.000 0.186 317 N C 0.121 175.552 175.510 -0.131 0.000 1.062 317 N CA 0.323 53.305 53.050 -0.114 0.000 0.910 317 N CB -0.554 37.876 38.487 -0.095 0.000 0.958 317 N HN 0.403 nan 8.380 nan 0.000 0.445 318 V N 1.317 121.130 119.914 -0.168 0.000 2.350 318 V HA 0.404 4.532 4.120 0.013 0.000 0.276 318 V C 1.428 177.396 176.094 -0.210 0.000 1.028 318 V CA -0.475 61.720 62.300 -0.176 0.000 0.860 318 V CB 0.884 32.581 31.823 -0.210 0.000 0.990 318 V HN 0.277 nan 8.190 nan 0.000 0.453 319 A N 4.649 127.374 122.820 -0.159 0.000 1.978 319 A HA -0.155 4.173 4.320 0.013 0.000 0.220 319 A C 1.731 179.207 177.584 -0.180 0.000 1.170 319 A CA 2.004 53.944 52.037 -0.161 0.000 0.636 319 A CB -0.369 18.593 19.000 -0.062 0.000 0.810 319 A HN 0.921 nan 8.150 nan 0.000 0.448 320 N N -0.547 118.093 118.700 -0.100 0.000 2.270 320 N HA 0.150 4.898 4.740 0.013 0.000 0.198 320 N C -0.174 175.381 175.510 0.074 0.000 1.117 320 N CA 0.030 53.103 53.050 0.038 0.000 0.845 320 N CB 0.045 38.560 38.487 0.046 0.000 0.980 320 N HN 0.452 nan 8.380 nan 0.000 0.486 321 I N 1.216 121.704 120.570 -0.136 0.000 2.418 321 I HA 0.329 4.507 4.170 0.013 0.000 0.287 321 I C -1.012 174.983 176.117 -0.203 0.000 1.008 321 I CA -0.887 60.403 61.300 -0.016 0.000 1.104 321 I CB 0.997 38.934 38.000 -0.105 0.000 1.264 321 I HN -0.166 nan 8.210 nan 0.000 0.438 322 Y N 4.155 124.512 120.300 0.093 0.000 2.587 322 Y HA 0.842 5.400 4.550 0.013 0.000 0.337 322 Y C 0.214 176.174 175.900 0.099 0.000 1.065 322 Y CA -0.916 57.230 58.100 0.078 0.000 1.126 322 Y CB 1.999 40.502 38.460 0.073 0.000 1.279 322 Y HN 0.548 nan 8.280 nan 0.000 0.489 323 A N 0.852 123.818 122.820 0.242 0.000 2.515 323 A HA 0.838 5.166 4.320 0.013 0.000 0.298 323 A C -1.839 175.848 177.584 0.171 0.000 1.059 323 A CA -0.724 51.422 52.037 0.181 0.000 0.698 323 A CB 1.832 20.908 19.000 0.127 0.000 1.289 323 A HN 0.687 nan 8.150 nan 0.000 0.404 324 V N 0.682 120.687 119.914 0.151 0.000 3.204 324 V HA 0.816 4.944 4.120 0.013 0.000 0.298 324 V C 0.360 176.530 176.094 0.126 0.000 1.328 324 V CA 1.240 63.627 62.300 0.146 0.000 1.035 324 V CB 1.744 33.654 31.823 0.144 0.000 1.095 324 V HN 2.992 nan 8.190 nan 0.000 0.442 325 G N 4.328 113.207 108.800 0.132 0.000 2.615 325 G HA2 -0.167 3.801 3.960 0.013 0.000 0.218 325 G HA3 -0.167 3.801 3.960 0.013 0.000 0.218 325 G C 0.084 175.039 174.900 0.093 0.000 1.339 325 G CA 0.463 45.630 45.100 0.113 0.000 0.884 325 G HN 0.924 nan 8.290 nan 0.000 0.559 326 D N -0.388 120.064 120.400 0.087 0.000 2.190 326 D HA -0.089 4.559 4.640 0.013 0.000 0.200 326 D C 2.317 178.654 176.300 0.061 0.000 0.992 326 D CA 1.201 55.243 54.000 0.071 0.000 0.854 326 D CB -0.080 40.771 40.800 0.084 0.000 0.936 326 D HN 0.458 nan 8.370 nan 0.000 0.462 327 I N 1.188 121.805 120.570 0.077 0.000 2.567 327 I HA -0.111 4.067 4.170 0.013 0.000 0.257 327 I C 0.838 177.000 176.117 0.076 0.000 1.184 327 I CA 0.258 61.606 61.300 0.081 0.000 1.451 327 I CB 0.013 38.069 38.000 0.093 0.000 1.089 327 I HN -0.052 nan 8.210 nan 0.000 0.441 328 I N -1.481 119.126 120.570 0.061 0.000 2.696 328 I HA -0.002 4.176 4.170 0.013 0.000 0.284 328 I C -0.022 176.114 176.117 0.032 0.000 1.129 328 I CA -0.497 60.835 61.300 0.052 0.000 1.410 328 I CB 0.263 38.280 38.000 0.028 0.000 1.399 328 I HN -0.043 nan 8.210 nan 0.000 0.579 329 Y N 5.476 125.753 120.300 -0.038 0.000 2.465 329 Y HA 0.396 4.954 4.550 0.014 0.000 0.331 329 Y C 1.202 177.055 175.900 -0.077 0.000 1.102 329 Y CA 0.748 58.822 58.100 -0.044 0.000 1.358 329 Y CB 0.491 38.929 38.460 -0.037 0.000 1.213 329 Y HN 1.003 nan 8.280 nan 0.000 0.525 330 G N 3.782 112.049 108.800 -0.889 0.000 2.147 330 G HA2 -0.221 3.747 3.960 0.013 0.000 0.244 330 G HA3 -0.221 3.747 3.960 0.013 0.000 0.244 330 G C -0.135 174.528 174.900 -0.394 0.000 1.005 330 G CA 0.029 44.659 45.100 -0.785 0.000 0.713 330 G HN 0.467 nan 8.290 nan 0.000 0.515 331 K N -0.169 120.031 120.400 -0.333 0.000 2.281 331 K HA 0.578 4.906 4.320 0.013 0.000 0.242 331 K C -2.537 173.971 176.600 -0.153 0.000 0.971 331 K CA -2.169 53.928 56.287 -0.316 0.000 0.834 331 K CB 1.231 33.370 32.500 -0.601 0.000 1.181 331 K HN -0.050 nan 8.250 nan 0.000 0.435 332 P HA 0.045 nan 4.420 nan 0.000 0.264 332 P C -0.785 176.540 177.300 0.041 0.000 1.193 332 P CA 0.186 63.286 63.100 -0.000 0.000 0.763 332 P CB 0.311 32.033 31.700 0.037 0.000 0.810 333 E N 3.165 123.397 120.200 0.054 0.000 1.964 333 E HA 0.272 4.630 4.350 0.013 0.000 0.264 333 E C -0.344 176.326 176.600 0.117 0.000 1.120 333 E CA -0.104 56.350 56.400 0.090 0.000 1.061 333 E CB -0.113 29.650 29.700 0.105 0.000 1.190 333 E HN 0.366 nan 8.360 nan 0.000 0.459 334 L N -0.029 121.250 121.223 0.094 0.000 2.376 334 L HA 0.313 4.661 4.340 0.013 0.000 0.258 334 L C 1.233 178.146 176.870 0.072 0.000 1.013 334 L CA -0.675 54.212 54.840 0.078 0.000 0.822 334 L CB 2.032 44.116 42.059 0.042 0.000 1.388 334 L HN 0.122 nan 8.230 nan 0.000 0.413 335 T N 0.412 115.001 114.554 0.060 0.000 2.770 335 T HA -0.020 4.338 4.350 0.013 0.000 0.263 335 T C -1.214 173.507 174.700 0.034 0.000 1.039 335 T CA 1.565 63.693 62.100 0.047 0.000 1.142 335 T CB -0.460 68.429 68.868 0.035 0.000 0.868 335 T HN 0.451 nan 8.240 nan 0.000 0.435 336 P HA 0.040 nan 4.420 nan 0.000 0.221 336 P C 1.513 178.817 177.300 0.006 0.000 1.150 336 P CA 0.456 63.561 63.100 0.009 0.000 0.800 336 P CB -0.169 31.532 31.700 0.001 0.000 0.787 337 V N 0.617 120.547 119.914 0.027 0.000 2.261 337 V HA -0.257 3.871 4.120 0.013 0.000 0.246 337 V C 2.549 178.680 176.094 0.063 0.000 1.047 337 V CA 2.311 64.637 62.300 0.043 0.000 1.015 337 V CB -1.737 30.157 31.823 0.117 0.000 0.642 337 V HN 0.105 nan 8.190 nan 0.000 0.446 338 A N -0.164 122.704 122.820 0.080 0.000 1.892 338 A HA -0.194 4.134 4.320 0.013 0.000 0.218 338 A C 2.402 180.016 177.584 0.050 0.000 1.188 338 A