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 1ecl_1_A DATA FIRST_RESID 2 DATA SEQUENCE GKALVIVESP AKAKTINKYL GSDYVVKSSV GHIRDLPXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX DERGALVNRM GVDPWHNWEA HYEVLPGKEK VVSELKQLAE DATA SEQUENCE KADHIYLATD LDREGEAIAW HLREVIGGDD ARYSRVVFNE ITKNAIRQAF DATA SEQUENCE NKPGELNIDR VNAQQARRFM DRVVGYMVSP LLWKKIARGL SAGRVQSVAV DATA SEQUENCE RLVVEREREI KAFVPEEFWE VDASTTTPSG EALALQVTHQ NDKPFRPVNK DATA SEQUENCE EQTQAAVSLL EKARYSVLER EDKPTTSKPG APFITSTLQQ AASTRLGFGV DATA SEQUENCE KKTMMMAQRL YEAGYITYMR TDSTNLSQDA VNMVRGYISD NFGKKYLPES DATA SEQUENCE PNQYAXXXXX XXXHEAIRPS DVNVMAESLK DMEADAQKLY QLIWRQFVAC DATA SEQUENCE QMTPAKYDST TLTVGAGDFR LKARGRILRF DGWTKVMPAL XXXXXXRILP DATA SEQUENCE AVNKGDALTL VELTPAQHFT KPPARFSEAS LVKELEKRGI GRPSTYASII DATA SEQUENCE STIQDRGYVR VENRRFYAEK MGEIVTDRLE ENFRELMNYD FTAQMENSLD DATA SEQUENCE QVANHEAEWK AVLDHFFSDF TQQLDKAEKD PEEGGMRPN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 2 G C 0.000 174.885 174.900 -0.026 0.000 0.946 2 G CA 0.000 45.089 45.100 -0.018 0.000 0.502 3 K N 0.666 121.050 120.400 -0.025 0.000 2.244 3 K HA 0.581 4.899 4.320 -0.002 0.000 0.242 3 K C -0.004 176.591 176.600 -0.009 0.000 1.082 3 K CA 0.436 56.696 56.287 -0.044 0.000 0.841 3 K CB 0.420 32.909 32.500 -0.018 0.000 1.129 3 K HN 0.508 nan 8.250 nan 0.000 0.516 4 A N 0.879 123.699 122.820 0.000 0.000 2.331 4 A HA 0.427 4.746 4.320 -0.002 0.000 0.320 4 A C -1.318 176.433 177.584 0.279 0.000 1.138 4 A CA -0.694 51.461 52.037 0.197 0.000 0.790 4 A CB 0.763 19.934 19.000 0.284 0.000 1.206 4 A HN 0.463 nan 8.150 nan 0.000 0.470 5 L N 3.601 124.979 121.223 0.259 0.000 2.276 5 L HA 0.617 4.955 4.340 -0.002 0.000 0.286 5 L C -0.762 176.313 176.870 0.342 0.000 1.061 5 L CA 0.096 55.067 54.840 0.219 0.000 0.807 5 L CB 1.286 43.405 42.059 0.099 0.000 1.177 5 L HN 0.387 nan 8.230 nan 0.000 0.429 6 V N 7.107 127.208 119.914 0.311 0.000 2.409 6 V HA 0.454 4.573 4.120 -0.002 0.000 0.291 6 V C 0.062 176.292 176.094 0.226 0.000 1.020 6 V CA -0.449 62.057 62.300 0.343 0.000 0.848 6 V CB 1.379 33.379 31.823 0.295 0.000 0.990 6 V HN 0.603 nan 8.190 nan 0.000 0.430 7 I N 6.087 126.790 120.570 0.222 0.000 2.339 7 I HA 0.603 4.771 4.170 -0.002 0.000 0.290 7 I C -0.088 176.123 176.117 0.157 0.000 0.994 7 I CA -0.770 60.626 61.300 0.160 0.000 1.191 7 I CB 1.788 39.868 38.000 0.134 0.000 1.343 7 I HN 0.513 nan 8.210 nan 0.000 0.458 8 V N 2.994 122.989 119.914 0.135 0.000 3.019 8 V HA 0.492 4.611 4.120 -0.002 0.000 0.317 8 V C 0.911 177.069 176.094 0.106 0.000 1.094 8 V CA -0.610 61.772 62.300 0.137 0.000 1.000 8 V CB 1.883 33.798 31.823 0.154 0.000 1.060 8 V HN 0.828 nan 8.190 nan 0.000 0.443 9 E N 1.224 121.486 120.200 0.104 0.000 2.427 9 E HA 0.055 4.403 4.350 -0.002 0.000 0.196 9 E C 0.741 177.408 176.600 0.113 0.000 1.028 9 E CA 1.045 57.505 56.400 0.101 0.000 0.864 9 E CB 0.171 29.919 29.700 0.079 0.000 0.813 9 E HN 0.952 nan 8.360 nan 0.000 0.514 10 S N -0.435 115.328 115.700 0.104 0.000 2.588 10 S HA 0.469 4.938 4.470 -0.002 0.000 0.275 10 S C -2.568 172.068 174.600 0.061 0.000 1.130 10 S CA -1.431 56.822 58.200 0.088 0.000 0.855 10 S CB 2.534 65.793 63.200 0.100 0.000 1.116 10 S HN -0.311 nan 8.310 nan 0.000 0.472 11 P HA 0.133 nan 4.420 nan 0.000 0.220 11 P C 1.554 178.859 177.300 0.009 0.000 1.152 11 P CA 1.556 64.671 63.100 0.024 0.000 0.812 11 P CB -0.102 31.610 31.700 0.020 0.000 0.792 12 A N 0.240 123.068 122.820 0.014 0.000 1.877 12 A HA -0.229 4.089 4.320 -0.002 0.000 0.216 12 A C 2.176 179.743 177.584 -0.028 0.000 1.186 12 A CA 1.740 53.772 52.037 -0.007 0.000 0.620 12 A CB -1.106 17.899 19.000 0.009 0.000 0.822 12 A HN 0.082 nan 8.150 nan 0.000 0.443 13 K N -0.551 119.849 120.400 0.000 0.000 2.057 13 K HA -0.080 4.239 4.320 -0.002 0.000 0.207 13 K C 2.358 178.948 176.600 -0.017 0.000 1.049 13 K CA 1.032 57.315 56.287 -0.008 0.000 0.931 13 K CB -0.343 32.198 32.500 0.068 0.000 0.714 13 K HN 0.446 nan 8.250 nan 0.000 0.440 14 A N 1.982 124.804 122.820 0.004 0.000 1.873 14 A HA -0.270 4.048 4.320 -0.002 0.000 0.218 14 A C 2.060 179.611 177.584 -0.055 0.000 1.193 14 A CA 1.919 53.952 52.037 -0.008 0.000 0.629 14 A CB -0.522 18.483 19.000 0.008 0.000 0.826 14 A HN 0.235 nan 8.150 nan 0.000 0.447 15 K N -1.213 119.149 120.400 -0.063 0.000 2.063 15 K HA -0.153 4.166 4.320 -0.002 0.000 0.208 15 K C 2.091 178.599 176.600 -0.153 0.000 1.048 15 K CA 1.937 58.166 56.287 -0.096 0.000 0.928 15 K CB -0.355 32.096 32.500 -0.080 0.000 0.713 15 K HN 0.508 nan 8.250 nan 0.000 0.442 16 T N 1.805 116.266 114.554 -0.155 0.000 2.701 16 T HA -0.112 4.237 4.350 -0.002 0.000 0.263 16 T C 1.812 176.368 174.700 -0.241 0.000 1.040 16 T CA 1.301 63.278 62.100 -0.204 0.000 1.147 16 T CB -0.166 68.596 68.868 -0.176 0.000 0.865 16 T HN 0.287 nan 8.240 nan 0.000 0.426 17 I N 1.536 122.008 120.570 -0.163 0.000 2.361 17 I HA -0.216 3.953 4.170 -0.002 0.000 0.251 17 I C 2.272 178.248 176.117 -0.235 0.000 1.133 17 I CA 1.241 62.444 61.300 -0.161 0.000 1.413 17 I CB -0.140 37.778 38.000 -0.137 0.000 1.073 17 I HN 0.152 nan 8.210 nan 0.000 0.424 18 N N 1.512 120.081 118.700 -0.218 0.000 2.289 18 N HA -0.215 4.524 4.740 -0.002 0.000 0.184 18 N C 1.634 176.970 175.510 -0.291 0.000 1.016 18 N CA 1.372 54.292 53.050 -0.216 0.000 0.872 18 N CB -0.108 38.291 38.487 -0.147 0.000 0.973 18 N HN 0.330 nan 8.380 nan 0.000 0.433 19 K N -1.087 119.046 120.400 -0.444 0.000 2.280 19 K HA -0.132 4.186 4.320 -0.002 0.000 0.202 19 K C 0.302 176.499 176.600 -0.671 0.000 1.047 19 K CA 0.945 56.858 56.287 -0.624 0.000 0.942 19 K CB -0.050 31.885 32.500 -0.941 0.000 0.739 19 K HN 0.393 nan 8.250 nan 0.000 0.457 20 Y N -0.054 120.124 120.300 -0.204 0.000 2.584 20 Y HA 0.319 4.868 4.550 -0.002 0.000 0.254 20 Y C -0.031 175.676 175.900 -0.322 0.000 1.177 20 Y CA -0.359 57.602 58.100 -0.230 0.000 1.216 20 Y CB 0.442 38.757 38.460 -0.240 0.000 1.172 20 Y HN -0.169 nan 8.280 nan 0.000 0.529 21 L N -0.189 120.886 121.223 -0.246 0.000 2.381 21 L HA 0.689 5.027 4.340 -0.002 0.000 0.274 21 L C 0.811 177.615 176.870 -0.110 0.000 0.988 21 L CA -0.912 53.715 54.840 -0.353 0.000 0.824 21 L CB 1.898 43.567 42.059 -0.650 0.000 1.263 21 L HN 0.201 nan 8.230 nan 0.000 0.410 22 G N 0.287 109.106 108.800 0.031 0.000 2.516 22 G HA2 0.161 4.119 3.960 -0.002 0.000 0.276 22 G HA3 0.161 4.119 3.960 -0.002 0.000 0.276 22 G C 1.023 175.973 174.900 0.083 0.000 1.390 22 G CA 0.280 45.411 45.100 0.053 0.000 1.050 22 G HN 0.704 nan 8.290 nan 0.000 0.519 23 S N -1.269 114.444 115.700 0.022 0.000 2.500 23 S HA -0.109 4.360 4.470 -0.002 0.000 0.239 23 S C 1.281 175.860 174.600 -0.035 0.000 0.989 23 S CA 1.664 59.864 58.200 -0.002 0.000 0.951 23 S CB -0.119 63.071 63.200 -0.017 0.000 0.759 23 S HN 0.443 nan 8.310 nan 0.000 0.523 24 D N 0.189 120.528 120.400 -0.102 0.000 2.363 24 D HA 0.161 4.800 4.640 -0.002 0.000 0.226 24 D C -0.610 175.467 176.300 -0.370 0.000 1.020 24 D CA 0.584 54.423 54.000 -0.268 0.000 0.892 24 D CB 0.003 40.534 40.800 -0.449 0.000 0.900 24 D HN 0.548 nan 8.370 nan 0.000 0.531 25 Y N -0.877 119.390 120.300 -0.056 0.000 2.446 25 Y HA 0.512 5.060 4.550 -0.002 0.000 0.345 25 Y C -0.116 175.763 175.900 -0.034 0.000 0.984 25 Y CA -1.139 56.931 58.100 -0.051 0.000 1.058 25 Y CB 1.752 40.120 38.460 -0.153 0.000 1.220 25 Y HN -0.419 nan 8.280 nan 0.000 0.455 26 V N 4.330 124.342 119.914 0.164 0.000 2.409 26 V HA 0.429 4.548 4.120 -0.002 0.000 0.291 26 V C -0.683 175.477 176.094 0.111 0.000 1.020 26 V CA -0.847 61.511 62.300 0.097 0.000 0.848 26 V CB 1.662 33.524 31.823 0.066 0.000 0.990 26 V HN 0.557 nan 8.190 nan 0.000 0.430 27 V N 5.282 125.236 119.914 0.065 0.000 2.481 27 V HA 0.646 4.764 4.120 -0.002 0.000 0.286 27 V C -0.115 176.011 176.094 0.053 0.000 1.042 27 V CA -0.631 61.704 62.300 0.059 0.000 0.928 27 V CB 1.775 33.600 31.823 0.004 0.000 0.986 27 V HN 0.796 nan 8.190 nan 0.000 0.462 28 K N 2.575 123.018 120.400 0.072 0.000 2.498 28 K HA 0.617 4.936 4.320 -0.002 0.000 0.254 28 K C -0.471 176.170 176.600 0.068 0.000 0.933 28 K CA -0.316 56.007 56.287 0.061 0.000 0.806 28 K CB 2.210 34.749 32.500 0.064 0.000 1.301 28 K HN 0.814 nan 8.250 nan 0.000 0.432 29 S N 0.545 116.279 115.700 0.057 0.000 2.617 29 S HA 0.322 4.791 4.470 -0.002 0.000 0.283 29 S C 0.397 175.035 174.600 0.062 0.000 1.189 29 S CA -0.270 57.968 58.200 0.064 0.000 1.036 29 S CB 1.449 64.682 63.200 0.056 0.000 1.014 29 S HN 0.573 nan 8.310 nan 0.000 0.522 30 S N 0.275 116.017 115.700 0.070 0.000 2.575 30 S HA 0.143 4.611 4.470 -0.002 0.000 0.215 30 S C 0.646 175.285 174.600 0.066 0.000 0.966 30 S CA 0.015 58.255 58.200 0.066 0.000 0.911 30 S CB -0.836 62.406 63.200 0.070 0.000 0.780 30 S HN 1.460 nan 8.310 nan 0.000 0.514 31 V N 0.532 120.486 119.914 0.067 0.000 5.487 31 V HA -0.056 4.063 4.120 -0.002 0.000 0.302 31 V C 1.070 177.210 176.094 0.077 0.000 0.511 31 V CA 0.540 62.877 62.300 0.061 0.000 0.684 31 V CB -2.666 29.182 31.823 0.042 0.000 0.458 31 V HN 1.344 nan 8.190 nan 0.000 1.195 32 G N -0.757 108.117 108.800 0.124 0.000 2.280 32 G HA2 0.087 4.045 3.960 -0.002 0.000 0.277 32 G HA3 0.087 4.045 3.960 -0.002 0.000 0.277 32 G C -0.301 174.788 174.900 0.316 0.000 1.288 32 G CA 0.179 45.394 45.100 0.191 0.000 1.075 32 G HN 0.544 nan 8.290 nan 0.000 0.480 33 H N 0.752 119.837 119.070 0.024 0.000 2.548 33 H HA 0.317 4.872 4.556 -0.002 0.000 0.265 33 H C 2.428 177.742 175.328 -0.024 0.000 0.969 33 H CA 0.614 56.673 56.048 0.018 0.000 1.155 33 H CB 0.031 29.807 29.762 0.023 0.000 1.394 33 H HN 0.594 nan 8.280 nan 0.000 0.570 34 I N -1.270 119.350 120.570 0.084 0.000 4.497 34 I HA -0.420 3.749 4.170 -0.002 0.000 0.059 34 I C 0.931 177.013 176.117 -0.059 0.000 0.607 34 I CA 1.493 62.797 61.300 0.008 0.000 0.958 34 I CB -0.992 37.011 38.000 0.005 0.000 0.864 34 I HN 0.292 nan 8.210 nan 0.000 0.166 35 R N 0.679 121.069 120.500 -0.183 0.000 2.771 35 R HA 0.561 4.900 4.340 -0.002 0.000 0.274 35 R C -1.255 174.751 176.300 -0.490 0.000 0.987 35 R CA -0.271 55.648 56.100 -0.302 0.000 0.908 35 R CB 2.607 32.684 30.300 -0.371 0.000 1.213 35 R HN 0.371 nan 8.270 nan 0.000 0.468 36 D N 1.042 121.356 120.400 -0.143 0.000 2.804 36 D HA 0.182 4.820 4.640 -0.002 0.000 0.309 36 D C -1.187 175.282 176.300 0.281 0.000 1.311 36 D CA -0.582 53.489 54.000 0.118 0.000 0.765 36 D CB 0.785 41.640 40.800 0.092 0.000 1.293 36 D HN 0.335 nan 8.370 nan 0.000 0.434 37 L N 1.038 122.432 121.223 0.285 0.000 2.474 37 L HA 0.385 4.724 4.340 -0.002 0.000 0.259 37 L C -1.356 175.535 176.870 0.035 0.000 1.232 37 L CA -1.100 53.793 54.840 0.090 0.000 0.821 37 L CB -0.179 41.905 42.059 0.042 0.000 1.108 37 L HN 0.439 nan 8.230 nan 0.000 0.495 63 E N 1.242 120.500 120.200 -1.570 0.000 2.369 63 E HA 0.489 4.838 4.350 -0.002 0.000 0.255 63 E C -0.071 176.074 176.600 -0.759 0.000 1.172 63 E CA -0.628 54.768 56.400 -1.673 0.000 0.932 63 E CB 0.915 30.117 29.700 -0.829 0.000 1.040 63 E HN 0.105 nan 8.360 nan 0.000 0.454 64 R N 1.789 121.993 120.500 -0.494 0.000 2.531 64 R HA 0.293 4.632 4.340 -0.002 0.000 0.293 64 R C 0.496 176.750 176.300 -0.077 0.000 1.124 64 R CA 0.223 56.205 56.100 -0.196 0.000 0.945 64 R CB 0.815 31.053 30.300 -0.104 0.000 1.195 64 R HN 0.638 nan 8.270 nan 0.000 0.433 65 G N 2.500 111.272 108.800 -0.047 0.000 2.505 65 G HA2 -0.352 3.607 3.960 -0.002 0.000 0.220 65 G HA3 -0.352 3.607 3.960 -0.002 0.000 0.220 65 G C 1.108 176.034 174.900 0.044 0.000 1.145 65 G CA 0.933 46.038 45.100 0.009 0.000 0.761 65 G HN 0.719 nan 8.290 nan 0.000 0.571 66 A N -0.215 122.632 122.820 0.045 0.000 2.119 66 A HA 0.308 4.626 4.320 -0.002 0.000 0.217 66 A C 2.261 179.914 177.584 0.114 0.000 1.153 66 A CA 0.862 52.942 52.037 0.072 0.000 0.692 66 A CB -0.182 18.855 19.000 0.062 0.000 0.799 66 A HN 0.395 nan 8.150 nan 0.000 0.458 67 L N -0.576 120.725 121.223 0.130 0.000 2.049 67 L HA -0.096 4.243 4.340 -0.002 0.000 0.203 67 L C 2.420 179.406 176.870 0.194 0.000 1.074 67 L CA 1.233 56.195 54.840 0.203 0.000 0.749 67 L CB -0.294 41.907 42.059 0.237 0.000 0.907 67 L HN 0.245 nan 8.230 nan 0.000 0.439 68 V N 0.538 120.553 119.914 0.170 0.000 2.392 68 V HA -0.355 3.764 4.120 -0.002 0.000 0.249 68 V C 2.145 178.281 176.094 0.071 0.000 1.059 68 V CA 2.244 64.614 62.300 0.116 0.000 1.051 68 V CB -0.875 31.027 31.823 0.132 0.000 0.658 68 V HN 0.540 nan 8.190 nan 0.000 0.455 69 N N -0.439 118.316 118.700 0.092 0.000 2.120 69 N HA -0.174 4.565 4.740 -0.002 0.000 0.188 69 N C 2.093 177.660 175.510 0.095 0.000 1.024 69 N CA 1.240 54.345 53.050 0.092 0.000 0.852 69 N CB -0.124 38.417 38.487 0.090 0.000 1.003 69 N HN 0.468 nan 8.380 nan 0.000 0.424 70 R N 0.651 121.237 120.500 0.142 0.000 2.066 70 R HA 0.024 4.363 4.340 -0.002 0.000 0.232 70 R C 2.323 178.719 176.300 0.160 0.000 1.131 70 R CA 1.169 57.407 56.100 0.230 0.000 0.955 70 R CB -0.137 30.378 30.300 0.360 0.000 0.851 70 R HN 0.268 nan 8.270 nan 0.000 0.432 71 M N -1.132 118.461 119.600 -0.011 0.000 2.200 71 M HA 0.032 4.510 4.480 -0.002 0.000 0.265 71 M C 1.475 177.611 176.300 -0.273 0.000 1.066 71 M CA 1.520 56.592 55.300 -0.380 0.000 1.127 71 M CB 0.077 32.491 32.600 -0.311 0.000 1.379 71 M HN 0.544 nan 8.290 nan 0.000 0.420 72 G N 0.586 109.294 108.800 -0.152 0.000 2.176 72 G HA2 -0.212 3.746 3.960 -0.002 0.000 0.253 72 G HA3 -0.212 3.746 3.960 -0.002 0.000 0.253 72 G C 0.012 174.758 174.900 -0.256 0.000 0.979 72 G CA 0.151 45.157 45.100 -0.156 0.000 0.641 72 G HN 0.401 nan 8.290 nan 0.000 0.530 73 V N 0.614 120.342 119.914 -0.310 0.000 2.656 73 V HA 0.688 4.806 4.120 -0.002 0.000 0.307 73 V C -1.420 174.482 176.094 -0.320 0.000 1.051 73 V CA -0.681 61.358 62.300 -0.436 0.000 0.893 73 V CB 2.050 33.444 31.823 -0.714 0.000 0.999 73 V HN 0.203 nan 8.190 nan 0.000 0.426 74 D N 6.780 126.974 120.400 -0.344 0.000 2.472 74 D HA 0.475 5.113 4.640 -0.002 0.000 0.234 74 D C -2.049 173.731 176.300 -0.866 0.000 1.088 74 D CA -1.971 51.822 54.000 -0.346 0.000 0.882 74 D CB 2.336 43.083 40.800 -0.088 0.000 1.037 74 D HN 0.262 nan 8.370 nan 0.000 0.520 75 P HA 0.008 nan 4.420 nan 0.000 0.223 75 P C 1.058 177.298 177.300 -1.766 0.000 1.151 75 P CA 0.664 62.204 63.100 -2.600 0.000 0.787 75 P CB 0.211 29.972 31.700 -3.231 0.000 0.788 76 W N -1.934 118.871 121.300 -0.826 0.000 2.942 76 W HA 0.135 4.794 4.660 -0.002 0.000 0.263 76 W C 0.302 176.308 176.519 -0.856 0.000 1.296 76 W CA 0.464 57.403 57.345 -0.677 0.000 1.504 76 W CB -0.602 28.514 29.460 -0.572 0.000 1.096 76 W HN 0.209 nan 8.180 nan 0.000 0.639 77 H N 0.395 119.361 119.070 -0.174 0.000 2.355 77 H HA 0.164 4.719 4.556 -0.002 0.000 0.232 77 H C 0.292 175.490 175.328 -0.216 0.000 1.422 77 H CA -0.208 55.760 56.048 -0.134 0.000 1.261 77 H CB -0.583 29.142 29.762 -0.062 0.000 1.595 77 H HN -0.031 nan 8.280 nan 0.000 0.529 78 N N 1.385 119.922 118.700 -0.271 0.000 2.716 78 N HA -0.254 4.485 4.740 -0.002 0.000 0.250 78 N C -0.768 174.643 175.510 -0.164 0.000 1.033 78 N CA 0.660 53.578 53.050 -0.221 0.000 0.727 78 N CB -0.431 38.038 38.487 -0.029 0.000 0.950 78 N HN 0.822 nan 8.380 nan 0.000 0.541 79 W N -1.380 119.799 121.300 -0.203 0.000 3.456 79 W HA -0.249 4.410 4.660 -0.002 0.000 0.314 79 W C 0.600 177.076 176.519 -0.072 0.000 1.192 79 W CA 0.847 58.071 57.345 -0.202 0.000 0.654 79 W CB -2.152 27.157 29.460 -0.252 0.000 2.251 79 W HN 0.478 nan 8.180 nan 0.000 1.360 80 E N 1.313 121.522 120.200 0.015 0.000 2.415 80 E HA 0.490 4.838 4.350 -0.002 0.000 0.263 80 E C 0.494 177.099 176.600 0.008 0.000 0.995 80 E CA 0.503 56.952 56.400 0.081 0.000 0.915 80 E CB 1.008 30.738 29.700 0.050 0.000 0.951 80 E HN 0.231 nan 8.360 nan 0.000 0.449 81 A N 3.489 126.350 122.820 0.068 0.000 2.350 81 A HA 0.458 4.777 4.320 -0.002 0.000 0.318 81 A C -1.341 176.214 177.584 -0.049 0.000 1.132 81 A CA -0.809 51.160 52.037 -0.114 0.000 0.811 81 A CB 1.403 20.282 19.000 -0.200 0.000 1.313 81 A HN 0.805 nan 8.150 nan 0.000 0.454 82 H N 0.641 119.545 119.070 -0.277 0.000 2.791 82 H HA 0.517 5.071 4.556 -0.002 0.000 0.272 82 H C -1.839 173.389 175.328 -0.167 0.000 1.188 82 H CA -1.098 54.869 56.048 -0.135 0.000 1.436 82 H CB -0.428 29.296 29.762 -0.063 0.000 1.467 82 H HN 0.477 nan 8.280 nan 0.000 0.500 83 Y N 2.406 122.867 120.300 0.268 0.000 2.304 83 Y HA 0.291 4.840 4.550 -0.002 0.000 0.327 83 Y C 0.891 176.774 175.900 -0.029 0.000 1.209 83 Y CA -0.239 57.936 58.100 0.125 0.000 1.299 83 Y CB 0.959 39.563 38.460 0.240 0.000 1.249 83 Y HN 0.527 nan 8.280 nan 0.000 0.519 84 E N 0.744 120.977 120.200 0.056 0.000 2.343 84 E HA 0.564 4.913 4.350 -0.002 0.000 0.270 84 E C -1.357 175.246 176.600 0.006 0.000 0.895 84 E CA -1.454 54.931 56.400 -0.024 0.000 0.767 84 E CB 2.340 31.957 29.700 -0.138 0.000 1.248 84 E HN 0.404 nan 8.360 nan 0.000 0.440 85 V N 0.800 120.715 119.914 0.002 0.000 2.555 85 V HA 0.273 4.391 4.120 -0.002 0.000 0.286 85 V C 0.128 176.216 176.094 -0.011 0.000 1.044 85 V CA -0.636 61.658 62.300 -0.010 0.000 1.026 85 V CB -0.028 31.793 31.823 -0.002 0.000 0.981 85 V HN 0.622 nan 8.190 nan 0.000 0.480 86 L N 6.954 128.168 121.223 -0.015 0.000 2.503 86 L HA 0.227 4.566 4.340 -0.002 0.000 0.287 86 L C -1.607 175.260 176.870 -0.004 0.000 1.252 86 L CA -1.099 53.735 54.840 -0.010 0.000 0.835 86 L CB -0.153 41.898 42.059 -0.013 0.000 1.099 86 L HN 0.568 nan 8.230 nan 0.000 0.516 87 P HA -0.015 nan 4.420 nan 0.000 0.266 87 P C 0.728 178.029 177.300 0.002 0.000 1.195 87 P CA 0.745 63.846 63.100 0.000 0.000 0.768 87 P CB 0.876 32.576 31.700 0.000 0.000 0.838 88 G N 2.756 111.559 108.800 0.004 0.000 2.245 88 G HA2 -0.272 3.686 3.960 -0.002 0.000 0.264 88 G HA3 -0.272 3.686 3.960 -0.002 0.000 0.264 88 G C 0.997 175.902 174.900 0.008 0.000 0.985 88 G CA 0.156 45.259 45.100 0.006 0.000 0.625 88 G HN 0.515 nan 8.290 nan 0.000 0.536 89 K N 0.402 120.807 120.400 0.007 0.000 2.487 89 K HA 0.201 4.520 4.320 -0.002 0.000 0.192 89 K C 1.848 178.454 176.600 0.010 0.000 1.027 89 K CA 0.901 57.194 56.287 0.010 0.000 1.054 89 K CB 0.223 32.728 32.500 0.008 0.000 0.824 89 K HN 0.496 nan 8.250 nan 0.000 0.510 90 E N 1.814 122.020 120.200 0.010 0.000 2.072 90 E HA -0.100 4.248 4.350 -0.002 0.000 0.191 90 E C 1.413 178.021 176.600 0.012 0.000 0.985 90 E CA 1.405 57.812 56.400 0.011 0.000 0.801 90 E CB 0.151 29.858 29.700 0.012 0.000 0.750 90 E HN 0.175 nan 8.360 nan 0.000 0.452 91 K N -0.388 120.020 120.400 0.012 0.000 2.103 91 K HA -0.126 4.193 4.320 -0.002 0.000 0.207 91 K C 2.070 178.679 176.600 0.015 0.000 1.048 91 K CA 1.361 57.656 56.287 0.013 0.000 0.930 91 K CB -0.157 32.350 32.500 0.012 0.000 0.716 91 K HN 0.034 nan 8.250 nan 0.000 0.444 92 V N 1.106 121.030 119.914 0.017 0.000 2.261 92 V HA -0.248 3.870 4.120 -0.002 0.000 0.246 92 V C 2.307 178.414 176.094 0.021 0.000 1.047 92 V CA 1.656 63.969 62.300 0.021 0.000 1.015 92 V CB -0.465 31.373 31.823 0.024 0.000 0.642 92 V HN 0.080 nan 8.190 nan 0.000 0.446 93 V N 0.157 120.081 119.914 0.017 0.000 2.324 93 V HA -0.292 3.827 4.120 -0.002 0.000 0.250 93 V C 2.539 178.644 176.094 0.017 0.000 1.060 93 V CA 2.424 64.734 62.300 0.016 0.000 1.042 93 V CB -0.963 30.867 31.823 0.011 0.000 0.650 93 V HN 0.565 nan 8.190 nan 0.000 0.450 94 S N -0.692 115.017 115.700 0.016 0.000 2.348 94 S HA -0.261 4.208 4.470 -0.002 0.000 0.221 94 S C 2.015 176.625 174.600 0.017 0.000 1.033 94 S CA 1.759 59.968 58.200 0.015 0.000 1.010 94 S CB -0.353 62.855 63.200 0.013 0.000 0.891 94 S HN 0.746 nan 8.310 nan 0.000 0.442 95 E N 0.932 121.143 120.200 0.018 0.000 2.070 95 E HA -0.169 4.180 4.350 -0.002 0.000 0.197 95 E C 1.993 178.608 176.600 0.024 0.000 1.004 95 E CA 1.073 57.485 56.400 0.020 0.000 0.805 95 E CB -0.163 29.550 29.700 0.021 0.000 0.744 95 E HN 0.416 nan 8.360 nan 0.000 0.451 96 L N 0.252 121.492 121.223 0.029 0.000 2.056 96 L HA -0.156 4.183 4.340 -0.002 0.000 0.207 96 L C 2.674 179.563 176.870 0.031 0.000 1.078 96 L CA 1.151 56.013 54.840 0.036 0.000 0.749 96 L CB -0.345 41.740 42.059 0.043 0.000 0.901 96 L HN 0.078 nan 8.230 nan 0.000 0.433 97 K N 0.140 120.556 120.400 0.026 0.000 2.063 97 K HA -0.249 4.069 4.320 -0.002 0.000 0.208 97 K C 2.178 178.786 176.600 0.014 0.000 1.048 97 K CA 1.951 58.251 56.287 0.022 0.000 0.928 97 K CB -0.122 32.389 32.500 0.019 0.000 0.713 97 K HN 0.480 nan 8.250 nan 0.000 0.442 98 Q N 0.692 120.501 119.800 0.014 0.000 2.119 98 Q HA -0.123 4.216 4.340 -0.002 0.000 0.201 98 Q C 1.997 178.002 176.000 0.009 0.000 0.972 98 Q CA 1.162 56.971 55.803 0.010 0.000 0.847 98 Q CB -0.342 28.402 28.738 0.010 0.000 0.903 98 Q HN 0.254 nan 8.270 nan 0.000 0.433 99 L N 0.794 122.026 121.223 0.014 0.000 2.093 99 L HA -0.074 4.264 4.340 -0.002 0.000 0.208 99 L C 2.664 179.538 176.870 0.008 0.000 1.085 99 L CA 0.806 55.656 54.840 0.016 0.000 0.755 99 L CB -0.646 41.430 42.059 0.028 0.000 0.904 99 L HN 0.387 nan 8.230 nan 0.000 0.435 100 A N 0.777 123.599 122.820 0.002 0.000 2.125 100 A HA -0.207 4.112 4.320 -0.002 0.000 0.219 100 A C 2.056 179.617 177.584 -0.040 0.000 1.156 100 A CA 1.780 53.802 52.037 -0.025 0.000 0.671 100 A CB -0.354 18.634 19.000 -0.019 0.000 0.794 100 A HN 0.673 nan 8.150 nan 0.000 0.459 101 E N -0.009 120.179 120.200 -0.020 0.000 2.166 101 E HA -0.012 4.336 4.350 -0.002 0.000 0.192 101 E C 1.512 178.102 176.600 -0.016 0.000 0.967 101 E CA 0.615 57.002 56.400 -0.020 0.000 0.840 101 E CB -0.283 29.410 29.700 -0.011 0.000 0.795 101 E HN 0.524 nan 8.360 nan 0.000 0.470 102 K N 1.081 121.476 120.400 -0.009 0.000 2.515 102 K HA 0.127 4.445 4.320 -0.002 0.000 0.196 102 K C 0.443 177.039 176.600 -0.006 0.000 1.038 102 K CA 0.607 56.890 56.287 -0.006 0.000 0.967 102 K CB 0.124 32.623 32.500 -0.000 0.000 0.780 102 K HN 0.125 nan 8.250 nan 0.000 0.483 103 A N 1.331 124.145 122.820 -0.010 0.000 2.324 103 A HA 0.205 4.524 4.320 -0.002 0.000 0.330 103 A C -0.028 177.549 177.584 -0.012 0.000 1.165 103 A CA -0.823 51.213 52.037 -0.003 0.000 0.813 103 A CB 0.804 19.809 19.000 0.010 0.000 1.197 103 A HN -0.002 nan 8.150 nan 0.000 0.484 104 D N -0.238 120.168 120.400 0.010 0.000 2.234 104 D HA 0.027 4.665 4.640 -0.002 0.000 0.205 104 D C 0.072 176.401 176.300 0.048 0.000 0.962 104 D CA 1.677 55.686 54.000 0.015 0.000 0.855 104 D CB 0.135 40.944 40.800 0.015 0.000 0.951 104 D HN 0.694 nan 8.370 nan 0.000 0.500 105 H N -1.211 117.805 119.070 -0.090 0.000 2.996 105 H HA 0.470 5.025 4.556 -0.002 0.000 0.368 105 H C -1.436 173.758 175.328 -0.224 0.000 1.185 105 H CA -0.620 55.305 56.048 -0.205 0.000 1.160 105 H CB 1.463 31.094 29.762 -0.219 0.000 1.820 105 H HN -0.268 nan 8.280 nan 0.000 0.547 106 I N 4.128 124.224 120.570 -0.790 0.000 2.406 106 I HA 0.221 4.389 4.170 -0.002 0.000 0.290 106 I C -1.008 174.811 176.117 -0.495 0.000 0.999 106 I CA -0.744 60.268 61.300 -0.479 0.000 1.124 106 I CB 1.302 38.994 38.000 -0.514 0.000 1.289 106 I HN 0.503 nan 8.210 nan 0.000 0.441 107 Y N 6.153 126.500 120.300 0.079 0.000 2.369 107 Y HA 0.417 4.966 4.550 -0.002 0.000 0.337 107 Y C -0.039 175.939 175.900 0.131 0.000 0.961 107 Y CA -0.657 