CA 2.357 54.443 52.037 0.081 0.000 0.631 338 A CB -0.805 18.241 19.000 0.077 0.000 0.822 338 A HN 0.338 nan 8.150 nan 0.000 0.447 339 V N -0.568 119.364 119.914 0.029 0.000 2.261 339 V HA -0.227 3.901 4.120 0.013 0.000 0.246 339 V C 2.486 178.579 176.094 -0.002 0.000 1.047 339 V CA 2.027 64.335 62.300 0.012 0.000 1.015 339 V CB -0.771 31.053 31.823 0.003 0.000 0.642 339 V HN 0.559 nan 8.190 nan 0.000 0.446 340 L N 0.526 121.738 121.223 -0.019 0.000 2.056 340 L HA 0.008 4.356 4.340 0.013 0.000 0.207 340 L C 2.434 179.274 176.870 -0.051 0.000 1.078 340 L CA 2.191 57.005 54.840 -0.044 0.000 0.749 340 L CB -0.979 41.037 42.059 -0.072 0.000 0.901 340 L HN 0.233 nan 8.230 nan 0.000 0.433 341 A N -0.743 122.051 122.820 -0.043 0.000 1.902 341 A HA -0.065 4.263 4.320 0.013 0.000 0.217 341 A C 2.322 179.920 177.584 0.023 0.000 1.181 341 A CA 1.520 53.547 52.037 -0.018 0.000 0.623 341 A CB -1.460 17.583 19.000 0.071 0.000 0.818 341 A HN 0.498 nan 8.150 nan 0.000 0.443 342 G N -0.682 108.138 108.800 0.033 0.000 2.402 342 G HA2 -0.226 3.742 3.960 0.013 0.000 0.216 342 G HA3 -0.226 3.742 3.960 0.013 0.000 0.216 342 G C 1.729 176.638 174.900 0.015 0.000 1.162 342 G CA 0.986 46.107 45.100 0.035 0.000 0.777 342 G HN 0.565 nan 8.290 nan 0.000 0.539 343 R N -0.022 120.480 120.500 0.004 0.000 2.080 343 R HA 0.032 4.380 4.340 0.013 0.000 0.236 343 R C 2.565 178.860 176.300 -0.009 0.000 1.137 343 R CA 1.238 57.337 56.100 -0.002 0.000 0.943 343 R CB -0.418 29.876 30.300 -0.011 0.000 0.846 343 R HN 0.378 nan 8.270 nan 0.000 0.431 344 L N 0.795 122.005 121.223 -0.022 0.000 2.083 344 L HA -0.197 4.152 4.340 0.013 0.000 0.209 344 L C 2.508 179.358 176.870 -0.033 0.000 1.083 344 L CA 0.593 55.415 54.840 -0.029 0.000 0.752 344 L CB -0.501 41.531 42.059 -0.044 0.000 0.899 344 L HN 0.300 nan 8.230 nan 0.000 0.433 345 L N 0.352 121.556 121.223 -0.031 0.000 2.017 345 L HA -0.148 4.200 4.340 0.013 0.000 0.208 345 L C 2.648 179.453 176.870 -0.109 0.000 1.073 345 L CA 2.085 56.882 54.840 -0.072 0.000 0.745 345 L CB -0.803 41.225 42.059 -0.050 0.000 0.894 345 L HN 0.131 nan 8.230 nan 0.000 0.432 346 A N -0.506 122.294 122.820 -0.034 0.000 1.908 346 A HA -0.251 4.078 4.320 0.013 0.000 0.218 346 A C 2.445 180.047 177.584 0.030 0.000 1.181 346 A CA 1.904 53.965 52.037 0.040 0.000 0.627 346 A CB -0.592 18.459 19.000 0.085 0.000 0.818 346 A HN 0.480 nan 8.150 nan 0.000 0.445 347 R N -0.670 119.831 120.500 0.000 0.000 2.120 347 R HA -0.022 4.326 4.340 0.013 0.000 0.234 347 R C 2.377 178.653 176.300 -0.040 0.000 1.123 347 R CA 1.436 57.534 56.100 -0.003 0.000 0.975 347 R CB -0.186 30.110 30.300 -0.007 0.000 0.866 347 R HN 0.541 nan 8.270 nan 0.000 0.446 348 R N -0.346 120.105 120.500 -0.082 0.000 2.093 348 R HA 0.008 4.356 4.340 0.013 0.000 0.224 348 R C 2.099 178.284 176.300 -0.191 0.000 1.101 348 R CA 0.909 56.946 56.100 -0.105 0.000 0.979 348 R CB -0.155 30.091 30.300 -0.090 0.000 0.877 348 R HN 0.211 nan 8.270 nan 0.000 0.441 349 L N -1.054 119.975 121.223 -0.324 0.000 2.044 349 L HA -0.120 4.229 4.340 0.013 0.000 0.205 349 L C 1.283 177.722 176.870 -0.718 0.000 1.075 349 L CA 1.492 55.944 54.840 -0.647 0.000 0.747 349 L CB -0.075 41.403 42.059 -0.969 0.000 0.903 349 L HN 0.206 nan 8.230 nan 0.000 0.435 350 Y N -2.437 117.836 120.300 -0.045 0.000 2.471 350 Y HA 0.276 4.834 4.550 0.013 0.000 0.249 350 Y C 1.865 177.755 175.900 -0.017 0.000 1.116 350 Y CA 0.069 58.155 58.100 -0.024 0.000 1.240 350 Y CB 0.622 39.068 38.460 -0.023 0.000 1.251 350 Y HN -0.011 nan 8.280 nan 0.000 0.527 351 G N -0.827 108.017 108.800 0.075 0.000 3.192 351 G HA2 0.373 4.341 3.960 0.013 0.000 0.239 351 G HA3 0.373 4.341 3.960 0.013 0.000 0.239 351 G C 1.267 176.178 174.900 0.019 0.000 1.084 351 G CA 0.158 45.288 45.100 0.049 0.000 0.784 351 G HN 0.398 nan 8.290 nan 0.000 0.540 352 G N -0.082 108.720 108.800 0.002 0.000 2.153 352 G HA2 -0.248 3.720 3.960 0.013 0.000 0.252 352 G HA3 -0.248 3.720 3.960 0.013 0.000 0.252 352 G C 0.456 175.350 174.900 -0.009 0.000 0.994 352 G CA 0.597 45.695 45.100 -0.004 0.000 0.698 352 G HN 0.915 nan 8.290 nan 0.000 0.521 353 S N -0.808 114.883 115.700 -0.016 0.000 2.610 353 S HA 0.639 5.117 4.470 0.013 0.000 0.273 353 S C 1.642 176.233 174.600 -0.016 0.000 1.274 353 S CA 0.938 59.130 58.200 -0.015 0.000 1.023 353 S CB 1.151 64.341 63.200 -0.017 0.000 0.962 353 S HN 1.117 nan 8.310 nan 0.000 0.523 354 T N 0.856 115.404 114.554 -0.010 0.000 3.010 354 T HA 0.227 4.585 4.350 0.013 0.000 0.257 354 T C 0.607 175.305 174.700 -0.004 0.000 1.020 354 T CA -0.166 61.931 62.100 -0.004 0.000 0.938 354 T CB -0.181 68.687 68.868 0.001 0.000 1.049 354 T HN 0.644 nan 8.240 nan 0.000 0.522 355 Q N 2.059 121.852 119.800 -0.011 0.000 2.244 355 Q HA 0.120 4.468 4.340 0.013 0.000 0.278 355 Q C -0.433 175.558 176.000 -0.016 0.000 1.093 355 Q CA 0.026 55.820 55.803 -0.015 0.000 0.916 355 Q CB 0.431 29.156 28.738 -0.022 0.000 1.159 355 Q HN 0.476 nan 8.270 nan 0.000 0.384 356 R N 2.884 123.378 120.500 -0.010 0.000 2.500 356 R HA 0.290 4.638 4.340 0.013 0.000 0.277 356 R C -0.119 176.151 176.300 -0.050 0.000 1.026 356 R CA -0.905 55.192 56.100 -0.005 0.000 1.058 356 R CB 0.688 31.005 30.300 0.027 0.000 1.078 356 R HN 0.574 nan 8.270 nan 0.000 0.509 357 M N 1.804 121.350 119.600 -0.090 0.000 2.239 357 M HA -0.015 4.473 4.480 0.013 0.000 0.348 357 M C -0.555 175.566 176.300 -0.298 0.000 1.239 357 M CA 0.087 55.220 55.300 -0.277 0.000 1.114 357 M CB 0.371 32.670 32.600 -0.501 0.000 1.641 357 M HN 0.323 nan 8.290 nan 0.000 0.453 358 D N 3.700 123.921 120.400 -0.299 0.000 2.412 358 D HA 0.128 4.776 4.640 0.013 0.000 0.224 358 D C -0.668 175.490 176.300 -0.237 0.000 1.093 358 D CA 0.136 54.032 54.000 -0.173 0.000 0.850 358 D CB 0.051 40.793 40.800 -0.096 0.000 1.046 358 D HN 0.648 nan 8.370 nan 0.000 0.507 