57.527 58.100 0.141 0.000 1.186 107 Y CB 0.992 39.638 38.460 0.311 0.000 1.139 107 Y HN 0.358 nan 8.280 nan 0.000 0.494 108 L N 4.128 125.463 121.223 0.187 0.000 2.385 108 L HA 0.320 4.659 4.340 -0.002 0.000 0.285 108 L C 0.765 177.703 176.870 0.113 0.000 1.125 108 L CA -0.298 54.622 54.840 0.133 0.000 0.890 108 L CB 0.413 42.513 42.059 0.069 0.000 1.251 108 L HN 0.781 nan 8.230 nan 0.000 0.445 109 A N 2.233 125.157 122.820 0.173 0.000 2.988 109 A HA 0.281 4.599 4.320 -0.002 0.000 0.288 109 A C 0.905 178.564 177.584 0.126 0.000 1.385 109 A CA -0.455 51.718 52.037 0.228 0.000 1.001 109 A CB -0.635 18.610 19.000 0.409 0.000 1.071 109 A HN 0.650 nan 8.150 nan 0.000 0.608 110 T N -2.219 112.327 114.554 -0.013 0.000 2.816 110 T HA 0.341 4.690 4.350 -0.002 0.000 0.282 110 T C -0.167 174.391 174.700 -0.235 0.000 0.993 110 T CA -0.685 61.374 62.100 -0.068 0.000 0.994 110 T CB 0.549 69.373 68.868 -0.074 0.000 1.025 110 T HN 0.274 nan 8.240 nan 0.000 0.529 111 D N 0.728 121.007 120.400 -0.201 0.000 2.419 111 D HA 0.085 4.723 4.640 -0.002 0.000 0.236 111 D C 1.517 177.536 176.300 -0.468 0.000 1.165 111 D CA -0.342 53.425 54.000 -0.389 0.000 0.882 111 D CB 0.563 41.228 40.800 -0.226 0.000 1.201 111 D HN 0.623 nan 8.370 nan 0.000 0.443 112 L N -0.005 120.803 121.223 -0.692 0.000 2.362 112 L HA 0.006 4.345 4.340 -0.002 0.000 0.219 112 L C 0.714 177.446 176.870 -0.229 0.000 1.134 112 L CA 0.782 55.354 54.840 -0.447 0.000 0.807 112 L CB -0.832 40.979 42.059 -0.414 0.000 0.927 112 L HN 0.214 nan 8.230 nan 0.000 0.447 113 D N -0.094 120.204 120.400 -0.171 0.000 2.384 113 D HA -0.002 4.637 4.640 -0.002 0.000 0.244 113 D C 1.068 177.314 176.300 -0.090 0.000 1.251 113 D CA -0.338 53.633 54.000 -0.048 0.000 0.961 113 D CB 0.498 41.331 40.800 0.055 0.000 1.116 113 D HN 0.140 nan 8.370 nan 0.000 0.484 114 R N -0.404 120.041 120.500 -0.093 0.000 2.170 114 R HA -0.178 4.161 4.340 -0.002 0.000 0.242 114 R C 1.999 178.216 176.300 -0.138 0.000 1.145 114 R CA 1.594 57.617 56.100 -0.130 0.000 0.984 114 R CB -0.250 29.964 30.300 -0.143 0.000 0.869 114 R HN 0.694 nan 8.270 nan 0.000 0.455 115 E N 0.186 120.323 120.200 -0.104 0.000 2.107 115 E HA -0.100 4.249 4.350 -0.002 0.000 0.191 115 E C 2.064 178.594 176.600 -0.116 0.000 0.982 115 E CA 1.008 57.352 56.400 -0.092 0.000 0.809 115 E CB -0.080 29.589 29.700 -0.052 0.000 0.756 115 E HN 0.397 nan 8.360 nan 0.000 0.459 116 G N 0.660 109.390 108.800 -0.117 0.000 2.408 116 G HA2 -0.294 3.664 3.960 -0.002 0.000 0.217 116 G HA3 -0.294 3.664 3.960 -0.002 0.000 0.217 116 G C 1.485 176.310 174.900 -0.125 0.000 1.150 116 G CA 0.852 45.871 45.100 -0.134 0.000 0.776 116 G HN 0.255 nan 8.290 nan 0.000 0.542 117 E N 0.782 120.903 120.200 -0.133 0.000 2.051 117 E HA -0.004 4.344 4.350 -0.002 0.000 0.192 117 E C 2.739 179.270 176.600 -0.114 0.000 0.991 117 E CA 1.427 57.749 56.400 -0.130 0.000 0.799 117 E CB -0.446 29.160 29.700 -0.158 0.000 0.748 117 E HN 0.298 nan 8.360 nan 0.000 0.449 118 A N 0.239 122.973 122.820 -0.143 0.000 1.930 118 A HA -0.120 4.199 4.320 -0.002 0.000 0.217 118 A C 2.296 179.878 177.584 -0.004 0.000 1.175 118 A CA 1.293 53.243 52.037 -0.144 0.000 0.627 118 A CB -0.626 18.262 19.000 -0.187 0.000 0.815 118 A HN 0.330 nan 8.150 nan 0.000 0.443 119 I N -0.245 120.323 120.570 -0.004 0.000 2.226 119 I HA -0.292 3.877 4.170 -0.002 0.000 0.245 119 I C 2.964 179.103 176.117 0.037 0.000 1.100 119 I CA 1.063 62.386 61.300 0.038 0.000 1.374 119 I CB -0.316 37.610 38.000 -0.122 0.000 1.057 119 I HN 0.367 nan 8.210 nan 0.000 0.413 120 A N 0.017 122.831 122.820 -0.010 0.000 1.933 120 A HA -0.277 4.041 4.320 -0.002 0.000 0.218 120 A C 2.092 179.654 177.584 -0.037 0.000 1.175 120 A CA 1.526 53.550 52.037 -0.021 0.000 0.628 120 A CB -1.164 17.815 19.000 -0.036 0.000 0.814 120 A HN 0.682 nan 8.150 nan 0.000 0.444 121 W N 0.245 121.400 121.300 -0.240 0.000 2.358 121 W HA -0.204 4.454 4.660 -0.002 0.000 0.303 121 W C 2.061 178.398 176.519 -0.304 0.000 1.208 121 W CA 2.104 59.259 57.345 -0.317 0.000 1.274 121 W CB -0.517 28.704 29.460 -0.399 0.000 1.138 121 W HN 0.581 nan 8.180 nan 0.000 0.515 122 H N -0.506 118.473 119.070 -0.151 0.000 2.353 122 H HA -0.158 4.396 4.556 -0.002 0.000 0.300 122 H C 2.294 177.443 175.328 -0.298 0.000 1.090 122 H CA 2.207 58.060 56.048 -0.324 0.000 1.327 122 H CB -0.375 29.311 29.762 -0.127 0.000 1.383 122 H HN 0.120 nan 8.280 nan 0.000 0.508 123 L N 0.081 121.267 121.223 -0.060 0.000 2.017 123 L HA -0.203 4.136 4.340 -0.002 0.000 0.208 123 L C 2.673 179.434 176.870 -0.182 0.000 1.073 123 L CA 1.471 56.268 54.840 -0.071 0.000 0.745 123 L CB -0.279 41.774 42.059 -0.010 0.000 0.894 123 L HN 0.226 nan 8.230 nan 0.000 0.432 124 R N -0.003 120.277 120.500 -0.367 0.000 2.073 124 R HA -0.188 4.150 4.340 -0.002 0.000 0.234 124 R C 2.221 178.206 176.300 -0.526 0.000 1.134 124 R CA 1.487 57.168 56.100 -0.699 0.000 0.952 124 R CB -0.158 29.573 30.300 -0.949 0.000 0.850 124 R HN 0.199 nan 8.270 nan 0.000 0.433 125 E N 0.281 120.126 120.200 -0.592 0.000 2.058 125 E HA -0.164 4.185 4.350 -0.002 0.000 0.194 125 E C 2.098 178.527 176.600 -0.286 0.000 0.997 125 E CA 1.615 57.691 56.400 -0.539 0.000 0.801 125 E CB -0.360 28.822 29.700 -0.864 0.000 0.746 125 E HN 0.285 nan 8.360 nan 0.000 0.450 126 V N 1.448 121.230 119.914 -0.221 0.000 2.307 126 V HA -0.210 3.909 4.120 -0.002 0.000 0.245 126 V C 2.468 178.528 176.094 -0.055 0.000 1.045 126 V CA 1.397 63.635 62.300 -0.105 0.000 1.024 126 V CB -0.450 31.333 31.823 -0.067 0.000 0.651 126 V HN 0.194 nan 8.190 nan 0.000 0.449 127 I N -0.191 120.358 120.570 -0.036 0.000 2.286 127 I HA 0.029 4.198 4.170 -0.002 0.000 0.248 127 I C 1.587 177.735 176.117 0.051 0.000 1.115 127 I CA 1.169 62.494 61.300 0.041 0.000 1.392 127 I CB -0.892 37.191 38.000 0.138 0.000 1.065 127 I HN 0.547 nan 8.210 nan 0.000 0.418 128 G N 0.223 109.035 108.800 0.020 0.000 2.593 128 G HA2 0.118 4.076 3.960 -0.002 0.000 0.237 128 G HA3 0.118 4.076 3.960 -0.002 0.000 0.237 128 G C 0.233 175.212 174.900 0.133 0.000 1.312 128 G CA -0.391 44.726 45.100 0.027 0.000 0.896 128 G HN 1.217 nan 8.290 nan 0.000 0.574 129 G N -1.545 107.308 108.800 0.088 0.000 2.685 129 G HA2 0.329 4.288 3.960 -0.002 0.000 0.387 129 G HA3 0.329 4.288 3.960 -0.002 0.000 0.387 129 G C -0.544 174.426 174.900 0.118 0.000 1.324 129 G CA 0.489 45.646 45.100 0.094 0.000 0.878 129 G HN 1.570 nan 8.290 nan 0.000 0.527 130 D N 0.651 121.100 120.400 0.081 0.000 2.312 130 D HA 0.277 4.916 4.640 -0.002 0.000 0.252 130 D C 0.820 177.211 176.300 0.151 0.000 1.150 130 D CA -0.275 53.774 54.000 0.081 0.000 0.870 130 D CB 1.253 42.077 40.800 0.039 0.000 1.153 130 D HN 0.345 nan 8.370 nan 0.000 0.457 131 D N 2.358 122.845 120.400 0.145 0.000 2.133 131 D HA -0.218 4.421 4.640 -0.002 0.000 0.192 131 D C 2.045 178.463 176.300 0.196 0.000 1.001 131 D CA 1.654 55.764 54.000 0.183 0.000 0.844 131 D CB -0.281 40.565 40.800 0.078 0.000 0.944 131 D HN 0.578 nan 8.370 nan 0.000 0.447 132 A N 1.087 123.974 122.820 0.112 0.000 2.054 132 A HA -0.257 4.061 4.320 -0.002 0.000 0.223 132 A C 1.969 179.624 177.584 0.118 0.000 1.169 132 A CA 1.449 53.547 52.037 0.101 0.000 0.655 132 A CB -0.472 18.567 19.000 0.064 0.000 0.812 132 A HN 0.179 nan 8.150 nan 0.000 0.462 133 R N -1.821 118.675 120.500 -0.006 0.000 2.316 133 R HA 0.028 4.366 4.340 -0.002 0.000 0.202 133 R C -0.575 175.199 176.300 -0.877 0.000 1.029 133 R CA 0.335 56.264 56.100 -0.286 0.000 1.018 133 R CB -0.294 29.750 30.300 -0.427 0.000 0.888 133 R HN 0.636 nan 8.270 nan 0.000 0.471 134 Y N -0.582 119.486 120.300 -0.386 0.000 2.446 134 Y HA 0.317 4.866 4.550 -0.002 0.000 0.338 134 Y C 0.432 176.159 175.900 -0.288 0.000 1.055 134 Y CA -0.522 57.308 58.100 -0.449 0.000 1.101 134 Y CB 2.094 40.423 38.460 -0.218 0.000 1.221 134 Y HN -0.266 nan 8.280 nan 0.000 0.460 135 S N 2.080 117.700 115.700 -0.134 0.000 2.570 135 S HA 0.548 5.017 4.470 -0.002 0.000 0.286 135 S C -1.373 173.247 174.600 0.033 0.000 1.099 135 S CA -0.915 57.295 58.200 0.017 0.000 0.913 135 S CB 1.725 64.963 63.200 0.062 0.000 1.085 135 S HN 0.502 nan 8.310 nan 0.000 0.480 136 R N 2.762 123.279 120.500 0.028 0.000 2.371 136 R HA 0.420 4.758 4.340 -0.002 0.000 0.312 136 R C -0.996 175.283 176.300 -0.035 0.000 0.980 136 R CA -0.479 55.619 56.100 -0.004 0.000 0.867 136 R CB 0.448 30.729 30.300 -0.033 0.000 1.163 136 R HN 0.612 nan 8.270 nan 0.000 0.492 137 V N 2.282 122.163 119.914 -0.056 0.000 2.546 137 V HA 0.575 4.693 4.120 -0.002 0.000 0.284 137 V C -0.082 175.938 176.094 -0.123 0.000 1.050 137 V CA -0.590 61.633 62.300 -0.128 0.000 0.981 137 V CB 1.592 33.168 31.823 -0.413 0.000 0.990 137 V HN 0.278 nan 8.190 nan 0.000 0.474 138 V N 6.270 126.124 119.914 -0.100 0.000 2.628 138 V HA 0.819 4.937 4.120 -0.002 0.000 0.306 138 V C -0.389 175.691 176.094 -0.024 0.000 1.045 138 V CA -0.380 61.786 62.300 -0.222 0.000 0.905 138 V CB 1.270 32.993 31.823 -0.166 0.000 0.997 138 V HN 1.077 nan 8.190 nan 0.000 0.436 139 F N 1.165 121.082 119.950 -0.055 0.000 2.688 139 F HA 0.519 5.045 4.527 -0.003 0.000 0.308 139 F C -0.160 175.655 175.800 0.026 0.000 1.117 139 F CA -1.228 56.769 58.000 -0.005 0.000 0.976 139 F CB 1.233 40.251 39.000 0.030 0.000 1.291 139 F HN 0.414 nan 8.300 nan 0.000 0.439 140 N N -0.419 118.441 118.700 0.267 0.000 2.235 140 N HA 0.235 4.974 4.740 -0.002 0.000 0.209 140 N C -1.043 174.720 175.510 0.421 0.000 1.122 140 N CA -0.018 53.187 53.050 0.258 0.000 0.845 140 N CB 0.278 38.876 38.487 0.186 0.000 1.004 140 N HN 0.871 nan 8.380 nan 0.000 0.499 141 E N -0.528 119.949 120.200 0.461 0.000 2.389 141 E HA 0.254 4.603 4.350 -0.002 0.000 0.281 141 E C -1.530 175.160 176.600 0.150 0.000 1.072 141 E CA -0.860 55.744 56.400 0.339 0.000 0.845 141 E CB 0.597 30.419 29.700 0.205 0.000 1.239 141 E HN 0.012 nan 8.360 nan 0.000 0.434 142 I N 2.363 122.930 120.570 -0.004 0.000 2.361 142 I HA 0.315 4.484 4.170 -0.002 0.000 0.282 142 I C -0.371 175.678 176.117 -0.114 0.000 1.075 142 I CA -0.188 61.033 61.300 -0.131 0.000 1.205 142 I CB 0.742 38.656 38.000 -0.145 0.000 1.406 142 I HN 0.662 nan 8.210 nan 0.000 0.481 143 T N 0.066 114.402 114.554 -0.364 0.000 2.883 143 T HA 0.343 4.691 4.350 -0.002 0.000 0.296 143 T C 0.712 174.658 174.700 -1.256 0.000 1.117 143 T CA -0.933 60.732 62.100 -0.725 0.000 1.006 143 T CB 2.517 71.204 68.868 -0.302 0.000 1.191 143 T HN 0.417 nan 8.240 nan 0.000 0.508 144 K N 0.604 120.058 120.400 -1.577 0.000 2.034 144 K HA -0.243 4.076 4.320 -0.002 0.000 0.214 144 K C 1.799 178.155 176.600 -0.407 0.000 1.051 144 K CA 2.379 58.126 56.287 -0.899 0.000 0.931 144 K CB -0.357 31.936 32.500 -0.345 0.000 0.715 144 K HN 0.593 nan 8.250 nan 0.000 0.446 145 N N -0.265 118.262 118.700 -0.289 0.000 2.142 145 N HA -0.088 4.650 4.740 -0.002 0.000 0.186 145 N C 1.504 176.948 175.510 -0.110 0.000 1.023 145 N CA 1.371 54.334 53.050 -0.146 0.000 0.852 145 N CB -0.173 38.262 38.487 -0.088 0.000 0.998 145 N HN 0.310 nan 8.380 nan 0.000 0.424 146 A N 0.452 123.193 122.820 -0.131 0.000 1.930 146 A HA -0.068 4.251 4.320 -0.002 0.000 0.217 146 A C 1.901 179.452 177.584 -0.055 0.000 1.175 146 A CA 0.906 52.911 52.037 -0.053 0.000 0.627 146 A CB -0.412 18.574 19.000 -0.024 0.000 0.815 146 A HN 0.132 nan 8.150 nan 0.000 0.443 147 I N -0.225 120.246 120.570 -0.164 0.000 2.202 147 I HA -0.148 4.020 4.170 -0.002 0.000 0.242 147 I C 2.479 178.619 176.117 0.039 0.000 1.091 147 I CA 1.496 62.726 61.300 -0.116 0.000 1.368 147 I CB -1.172 