359 Y N 2.037 122.335 120.300 -0.003 0.000 2.466 359 Y HA 0.135 4.693 4.550 0.013 0.000 0.272 359 Y C 0.925 176.814 175.900 -0.018 0.000 1.169 359 Y CA -0.202 57.891 58.100 -0.011 0.000 1.285 359 Y CB 0.454 38.908 38.460 -0.010 0.000 1.078 359 Y HN -0.020 nan 8.280 nan 0.000 0.523 360 K N 1.026 121.485 120.400 0.099 0.000 2.174 360 K HA 0.060 4.388 4.320 0.013 0.000 0.275 360 K C -0.126 176.490 176.600 0.028 0.000 1.015 360 K CA -0.048 56.275 56.287 0.060 0.000 0.933 360 K CB 0.628 33.159 32.500 0.053 0.000 1.025 360 K HN 0.229 nan 8.250 nan 0.000 0.463 361 D N 0.228 120.639 120.400 0.019 0.000 2.723 361 D HA -0.148 4.500 4.640 0.013 0.000 0.236 361 D C -0.467 175.821 176.300 -0.020 0.000 1.138 361 D CA 0.574 54.574 54.000 0.000 0.000 0.676 361 D CB -1.407 39.400 40.800 0.011 0.000 1.069 361 D HN 0.122 nan 8.370 nan 0.000 0.430 362 V N 0.429 120.332 119.914 -0.019 0.000 2.455 362 V HA 0.416 4.544 4.120 0.013 0.000 0.273 362 V C 1.202 177.262 176.094 -0.058 0.000 1.045 362 V CA -0.141 62.142 62.300 -0.029 0.000 0.976 362 V CB 1.344 33.166 31.823 -0.003 0.000 0.993 362 V HN 0.398 nan 8.190 nan 0.000 0.475 363 A N 4.567 127.348 122.820 -0.065 0.000 2.386 363 A HA 0.643 4.971 4.320 0.013 0.000 0.248 363 A C 0.303 177.831 177.584 -0.094 0.000 1.082 363 A CA 0.077 52.061 52.037 -0.089 0.000 0.789 363 A CB 0.819 19.770 19.000 -0.083 0.000 1.025 363 A HN 0.801 nan 8.150 nan 0.000 0.490 364 T N -0.171 114.307 114.554 -0.126 0.000 2.868 364 T HA 0.662 5.020 4.350 0.013 0.000 0.306 364 T C -0.907 173.666 174.700 -0.213 0.000 1.224 364 T CA -0.269 61.749 62.100 -0.135 0.000 1.012 364 T CB 1.515 70.319 68.868 -0.108 0.000 1.221 364 T HN 0.723 nan 8.240 nan 0.000 0.499 365 T N 2.070 116.446 114.554 -0.296 0.000 2.886 365 T HA 0.557 4.915 4.350 0.013 0.000 0.292 365 T C -0.888 173.432 174.700 -0.634 0.000 1.012 365 T CA -0.468 61.308 62.100 -0.540 0.000 0.982 365 T CB 1.497 69.874 68.868 -0.818 0.000 1.018 365 T HN 0.468 nan 8.240 nan 0.000 0.451 366 V N 3.876 123.481 119.914 -0.515 0.000 2.333 366 V HA 0.333 4.461 4.120 0.013 0.000 0.274 366 V C -0.365 175.542 176.094 -0.311 0.000 1.028 366 V CA -0.535 61.586 62.300 -0.299 0.000 0.851 366 V CB 0.178 31.901 31.823 -0.167 0.000 1.000 366 V HN 0.886 nan 8.190 nan 0.000 0.456 367 F N 3.307 123.224 119.950 -0.055 0.000 2.833 367 F HA 0.165 4.700 4.527 0.013 0.000 0.327 367 F C 1.628 177.258 175.800 -0.283 0.000 1.184 367 F CA -0.478 57.368 58.000 -0.257 0.000 1.328 367 F CB -0.384 38.368 39.000 -0.414 0.000 1.440 367 F HN 0.548 nan 8.300 nan 0.000 0.569 368 T N -2.357 112.229 114.554 0.054 0.000 2.766 368 T HA 0.083 4.441 4.350 0.013 0.000 0.295 368 T C -1.505 173.334 174.700 0.233 0.000 1.024 368 T CA -1.462 60.714 62.100 0.127 0.000 1.018 368 T CB 0.724 69.658 68.868 0.110 0.000 1.002 368 T HN -0.028 nan 8.240 nan 0.000 0.532 369 P HA -0.017 nan 4.420 nan 0.000 0.215 369 P C 0.262 177.743 177.300 0.303 0.000 1.157 369 P CA 0.637 63.920 63.100 0.305 0.000 0.874 369 P CB 0.007 31.826 31.700 0.198 0.000 0.790 370 L N 0.249 121.612 121.223 0.235 0.000 2.265 370 L HA 0.209 4.557 4.340 0.013 0.000 0.289 370 L C 0.104 177.110 176.870 0.226 0.000 1.033 370 L CA -0.528 54.457 54.840 0.243 0.000 0.814 370 L CB 0.244 42.424 42.059 0.202 0.000 1.203 370 L HN -0.105 nan 8.230 nan 0.000 0.423 371 E N 3.355 123.717 120.200 0.270 0.000 2.390 371 E HA 0.113 4.472 4.350 0.013 0.000 0.261 371 E C -1.463 175.290 176.600 0.255 0.000 1.076 371 E CA -0.065 56.460 56.400 0.209 0.000 0.905 371 E CB 0.864 30.689 29.700 0.209 0.000 0.984 371 E HN 0.437 nan 8.360 nan 0.000 0.427 372 Y N 0.954 121.259 120.300 0.009 0.000 2.338 372 Y HA 0.557 5.115 4.550 0.013 0.000 0.333 372 Y C -1.338 174.576 175.900 0.023 0.000 0.968 372 Y CA -1.319 56.814 58.100 0.056 0.000 1.123 372 Y CB 0.981 39.447 38.460 0.009 0.000 1.165 372 Y HN 0.526 nan 8.280 nan 0.000 0.452 373 A N 4.484 127.269 122.820 -0.059 0.000 2.413 373 A HA 0.922 5.250 4.320 0.013 0.000 0.307 373 A C -1.076 176.345 177.584 -0.272 0.000 1.087 373 A CA -0.099 51.773 52.037 -0.275 0.000 0.750 373 A CB 0.585 19.520 19.000 -0.108 0.000 1.296 373 A HN 1.335 nan 8.150 nan 0.000 0.423 374 C N -0.510 118.597 119.300 -0.322 0.000 3.285 374 C HA 0.897 5.365 4.460 0.013 0.000 0.325 374 C C -1.038 173.799 174.990 -0.255 0.000 1.304 374 C CA -0.750 58.083 59.018 -0.308 0.000 1.319 374 C CB 0.785 28.327 27.740 -0.329 0.000 1.640 374 C HN 1.681 nan 8.230 nan 0.000 0.477 375 V N 2.162 121.906 119.914 -0.285 0.000 2.932 375 V HA 0.875 5.003 4.120 0.013 0.000 0.307 375 V C 0.454 176.459 176.094 -0.148 0.000 1.147 375 V CA 1.868 64.060 62.300 -0.179 0.000 0.951 375 V CB 1.530 33.272 31.823 -0.135 0.000 1.031 375 V HN 3.007 nan 8.190 nan 0.000 0.426 376 G N 4.757 113.517 108.800 -0.067 0.000 2.584 376 G HA2 -0.148 3.820 3.960 0.013 0.000 0.229 376 G HA3 -0.148 3.820 3.960 0.013 0.000 0.229 376 G C -0.650 174.286 174.900 0.060 0.000 1.320 376 G CA -0.193 44.913 45.100 0.011 0.000 0.891 376 G HN 1.241 nan 8.290 nan 0.000 0.573 377 L N 1.263 122.573 121.223 0.145 0.000 2.397 377 L HA 0.462 4.810 4.340 0.013 0.000 0.271 377 L C 1.667 178.735 176.870 0.329 0.000 1.148 377 L CA -0.004 54.945 54.840 0.181 0.000 0.825 377 L CB 1.154 43.312 42.059 0.165 0.000 1.117 377 L HN 0.983 nan 8.230 nan 0.000 0.456 378 S N 0.629 116.492 115.700 0.272 0.000 2.576 378 S HA -0.023 4.455 4.470 0.013 0.000 0.272 378 S C 0.914 175.600 174.600 0.143 0.000 1.352 378 S CA -0.342 57.995 58.200 0.228 0.000 1.021 378 S CB 1.118 64.407 63.200 0.148 0.000 0.887 378 S HN 0.785 nan 8.310 nan 0.000 0.542 379 E N 1.198 121.422 120.200 0.040 0.000 2.058 379 E HA -0.244 4.114 4.350 0.013 0.000 0.194 379 E C 2.078 178.715 176.600 0.061 0.000 0.997 379 E CA 1.579 58.012 56.400 0.055 0.000 0.801 379 E CB -0.214 29.488 29.700 0.002 0.000 0.746 