36.682 38.000 -0.243 0.000 1.058 147 I HN 0.449 nan 8.210 nan 0.000 0.410 148 R N 0.912 121.383 120.500 -0.049 0.000 2.127 148 R HA -0.204 4.135 4.340 -0.002 0.000 0.238 148 R C 2.066 178.407 176.300 0.067 0.000 1.134 148 R CA 1.516 57.613 56.100 -0.004 0.000 0.975 148 R CB 0.020 30.301 30.300 -0.032 0.000 0.865 148 R HN 0.500 nan 8.270 nan 0.000 0.447 149 Q N -0.697 119.135 119.800 0.055 0.000 2.212 149 Q HA 0.040 4.378 4.340 -0.002 0.000 0.199 149 Q C 2.092 178.144 176.000 0.087 0.000 0.950 149 Q CA 1.002 56.843 55.803 0.064 0.000 0.863 149 Q CB 0.109 28.870 28.738 0.039 0.000 0.944 149 Q HN 0.385 nan 8.270 nan 0.000 0.465 150 A N 0.404 123.295 122.820 0.119 0.000 1.930 150 A HA -0.118 4.200 4.320 -0.002 0.000 0.217 150 A C 1.526 179.081 177.584 -0.048 0.000 1.175 150 A CA 1.077 53.159 52.037 0.075 0.000 0.627 150 A CB -0.447 18.655 19.000 0.171 0.000 0.815 150 A HN 0.297 nan 8.150 nan 0.000 0.443 151 F N -0.355 119.594 119.950 -0.003 0.000 2.664 151 F HA 0.064 4.590 4.527 -0.002 0.000 0.296 151 F C 2.025 177.855 175.800 0.051 0.000 1.125 151 F CA 0.805 58.796 58.000 -0.015 0.000 1.444 151 F CB -0.278 38.606 39.000 -0.193 0.000 1.114 151 F HN 0.377 nan 8.300 nan 0.000 0.576 152 N N 0.531 119.348 118.700 0.194 0.000 2.173 152 N HA -0.110 4.629 4.740 -0.002 0.000 0.184 152 N C 0.365 175.941 175.510 0.110 0.000 1.025 152 N CA 1.148 54.281 53.050 0.139 0.000 0.852 152 N CB 0.057 38.601 38.487 0.095 0.000 0.998 152 N HN -0.227 nan 8.380 nan 0.000 0.427 153 K N 1.388 121.838 120.400 0.082 0.000 2.385 153 K HA 0.334 4.652 4.320 -0.002 0.000 0.229 153 K C -2.562 174.062 176.600 0.041 0.000 1.089 153 K CA -1.564 54.756 56.287 0.054 0.000 1.060 153 K CB 1.429 33.949 32.500 0.034 0.000 1.698 153 K HN 0.338 nan 8.250 nan 0.000 0.469 154 P HA 0.244 nan 4.420 nan 0.000 0.303 154 P C 0.102 177.439 177.300 0.062 0.000 1.370 154 P CA -0.295 62.845 63.100 0.066 0.000 0.854 154 P CB 1.722 33.551 31.700 0.216 0.000 0.946 155 G N 2.936 111.749 108.800 0.022 0.000 2.531 155 G HA2 0.388 4.347 3.960 -0.002 0.000 0.281 155 G HA3 0.388 4.347 3.960 -0.002 0.000 0.281 155 G C -0.441 174.470 174.900 0.019 0.000 1.382 155 G CA -0.437 44.672 45.100 0.015 0.000 1.045 155 G HN 0.385 nan 8.290 nan 0.000 0.533 156 E N -0.845 119.358 120.200 0.006 0.000 2.250 156 E HA 0.286 4.635 4.350 -0.002 0.000 0.265 156 E C -0.619 175.970 176.600 -0.019 0.000 1.033 156 E CA -1.011 55.392 56.400 0.006 0.000 0.888 156 E CB 2.010 31.713 29.700 0.005 0.000 1.151 156 E HN 0.219 nan 8.360 nan 0.000 0.412 157 L N 2.507 123.719 121.223 -0.019 0.000 2.477 157 L HA 0.042 4.380 4.340 -0.002 0.000 0.272 157 L C 0.168 177.005 176.870 -0.056 0.000 1.157 157 L CA 0.164 54.981 54.840 -0.039 0.000 0.889 157 L CB -0.116 41.926 42.059 -0.028 0.000 1.158 157 L HN 0.292 nan 8.230 nan 0.000 0.473 158 N N 4.789 123.440 118.700 -0.082 0.000 2.415 158 N HA -0.034 4.705 4.740 -0.002 0.000 0.250 158 N C 0.989 176.408 175.510 -0.151 0.000 1.127 158 N CA -0.080 52.910 53.050 -0.100 0.000 0.945 158 N CB 0.446 38.873 38.487 -0.099 0.000 1.196 158 N HN 0.718 nan 8.380 nan 0.000 0.499 159 I N 3.088 123.567 120.570 -0.151 0.000 2.454 159 I HA -0.197 3.972 4.170 -0.002 0.000 0.254 159 I C 1.292 177.225 176.117 -0.307 0.000 1.156 159 I CA 1.272 62.428 61.300 -0.240 0.000 1.433 159 I CB -0.006 37.894 38.000 -0.166 0.000 1.082 159 I HN 0.478 nan 8.210 nan 0.000 0.432 160 D N 0.216 120.497 120.400 -0.197 0.000 2.144 160 D HA -0.142 4.497 4.640 -0.002 0.000 0.200 160 D C 2.287 178.435 176.300 -0.252 0.000 0.978 160 D CA 1.047 54.934 54.000 -0.187 0.000 0.833 160 D CB -0.185 40.583 40.800 -0.052 0.000 0.961 160 D HN 0.414 nan 8.370 nan 0.000 0.470 161 R N 0.426 120.790 120.500 -0.226 0.000 2.115 161 R HA -0.008 4.331 4.340 -0.002 0.000 0.226 161 R C 2.410 178.515 176.300 -0.326 0.000 1.100 161 R CA 0.347 56.311 56.100 -0.227 0.000 0.980 161 R CB -0.172 30.027 30.300 -0.168 0.000 0.875 161 R HN 0.058 nan 8.270 nan 0.000 0.445 162 V N 1.891 121.554 119.914 -0.418 0.000 2.307 162 V HA -0.232 3.886 4.120 -0.002 0.000 0.245 162 V C 1.631 177.254 176.094 -0.784 0.000 1.045 162 V CA 1.738 63.677 62.300 -0.601 0.000 1.024 162 V CB -0.502 30.843 31.823 -0.796 0.000 0.651 162 V HN 0.307 nan 8.190 nan 0.000 0.449 163 N N 0.718 118.906 118.700 -0.852 0.000 2.149 163 N HA -0.126 4.613 4.740 -0.002 0.000 0.188 163 N C 1.810 176.892 175.510 -0.713 0.000 1.019 163 N CA 1.669 54.035 53.050 -1.141 0.000 0.857 163 N CB -0.530 37.344 38.487 -1.022 0.000 0.997 163 N HN 0.502 nan 8.380 nan 0.000 0.426 164 A N 0.432 122.980 122.820 -0.454 0.000 1.929 164 A HA -0.145 4.173 4.320 -0.002 0.000 0.216 164 A C 2.211 179.610 177.584 -0.309 0.000 1.176 164 A CA 1.442 53.299 52.037 -0.300 0.000 0.628 164 A CB -0.484 18.385 19.000 -0.218 0.000 0.816 164 A HN 0.272 nan 8.150 nan 0.000 0.444 165 Q N -0.602 118.986 119.800 -0.353 0.000 2.123 165 Q HA -0.138 4.201 4.340 -0.002 0.000 0.199 165 Q C 2.022 177.814 176.000 -0.346 0.000 0.966 165 Q CA 1.757 57.382 55.803 -0.297 0.000 0.845 165 Q CB -0.252 28.327 28.738 -0.265 0.000 0.907 165 Q HN 0.551 nan 8.270 nan 0.000 0.439 166 Q N -0.313 119.160 119.800 -0.545 0.000 2.172 166 Q HA 0.057 4.395 4.340 -0.002 0.000 0.200 166 Q C 1.978 177.544 176.000 -0.723 0.000 0.964 166 Q CA 1.350 56.714 55.803 -0.731 0.000 0.855 166 Q CB -0.577 27.512 28.738 -1.081 0.000 0.918 166 Q HN 0.491 nan 8.270 nan 0.000 0.444 167 A N 1.448 124.009 122.820 -0.431 0.000 1.858 167 A HA -0.227 4.092 4.320 -0.002 0.000 0.216 167 A C 2.210 179.632 177.584 -0.270 0.000 1.190 167 A CA 1.755 53.640 52.037 -0.254 0.000 0.617 167 A CB -0.601 18.313 19.000 -0.143 0.000 0.827 167 A HN 0.306 nan 8.150 nan 0.000 0.443 168 R N 0.388 120.742 120.500 -0.244 0.000 2.083 168 R HA -0.217 4.121 4.340 -0.002 0.000 0.237 168 R C 2.399 178.614 176.300 -0.142 0.000 1.137 168 R CA 1.997 57.975 56.100 -0.204 0.000 0.951 168 R CB -0.334 29.865 30.300 -0.169 0.000 0.851 168 R HN 0.709 nan 8.270 nan 0.000 0.434 169 R N -1.144 119.303 120.500 -0.088 0.000 2.189 169 R HA -0.048 4.291 4.340 -0.002 0.000 0.218 169 R C 1.685 178.124 176.300 0.232 0.000 1.074 169 R CA 0.876 57.011 56.100 0.060 0.000 0.991 169 R CB -0.332 30.037 30.300 0.116 0.000 0.883 169 R HN 0.154 nan 8.270 nan 0.000 0.457 170 F N 2.541 122.439 119.950 -0.086 0.000 2.187 170 F HA 0.063 4.589 4.527 -0.002 0.000 0.295 170 F C 2.480 178.181 175.800 -0.164 0.000 1.091 170 F CA 0.611 58.566 58.000 -0.075 0.000 1.308 170 F CB -0.632 38.322 39.000 -0.077 0.000 1.030 170 F HN 0.024 nan 8.300 nan 0.000 0.487 171 M N -1.398 118.105 119.600 -0.162 0.000 2.254 171 M HA -0.079 4.400 4.480 -0.002 0.000 0.265 171 M C 1.304 177.440 176.300 -0.273 0.000 1.066 171 M CA 1.750 56.755 55.300 -0.491 0.000 1.123 171 M CB -0.749 31.116 32.600 -1.224 0.000 1.388 171 M HN -0.159 nan 8.290 nan 0.000 0.425 172 D N 1.007 121.315 120.400 -0.154 0.000 2.117 172 D HA -0.079 4.559 4.640 -0.002 0.000 0.198 172 D C 2.269 178.567 176.300 -0.004 0.000 0.982 172 D CA 0.960 54.918 54.000 -0.070 0.000 0.828 172 D CB -0.272 40.510 40.800 -0.031 0.000 0.967 172 D HN 0.267 nan 8.370 nan 0.000 0.464 173 R N 0.654 121.153 120.500 -0.001 0.000 2.080 173 R HA -0.095 4.243 4.340 -0.002 0.000 0.236 173 R C 2.382 178.676 176.300 -0.010 0.000 1.137 173 R CA 0.535 56.597 56.100 -0.063 0.000 0.943 173 R CB -1.012 29.197 30.300 -0.152 0.000 0.846 173 R HN 0.143 nan 8.270 nan 0.000 0.431 174 V N 0.471 120.398 119.914 0.022 0.000 2.287 174 V HA -0.236 3.883 4.120 -0.002 0.000 0.248 174 V C 2.543 178.636 176.094 -0.003 0.000 1.053 174 V CA 1.784 64.131 62.300 0.079 0.000 1.027 174 V CB -0.411 31.540 31.823 0.213 0.000 0.646 174 V HN 0.082 nan 8.190 nan 0.000 0.447 175 V N 0.450 120.311 119.914 -0.089 0.000 2.358 175 V HA -0.125 3.993 4.120 -0.002 0.000 0.246 175 V C 2.592 178.695 176.094 0.014 0.000 1.047 175 V CA 2.051 64.256 62.300 -0.159 0.000 1.035 175 V CB -1.287 30.458 31.823 -0.129 0.000 0.658 175 V HN 0.612 nan 8.190 nan 0.000 0.452 176 G N -1.320 107.541 108.800 0.101 0.000 2.421 176 G HA2 -0.269 3.689 3.960 -0.002 0.000 0.216 176 G HA3 -0.269 3.689 3.960 -0.002 0.000 0.216 176 G C 1.446 176.482 174.900 0.226 0.000 1.171 176 G CA 0.987 46.193 45.100 0.177 0.000 0.775 176 G HN 0.502 nan 8.290 nan 0.000 0.543 177 Y N -0.013 120.315 120.300 0.046 0.000 2.337 177 Y HA 0.239 4.788 4.550 -0.002 0.000 0.293 177 Y C 2.881 178.825 175.900 0.073 0.000 1.123 177 Y CA 0.684 58.828 58.100 0.074 0.000 1.201 177 Y CB -0.056 38.469 38.460 0.107 0.000 1.011 177 Y HN 0.125 nan 8.280 nan 0.000 0.545 178 M N -1.941 117.830 119.600 0.285 0.000 2.486 178 M HA -0.030 4.449 4.480 -0.002 0.000 0.264 178 M C 1.628 178.057 176.300 0.214 0.000 1.125 178 M CA 0.527 56.014 55.300 0.311 0.000 1.144 178 M CB 0.124 33.057 32.600 0.556 0.000 1.353 178 M HN -0.022 nan 8.290 nan 0.000 0.466 179 V N -0.910 119.086 119.914 0.137 0.000 2.599 179 V HA -0.077 4.041 4.120 -0.002 0.000 0.245 179 V C 2.206 178.177 176.094 -0.206 0.000 1.046 179 V CA 1.303 63.596 62.300 -0.011 0.000 1.065 179 V CB -0.205 31.526 31.823 -0.153 0.000 0.703 179 V HN 0.348 nan 8.190 nan 0.000 0.464 180 S N 0.586 116.099 115.700 -0.313 0.000 2.374 180 S HA -0.161 4.307 4.470 -0.002 0.000 0.227 180 S C -0.153 173.639 174.600 -1.347 0.000 1.037 180 S CA 2.111 59.910 58.200 -0.669 0.000 1.024 180 S CB -1.270 61.614 63.200 -0.527 0.000 0.861 180 S HN 0.452 nan 8.310 nan 0.000 0.456 181 P HA -0.070 nan 4.420 nan 0.000 0.215 181 P C 1.618 178.703 177.300 -0.358 0.000 1.153 181 P CA 0.678 63.269 63.100 -0.849 0.000 0.853 181 P CB -0.044 31.477 31.700 -0.299 0.000 0.788 182 L N -0.953 120.129 121.223 -0.235 0.000 2.079 182 L HA -0.147 4.191 4.340 -0.002 0.000 0.210 182 L C 2.034 178.858 176.870 -0.077 0.000 1.081 182 L CA 1.801 56.594 54.840 -0.077 0.000 0.752 182 L CB -1.193 40.874 42.059 0.015 0.000 0.896 182 L HN -0.088 nan 8.230 nan 0.000 0.433 183 L N -2.797 118.312 121.223 -0.190 0.000 2.179 183 L HA -0.149 4.189 4.340 -0.002 0.000 0.208 183 L C 2.348 179.250 176.870 0.052 0.000 1.096 183 L CA 0.551 55.348 54.840 -0.072 0.000 0.779 183 L CB -0.849 41.168 42.059 -0.069 0.000 0.922 183 L HN 0.364 nan 8.230 nan 0.000 0.443 184 W N 1.109 122.440 121.300 0.052 0.000 2.381 184 W HA -0.116 4.542 4.660 -0.002 0.000 0.301 184 W C 2.589 179.128 176.519 0.035 0.000 1.205 184 W CA 0.680 58.047 57.345 0.037 0.000 1.285 184 W CB -0.724 28.752 29.460 0.025 0.000 1.133 184 W HN 0.161 nan 8.180 nan 0.000 0.521 185 K N 0.568 121.108 120.400 0.234 0.000 2.001 185 K HA -0.156 4.162 4.320 -0.002 0.000 0.208 185 K C 2.072 178.734 176.600 0.104 0.000 1.048 185 K CA 1.327 57.702 56.287 0.147 0.000 0.932 185 K CB -0.056 32.503 32.500 0.100 0.000 0.715 185 K HN -0.161 nan 8.250 nan 0.000 0.437 186 K N 0.066 120.517 120.400 0.084 0.000 2.098 186 K HA 0.014 4.332 4.320 -0.002 0.000 0.203 186 K C 2.159 178.807 176.600 0.079 0.000 1.051 186 K CA 1.087 57.415 56.287 0.068 0.000 0.957 186 K CB 0.139 32.672 32.500 0.055 0.000 0.738 186 K HN 0.257 nan 8.250 nan 0.000 0.447 187 I N -0.488 120.142 120.570 0.099 0.000 3.136 187 I HA 0.104 4.272 4.170 -0.002 0.000 0.262 187 I C 0.271 176.461 176.117 0.122 0.000 1.132 187 I CA -0.029 61.334 61.300 0.105 0.000 1.450 187 I CB 0.651 38.716 38.000 0.110 0.000 1.315 187 I HN -0.071 nan 8.210 nan 0.000 0.460 188 A N 0.343 123.265 122.820 0.171 0.000 2.586 188 A HA 0.583 4.901 4.320 -0.002 0.000 0.298 188 A C -1.226 176.511 177.584 0.254 0.000 1.013 188 A CA -0.745 51.390 52.037 