379 E HN 0.869 nan 8.360 nan 0.000 0.450 380 E N 0.600 120.826 120.200 0.042 0.000 2.110 380 E HA -0.238 4.120 4.350 0.013 0.000 0.193 380 E C 1.406 178.030 176.600 0.039 0.000 0.988 380 E CA 1.444 57.867 56.400 0.037 0.000 0.804 380 E CB -0.371 29.347 29.700 0.029 0.000 0.745 380 E HN 0.285 nan 8.360 nan 0.000 0.458 381 D N 1.566 121.994 120.400 0.047 0.000 2.144 381 D HA -0.010 4.638 4.640 0.013 0.000 0.200 381 D C 1.975 178.289 176.300 0.024 0.000 0.978 381 D CA 1.821 55.836 54.000 0.025 0.000 0.833 381 D CB -0.291 40.526 40.800 0.028 0.000 0.961 381 D HN 0.352 nan 8.370 nan 0.000 0.470 382 A N 0.425 123.298 122.820 0.089 0.000 1.898 382 A HA -0.122 4.206 4.320 0.013 0.000 0.216 382 A C 2.473 180.163 177.584 0.177 0.000 1.181 382 A CA 1.117 53.252 52.037 0.164 0.000 0.620 382 A CB -0.744 18.396 19.000 0.234 0.000 0.819 382 A HN 0.137 nan 8.150 nan 0.000 0.442 383 V N 0.556 120.539 119.914 0.115 0.000 2.343 383 V HA -0.276 3.852 4.120 0.013 0.000 0.247 383 V C 2.573 178.694 176.094 0.045 0.000 1.051 383 V CA 2.373 64.727 62.300 0.090 0.000 1.036 383 V CB -0.641 31.217 31.823 0.058 0.000 0.654 383 V HN 0.681 nan 8.190 nan 0.000 0.451 384 K N -0.170 120.233 120.400 0.005 0.000 2.026 384 K HA -0.262 4.066 4.320 0.013 0.000 0.208 384 K C 2.292 178.829 176.600 -0.105 0.000 1.048 384 K CA 2.062 58.327 56.287 -0.037 0.000 0.929 384 K CB -0.118 32.358 32.500 -0.040 0.000 0.713 384 K HN 0.535 nan 8.250 nan 0.000 0.439 385 Q N -0.917 118.766 119.800 -0.196 0.000 2.083 385 Q HA -0.105 4.243 4.340 0.013 0.000 0.198 385 Q C 1.358 177.014 176.000 -0.573 0.000 0.969 385 Q CA 1.595 57.109 55.803 -0.481 0.000 0.838 385 Q CB 0.106 28.375 28.738 -0.783 0.000 0.900 385 Q HN 0.336 nan 8.270 nan 0.000 0.436 386 F N -0.922 118.993 119.950 -0.058 0.000 2.720 386 F HA 0.371 4.906 4.527 0.013 0.000 0.301 386 F C 0.761 176.572 175.800 0.018 0.000 1.103 386 F CA 0.340 58.330 58.000 -0.016 0.000 1.291 386 F CB 1.208 40.207 39.000 -0.002 0.000 1.086 386 F HN 0.137 nan 8.300 nan 0.000 0.592 387 G N 0.718 109.605 108.800 0.144 0.000 2.895 387 G HA2 0.073 4.041 3.960 0.013 0.000 0.686 387 G HA3 0.073 4.041 3.960 0.013 0.000 0.686 387 G C 0.648 175.616 174.900 0.114 0.000 1.108 387 G CA -0.604 44.558 45.100 0.104 0.000 0.761 387 G HN 0.427 nan 8.290 nan 0.000 0.611 388 A N 1.295 124.160 122.820 0.074 0.000 1.948 388 A HA -0.075 4.253 4.320 0.013 0.000 0.220 388 A C 2.192 179.807 177.584 0.053 0.000 1.177 388 A CA 2.472 54.544 52.037 0.057 0.000 0.636 388 A CB -0.385 18.635 19.000 0.033 0.000 0.815 388 A HN 1.531 nan 8.150 nan 0.000 0.449 389 D N -0.837 119.600 120.400 0.062 0.000 2.392 389 D HA -0.094 4.554 4.640 0.013 0.000 0.228 389 D C 0.591 176.940 176.300 0.080 0.000 1.003 389 D CA 0.792 54.831 54.000 0.065 0.000 0.917 389 D CB -0.168 40.677 40.800 0.075 0.000 0.890 389 D HN 0.415 nan 8.370 nan 0.000 0.532 390 E N -0.101 120.157 120.200 0.097 0.000 2.583 390 E HA 0.191 4.549 4.350 0.013 0.000 0.213 390 E C 0.212 176.846 176.600 0.058 0.000 0.989 390 E CA -0.357 56.103 56.400 0.100 0.000 0.991 390 E CB 1.159 30.970 29.700 0.184 0.000 1.040 390 E HN 0.305 nan 8.360 nan 0.000 0.481 391 I N 1.028 121.628 120.570 0.050 0.000 2.493 391 I HA 0.363 4.541 4.170 0.013 0.000 0.298 391 I C 0.010 176.105 176.117 -0.036 0.000 0.998 391 I CA -0.920 60.415 61.300 0.058 0.000 1.137 391 I CB 1.922 39.990 38.000 0.113 0.000 1.310 391 I HN -0.143 nan 8.210 nan 0.000 0.445 392 E N 3.886 124.055 120.200 -0.053 0.000 2.266 392 E HA 0.648 5.007 4.350 0.013 0.000 0.268 392 E C -1.703 174.822 176.600 -0.125 0.000 0.879 392 E CA -0.503 55.803 56.400 -0.156 0.000 0.762 392 E CB 2.137 31.721 29.700 -0.193 0.000 1.199 392 E HN 0.278 nan 8.360 nan 0.000 0.422 393 V N 4.767 124.531 119.914 -0.251 0.000 2.444 393 V HA 0.460 4.588 4.120 0.013 0.000 0.294 393 V C -0.935 174.984 176.094 -0.292 0.000 1.022 393 V CA -0.674 61.537 62.300 -0.149 0.000 0.850 393 V CB 0.741 32.480 31.823 -0.141 0.000 0.992 393 V HN 0.579 nan 8.190 nan 0.000 0.426 394 F N 4.618 124.567 119.950 -0.002 0.000 2.408 394 F HA 0.710 5.245 4.527 0.013 0.000 0.344 394 F C 0.544 176.407 175.800 0.104 0.000 1.112 394 F CA -0.244 57.788 58.000 0.053 0.000 1.096 394 F CB 0.978 39.996 39.000 0.031 0.000 1.129 394 F HN 0.758 nan 8.300 nan 0.000 0.486 395 H N -0.043 119.067 119.070 0.066 0.000 3.017 395 H HA 0.914 5.478 4.556 0.014 0.000 0.346 395 H C -0.814 174.472 175.328 -0.070 0.000 1.286 395 H CA -1.491 54.501 56.048 -0.095 0.000 1.120 395 H CB 2.035 31.748 29.762 -0.081 0.000 1.860 395 H HN 0.873 nan 8.280 nan 0.000 0.542 396 G N -0.086 108.507 108.800 -0.345 0.000 2.466 396 G HA2 0.329 4.297 3.960 0.013 0.000 0.291 396 G HA3 0.329 4.297 3.960 0.013 0.000 0.291 396 G C -2.339 172.432 174.900 -0.214 0.000 1.460 396 G CA -1.050 43.911 45.100 -0.230 0.000 0.791 396 G HN 0.453 nan 8.290 nan 0.000 0.505 397 Y N -0.328 119.994 120.300 0.036 0.000 2.403 397 Y HA 0.707 5.264 4.550 0.013 0.000 0.323 397 Y C 0.462 176.399 175.900 0.061 0.000 1.226 397 Y CA -0.038 58.088 58.100 0.044 0.000 1.235 397 Y CB 1.831 40.273 38.460 -0.030 0.000 1.248 397 Y HN 0.759 nan 8.280 nan 0.000 0.489 398 Y N -2.018 118.305 120.300 0.038 0.000 2.689 398 Y HA 0.758 5.316 4.550 0.013 0.000 0.333 398 Y C -1.913 173.941 175.900 -0.076 0.000 1.190 398 Y CA -1.993 56.090 58.100 -0.029 0.000 1.063 398 Y CB 1.496 39.900 38.460 -0.094 0.000 1.294 398 Y HN 0.374 nan 8.280 nan 0.000 0.466 399 K N 2.062 122.456 120.400 -0.009 0.000 2.545 399 K HA 0.424 4.752 4.320 0.013 0.000 0.252 399 K C -3.108 173.351 176.600 -0.236 0.000 0.948 399 K CA -1.849 54.280 56.287 -0.264 0.000 0.827 399 K CB 2.028 34.410 32.500 -0.196 0.000 1.128 399 K HN 0.362 nan 8.250 nan 0.000 0.429 400 P HA 0.018 nan 4.420 nan 0.000 0.268 400 P C 0.343 177.454 177.300 -0.315 0.000 1.204 400 P CA -0.047 62.853 63.100 -0.334 0.000 0.768 400 P CB 0.742 31.997 31.700 -0.742 0.000 0.842 401 T N 1.295 115.828 114.554 -0.035 0.000 2.759 401 T HA -0.168 4.190 4.350 0.013 0.000 0.269 401 T C 1.185 176.012 174.700 0.212 0.000 1.042 401 T CA 1.546 63.743 62.100 0.161 0.000 1.140 401 T CB -0.402 68.592 68.868 0.209 0.000 0.864 401 T HN 0.501 nan 8.240 nan 0.000 0.455 402 E N 0.414 120.745 120.200 0.220 0.000 2.338 402 E HA 0.055 4.413 4.350 0.013 0.000 0.197 402 E C 1.442 178.322 176.600 0.466 0.000 1.007 402 E CA 0.626 57.250 56.400 0.374 0.000 0.849 402 E CB -0.417 29.492 29.700 0.349 0.000 0.774 402 E HN 0.634 nan 8.360 nan 0.000 0.506 403 F N -1.237 118.673 119.950 -0.065 0.000 2.615 403 F HA 0.054 4.589 4.527 0.014 0.000 0.297 403 F C 1.279 177.034 175.800 -0.075 0.000 1.124 403 F CA -0.191 57.748 58.000 -0.102 0.000 1.451 403 F CB 0.065 38.934 39.000 -0.218 0.000 1.103 403 F HN 0.036 nan 8.300 nan 0.000 0.569 404 F N 0.084 120.177 119.950 0.238 0.000 2.084 404 F HA -0.259 4.275 4.527 0.012 0.000 0.296 404 F C 2.287 178.096 175.800 0.015 0.000 1.111 404 F CA 0.561 58.626 58.000 0.109 0.000 1.224 404 F CB -0.333 38.716 39.000 0.082 0.000 0.991 404 F HN -0.146 nan 8.300 nan 0.000 0.471 405 I N 0.687 121.332 120.570 0.126 0.000 2.179 405 I HA -0.159 4.019 4.170 0.013 0.000 0.242 405 I C -0.431 175.613 176.117 -0.121 0.000 1.088 405 I CA 1.462 62.673 61.300 -0.149 0.000 1.357 405 I CB -2.768 34.855 38.000 -0.628 0.000 1.051 405 I HN 0.071 nan 8.210 nan 0.000 0.409 406 P HA -0.110 nan 4.420 nan 0.000 0.237 406 P C -0.033 177.267 177.300 -0.000 0.000 1.178 406 P CA 0.466 63.569 63.100 0.005 0.000 0.766 406 P CB -0.144 31.596 31.700 0.066 0.000 0.876 407 Q N -1.133 118.684 119.800 0.029 0.000 2.463 407 Q HA -0.197 4.152 4.340 0.013 0.000 0.299 407 Q C 0.069 176.065 176.000 -0.007 0.000 1.353 407 Q CA 0.571 56.398 55.803 0.040 0.000 0.828 407 Q CB -2.131 26.625 28.738 0.030 0.000 1.157 407 Q HN 0.401 nan 8.270 nan 0.000 0.436 408 K N 0.811 121.173 120.400 -0.063 0.000 2.270 408 K HA 0.300 4.628 4.320 0.013 0.000 0.276 408 K C 0.161 176.738 176.600 -0.037 0.000 1.023 408 K CA -0.031 56.133 56.287 -0.206 0.000 0.955 408 K CB 0.983 33.066 32.500 -0.695 0.000 0.975 408 K HN 0.131 nan 8.250 nan 0.000 0.471 409 S N 2.255 117.944 115.700 -0.020 0.000 2.546 409 S HA 0.008 4.486 4.470 0.013 0.000 0.290 409 S C 0.729 175.436 174.600 0.179 0.000 1.290 409 S CA -0.497 57.737 58.200 0.058 0.000 1.069 409 S CB 0.270 63.501 63.200 0.052 0.000 0.846 409 S HN 0.494 nan 8.310 nan 0.000 0.495 410 V N 4.261 124.213 119.914 0.064 0.000 3.376 410 V HA 0.385 4.513 4.120 0.013 0.000 0.313 410 V C 1.772 177.777 176.094 -0.148 0.000 1.393 410 V CA 0.196 62.477 62.300 -0.032 0.000 1.125 410 V CB -0.586 31.167 31.823 -0.116 0.000 1.037 410 V HN 0.870 nan 8.190 nan 0.000 0.440 411 R N 0.275 120.632 120.500 -0.238 0.000 2.127 411 R HA -0.110 4.238 4.340 0.013 0.000 0.238 411 R C 1.134 177.044 176.300 -0.649 0.000 1.134 411 R CA 2.249 58.015 56.100 -0.557 0.000 0.975 411 R CB -0.146 29.669 30.300 -0.809 0.000 0.865 411 R HN 0.697 nan 8.270 nan 0.000 0.447 412 Y N -2.015 118.314 120.300 0.049 0.000 2.660 412 Y HA 0.252 4.810 4.550 0.013 0.000 0.254 412 Y C -0.165 175.722 175.900 -0.022 0.000 1.176 412 Y CA -1.028 57.107 58.100 0.057 0.000 1.195 412 Y CB 0.692 39.159 38.460 0.012 0.000 1.190 412 Y HN -0.041 nan 8.280 nan 0.000 0.535 413 C N 2.265 121.517 119.300 -0.080 0.000 2.311 413 C HA 0.268 4.736 4.460 0.013 0.000 0.357 413 C C -0.317 174.424 174.990 -0.415 0.000 1.086 413 C CA -0.366 58.345 59.018 -0.512 0.000 1.486 413 C CB -2.429 24.635 27.740 -1.127 0.000 1.974 413 C HN 0.395 nan 8.230 nan 0.000 0.508 414 Y N 4.463 124.565 120.300 -0.330 0.000 2.457 414 Y HA 0.762 5.320 4.550 0.013 0.000 0.343 414 Y C -0.781 175.008 175.900 -0.184 0.000 0.994 414 Y CA -1.240 56.609 58.100 -0.417 0.000 1.031 414 Y CB 0.978 39.070 38.460 -0.613 0.000 1.246 414 Y HN 0.658 nan 8.280 nan 0.000 0.449 415 L N 3.813 124.568 121.223 -0.780 0.000 2.415 415 L HA 0.855 5.203 4.340 0.013 0.000 0.256 415 L C -2.017 174.443 176.870 -0.682 0.000 1.010 415 L CA -1.109 53.363 54.840 -0.613 0.000 0.826 415 L CB 2.723 44.385 42.059 -0.662 0.000 1.405 415 L HN 0.748 nan 8.230 nan 0.000 0.410 416 K N 1.384 121.655 120.400 -0.215 0.000 2.551 416 K HA 0.888 5.216 4.320 0.013 0.000 0.269 416 K C -1.825 174.934 176.600 0.266 0.000 0.949 416 K CA -0.682 55.602 56.287 -0.005 0.000 0.849 416 K CB 2.346 34.835 32.500 -0.018 0.000 1.411 416 K HN 0.876 nan 8.250 nan 0.000 0.432 417 A N 1.938 124.911 122.820 0.255 0.000 2.318 417 A HA 0.564 4.893 4.320 0.013 0.000 0.317 417 A C -0.952 176.780 177.584 0.246 0.000 1.159 417 A CA -0.807 51.375 52.037 0.241 0.000 0.799 417 A CB 1.357 20.450 19.000 0.156 0.000 1.194 417 A HN 0.398 nan 8.150 nan 0.000 0.479 418 V N 2.188 122.236 119.914 0.225 0.000 2.350 418 V HA 0.685 4.813 4.120 0.013 0.000 0.276 418 V C 0.508 176.693 176.094 0.151 0.000 1.028 418 V CA 0.217 62.643 62.300 0.211 0.000 0.860 418 V CB 0.713 32.693 31.823 0.262 0.000 0.990 418 V HN 1.209 nan 8.190 nan 0.000 0.453 419 A N 3.554 126.417 122.820 0.072 0.000 2.527 419 A HA 0.700 5.028 4.320 0.013 0.000 0.293 419 A C -0.320 177.066 177.584 -0.330 0.000 1.117 419 A CA -0.750 51.158 52.037 -0.215 0.000 0.723 419 A CB 1.220 20.175 19.000 -0.074 0.000 1.313 419 A HN 0.770 nan 8.150 nan 0.000 0.411 420 E N 0.416 120.150 120.200 -0.778 0.000 2.465 420 E HA 0.012 4.370 4.350 0.013 0.000 0.260 420 E C 0.892 177.368 176.600 -0.207 0.000 0.980 420 E CA -0.032 56.102 56.400 -0.443 0.000 0.927 420 E CB 0.511 29.911 29.700 -0.501 0.000 0.934 420 E HN 0.632 nan 8.360 nan 0.000 0.459 421 R N 3.779 124.174 120.500 -0.176 0.000 2.075 421 R HA -0.046 4.302 4.340 0.013 0.000 0.226 421 R C 0.614 176.699 176.300 -0.358 0.000 1.114 421 R CA 0.843 