0.163 0.000 0.707 188 A CB 0.712 19.787 19.000 0.124 0.000 1.276 188 A HN -0.012 nan 8.150 nan 0.000 0.414 189 R N 0.271 120.853 120.500 0.136 0.000 2.594 189 R HA 0.559 4.897 4.340 -0.002 0.000 0.272 189 R C 1.502 177.781 176.300 -0.035 0.000 1.074 189 R CA 1.267 57.361 56.100 -0.011 0.000 1.105 189 R CB 0.565 30.771 30.300 -0.156 0.000 1.008 189 R HN 2.362 nan 8.270 nan 0.000 0.472 190 G N 0.997 109.645 108.800 -0.253 0.000 2.176 190 G HA2 -0.269 3.689 3.960 -0.002 0.000 0.253 190 G HA3 -0.269 3.689 3.960 -0.002 0.000 0.253 190 G C -0.007 175.041 174.900 0.246 0.000 0.979 190 G CA -0.033 45.045 45.100 -0.036 0.000 0.641 190 G HN 0.399 nan 8.290 nan 0.000 0.530 191 L N 1.333 122.834 121.223 0.463 0.000 2.439 191 L HA 0.537 4.876 4.340 -0.002 0.000 0.269 191 L C 0.439 177.514 176.870 0.342 0.000 1.179 191 L CA -0.012 55.019 54.840 0.319 0.000 0.828 191 L CB 1.296 43.525 42.059 0.283 0.000 1.106 191 L HN 0.168 nan 8.230 nan 0.000 0.467 192 S N 1.207 117.043 115.700 0.225 0.000 2.532 192 S HA 0.710 5.179 4.470 -0.002 0.000 0.299 192 S C -0.361 174.369 174.600 0.216 0.000 1.105 192 S CA -0.698 57.615 58.200 0.189 0.000 1.018 192 S CB 1.943 65.236 63.200 0.155 0.000 1.021 192 S HN 0.691 nan 8.310 nan 0.000 0.483 193 A N 1.907 124.783 122.820 0.093 0.000 2.306 193 A HA 0.898 5.217 4.320 -0.002 0.000 0.330 193 A C 0.253 177.868 177.584 0.052 0.000 1.146 193 A CA -0.684 51.378 52.037 0.042 0.000 0.827 193 A CB 0.857 19.812 19.000 -0.074 0.000 1.178 193 A HN 0.970 nan 8.150 nan 0.000 0.490 194 G N 0.086 108.903 108.800 0.029 0.000 2.687 194 G HA2 0.454 4.412 3.960 -0.002 0.000 0.301 194 G HA3 0.454 4.412 3.960 -0.002 0.000 0.301 194 G C 0.441 175.334 174.900 -0.013 0.000 1.416 194 G CA -0.468 44.651 45.100 0.031 0.000 1.005 194 G HN 0.874 nan 8.290 nan 0.000 0.509 195 R N 1.535 122.021 120.500 -0.024 0.000 2.094 195 R HA -0.110 4.228 4.340 -0.002 0.000 0.239 195 R C 1.677 177.967 176.300 -0.016 0.000 1.137 195 R CA 2.173 58.253 56.100 -0.033 0.000 0.943 195 R CB -0.097 30.165 30.300 -0.063 0.000 0.850 195 R HN 0.395 nan 8.270 nan 0.000 0.433 196 V N 0.215 120.120 119.914 -0.015 0.000 2.825 196 V HA -0.058 4.060 4.120 -0.002 0.000 0.246 196 V C 2.022 178.120 176.094 0.005 0.000 1.068 196 V CA 0.942 63.241 62.300 -0.001 0.000 1.088 196 V CB -0.032 31.782 31.823 -0.014 0.000 0.733 196 V HN 0.286 nan 8.190 nan 0.000 0.468 197 Q N 0.684 120.491 119.800 0.011 0.000 2.112 197 Q HA -0.190 4.149 4.340 -0.002 0.000 0.206 197 Q C 2.461 178.458 176.000 -0.005 0.000 0.987 197 Q CA 2.290 58.109 55.803 0.028 0.000 0.858 197 Q CB -0.544 28.237 28.738 0.072 0.000 0.905 197 Q HN 0.557 nan 8.270 nan 0.000 0.420 198 S N -0.389 115.286 115.700 -0.041 0.000 2.399 198 S HA -0.111 4.357 4.470 -0.002 0.000 0.231 198 S C 1.973 176.539 174.600 -0.055 0.000 1.022 198 S CA 1.131 59.267 58.200 -0.106 0.000 0.983 198 S CB -0.199 62.930 63.200 -0.118 0.000 0.803 198 S HN 0.168 nan 8.310 nan 0.000 0.480 199 V N 1.802 121.716 119.914 -0.001 0.000 2.379 199 V HA -0.133 3.986 4.120 -0.002 0.000 0.245 199 V C 2.627 178.771 176.094 0.083 0.000 1.044 199 V CA 1.554 63.896 62.300 0.070 0.000 1.036 199 V CB -1.202 30.690 31.823 0.115 0.000 0.664 199 V HN 0.527 nan 8.190 nan 0.000 0.453 200 A N 0.053 122.879 122.820 0.011 0.000 1.877 200 A HA -0.159 4.160 4.320 -0.002 0.000 0.216 200 A C 2.408 179.950 177.584 -0.070 0.000 1.186 200 A CA 2.058 54.059 52.037 -0.060 0.000 0.620 200 A CB -0.783 18.174 19.000 -0.071 0.000 0.822 200 A HN 0.309 nan 8.150 nan 0.000 0.443 201 V N 0.388 120.282 119.914 -0.034 0.000 2.282 201 V HA -0.321 3.798 4.120 -0.002 0.000 0.249 201 V C 2.667 178.760 176.094 -0.002 0.000 1.057 201 V CA 2.445 64.731 62.300 -0.022 0.000 1.032 201 V CB -0.873 30.883 31.823 -0.111 0.000 0.645 201 V HN 0.699 nan 8.190 nan 0.000 0.447 202 R N -0.326 120.181 120.500 0.011 0.000 2.139 202 R HA -0.173 4.166 4.340 -0.002 0.000 0.243 202 R C 2.186 178.576 176.300 0.149 0.000 1.145 202 R CA 1.597 57.736 56.100 0.065 0.000 0.976 202 R CB -0.264 30.068 30.300 0.053 0.000 0.866 202 R HN 0.490 nan 8.270 nan 0.000 0.449 203 L N -0.182 121.107 121.223 0.111 0.000 2.109 203 L HA -0.112 4.227 4.340 -0.002 0.000 0.207 203 L C 2.321 179.275 176.870 0.140 0.000 1.086 203 L CA 0.661 55.552 54.840 0.086 0.000 0.760 203 L CB -0.156 41.784 42.059 -0.199 0.000 0.910 203 L HN 0.037 nan 8.230 nan 0.000 0.437 204 V N -1.142 118.790 119.914 0.030 0.000 2.427 204 V HA -0.194 3.925 4.120 -0.002 0.000 0.248 204 V C 2.361 178.565 176.094 0.184 0.000 1.051 204 V CA 1.172 63.563 62.300 0.152 0.000 1.048 204 V CB -0.226 31.653 31.823 0.093 0.000 0.666 204 V HN 0.190 nan 8.190 nan 0.000 0.456 205 V N 0.086 120.080 119.914 0.133 0.000 2.358 205 V HA -0.224 3.894 4.120 -0.002 0.000 0.246 205 V C 2.465 178.629 176.094 0.116 0.000 1.047 205 V CA 1.900 64.270 62.300 0.116 0.000 1.035 205 V CB -0.614 31.258 31.823 0.081 0.000 0.658 205 V HN 0.609 nan 8.190 nan 0.000 0.452 206 E N 0.024 120.305 120.200 0.135 0.000 2.085 206 E HA -0.290 4.059 4.350 -0.002 0.000 0.194 206 E C 2.385 179.048 176.600 0.104 0.000 0.994 206 E CA 1.421 57.897 56.400 0.127 0.000 0.801 206 E CB -0.212 29.588 29.700 0.168 0.000 0.743 206 E HN 0.335 nan 8.360 nan 0.000 0.453 207 R N 1.669 122.247 120.500 0.130 0.000 2.080 207 R HA -0.196 4.143 4.340 -0.002 0.000 0.236 207 R C 2.046 178.360 176.300 0.024 0.000 1.137 207 R CA 1.933 58.056 56.100 0.038 0.000 0.943 207 R CB -0.514 29.803 30.300 0.029 0.000 0.846 207 R HN 0.016 nan 8.270 nan 0.000 0.431 208 E N 0.072 120.311 120.200 0.066 0.000 2.086 208 E HA -0.210 4.139 4.350 -0.002 0.000 0.200 208 E C 2.022 178.658 176.600 0.060 0.000 1.012 208 E CA 1.928 58.365 56.400 0.062 0.000 0.812 208 E CB -0.095 29.664 29.700 0.099 0.000 0.743 208 E HN 0.323 nan 8.360 nan 0.000 0.453 209 R N -0.147 120.393 120.500 0.066 0.000 2.115 209 R HA -0.049 4.289 4.340 -0.002 0.000 0.230 209 R C 2.348 178.685 176.300 0.062 0.000 1.111 209 R CA 1.416 57.555 56.100 0.065 0.000 0.976 209 R CB -0.083 30.256 30.300 0.065 0.000 0.870 209 R HN 0.275 nan 8.270 nan 0.000 0.445 210 E N 0.321 120.550 120.200 0.047 0.000 2.028 210 E HA -0.174 4.174 4.350 -0.002 0.000 0.191 210 E C 1.921 178.553 176.600 0.053 0.000 0.988 210 E CA 1.226 57.651 56.400 0.042 0.000 0.799 210 E CB -0.069 29.624 29.700 -0.012 0.000 0.755 210 E HN 0.279 nan 8.360 nan 0.000 0.447 211 I N 0.980 121.556 120.570 0.010 0.000 2.163 211 I HA -0.294 3.874 4.170 -0.002 0.000 0.243 211 I C 2.491 178.659 176.117 0.086 0.000 1.085 211 I CA 1.096 62.404 61.300 0.014 0.000 1.347 211 I CB -0.172 37.813 38.000 -0.025 0.000 1.044 211 I HN 0.001 nan 8.210 nan 0.000 0.408 212 K N 1.348 121.794 120.400 0.076 0.000 2.020 212 K HA -0.156 4.162 4.320 -0.002 0.000 0.212 212 K C 1.903 178.559 176.600 0.093 0.000 1.050 212 K CA 1.832 58.167 56.287 0.081 0.000 0.929 212 K CB -0.294 32.248 32.500 0.071 0.000 0.714 212 K HN 0.314 nan 8.250 nan 0.000 0.443 213 A N -0.401 122.480 122.820 0.102 0.000 2.235 213 A HA 0.067 4.385 4.320 -0.002 0.000 0.208 213 A C 0.327 177.995 177.584 0.140 0.000 1.172 213 A CA -0.177 51.920 52.037 0.100 0.000 0.786 213 A CB -0.580 18.470 19.000 0.084 0.000 0.804 213 A HN 0.325 nan 8.150 nan 0.000 0.479 214 F N 0.229 120.182 119.950 0.006 0.000 2.443 214 F HA 0.429 4.954 4.527 -0.003 0.000 0.353 214 F C -0.088 175.714 175.800 0.004 0.000 1.101 214 F CA -0.319 57.684 58.000 0.005 0.000 1.226 214 F CB 1.145 40.147 39.000 0.003 0.000 1.140 214 F HN -0.166 nan 8.300 nan 0.000 0.557 215 V N 7.941 127.451 119.914 -0.673 0.000 2.325 215 V HA 0.277 4.396 4.120 -0.002 0.000 0.280 215 V C -2.090 173.559 176.094 -0.743 0.000 1.016 215 V CA -1.781 60.230 62.300 -0.482 0.000 0.818 215 V CB 0.947 32.606 31.823 -0.273 0.000 1.019 215 V HN 0.664 nan 8.190 nan 0.000 0.434 216 P HA 0.123 nan 4.420 nan 0.000 0.265 216 P C -0.298 176.947 177.300 -0.091 0.000 1.187 216 P CA 0.188 63.169 63.100 -0.198 0.000 0.766 216 P CB 0.594 32.323 31.700 0.047 0.000 0.820 217 E N 1.202 121.425 120.200 0.038 0.000 2.175 217 E HA 0.172 4.520 4.350 -0.002 0.000 0.278 217 E C -0.281 176.478 176.600 0.264 0.000 0.969 217 E CA -0.714 55.750 56.400 0.106 0.000 0.796 217 E CB 1.363 31.116 29.700 0.088 0.000 1.104 217 E HN 0.448 nan 8.360 nan 0.000 0.395 218 E N 3.537 123.862 120.200 0.209 0.000 2.331 218 E HA 0.331 4.680 4.350 -0.002 0.000 0.272 218 E C -1.202 175.588 176.600 0.316 0.000 1.036 218 E CA -0.337 56.178 56.400 0.192 0.000 0.864 218 E CB 0.523 30.313 29.700 0.151 0.000 1.035 218 E HN 0.376 nan 8.360 nan 0.000 0.408 219 F N 1.327 121.301 119.950 0.041 0.000 2.703 219 F HA 0.572 5.097 4.527 -0.002 0.000 0.308 219 F C -2.144 173.657 175.800 0.002 0.000 1.126 219 F CA -1.169 56.892 58.000 0.101 0.000 0.959 219 F CB 0.632 39.668 39.000 0.061 0.000 1.297 219 F HN 0.296 nan 8.300 nan 0.000 0.441 220 W N 1.064 122.406 121.300 0.070 0.000 2.736 220 W HA 0.758 5.417 4.660 -0.003 0.000 0.355 220 W C -1.060 175.531 176.519 0.119 0.000 1.102 220 W CA -0.540 56.789 57.345 -0.026 0.000 1.164 220 W CB 1.861 31.284 29.460 -0.060 0.000 1.422 220 W HN 0.560 nan 8.180 nan 0.000 0.572 221 E N 0.639 121.077 120.200 0.397 0.000 2.293 221 E HA 0.594 4.942 4.350 -0.002 0.000 0.270 221 E C -1.565 175.274 176.600 0.397 0.000 0.879 221 E CA -0.962 55.682 56.400 0.407 0.000 0.756 221 E CB 2.770 32.720 29.700 0.417 0.000 1.208 221 E HN 0.067 nan 8.360 nan 0.000 0.428 222 V N 2.567 122.763 119.914 0.470 0.000 2.540 222 V HA 0.362 4.481 4.120 -0.002 0.000 0.302 222 V C -0.821 175.392 176.094 0.199 0.000 1.035 222 V CA -0.859 61.629 62.300 0.313 0.000 0.873 222 V CB 1.923 33.916 31.823 0.284 0.000 0.992 222 V HN 0.637 nan 8.190 nan 0.000 0.428 223 D N 2.725 123.201 120.400 0.127 0.000 2.342 223 D HA 0.806 5.444 4.640 -0.002 0.000 0.243 223 D C -0.326 175.995 176.300 0.034 0.000 1.019 223 D CA -0.136 53.913 54.000 0.082 0.000 0.864 223 D CB 2.353 43.197 40.800 0.074 0.000 1.315 223 D HN 0.769 nan 8.370 nan 0.000 0.468 224 A N 0.797 123.624 122.820 0.011 0.000 2.371 224 A HA 0.617 4.935 4.320 -0.002 0.000 0.311 224 A C -0.455 177.086 177.584 -0.072 0.000 1.068 224 A CA -0.626 51.384 52.037 -0.045 0.000 0.744 224 A CB 1.171 20.139 19.000 -0.055 0.000 1.239 224 A HN 0.319 nan 8.150 nan 0.000 0.435 225 S N 1.137 116.779 115.700 -0.097 0.000 2.480 225 S HA 0.735 5.203 4.470 -0.002 0.000 0.286 225 S C 0.395 174.901 174.600 -0.157 0.000 1.180 225 S CA -0.025 58.121 58.200 -0.091 0.000 1.075 225 S CB 1.083 64.244 63.200 -0.065 0.000 0.996 225 S HN 1.097 nan 8.310 nan 0.000 0.487 226 T N -0.185 114.284 114.554 -0.142 0.000 2.831 226 T HA 0.744 5.093 4.350 -0.002 0.000 0.287 226 T C -0.562 174.077 174.700 -0.102 0.000 1.070 226 T CA -0.734 61.258 62.100 -0.179 0.000 1.010 226 T CB 1.839 70.576 68.868 -0.219 0.000 1.264 226 T HN 0.366 nan 8.240 nan 0.000 0.532 227 T N 1.410 115.910 114.554 -0.091 0.000 2.916 227 T HA 0.666 5.014 4.350 -0.002 0.000 0.298 227 T C -0.014 174.665 174.700 -0.034 0.000 1.031 227 T CA -0.471 61.598 62.100 -0.052 0.000 0.993 227 T CB 1.438 70.277 68.868 -0.048 0.000 1.045 227 T HN 1.118 nan 8.240 nan 0.000 0.454 228 T N 2.432 116.975 114.554 -0.019 0.000 2.788 228 T HA 0.340 4.689 4.350 -0.002 0.000 0.287 228 T C -1.757 172.941 174.700 -0.003 0.000 1.007 228 T CA -1.398 60.698 62.100 -0.006 0.000 1.005 228 T CB 0.447 69.314 68.868 -0.001 0.000 1.012 228 T HN 0.220 nan 8.240 nan 0.000 0.530 229 P HA -0.092 nan 4.420 nan 0.000 0.218 229 P C 1.665 178.966 177.300 0.001 0.000 1.148 229 P CA 1.165 64.267 63.100 0.004 0.000 0.822 229 P CB -0.129 31.576 31.700 0.007 0.000 0.784 230 S N -2.427 113.273 115.700 0.001 0.000 2.522 230 S HA 0.198 4.666 4.470 -0.002 0.000 0.227 230 S C 1.752 176.350 174.600 -0.003 0.000 0.986 230 S CA 0.662 58.862 58.200 0.000 0.000 0.929 230 S CB -0.996 62.205 63.200 0.002 0.000 0.769 230 S HN 0.293 nan 8.310 nan 0.000 0.529 231 G N 0.745 109.541 108.800 -0.006 0.000 2.176 231 G HA2 -0.224 3.734 3.960 -0.002 0.000 0.232 231 G HA3 -0.224 3.734 3.960 -0.002 0.000 0.232 231 G C -0.257 174.636 174.900 -0.010 0.000 0.986 231 G CA -0.084 45.011 45.100 -0.009 0.000 0.643 231 G HN 0.577 nan 8.290 nan 0.000 0.522 232 E N 0.753 120.949 120.200 -0.008 0.000 2.373 232 E HA 0.518 4.866 4.350 -0.002 0.000 0.267 232 E C 0.792 177.384 176.600 -0.013 0.000 1.032 232 E CA 0.164 56.559 56.400 -0.007 0.000 0.889 232 E CB 0.949 30.648 29.700 -0.003 0.000 0.984 232 E HN 0.660 nan 8.360 nan 0.000 0.425 233 A N 2.915 125.727 122.820 -0.013 0.000 2.401 233 A HA 0.387 4.706 4.320 -0.002 0.000 0.259 233 A C -0.792 176.782 177.584 -0.016 0.000 1.103 233 A CA -0.302 51.723 52.037 -0.020 0.000 0.789 233 A CB 0.269 19.259 19.000 -0.017 0.000 1.035 233 A HN 0.363 nan 8.150 nan 0.000 0.491 234 L N 2.374 123.583 121.223 -0.025 0.000 2.482 234 L HA 0.687 5.025 4.340 -0.002 0.000 0.269 234 L C -0.068 176.789 176.870 -0.022 0.000 0.967 234 L CA -0.113 54.718 54.840 -0.016 0.000 0.851 234 L CB 1.361 43.413 42.059 -0.011 0.000 1.242 234 L HN 0.877 nan 8.230 nan 0.000 0.404 235 A N 5.896 128.711 122.820 -0.008 0.000 2.309 235 A HA 0.850 5.169 4.320 -0.002 0.000 0.298 235 A C -0.988 176.604 177.584 0.014 0.000 1.165 235 A CA -0.372 51.663 52.037 -0.003 0.000 0.821 235 A CB 0.478 19.481 19.000 0.005 0.000 1.102 235 A HN 0.744 nan 8.150 nan 0.000 0.500 236 L N 0.693 121.928 121.223 0.021 0.000 2.350 236 L HA 0.652 4.991 4.340 -0.002 0.000 0.260 236 L C -0.340 176.569 176.870 0.065 0.000 1.015 236 L CA -0.821 54.049 54.840 0.049 0.000 0.821 236 L CB 2.243 44.343 42.059 0.067 0.000 1.370 236 L HN 0.821 nan 8.230 nan 0.000 0.416 237 Q N 0.812 120.663 119.800 0.085 0.000 2.330 237 Q HA 0.519 4.857 4.340 -0.002 0.000 0.269 237 Q C -1.479 174.596 176.000 0.126 0.000 1.022 237 Q CA -0.577 55.293 55.803 0.112 0.000 0.796 237 Q CB 2.186 30.992 28.738 0.113 0.000 1.271 237 Q HN 0.403 nan 8.270 nan 0.000 0.450 238 V N 4.025 124.018 119.914 0.132 0.000 2.572 238 V HA 0.159 4.278 4.120 -0.002 0.000 0.291 238 V C 1.073 177.295 176.094 0.213 0.000 1.039 238 V CA 0.984 63.336 62.300 0.087 0.000 1.055 238 V CB 0.854 32.560 31.823 -0.194 0.000 0.969 238 V HN 1.112 nan 8.190 nan 0.000 0.482 239 T N 0.419 115.096 114.554 0.206 0.000 2.964 239 T HA 0.264 4.613 4.350 -0.002 0.000 0.249 239 T C 0.341 175.014 174.700 -0.045 0.000 1.000 239 T CA 0.101 62.306 62.100 0.175 0.000 0.992 239 T CB 0.168 69.209 68.868 0.288 0.000 1.087 239 T HN 0.657 nan 8.240 nan 0.000 0.489 240 H N 0.176 119.341 119.070 0.160 0.000 3.012 240 H HA 0.742 5.296 4.556 -0.002 0.000 0.367 240 H C -1.271 174.048 175.328 -0.016 0.000 1.211 240 H CA -0.713 55.399 56.048 0.106 0.000 1.139 240 H CB 1.993 31.777 29.762 0.036 0.000 1.838 240 H HN 0.253 nan 8.280 nan 0.000 0.550 241 Q N 1.309 121.099 119.800 -0.017 0.000 2.289 241 Q HA 0.303 4.641 4.340 -0.002 0.000 0.270 241 Q C -0.939 174.922 176.000 -0.233 0.000 1.038 241 Q CA -0.691 54.835 55.803 -0.461 0.000 0.812 241 Q CB 0.982 29.427 28.738 -0.488 0.000 1.300 241 Q HN 0.858 nan 8.270 nan 0.000 0.427 242 N N 3.451 121.980 118.700 -0.286 0.000 2.725 242 N HA -0.211 4.528 4.740 -0.002 0.000 0.249 242 N C -1.171 174.307 175.510 -0.052 0.000 1.103 242 N CA 1.046 54.010 53.050 -0.144 0.000 0.707 242 N CB -0.635 37.780 38.487 -0.119 0.000 1.043 242 N HN 0.860 nan 8.380 nan 0.000 0.553 243 D N -2.933 117.456 120.400 -0.017 0.000 3.076 243 D HA -0.182 4.457 4.640 -0.002 0.000 0.218 243 D C -0.295 176.097 176.300 0.154 0.000 1.156 243 D CA 1.314 55.336 54.000 0.036 0.000 0.921 243 D CB -0.479 40.313 40.800 -0.015 0.000 1.113 243 D HN 0.449 nan 8.370 nan 0.000 0.418 244 K N -0.517 119.988 120.400 0.175 0.000 2.385 244 K HA 0.523 4.841 4.320 -0.002 0.000 0.248 244 K C -2.637 174.003 176.600 0.066 0.000 0.955 244 K CA -1.942 54.428 56.287 0.139 0.000 0.816 244 K CB 1.455 33.986 32.500 0.052 0.000 1.250 244 K HN -0.219 nan 8.250 nan 0.000 0.434 245 P HA -0.051 nan 4.420 nan 0.000 0.263 245 P C -0.558 176.724 177.300 -0.030 0.000 1.175 245 P CA 0.111 63.069 63.100 -0.237 0.000 0.761 245 P CB 0.122 31.743 31.700 -0.132 0.000 0.794 246 F N 5.211 125.069 119.950 -0.153 0.000 2.421 246 F HA 0.371 4.896 4.527 -0.002 0.000 0.358 246 F C 0.580 176.416 175.800 0.060 0.000 1.115 246 F CA -0.220 57.785 58.000 0.008 0.000 1.160 246 F CB 0.173 39.237 39.000 0.108 0.000 1.123 246 F HN 0.172 nan 8.300 nan 0.000 0.508 247 R N 7.095 127.358 120.500 -0.395 0.000 3.107 247 R HA 0.308 4.647 4.340 -0.002 0.000 0.251 247 R C -3.010 173.139 176.300 -0.252 0.000 1.818 247 R CA -1.491 54.401 56.100 -0.347 0.000 1.228 247 R CB 0.943 31.171 30.300 -0.120 0.000 1.459 247 R HN 0.390 nan 8.270 nan 0.000 0.520 248 P HA 0.037 nan 4.420 nan 0.000 0.275 248 P C 0.562 177.931 177.300 0.115 0.000 1.227 248 P CA -0.450 62.571 63.100 -0.132 0.000 0.781 248 P CB 1.281 32.858 31.700 -0.206 0.000 0.906 249 V N -0.728 119.257 119.914 0.118 0.000 3.621 249 V HA 0.245 4.364 4.120 -0.002 0.000 0.285 249 V C 0.337 176.610 176.094 0.300 0.000 1.346 249 V CA 0.238 62.679 62.300 0.234 0.000 1.104 249 V CB -1.196 30.710 31.823 0.137 0.000 0.913 249 V HN 0.662 nan 8.190 nan 0.000 0.432 250 N N -0.805 117.973 118.700 0.129 0.000 3.039 250 N HA 0.296 5.034 4.740 -0.002 0.000 0.257 250 N C -0.065 175.142 175.510 -0.506 0.000 1.497 250 N CA -0.731 52.371 53.050 0.086 0.000 0.861 250 N CB 1.587 40.102 38.487 0.047 0.000 1.479 250 N HN -0.121 nan 8.380 nan 0.000 0.547 251 K N 0.224 120.373 120.400 -0.417 0.000 2.097 251 K HA -0.113 4.205 4.320 -0.002 0.000 0.205 251 K C 1.055 177.374 176.600 -0.469 0.000 1.050 251 K CA 1.819 57.666 56.287 -0.733 0.000 0.938 251 K CB -0.070 32.233 32.500 -0.328 0.000 0.718 251 K HN 0.472 nan 8.250 nan 0.000 0.442 252 E N 1.084 121.134 120.200 -0.250 0.000 2.106 252 E HA -0.156 4.193 4.350 -0.002 0.000 0.192 252 E C 1.952 178.466 176.600 -0.144 0.000 0.984 252 E CA 1.059 57.365 56.400 -0.158 0.000 0.806 252 E CB -0.062 29.588 29.700 -0.083 0.000 0.750 252 E HN 0.284 nan 8.360 nan 0.000 0.458 253 Q N -0.012 119.695 119.800 -0.156 0.000 2.079 253 Q HA -0.095 4.244 4.340 -0.002 0.000 0.200 253 Q C 2.050 178.000 176.000 -0.082 0.000 0.974 253 Q CA 1.699 57.451 55.803 -0.086 0.000 0.840 253 Q CB -0.139 28.556 28.738 -0.072 0.000 0.898 253 Q HN 0.261 nan 8.270 nan 0.000 0.430 254 T N 0.878 115.279 114.554 -0.255 0.000 2.746 254 T HA -0.200 4.148 4.350 -0.002 0.000 0.267 254 T C 1.722 176.346 174.700 -0.128 0.000 1.039 254 T CA 1.197 63.156 62.100 -0.235 0.000 1.142 254 T CB -0.141 68.312 68.868 -0.691 0.000 0.866 254 T HN 0.264 nan 8.240 nan 0.000 0.444 255 Q N 0.751 120.442 119.800 -0.182 0.000 2.119 255 Q HA -0.049 4.289 4.340 -0.002 0.000 0.201 255 Q C 2.539 178.520 176.000 -0.032 0.000 0.972 255 Q CA 1.531 57.271 55.803 -0.104 0.000 0.847 255 Q CB -0.345 28.324 28.738 -0.116 0.000 0.903 255 Q HN 0.523 nan 8.270 nan 0.000 0.433 256 A N 1.013 123.827 122.820 -0.010 0.000 1.883 256 A HA -0.147 4.172 4.320 -0.002 0.000 0.217 256 A C 2.327 179.967 177.584 0.093 0.000 1.186 256 A CA 2.174 54.233 52.037 0.038 0.000 0.624 256 A CB -0.950 18.078 19.000 0.046 0.000 0.822 256 A HN 0.513 nan 8.150 nan 0.000 0.444 257 A N -0.835 122.081 122.820 0.159 0.000 1.930 257 A HA 0.043 4.361 4.320 -0.002 0.000 0.217 257 A C 2.207 179.783 177.584 -0.014 0.000 1.175 257 A CA 1.668 53.852 52.037 0.246 0.000 0.627 257 A CB -0.831 18.466 19.000 0.494 0.000 0.815 257 A HN 0.393 nan 8.150 nan 0.000 0.443 258 V N -0.026 119.883 119.914 -0.008 0.000 2.407 258 V HA -0.207 3.912 4.120 -0.002 0.000 0.248 258 V C 2.759 178.823 176.094 -0.050 0.000 1.055 258 V CA 2.247 64.514 62.300 -0.055 0.000 1.049 258 V CB -0.660 31.147 31.823 -0.027 0.000 0.662 258 V HN 0.570 nan 8.190 nan 0.000 0.455 259 S N 0.037 115.727 115.700 -0.016 0.000 2.368 259 S HA -0.099 4.370 4.470 -0.002 0.000 0.225 259 S C 1.886 176.487 174.600 0.001 0.000 1.030 259 S CA 1.438 59.636 58.200 -0.004 0.000 0.999 259 S CB -0.285 62.920 63.200 0.010 0.000 0.844 259 S HN 0.461 nan 8.310 nan 0.000 0.459 260 L N 0.895 122.129 121.223 0.017 0.000 2.044 260 L HA -0.025 4.313 4.340 -0.002 0.000 0.205 260 L C 2.251 179.098 176.870 -0.039 0.000 1.075 260 L CA 0.971 55.838 54.840 0.046 0.000 0.747 260 L CB -0.558 41.621 42.059 0.199 0.000 0.903 260 L HN 0.263 nan 8.230 nan 0.000 0.435 261 L N -0.367 120.728 121.223 -0.214 0.000 2.127 261 L HA -0.232 4.106 4.340 -0.002 0.000 0.211 261 L C 2.484 179.339 176.870 -0.024 0.000 1.089 261 L CA 1.201 55.871 54.840 -0.283 0.000 0.757 261 L CB -0.438 41.344 42.059 -0.461 0.000 0.899 261 L HN 0.318 nan 8.230 nan 0.000 0.434 262 E N 0.042 120.230 120.200 -0.021 0.000 2.110 262 E HA -0.225 4.123 4.350 -0.002 0.000 0.193 262 E C 1.974 178.604 176.600 0.049 0.000 0.988 262 E CA 1.143 57.556 56.400 0.022 0.000 0.804 262 E CB 0.128 29.828 29.700 -0.000 0.000 0.745 262 E HN 0.443 nan 8.360 nan 0.000 0.458 263 K N 0.081 120.501 120.400 0.033 0.000 2.356 263 K HA 0.166 4.485 4.320 -0.002 0.000 0.195 263 K C 0.563 177.187 176.600 0.039 0.000 1.037 263 K CA 0.080 56.388 56.287 0.036 0.000 1.014 263 K CB 0.588 33.102 32.500 0.024 0.000 0.815 263 K HN -0.021 nan 8.250 nan 0.000 0.507 264 A N 1.673 124.502 122.820 0.016 0.000 2.448 264 A HA 0.153 4.471 4.320 -0.002 0.000 0.239 264 A C -0.099 177.474 177.584 -0.019 0.000 1.080 264 A CA -0.018 51.982 52.037 -0.061 0.000 0.779 264 A CB 0.320 19.183 19.000 -0.229 0.000 1.026 264 A HN 0.072 nan 8.150 nan 0.000 0.499 265 R N 0.293 120.755 120.500 -0.064 0.000 2.255 265 R HA 0.324 4.663 4.340 -0.002 0.000 0.326 265 R C -1.676 174.591 176.300 -0.054 0.000 0.986 265 R CA -0.081 56.035 56.100 0.027 0.000 0.847 265 R CB 0.749 31.059 30.300 0.017 0.000 1.111 265 R HN 0.662 nan 8.270 nan 0.000 0.452 266 Y N 0.750 121.048 120.300 -0.003 0.000 2.327 266 Y HA 0.244 4.792 4.550 -0.002 0.000 0.336 266 Y C 0.879 176.780 175.900 0.002 0.000 1.035 266 Y CA -0.121 57.978 58.100 -0.002 0.000 1.165 266 Y CB 1.409 39.863 38.460 -0.010 0.000 1.181 266 Y HN 0.513 nan 8.280 nan 0.000 0.494 267 S N 0.725 116.489 115.700 0.106 0.000 2.546 267 S HA 0.652 5.120 4.470 -0.002 0.000 0.274 267 S C -1.352 173.284 174.600 0.059 0.000 1.121 267 S CA -1.057 57.185 58.200 0.070 0.000 0.887 267 S CB 1.179 64.399 63.200 0.034 0.000 1.094 267 S HN 0.285 nan 8.310 nan 0.000 0.474 268 V N 3.691 123.634 119.914 0.049 0.000 2.439 268 V HA 0.171 4.290 4.120 -0.002 0.000 0.271 268 V C 1.008 177.116 176.094 0.024 0.000 1.040 268 V CA -0.108 62.216 62.300 0.040 0.000 1.002 268 V CB 0.215 32.058 31.823 0.033 0.000 1.000 268 V HN 0.919 nan 8.190 nan 0.000 0.477 269 L N 3.539 124.773 121.223 0.018 0.000 2.307 269 L HA 0.263 4.602 4.340 -0.002 0.000 0.211 269 L C 0.948 177.821 176.870 0.004 0.000 1.099 269 L CA 0.809 55.652 54.840 0.006 0.000 0.816 269 L CB 0.176 42.233 42.059 -0.004 0.000 0.952 269 L HN 0.834 nan 8.230 nan 0.000 0.455 270 E N -0.264 119.942 120.200 0.009 0.000 2.400 270 E HA 0.245 4.593 4.350 -0.002 0.000 0.285 270 E C -1.058 175.550 176.600 0.013 0.000 1.005 270 E CA -0.741 55.663 56.400 