56.766 56.100 -0.294 0.000 0.972 421 R CB 0.187 30.221 30.300 -0.442 0.000 0.869 421 R HN 0.607 nan 8.270 nan 0.000 0.437 422 H N -1.832 117.233 119.070 -0.008 0.000 3.065 422 H HA 0.358 4.922 4.556 0.014 0.000 0.279 422 H C 0.845 176.162 175.328 -0.018 0.000 1.594 422 H CA 0.000 56.047 56.048 -0.002 0.000 1.547 422 H CB 0.417 30.185 29.762 0.010 0.000 1.771 422 H HN 0.349 nan 8.280 nan 0.000 0.871 423 G N 0.564 109.453 108.800 0.149 0.000 2.611 423 G HA2 -0.343 3.625 3.960 0.013 0.000 0.301 423 G HA3 -0.343 3.625 3.960 0.013 0.000 0.301 423 G C 0.457 175.371 174.900 0.023 0.000 1.233 423 G CA 0.796 45.933 45.100 0.062 0.000 0.993 423 G HN 0.630 nan 8.290 nan 0.000 0.553 424 D N 1.764 122.159 120.400 -0.007 0.000 2.355 424 D HA 0.139 4.787 4.640 0.013 0.000 0.218 424 D C 1.309 177.568 176.300 -0.068 0.000 1.004 424 D CA 1.058 55.039 54.000 -0.032 0.000 0.880 424 D CB 0.029 40.810 40.800 -0.032 0.000 0.911 424 D HN 0.650 nan 8.370 nan 0.000 0.528 425 Q N -0.006 119.739 119.800 -0.092 0.000 2.463 425 Q HA -0.238 4.110 4.340 0.013 0.000 0.299 425 Q C -0.107 175.763 176.000 -0.216 0.000 1.353 425 Q CA 0.180 55.897 55.803 -0.143 0.000 0.828 425 Q CB -1.320 27.367 28.738 -0.085 0.000 1.157 425 Q HN 0.141 nan 8.270 nan 0.000 0.436 426 R N 0.287 120.621 120.500 -0.278 0.000 2.538 426 R HA 0.178 4.526 4.340 0.013 0.000 0.282 426 R C -0.362 175.645 176.300 -0.489 0.000 1.009 426 R CA 0.160 56.072 56.100 -0.313 0.000 1.063 426 R CB 0.695 30.838 30.300 -0.261 0.000 0.945 426 R HN 0.128 nan 8.270 nan 0.000 0.414 427 V N 7.131 126.867 119.914 -0.297 0.000 2.572 427 V HA 0.000 4.129 4.120 0.013 0.000 0.291 427 V C 0.545 176.539 176.094 -0.167 0.000 1.039 427 V CA 0.440 62.595 62.300 -0.241 0.000 1.055 427 V CB 0.718 32.461 31.823 -0.134 0.000 0.969 427 V HN 0.846 nan 8.190 nan 0.000 0.482 428 Y N 2.724 123.018 120.300 -0.010 0.000 2.522 428 Y HA 0.454 5.012 4.550 0.013 0.000 0.277 428 Y C 1.368 177.296 175.900 0.046 0.000 1.104 428 Y CA 0.197 58.310 58.100 0.023 0.000 1.260 428 Y CB 0.890 39.378 38.460 0.047 0.000 1.151 428 Y HN 0.715 nan 8.280 nan 0.000 0.539 429 G N 0.224 109.148 108.800 0.205 0.000 2.742 429 G HA2 0.603 4.571 3.960 0.013 0.000 0.296 429 G HA3 0.603 4.571 3.960 0.013 0.000 0.296 429 G C -2.075 172.870 174.900 0.075 0.000 1.436 429 G CA -0.646 44.532 45.100 0.131 0.000 0.928 429 G HN -0.038 nan 8.290 nan 0.000 0.520 430 L N 1.736 122.877 121.223 -0.137 0.000 2.408 430 L HA 0.617 4.965 4.340 0.013 0.000 0.268 430 L C -0.920 175.814 176.870 -0.227 0.000 0.986 430 L CA -0.959 53.809 54.840 -0.121 0.000 0.820 430 L CB 2.688 44.477 42.059 -0.448 0.000 1.303 430 L HN 0.507 nan 8.230 nan 0.000 0.411 431 H N 2.641 121.916 119.070 0.342 0.000 2.856 431 H HA 0.361 4.925 4.556 0.013 0.000 0.355 431 H C -1.897 173.740 175.328 0.514 0.000 1.079 431 H CA -0.545 55.771 56.048 0.446 0.000 1.240 431 H CB 2.979 32.988 29.762 0.412 0.000 1.701 431 H HN 0.588 nan 8.280 nan 0.000 0.527 432 Y N 3.237 123.832 120.300 0.492 0.000 2.396 432 Y HA 0.459 5.017 4.550 0.013 0.000 0.332 432 Y C -1.746 174.389 175.900 0.392 0.000 1.034 432 Y CA -0.684 57.602 58.100 0.309 0.000 1.057 432 Y CB 1.154 39.776 38.460 0.270 0.000 1.220 432 Y HN 0.503 nan 8.280 nan 0.000 0.440 433 I N 6.623 127.162 120.570 -0.052 0.000 2.406 433 I HA 0.834 5.012 4.170 0.013 0.000 0.290 433 I C 0.209 176.105 176.117 -0.368 0.000 0.999 433 I CA -0.328 60.955 61.300 -0.029 0.000 1.124 433 I CB 1.599 39.620 38.000 0.035 0.000 1.289 433 I HN 0.890 nan 8.210 nan 0.000 0.441 434 G N 6.862 115.588 108.800 -0.125 0.000 2.327 434 G HA2 0.195 4.163 3.960 0.013 0.000 0.291 434 G HA3 0.195 4.163 3.960 0.013 0.000 0.291 434 G C -3.318 171.795 174.900 0.354 0.000 1.290 434 G CA -0.729 44.367 45.100 -0.007 0.000 0.857 434 G HN 0.287 nan 8.290 nan 0.000 0.520 435 P HA 0.341 nan 4.420 nan 0.000 0.271 435 P C 0.976 178.523 177.300 0.412 0.000 1.218 435 P CA 1.412 64.750 63.100 0.397 0.000 0.780 435 P CB 1.185 33.092 31.700 0.345 0.000 0.901 436 V N -1.919 118.195 119.914 0.334 0.000 5.479 436 V HA -0.316 3.812 4.120 0.013 0.000 0.289 436 V C 1.319 177.526 176.094 0.188 0.000 0.595 436 V CA 1.084 63.538 62.300 0.255 0.000 0.649 436 V CB -3.001 28.929 31.823 0.177 0.000 0.390 436 V HN 0.747 nan 8.190 nan 0.000 0.974 437 A N 0.809 123.784 122.820 0.257 0.000 1.933 437 A HA 0.181 4.509 4.320 0.013 0.000 0.218 437 A C 2.357 179.933 177.584 -0.012 0.000 1.175 437 A CA 2.322 54.464 52.037 0.176 0.000 0.628 437 A CB -0.845 18.371 19.000 0.360 0.000 0.814 437 A HN 1.792 nan 8.150 nan 0.000 0.444 438 G N -0.493 108.310 108.800 0.005 0.000 2.403 438 G HA2 -0.126 3.843 3.960 0.013 0.000 0.216 438 G HA3 -0.126 3.843 3.960 0.013 0.000 0.216 438 G C 1.332 176.242 174.900 0.017 0.000 1.154 438 G CA 0.864 45.960 45.100 -0.007 0.000 0.784 438 G HN 0.496 nan 8.290 nan 0.000 0.538 439 E N 0.694 120.921 120.200 0.045 0.000 2.077 439 E HA -0.087 4.272 4.350 0.013 0.000 0.193 439 E C 2.826 179.407 176.600 -0.032 0.000 0.989 439 E CA 0.725 57.136 56.400 0.017 0.000 0.800 439 E CB -0.687 29.038 29.700 0.041 0.000 0.746 439 E HN 0.327 nan 8.360 nan 0.000 0.452 440 V N 1.883 121.744 119.914 -0.087 0.000 2.261 440 V HA -0.215 3.913 4.120 0.013 0.000 0.246 440 V C 2.384 178.489 176.094 0.019 0.000 1.047 440 V CA 1.269 63.502 62.300 -0.112 0.000 1.015 440 V CB -0.322 31.203 31.823 -0.496 0.000 0.642 440 V HN 0.204 nan 8.190 nan 0.000 0.446 441 I N -0.118 120.428 120.570 -0.039 0.000 2.439 441 I HA -0.173 4.005 4.170 0.013 0.000 0.251 441 I C 2.490 178.603 176.117 -0.006 0.000 1.139 441 I CA 1.311 62.607 61.300 -0.008 0.000 1.438 441 I CB -1.050 36.907 38.000 -0.072 0.000 1.085 441 I HN 0.421 nan 8.210 nan 0.000 0.427 442 Q N 1.548 121.325 119.800 -0.038 0.000 2.062 442 Q HA -0.195 4.153 4.340 0.013 0.000 0.209 442 Q C 2.198 178.143 176.000 -0.093 0.000 0.996 442 Q CA 2.647 58.416 55.803 -0.057 0.000 0.859 442 Q CB -0.851 27.858 28.738 -0.049 0.000 0.920 442 Q HN 0.461 nan 8.270 nan 0.000 0.415 443 G N -1.365 107.339 108.800 -0.161 0.000 2.432 443 G HA2 -0.212 3.757 3.960 0.013 0.000 0.219 443 G HA3 -0.212 3.757 3.960 0.013 0.000 0.219 443 G C 0.997 175.711 174.900 -0.310 0.000 1.135 443 G CA 0.718 45.659 45.100 -0.265 0.000 0.767 443 G HN 0.393 nan 8.290 nan 0.000 0.550 444 F N 1.635 121.469 119.950 -0.193 0.000 2.293 444 F HA 0.146 4.681 4.527 0.013 0.000 0.300 444 F C 2.918 178.596 175.800 -0.205 0.000 1.086 444 F CA 0.591 58.442 58.000 -0.248 0.000 1.375 444 F CB -0.260 38.486 39.000 -0.424 0.000 1.045 444 F HN 0.228 nan 8.300 nan 0.000 0.516 445 A N 0.102 122.912 122.820 -0.016 0.000 1.902 445 A HA -0.071 4.257 4.320 0.013 0.000 0.217 445 A C 2.432 179.986 177.584 -0.050 0.000 1.181 445 A CA 1.704 53.713 52.037 -0.046 0.000 0.623 445 A CB -1.210 17.756 19.000 -0.057 0.000 0.818 445 A HN 0.289 nan 8.150 nan 0.000 0.443 446 A N -0.254 122.525 122.820 -0.069 0.000 1.930 446 A HA 0.217 4.545 4.320 0.013 0.000 0.217 446 A C 2.456 180.000 177.584 -0.067 0.000 1.175 446 A CA 1.847 53.841 52.037 -0.071 0.000 0.627 446 A CB -0.870 18.077 19.000 -0.088 0.000 0.815 446 A HN 1.001 nan 8.150 nan 0.000 0.443 447 A N -0.607 122.168 122.820 -0.075 0.000 1.902 447 A HA -0.020 4.308 4.320 0.013 0.000 0.217 447 A C 2.082 179.647 177.584 -0.031 0.000 1.181 447 A CA 1.651 53.655 52.037 -0.055 0.000 0.623 447 A CB -0.546 18.428 19.000 -0.043 0.000 0.818 447 A HN 0.488 nan 8.150 nan 0.000 0.443 448 L N -0.246 120.963 121.223 -0.023 0.000 2.046 448 L HA -0.123 4.225 4.340 0.013 0.000 0.208 448 L C 2.197 179.058 176.870 -0.014 0.000 1.077 448 L CA 1.806 56.634 54.840 -0.019 0.000 0.747 448 L CB -0.341 41.705 42.059 -0.021 0.000 0.896 448 L HN 0.188 nan 8.230 nan 0.000 0.432 449 K N -1.338 119.049 120.400 -0.021 0.000 2.209 449 K HA -0.055 4.273 4.320 0.013 0.000 0.204 449 K C 2.032 178.621 176.600 -0.019 0.000 1.048 449 K CA 1.112 57.388 56.287 -0.018 0.000 0.940 449 K CB -0.288 32.196 32.500 -0.028 0.000 0.729 449 K HN 0.246 nan 8.250 nan 0.000 0.451 450 S N -0.590 115.094 115.700 -0.026 0.000 2.605 450 S HA 0.156 4.634 4.470 0.013 0.000 0.217 450 S C 0.813 175.399 174.600 -0.023 0.000 0.958 450 S CA 0.640 58.824 58.200 -0.027 0.000 0.919 450 S CB -0.032 63.145 63.200 -0.038 0.000 0.780 450 S HN 0.529 nan 8.310 nan 0.000 0.507 451 G N 1.206 109.995 108.800 -0.019 0.000 2.132 451 G HA2 -0.221 3.747 3.960 0.013 0.000 0.228 451 G HA3 -0.221 3.747 3.960 0.013 0.000 0.228 451 G C -0.054 174.825 174.900 -0.034 0.000 1.000 451 G CA 0.079 45.168 45.100 -0.019 0.000 0.693 451 G HN 0.581 nan 8.290 nan 0.000 0.515 452 L N 2.379 123.580 121.223 -0.037 0.000 2.678 452 L HA 0.443 4.791 4.340 0.013 0.000 0.285 452 L C 1.194 178.018 176.870 -0.076 0.000 1.233 452 L CA 1.438 56.249 54.840 -0.047 0.000 0.920 452 L CB 0.170 42.209 42.059 -0.032 0.000 1.176 452 L HN 0.649 nan 8.230 nan 0.000 0.495 453 T N 2.307 116.812 114.554 -0.082 0.000 2.952 453 T HA 0.406 4.764 4.350 0.013 0.000 0.286 453 T C 1.486 176.106 174.700 -0.134 0.000 1.024 453 T CA -0.922 61.111 62.100 -0.112 0.000 1.029 453 T CB 0.999 69.812 68.868 -0.091 0.000 1.094 453 T HN 0.409 nan 8.240 nan 0.000 0.515 454 I N 1.538 122.001 120.570 -0.178 0.000 2.163 454 I HA -0.194 3.984 4.170 0.013 0.000 0.243 454 I C 2.378 178.374 176.117 -0.201 0.000 1.085 454 I CA 1.561 62.706 61.300 -0.259 0.000 1.347 454 I CB -1.654 36.130 38.000 -0.360 0.000 1.044 454 I HN 0.760 nan 8.210 nan 0.000 0.408 455 N N -0.049 118.570 118.700 -0.134 0.000 2.069 455 N HA -0.172 4.576 4.740 0.013 0.000 0.191 455 N C 1.683 177.149 175.510 -0.074 0.000 1.031 455 N CA 1.939 54.934 53.050 -0.091 0.000 0.852 455 N CB -0.069 38.382 38.487 -0.059 0.000 1.018 455 N HN 0.368 nan 8.380 nan 0.000 0.423 456 T N 1.697 116.211 114.554 -0.067 0.000 2.708 456 T HA -0.118 4.240 4.350 0.013 0.000 0.266 456 T C 1.912 176.590 174.700 -0.036 0.000 1.037 456 T CA 0.666 62.738 62.100 -0.046 0.000 1.146 456 T CB -0.322 68.521 68.868 -0.042 0.000 0.865 456 T HN 0.109 nan 8.240 nan 0.000 0.435 457 L N 1.083 122.276 121.223 -0.051 0.000 1.970 457 L HA 0.062 4.410 4.340 0.013 0.000 0.212 457 L C 2.206 179.064 176.870 -0.019 0.000 1.071 457 L CA 1.589 56.419 54.840 -0.018 0.000 0.751 457 L CB -0.705 41.312 42.059 -0.071 0.000 0.889 457 L HN 0.261 nan 8.230 nan 0.000 0.432 458 I N -0.538 119.985 120.570 -0.078 0.000 2.614 458 I HA -0.226 3.952 4.170 0.013 0.000 0.258 458 I C 1.366 177.464 176.117 -0.032 0.000 1.189 458 I CA 1.049 62.308 61.300 -0.068 0.000 1.462 458 I CB -0.211 37.716 38.000 -0.122 0.000 1.092 458 I HN 0.429 nan 8.210 nan 0.000 0.442 459 N N 0.197 118.879 118.700 -0.030 0.000 2.280 459 N HA 0.054 4.802 4.740 0.013 0.000 0.192 459 N C 0.021 175.527 175.510 -0.007 0.000 1.109 459 N CA 0.191 53.230 53.050 -0.018 0.000 0.855 459 N CB 0.228 38.702 38.487 -0.022 0.000 0.974 459 N HN 0.208 nan 8.380 nan 0.000 0.482 460 T N 1.438 115.994 114.554 0.003 0.000 2.834 460 T HA 0.147 4.505 4.350 0.013 0.000 0.298 460 T C 0.655 175.368 174.700 0.021 0.000 0.966 460 T CA -0.157 61.950 62.100 0.012 0.000 1.141 460 T CB 1.650 70.536 68.868 0.031 0.000 0.905 460 T HN -0.216 nan 8.240 nan 0.000 0.535 461 V N 3.858 123.779 119.914 0.011 0.000 2.572 461 V HA 0.342 4.470 4.120 0.013 0.000 0.291 461 V C 1.305 177.417 176.094 0.031 0.000 1.039 461 V CA -0.481 61.828 62.300 0.016 0.000 1.055 461 V CB 0.761 32.589 31.823 0.008 0.000 0.969 461 V HN 1.027 nan 8.190 nan 0.000 0.482 462 G N 4.561 113.386 108.800 0.042 0.000 2.527 462 G HA2 0.458 4.426 3.960 0.013 0.000 0.248 462 G HA3 0.458 4.426 3.960 0.013 0.000 0.248 462 G C -0.358 174.586 174.900 0.072 0.000 1.231 462 G CA -0.624 44.516 45.100 0.067 0.000 0.838 462 G HN 0.669 