0.008 0.000 0.816 270 E CB 1.426 31.127 29.700 0.002 0.000 1.220 270 E HN -0.045 nan 8.360 nan 0.000 0.426 271 R N 3.243 123.751 120.500 0.013 0.000 2.409 271 R HA 0.262 4.600 4.340 -0.002 0.000 0.313 271 R C -1.171 175.138 176.300 0.014 0.000 0.953 271 R CA -0.495 55.614 56.100 0.016 0.000 0.849 271 R CB 1.592 31.902 30.300 0.016 0.000 1.171 271 R HN 0.593 nan 8.270 nan 0.000 0.458 272 E N 4.542 124.751 120.200 0.016 0.000 2.070 272 E HA 0.128 4.477 4.350 -0.002 0.000 0.261 272 E C -1.120 175.491 176.600 0.018 0.000 0.926 272 E CA -0.548 55.861 56.400 0.015 0.000 0.760 272 E CB 0.813 30.522 29.700 0.015 0.000 1.133 272 E HN 0.585 nan 8.360 nan 0.000 0.420 273 D N 3.784 124.195 120.400 0.018 0.000 2.225 273 D HA 0.288 4.927 4.640 -0.002 0.000 0.249 273 D C -0.211 176.103 176.300 0.023 0.000 1.052 273 D CA -0.104 53.909 54.000 0.023 0.000 0.909 273 D CB 1.536 42.348 40.800 0.021 0.000 1.186 273 D HN 0.416 nan 8.370 nan 0.000 0.431 274 K N -0.170 120.248 120.400 0.030 0.000 2.570 274 K HA 0.337 4.656 4.320 -0.002 0.000 0.256 274 K C -3.311 173.315 176.600 0.044 0.000 0.939 274 K CA -1.447 54.859 56.287 0.031 0.000 0.833 274 K CB 2.436 34.952 32.500 0.027 0.000 1.318 274 K HN 0.001 nan 8.250 nan 0.000 0.433 275 P HA 0.026 nan 4.420 nan 0.000 0.271 275 P C -0.644 176.701 177.300 0.074 0.000 1.220 275 P CA 0.172 63.307 63.100 0.059 0.000 0.768 275 P CB 1.055 32.780 31.700 0.040 0.000 0.848 276 T N -0.443 114.181 114.554 0.117 0.000 2.907 276 T HA 0.750 5.098 4.350 -0.002 0.000 0.292 276 T C -0.147 174.688 174.700 0.225 0.000 1.043 276 T CA -0.638 61.545 62.100 0.138 0.000 1.003 276 T CB 1.737 70.674 68.868 0.116 0.000 1.084 276 T HN 0.529 nan 8.240 nan 0.000 0.483 277 T N -1.856 112.827 114.554 0.215 0.000 2.865 277 T HA 0.793 5.142 4.350 -0.002 0.000 0.294 277 T C -0.575 174.299 174.700 0.289 0.000 1.119 277 T CA -0.738 61.524 62.100 0.271 0.000 1.007 277 T CB 1.589 70.560 68.868 0.172 0.000 1.225 277 T HN 1.281 nan 8.240 nan 0.000 0.515 278 S N 0.360 116.289 115.700 0.381 0.000 2.557 278 S HA 0.617 5.085 4.470 -0.002 0.000 0.291 278 S C -0.905 173.925 174.600 0.383 0.000 1.116 278 S CA -0.994 57.428 58.200 0.369 0.000 0.992 278 S CB 1.011 64.511 63.200 0.500 0.000 1.028 278 S HN 0.836 nan 8.310 nan 0.000 0.484 279 K N 3.155 123.625 120.400 0.118 0.000 2.098 279 K HA 0.561 4.880 4.320 -0.002 0.000 0.261 279 K C -2.436 173.794 176.600 -0.616 0.000 0.987 279 K CA -2.148 54.076 56.287 -0.105 0.000 0.916 279 K CB 0.591 33.049 32.500 -0.069 0.000 1.039 279 K HN 0.506 nan 8.250 nan 0.000 0.455 280 P HA 0.060 nan 4.420 nan 0.000 0.276 280 P C -0.233 176.618 177.300 -0.747 0.000 1.252 280 P CA -0.423 61.749 63.100 -1.547 0.000 0.802 280 P CB 0.686 31.775 31.700 -1.017 0.000 1.035 281 G N 0.081 108.456 108.800 -0.709 0.000 2.572 281 G HA2 0.449 4.407 3.960 -0.002 0.000 0.261 281 G HA3 0.449 4.407 3.960 -0.002 0.000 0.261 281 G C 0.001 174.528 174.900 -0.622 0.000 1.197 281 G CA -0.261 44.549 45.100 -0.485 0.000 0.870 281 G HN 0.678 nan 8.290 nan 0.000 0.548 282 A N 1.788 124.215 122.820 -0.656 0.000 2.429 282 A HA 0.556 4.875 4.320 -0.002 0.000 0.242 282 A C -1.421 175.703 177.584 -0.766 0.000 1.088 282 A CA -0.736 50.603 52.037 -1.164 0.000 0.784 282 A CB -0.005 18.618 19.000 -0.628 0.000 1.038 282 A HN 0.605 nan 8.150 nan 0.000 0.501 283 P HA 0.201 nan 4.420 nan 0.000 0.272 283 P C -0.622 176.493 177.300 -0.309 0.000 1.240 283 P CA -0.134 62.709 63.100 -0.429 0.000 0.791 283 P CB 0.251 31.858 31.700 -0.154 0.000 0.978 284 F N 0.683 120.579 119.950 -0.091 0.000 2.553 284 F HA 0.161 4.687 4.527 -0.002 0.000 0.356 284 F C 1.273 177.039 175.800 -0.057 0.000 1.142 284 F CA 0.195 58.151 58.000 -0.073 0.000 1.322 284 F CB -0.365 38.603 39.000 -0.053 0.000 1.126 284 F HN 0.185 nan 8.300 nan 0.000 0.599 285 I N -2.414 118.270 120.570 0.189 0.000 3.145 285 I HA 0.460 4.629 4.170 -0.002 0.000 0.313 285 I C 0.740 176.887 176.117 0.050 0.000 1.122 285 I CA -0.858 60.491 61.300 0.081 0.000 0.987 285 I CB 1.656 39.687 38.000 0.053 0.000 1.236 285 I HN 0.421 nan 8.210 nan 0.000 0.453 286 T N 0.548 115.117 114.554 0.025 0.000 2.653 286 T HA -0.221 4.128 4.350 -0.002 0.000 0.268 286 T C 1.819 176.507 174.700 -0.021 0.000 1.035 286 T CA 2.445 64.556 62.100 0.018 0.000 1.154 286 T CB -0.329 68.581 68.868 0.070 0.000 0.862 286 T HN 0.757 nan 8.240 nan 0.000 0.441 287 S N 0.986 116.652 115.700 -0.057 0.000 2.356 287 S HA -0.157 4.311 4.470 -0.002 0.000 0.223 287 S C 2.370 176.859 174.600 -0.186 0.000 1.032 287 S CA 2.082 60.107 58.200 -0.292 0.000 1.005 287 S CB -0.796 62.147 63.200 -0.427 0.000 0.867 287 S HN 0.775 nan 8.310 nan 0.000 0.449 288 T N 0.054 114.565 114.554 -0.071 0.000 2.995 288 T HA 0.026 4.374 4.350 -0.002 0.000 0.269 288 T C 1.710 176.341 174.700 -0.116 0.000 1.091 288 T CA 1.085 63.188 62.100 0.005 0.000 1.128 288 T CB -0.416 68.549 68.868 0.160 0.000 0.891 288 T HN 0.305 nan 8.240 nan 0.000 0.492 289 L N 0.722 121.776 121.223 -0.281 0.000 2.131 289 L HA 0.167 4.505 4.340 -0.002 0.000 0.206 289 L C 2.654 179.298 176.870 -0.376 0.000 1.087 289 L CA 1.487 55.920 54.840 -0.678 0.000 0.767 289 L CB -0.694 41.077 42.059 -0.481 0.000 0.917 289 L HN 0.205 nan 8.230 nan 0.000 0.441 290 Q N -0.897 118.777 119.800 -0.210 0.000 2.050 290 Q HA -0.239 4.100 4.340 -0.002 0.000 0.202 290 Q C 2.167 178.103 176.000 -0.107 0.000 0.980 290 Q CA 2.071 57.800 55.803 -0.124 0.000 0.840 290 Q CB -0.166 28.512 28.738 -0.100 0.000 0.898 290 Q HN 0.657 nan 8.270 nan 0.000 0.424 291 Q N 0.197 119.924 119.800 -0.123 0.000 2.002 291 Q HA -0.180 4.159 4.340 -0.002 0.000 0.204 291 Q C 2.194 178.149 176.000 -0.075 0.000 0.988 291 Q CA 1.463 57.218 55.803 -0.079 0.000 0.843 291 Q CB -0.329 28.367 28.738 -0.069 0.000 0.908 291 Q HN 0.365 nan 8.270 nan 0.000 0.420 292 A N 1.291 124.044 122.820 -0.113 0.000 1.883 292 A HA -0.149 4.170 4.320 -0.002 0.000 0.217 292 A C 2.345 179.845 177.584 -0.140 0.000 1.186 292 A CA 1.772 53.754 52.037 -0.092 0.000 0.624 292 A CB -0.933 18.032 19.000 -0.058 0.000 0.822 292 A HN 0.419 nan 8.150 nan 0.000 0.444 293 A N -1.076 121.623 122.820 -0.201 0.000 1.972 293 A HA -0.054 4.265 4.320 -0.002 0.000 0.219 293 A C 2.433 179.946 177.584 -0.118 0.000 1.169 293 A CA 2.106 54.036 52.037 -0.178 0.000 0.635 293 A CB -0.749 18.224 19.000 -0.045 0.000 0.810 293 A HN 0.547 nan 8.150 nan 0.000 0.446 294 S N -0.986 114.689 115.700 -0.041 0.000 2.335 294 S HA -0.116 4.353 4.470 -0.002 0.000 0.217 294 S C 2.119 176.710 174.600 -0.015 0.000 1.032 294 S CA 2.050 60.258 58.200 0.014 0.000 0.985 294 S CB -0.606 62.616 63.200 0.036 0.000 0.896 294 S HN 0.590 nan 8.310 nan 0.000 0.445 295 T N 2.651 117.192 114.554 -0.022 0.000 2.708 295 T HA -0.027 4.322 4.350 -0.002 0.000 0.266 295 T C 1.958 176.636 174.700 -0.037 0.000 1.037 295 T CA 1.161 63.252 62.100 -0.015 0.000 1.146 295 T CB -0.199 68.667 68.868 -0.004 0.000 0.865 295 T HN 0.256 nan 8.240 nan 0.000 0.435 296 R N 0.828 121.287 120.500 -0.068 0.000 2.100 296 R HA 0.285 4.623 4.340 -0.002 0.000 0.220 296 R C 2.026 178.224 176.300 -0.170 0.000 1.091 296 R CA 0.641 56.690 56.100 -0.085 0.000 0.986 296 R CB -0.800 29.466 30.300 -0.058 0.000 0.888 296 R HN 0.391 nan 8.270 nan 0.000 0.444 297 L N -0.654 120.376 121.223 -0.321 0.000 2.693 297 L HA 0.357 4.696 4.340 -0.002 0.000 0.235 297 L C 0.638 177.295 176.870 -0.355 0.000 1.127 297 L CA 0.239 54.736 54.840 -0.571 0.000 0.914 297 L CB 0.260 41.449 42.059 -1.449 0.000 1.193 297 L HN 0.302 nan 8.230 nan 0.000 0.502 298 G N 0.657 109.386 108.800 -0.118 0.000 2.273 298 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.280 298 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.280 298 G C -0.136 174.931 174.900 0.279 0.000 1.047 298 G CA -0.130 45.011 45.100 0.069 0.000 0.869 298 G HN 0.106 nan 8.290 nan 0.000 0.502 299 F N 0.560 120.515 119.950 0.009 0.000 2.399 299 F HA 0.667 5.193 4.527 -0.002 0.000 0.334 299 F C 1.095 176.900 175.800 0.008 0.000 1.097 299 F CA -1.306 56.697 58.000 0.006 0.000 1.076 299 F CB 1.342 40.340 39.000 -0.002 0.000 1.162 299 F HN 0.205 nan 8.300 nan 0.000 0.495 300 G N 1.421 110.325 108.800 0.173 0.000 2.476 300 G HA2 0.380 4.339 3.960 -0.002 0.000 0.269 300 G HA3 0.380 4.339 3.960 -0.002 0.000 0.269 300 G C 0.794 175.748 174.900 0.090 0.000 1.195 300 G CA -0.605 44.559 45.100 0.108 0.000 0.843 300 G HN 0.519 nan 8.290 nan 0.000 0.545 301 V N 1.746 121.709 119.914 0.083 0.000 2.363 301 V HA -0.233 3.885 4.120 -0.002 0.000 0.254 301 V C 2.961 179.084 176.094 0.050 0.000 1.074 301 V CA 2.513 64.851 62.300 0.063 0.000 1.069 301 V CB -0.403 31.463 31.823 0.072 0.000 0.659 301 V HN 0.879 nan 8.190 nan 0.000 0.455 302 K N 1.227 121.654 120.400 0.045 0.000 2.098 302 K HA -0.161 4.157 4.320 -0.002 0.000 0.203 302 K C 2.060 178.666 176.600 0.009 0.000 1.051 302 K CA 1.740 58.045 56.287 0.030 0.000 0.957 302 K CB -0.485 32.033 32.500 0.029 0.000 0.738 302 K HN 0.449 nan 8.250 nan 0.000 0.447 303 K N 1.145 121.539 120.400 -0.011 0.000 2.057 303 K HA -0.083 4.235 4.320 -0.002 0.000 0.207 303 K C 1.835 178.404 176.600 -0.051 0.000 1.049 303 K CA 1.713 57.962 56.287 -0.063 0.000 0.931 303 K CB -0.200 32.218 32.500 -0.135 0.000 0.714 303 K HN 0.140 nan 8.250 nan 0.000 0.440 304 T N 1.571 116.128 114.554 0.004 0.000 2.684 304 T HA -0.130 4.218 4.350 -0.002 0.000 0.267 304 T C 1.793 176.510 174.700 0.029 0.000 1.036 304 T CA 1.549 63.679 62.100 0.050 0.000 1.148 304 T CB -0.055 68.859 68.868 0.077 0.000 0.863 304 T HN 0.207 nan 8.240 nan 0.000 0.436 305 M N 0.562 120.174 119.600 0.019 0.000 2.296 305 M HA 0.112 4.591 4.480 -0.002 0.000 0.265 305 M C 2.252 178.567 176.300 0.025 0.000 1.064 305 M CA 1.027 56.335 55.300 0.012 0.000 1.109 305 M CB -1.011 31.593 32.600 0.007 0.000 1.396 305 M HN 0.292 nan 8.290 nan 0.000 0.430 306 M N -0.145 119.469 119.600 0.023 0.000 2.156 306 M HA -0.135 4.344 4.480 -0.002 0.000 0.264 306 M C 1.923 178.250 176.300 0.045 0.000 1.067 306 M CA 1.497 56.816 55.300 0.031 0.000 1.131 306 M CB -0.263 32.345 32.600 0.014 0.000 1.368 306 M HN 0.204 nan 8.290 nan 0.000 0.416 307 M N 0.020 119.639 119.600 0.031 0.000 2.132 307 M HA -0.100 4.378 4.480 -0.002 0.000 0.263 307 M C 2.338 178.702 176.300 0.106 0.000 1.065 307 M CA 1.632 56.964 55.300 0.053 0.000 1.122 307 M CB -0.693 31.922 32.600 0.024 0.000 1.365 307 M HN 0.431 nan 8.290 nan 0.000 0.411 308 A N 0.010 122.888 122.820 0.097 0.000 1.902 308 A HA -0.250 4.069 4.320 -0.002 0.000 0.217 308 A C 2.025 179.705 177.584 0.160 0.000 1.181 308 A CA 1.916 54.025 52.037 0.119 0.000 0.623 308 A CB -0.872 18.161 19.000 0.056 0.000 0.818 308 A HN 0.589 nan 8.150 nan 0.000 0.443 309 Q N -0.549 119.331 119.800 0.133 0.000 2.084 309 Q HA -0.184 4.154 4.340 -0.002 0.000 0.202 309 Q C 2.272 178.419 176.000 0.245 0.000 0.978 309 Q CA 1.518 57.443 55.803 0.203 0.000 0.844 309 Q CB -0.105 28.722 28.738 0.148 0.000 0.898 309 Q HN 0.667 nan 8.270 nan 0.000 0.426 310 R N -0.156 120.445 120.500 0.169 0.000 2.092 310 R HA -0.075 4.263 4.340 -0.002 0.000 0.231 310 R C 2.398 178.795 176.300 0.161 0.000 1.119 310 R CA 1.093 57.277 56.100 0.139 0.000 0.970 310 R CB -0.197 30.166 30.300 0.106 0.000 0.864 310 R HN 0.325 nan 8.270 nan 0.000 0.440 311 L N -0.480 120.878 121.223 0.224 0.000 2.056 311 L HA -0.205 4.133 4.340 -0.002 0.000 0.207 311 L C 2.456 179.485 176.870 0.266 0.000 1.078 311 L CA 1.221 56.244 54.840 0.305 0.000 0.749 311 L CB -0.533 41.738 42.059 0.354 0.000 0.901 