nan 8.290 nan 0.000 0.570 463 I N 0.993 121.612 120.570 0.081 0.000 2.325 463 I HA 0.188 4.366 4.170 0.013 0.000 0.291 463 I C -0.048 176.156 176.117 0.145 0.000 1.019 463 I CA -0.516 60.836 61.300 0.087 0.000 1.302 463 I CB 1.123 39.153 38.000 0.048 0.000 1.401 463 I HN 0.493 nan 8.210 nan 0.000 0.485 464 H N 7.616 126.706 119.070 0.034 0.000 2.495 464 H HA 0.584 5.148 4.556 0.014 0.000 0.348 464 H C -2.499 172.858 175.328 0.048 0.000 1.113 464 H CA -1.949 54.126 56.048 0.044 0.000 1.195 464 H CB 1.585 31.373 29.762 0.042 0.000 1.521 464 H HN 0.316 nan 8.280 nan 0.000 0.509 465 P HA 0.307 nan 4.420 nan 0.000 0.297 465 P C -1.197 176.060 177.300 -0.071 0.000 1.331 465 P CA -0.620 62.229 63.100 -0.418 0.000 0.803 465 P CB 1.405 32.813 31.700 -0.487 0.000 0.929 466 T N -2.563 112.011 114.554 0.033 0.000 2.812 466 T HA 0.467 4.825 4.350 0.013 0.000 0.294 466 T C 0.929 175.661 174.700 0.053 0.000 1.159 466 T CA -0.158 61.970 62.100 0.046 0.000 1.008 466 T CB 1.185 70.083 68.868 0.050 0.000 1.289 466 T HN 0.302 nan 8.240 nan 0.000 0.514 467 T N -1.948 112.632 114.554 0.043 0.000 3.044 467 T HA 0.264 4.622 4.350 0.013 0.000 0.255 467 T C 2.305 176.961 174.700 -0.073 0.000 1.073 467 T CA 0.651 62.737 62.100 -0.024 0.000 1.125 467 T CB -0.675 68.247 68.868 0.090 0.000 0.908 467 T HN 0.865 nan 8.240 nan 0.000 0.480 468 A N 2.829 125.655 122.820 0.010 0.000 2.019 468 A HA -0.116 4.213 4.320 0.013 0.000 0.219 468 A C 2.281 179.968 177.584 0.172 0.000 1.164 468 A CA 1.599 53.699 52.037 0.105 0.000 0.644 468 A CB -0.793 18.296 19.000 0.148 0.000 0.805 468 A HN 0.848 nan 8.150 nan 0.000 0.449 469 E N -0.070 120.190 120.200 0.100 0.000 2.333 469 E HA -0.215 4.143 4.350 0.013 0.000 0.198 469 E C 1.126 177.753 176.600 0.044 0.000 1.007 469 E CA 1.114 57.579 56.400 0.108 0.000 0.845 469 E CB -0.256 29.510 29.700 0.109 0.000 0.766 469 E HN 0.563 nan 8.360 nan 0.000 0.507 470 E N 0.378 120.529 120.200 -0.082 0.000 2.204 470 E HA -0.147 4.211 4.350 0.013 0.000 0.195 470 E C 1.580 178.055 176.600 -0.209 0.000 0.990 470 E CA 0.717 56.999 56.400 -0.196 0.000 0.821 470 E CB -0.298 29.134 29.700 -0.446 0.000 0.750 470 E HN 0.395 nan 8.360 nan 0.000 0.477 471 F N 1.235 121.099 119.950 -0.142 0.000 2.269 471 F HA -0.127 4.408 4.527 0.013 0.000 0.301 471 F C 2.602 178.319 175.800 -0.138 0.000 1.082 471 F CA 1.612 59.464 58.000 -0.245 0.000 1.360 471 F CB -0.500 38.109 39.000 -0.652 0.000 1.041 471 F HN 0.031 nan 8.300 nan 0.000 0.512 472 T N -1.829 112.808 114.554 0.138 0.000 3.129 472 T HA 0.008 4.367 4.350 0.013 0.000 0.251 472 T C 1.172 175.889 174.700 0.027 0.000 1.117 472 T CA -0.071 62.086 62.100 0.095 0.000 1.034 472 T CB -0.361 68.577 68.868 0.116 0.000 0.968 472 T HN 0.440 nan 8.240 nan 0.000 0.526 473 R N 0.307 120.812 120.500 0.008 0.000 2.698 473 R HA 0.395 4.743 4.340 0.013 0.000 0.422 473 R C -0.701 175.601 176.300 0.004 0.000 1.073 473 R CA -0.766 55.335 56.100 0.001 0.000 1.054 473 R CB -0.180 30.123 30.300 0.005 0.000 1.373 473 R HN 0.118 nan 8.270 nan 0.000 0.593 474 L N 2.155 123.377 121.223 -0.001 0.000 2.448 474 L HA 0.265 4.613 4.340 0.013 0.000 0.278 474 L C 1.049 178.011 176.870 0.153 0.000 1.201 474 L CA -0.032 54.841 54.840 0.054 0.000 1.036 474 L CB 0.501 42.594 42.059 0.056 0.000 1.325 474 L HN 0.499 nan 8.230 nan 0.000 0.441 475 A N 3.975 126.887 122.820 0.153 0.000 2.169 475 A HA 0.253 4.582 4.320 0.013 0.000 0.210 475 A C 0.860 178.589 177.584 0.242 0.000 1.168 475 A CA 0.242 52.391 52.037 0.187 0.000 0.813 475 A CB 0.193 19.255 19.000 0.103 0.000 0.861 475 A HN 0.378 nan 8.150 nan 0.000 0.481 476 I N 2.090 122.788 120.570 0.213 0.000 2.336 476 I HA 0.252 4.430 4.170 0.013 0.000 0.292 476 I C 0.479 176.683 176.117 0.145 0.000 0.991 476 I CA 0.031 61.424 61.300 0.156 0.000 1.227 476 I CB 0.817 38.889 38.000 0.120 0.000 1.366 476 I HN 0.235 nan 8.210 nan 0.000 0.466 477 T N 2.431 116.965 114.554 -0.033 0.000 2.928 477 T HA 0.387 4.745 4.350 0.013 0.000 0.284 477 T C 0.979 175.619 174.700 -0.100 0.000 1.008 477 T CA -0.766 61.190 62.100 -0.241 0.000 1.057 477 T CB 2.062 70.641 68.868 -0.482 0.000 1.018 477 T HN 0.521 nan 8.240 nan 0.000 0.493 478 K N 0.271 120.510 120.400 -0.268 0.000 2.057 478 K HA -0.103 4.225 4.320 0.013 0.000 0.207 478 K C 2.458 178.992 176.600 -0.110 0.000 1.049 478 K CA 1.062 57.208 56.287 -0.235 0.000 0.931 478 K CB -0.099 32.184 32.500 -0.362 0.000 0.714 478 K HN 0.600 nan 8.250 nan 0.000 0.440 479 R N 0.209 120.627 120.500 -0.137 0.000 2.062 479 R HA -0.013 4.335 4.340 0.013 0.000 0.229 479 R C 1.259 177.524 176.300 -0.058 0.000 1.128 479 R CA 1.581 57.628 56.100 -0.089 0.000 0.960 479 R CB 0.146 30.384 30.300 -0.103 0.000 0.855 479 R HN -0.047 nan 8.270 nan 0.000 0.432 480 S N -0.847 114.809 115.700 -0.073 0.000 2.666 480 S HA 0.261 4.739 4.470 0.013 0.000 0.239 480 S C 0.425 175.014 174.600 -0.018 0.000 1.031 480 S CA 0.126 58.301 58.200 -0.041 0.000 1.015 480 S CB 1.290 64.461 63.200 -0.049 0.000 0.981 480 S HN 0.734 nan 8.310 nan 0.000 0.547 481 G N 2.523 111.317 108.800 -0.010 0.000 2.660 481 G HA2 -0.357 3.611 3.960 0.013 0.000 0.321 481 G HA3 -0.357 3.611 3.960 0.013 0.000 0.321 481 G C 0.674 175.593 174.900 0.031 0.000 1.246 481 G CA 0.887 46.004 45.100 0.029 0.000 1.000 481 G HN 0.403 nan 8.290 nan 0.000 0.550 482 L N 0.668 121.916 121.223 0.041 0.000 2.313 482 L HA 0.358 4.706 4.340 0.013 0.000 0.214 482 L C 0.928 177.826 176.870 0.046 0.000 1.119 482 L CA 1.335 56.206 54.840 0.052 0.000 0.809 482 L CB -0.110 41.977 42.059 0.045 0.000 0.933 482 L HN 0.580 nan 8.230 nan 0.000 0.449 483 D N 0.000 120.418 120.400 0.030 0.000 6.856 483 D HA 0.000 4.648 4.640 0.013 0.000 0.175 483 D CA 0.000 54.017 54.000 0.028 0.000 0.868 483 D CB 0.000 40.818 40.800 0.030 0.000 0.688 483 D HN 0.000 nan 8.370 nan 0.000 0.683