311 L HN 0.196 nan 8.230 nan 0.000 0.433 312 Y N 1.122 121.526 120.300 0.173 0.000 2.145 312 Y HA -0.250 4.299 4.550 -0.002 0.000 0.286 312 Y C 2.403 178.384 175.900 0.136 0.000 1.145 312 Y CA 1.675 59.879 58.100 0.174 0.000 1.148 312 Y CB -0.259 38.320 38.460 0.199 0.000 0.981 312 Y HN 0.146 nan 8.280 nan 0.000 0.507 313 E N -0.025 120.036 120.200 -0.232 0.000 2.204 313 E HA -0.120 4.229 4.350 -0.002 0.000 0.194 313 E C 1.991 178.444 176.600 -0.245 0.000 0.989 313 E CA 0.741 56.966 56.400 -0.292 0.000 0.824 313 E CB -0.220 29.469 29.700 -0.018 0.000 0.756 313 E HN 0.580 nan 8.360 nan 0.000 0.477 314 A N 0.105 122.794 122.820 -0.217 0.000 2.238 314 A HA 0.249 4.567 4.320 -0.002 0.000 0.208 314 A C 1.616 178.860 177.584 -0.567 0.000 1.177 314 A CA 0.755 52.574 52.037 -0.363 0.000 0.804 314 A CB -0.148 18.637 19.000 -0.357 0.000 0.823 314 A HN 0.305 nan 8.150 nan 0.000 0.482 315 G N -2.262 106.318 108.800 -0.367 0.000 2.136 315 G HA2 -0.311 3.648 3.960 -0.002 0.000 0.242 315 G HA3 -0.311 3.648 3.960 -0.002 0.000 0.242 315 G C 0.356 175.199 174.900 -0.095 0.000 0.989 315 G CA 0.640 45.600 45.100 -0.234 0.000 0.682 315 G HN 0.486 nan 8.290 nan 0.000 0.522 316 Y N -0.198 120.153 120.300 0.086 0.000 2.497 316 Y HA 0.476 5.025 4.550 -0.002 0.000 0.265 316 Y C 1.728 177.807 175.900 0.298 0.000 1.111 316 Y CA 0.257 58.445 58.100 0.147 0.000 1.288 316 Y CB 0.224 38.706 38.460 0.035 0.000 1.082 316 Y HN 0.655 nan 8.280 nan 0.000 0.536 317 I N -3.772 117.039 120.570 0.402 0.000 3.195 317 I HA 0.588 4.756 4.170 -0.002 0.000 0.313 317 I C -0.057 176.253 176.117 0.323 0.000 1.237 317 I CA -1.421 60.080 61.300 0.334 0.000 0.963 317 I CB 1.858 40.053 38.000 0.325 0.000 1.278 317 I HN -0.145 nan 8.210 nan 0.000 0.460 318 T N -0.672 114.025 114.554 0.239 0.000 2.788 318 T HA 0.241 4.590 4.350 -0.002 0.000 0.287 318 T C -0.115 174.785 174.700 0.334 0.000 1.007 318 T CA -0.091 62.181 62.100 0.287 0.000 1.005 318 T CB 0.386 69.345 68.868 0.151 0.000 1.012 318 T HN 0.522 nan 8.240 nan 0.000 0.530 319 Y N 3.117 123.478 120.300 0.103 0.000 2.881 319 Y HA 0.001 4.549 4.550 -0.003 0.000 0.335 319 Y C 1.720 177.511 175.900 -0.183 0.000 1.263 319 Y CA -0.950 56.961 58.100 -0.315 0.000 1.572 319 Y CB 0.318 38.590 38.460 -0.313 0.000 1.237 319 Y HN 0.656 nan 8.280 nan 0.000 0.568 320 M N 4.630 123.834 119.600 -0.660 0.000 2.619 320 M HA 0.109 4.587 4.480 -0.002 0.000 0.251 320 M C -0.487 175.497 176.300 -0.526 0.000 1.106 320 M CA 1.222 56.259 55.300 -0.438 0.000 1.086 320 M CB -0.431 32.027 32.600 -0.238 0.000 1.465 320 M HN 0.558 nan 8.290 nan 0.000 0.506 321 R N 1.169 121.099 120.500 -0.949 0.000 2.272 321 R HA 0.554 4.893 4.340 -0.002 0.000 0.323 321 R C -0.657 175.455 176.300 -0.314 0.000 1.002 321 R CA -0.069 55.702 56.100 -0.549 0.000 0.900 321 R CB 1.226 31.213 30.300 -0.521 0.000 1.151 321 R HN 0.272 nan 8.270 nan 0.000 0.507 322 T N 0.021 114.476 114.554 -0.165 0.000 2.840 322 T HA 0.139 4.488 4.350 -0.002 0.000 0.317 322 T C -1.107 173.564 174.700 -0.049 0.000 1.401 322 T CA -0.698 61.344 62.100 -0.097 0.000 1.028 322 T CB 1.489 70.344 68.868 -0.022 0.000 1.317 322 T HN 0.645 nan 8.240 nan 0.000 0.495 323 D N 0.716 121.084 120.400 -0.053 0.000 2.556 323 D HA 0.204 4.842 4.640 -0.002 0.000 0.237 323 D C 0.237 176.542 176.300 0.009 0.000 1.296 323 D CA -0.235 53.762 54.000 -0.004 0.000 0.807 323 D CB 0.276 41.070 40.800 -0.010 0.000 1.084 323 D HN 0.355 nan 8.370 nan 0.000 0.510 324 S N 0.425 116.137 115.700 0.018 0.000 2.480 324 S HA 0.375 4.844 4.470 -0.002 0.000 0.286 324 S C 0.945 175.582 174.600 0.060 0.000 1.180 324 S CA -0.231 58.003 58.200 0.057 0.000 1.075 324 S CB 1.158 64.423 63.200 0.108 0.000 0.996 324 S HN 0.182 nan 8.310 nan 0.000 0.487 325 T N 1.575 116.167 114.554 0.062 0.000 3.206 325 T HA 0.254 4.603 4.350 -0.002 0.000 0.253 325 T C 0.240 174.996 174.700 0.094 0.000 1.042 325 T CA -0.567 61.566 62.100 0.056 0.000 0.931 325 T CB -0.628 68.270 68.868 0.050 0.000 1.029 325 T HN 0.488 nan 8.240 nan 0.000 0.564 326 N N 1.963 120.720 118.700 0.096 0.000 2.492 326 N HA 0.407 5.146 4.740 -0.002 0.000 0.260 326 N C -0.685 174.891 175.510 0.109 0.000 1.215 326 N CA -0.165 52.947 53.050 0.103 0.000 0.923 326 N CB 0.635 39.177 38.487 0.092 0.000 1.092 326 N HN 0.403 nan 8.380 nan 0.000 0.448 327 L N 0.650 121.946 121.223 0.121 0.000 2.385 327 L HA 0.369 4.707 4.340 -0.002 0.000 0.273 327 L C 0.421 177.358 176.870 0.112 0.000 0.990 327 L CA -0.949 53.975 54.840 0.140 0.000 0.821 327 L CB 1.811 43.995 42.059 0.208 0.000 1.279 327 L HN 0.541 nan 8.230 nan 0.000 0.412 328 S N 1.136 116.897 115.700 0.101 0.000 2.593 328 S HA 0.058 4.527 4.470 -0.002 0.000 0.269 328 S C 0.778 175.429 174.600 0.086 0.000 1.334 328 S CA -0.276 57.972 58.200 0.080 0.000 1.015 328 S CB 1.503 64.744 63.200 0.068 0.000 0.912 328 S HN 0.802 nan 8.310 nan 0.000 0.541 329 Q N 0.541 120.380 119.800 0.065 0.000 2.112 329 Q HA -0.217 4.121 4.340 -0.002 0.000 0.206 329 Q C 1.002 177.044 176.000 0.070 0.000 0.987 329 Q CA 2.237 58.076 55.803 0.059 0.000 0.858 329 Q CB -0.252 28.512 28.738 0.043 0.000 0.905 329 Q HN 0.821 nan 8.270 nan 0.000 0.420 330 D N -0.207 120.235 120.400 0.070 0.000 2.117 330 D HA -0.124 4.514 4.640 -0.002 0.000 0.198 330 D C 1.705 178.072 176.300 0.111 0.000 0.982 330 D CA 1.243 55.290 54.000 0.077 0.000 0.828 330 D CB -0.339 40.498 40.800 0.062 0.000 0.967 330 D HN 0.343 nan 8.370 nan 0.000 0.464 331 A N 0.910 123.810 122.820 0.133 0.000 1.865 331 A HA -0.173 4.146 4.320 -0.002 0.000 0.217 331 A C 2.566 180.315 177.584 0.275 0.000 1.191 331 A CA 1.583 53.751 52.037 0.219 0.000 0.623 331 A CB -0.930 18.195 19.000 0.208 0.000 0.826 331 A HN 0.149 nan 8.150 nan 0.000 0.444 332 V N 0.932 120.960 119.914 0.190 0.000 2.407 332 V HA -0.245 3.873 4.120 -0.002 0.000 0.248 332 V C 2.184 178.323 176.094 0.075 0.000 1.055 332 V CA 2.156 64.522 62.300 0.110 0.000 1.049 332 V CB -0.952 30.921 31.823 0.084 0.000 0.662 332 V HN 0.556 nan 8.190 nan 0.000 0.455 333 N N 0.285 119.037 118.700 0.086 0.000 2.331 333 N HA -0.095 4.643 4.740 -0.002 0.000 0.180 333 N C 1.831 177.397 175.510 0.092 0.000 1.019 333 N CA 1.692 54.786 53.050 0.074 0.000 0.881 333 N CB -0.304 38.221 38.487 0.063 0.000 0.972 333 N HN 0.719 nan 8.380 nan 0.000 0.435 334 M N -1.220 118.455 119.600 0.124 0.000 2.288 334 M HA 0.094 4.572 4.480 -0.002 0.000 0.266 334 M C 1.906 178.308 176.300 0.170 0.000 1.072 334 M CA 1.150 56.541 55.300 0.153 0.000 1.132 334 M CB -0.340 32.365 32.600 0.174 0.000 1.386 334 M HN -0.142 nan 8.290 nan 0.000 0.432 335 V N 1.069 121.054 119.914 0.119 0.000 2.453 335 V HA -0.108 4.011 4.120 -0.002 0.000 0.247 335 V C 2.454 178.573 176.094 0.042 0.000 1.048 335 V CA 1.666 63.964 62.300 -0.004 0.000 1.049 335 V CB -0.433 31.124 31.823 -0.443 0.000 0.672 335 V HN 0.578 nan 8.190 nan 0.000 0.457 336 R N 0.001 120.524 120.500 0.038 0.000 2.096 336 R HA -0.069 4.269 4.340 -0.002 0.000 0.235 336 R C 2.353 178.711 176.300 0.097 0.000 1.127 336 R CA 1.385 57.522 56.100 0.061 0.000 0.968 336 R CB -0.882 29.445 30.300 0.044 0.000 0.861 336 R HN 0.619 nan 8.270 nan 0.000 0.440 337 G N 0.127 108.989 108.800 0.104 0.000 2.446 337 G HA2 -0.333 3.625 3.960 -0.002 0.000 0.217 337 G HA3 -0.333 3.625 3.960 -0.002 0.000 0.217 337 G C 1.225 176.191 174.900 0.109 0.000 1.168 337 G CA 0.670 45.827 45.100 0.096 0.000 0.771 337 G HN 0.326 nan 8.290 nan 0.000 0.551 338 Y N 1.169 121.502 120.300 0.055 0.000 2.145 338 Y HA -0.077 4.472 4.550 -0.003 0.000 0.286 338 Y C 2.618 178.550 175.900 0.053 0.000 1.145 338 Y CA 1.460 59.596 58.100 0.061 0.000 1.148 338 Y CB -0.161 38.357 38.460 0.097 0.000 0.981 338 Y HN 0.188 nan 8.280 nan 0.000 0.507 339 I N -1.291 119.467 120.570 0.312 0.000 2.179 339 I HA -0.324 3.844 4.170 -0.002 0.000 0.242 339 I C 2.781 179.015 176.117 0.195 0.000 1.088 339 I CA 1.584 63.091 61.300 0.346 0.000 1.357 339 I CB -0.688 37.488 38.000 0.292 0.000 1.051 339 I HN 0.159 nan 8.210 nan 0.000 0.409 340 S N 0.646 116.420 115.700 0.123 0.000 2.353 340 S HA -0.232 4.237 4.470 -0.002 0.000 0.222 340 S C 1.659 176.264 174.600 0.009 0.000 1.035 340 S CA 2.130 60.378 58.200 0.081 0.000 1.025 340 S CB -0.293 62.944 63.200 0.060 0.000 0.902 340 S HN 0.405 nan 8.310 nan 0.000 0.440 341 D N 0.906 121.265 120.400 -0.069 0.000 2.194 341 D HA 0.036 4.674 4.640 -0.002 0.000 0.204 341 D C 1.587 177.740 176.300 -0.246 0.000 0.964 341 D CA 0.746 54.662 54.000 -0.140 0.000 0.846 341 D CB -0.403 40.298 40.800 -0.165 0.000 0.962 341 D HN 0.451 nan 8.370 nan 0.000 0.490 342 N N -0.916 117.534 118.700 -0.417 0.000 2.356 342 N HA 0.060 4.799 4.740 -0.002 0.000 0.178 342 N C 0.672 175.703 175.510 -0.799 0.000 1.075 342 N CA 0.274 52.916 53.050 -0.680 0.000 0.889 342 N CB 0.498 38.340 38.487 -1.076 0.000 0.999 342 N HN 0.163 nan 8.380 nan 0.000 0.464 343 F N -0.003 119.882 119.950 -0.108 0.000 2.581 343 F HA 0.401 4.927 4.527 -0.002 0.000 0.278 343 F C 1.285 177.060 175.800 -0.042 0.000 1.000 343 F CA 0.337 58.211 58.000 -0.210 0.000 1.230 343 F CB 0.299 39.061 39.000 -0.396 0.000 1.008 343 F HN -0.076 nan 8.300 nan 0.000 0.695 344 G N 0.550 109.502 108.800 0.253 0.000 2.428 344 G HA2 -0.052 3.907 3.960 -0.002 0.000 0.681 344 G HA3 -0.052 3.907 3.960 -0.002 0.000 0.681 344 G C 0.153 175.235 174.900 0.303 0.000 1.340 344 G CA -0.768 44.491 45.100 0.266 0.000 0.915 344 G HN -0.171 nan 8.290 nan 0.000 0.645 345 K N 0.320 120.827 120.400 0.179 0.000 2.173 345 K HA -0.158 4.160 4.320 -0.002 0.000 0.207 345 K C 2.532 179.192 176.600 0.100 0.000 1.046 345 K CA 1.973 58.332 56.287 0.120 0.000 0.929 345 K CB -0.165 32.369 32.500 0.058 0.000 0.720 345 K HN 0.711 nan 8.250 nan 0.000 0.453 346 K N -0.459 119.998 120.400 0.095 0.000 2.432 346 K HA -0.077 4.242 4.320 -0.002 0.000 0.196 346 K C 1.231 177.793 176.600 -0.063 0.000 1.038 346 K CA 0.926 57.146 56.287 -0.111 0.000 0.986 346 K CB -0.270 32.024 32.500 -0.342 0.000 0.782 346 K HN 0.201 nan 8.250 nan 0.000 0.485 347 Y N 0.730 121.175 120.300 0.241 0.000 2.457 347 Y HA 0.242 4.791 4.550 -0.002 0.000 0.263 347 Y C 0.496 176.491 175.900 0.159 0.000 1.164 347 Y CA -0.620 57.633 58.100 0.256 0.000 1.274 347 Y CB 0.485 39.068 38.460 0.206 0.000 1.097 347 Y HN -0.051 nan 8.280 nan 0.000 0.523 348 L N 2.044 123.403 121.223 0.226 0.000 2.280 348 L HA 0.539 4.878 4.340 -0.002 0.000 0.287 348 L C -2.646 174.273 176.870 0.081 0.000 1.023 348 L CA -2.265 52.663 54.840 0.146 0.000 0.819 348 L CB 0.791 42.928 42.059 0.130 0.000 1.212 348 L HN -0.225 nan 8.230 nan 0.000 0.420 349 P HA 0.019 nan 4.420 nan 0.000 0.270 349 P C 0.104 177.412 177.300 0.015 0.000 1.221 349 P CA 0.024 63.141 63.100 0.028 0.000 0.788 349 P CB 0.705 32.413 31.700 0.014 0.000 0.904 350 E N -0.052 120.147 120.200 -0.001 0.000 2.047 350 E HA -0.048 4.301 4.350 -0.002 0.000 0.191 350 E C 0.206 176.804 176.600 -0.003 0.000 0.987 350 E CA 1.489 57.886 56.400 -0.005 0.000 0.799 350 E CB -0.088 29.603 29.700 -0.014 0.000 0.752 350 E HN 0.295 nan 8.360 nan 0.000 0.449 351 S N -0.174 115.520 115.700 -0.010 0.000 2.607 351 S HA 0.536 5.005 4.470 -0.002 0.000 0.303 351 S C -2.610 171.979 174.600 -0.018 0.000 1.086 351 S CA -1.465 56.727 58.200 -0.013 0.000 0.995 351 S CB 1.690 64.876 63.200 -0.023 0.000 1.084 351 S HN -0.084 nan 8.310 nan 0.000 0.507 352 P HA 0.200 nan 4.420 nan 0.000 0.271 352 P C -0.884 176.383 177.300 -0.054 0.000 1.218 352 P CA -0.388 62.701 63.100 -0.018 0.000 0.780 352 P CB 0.344 32.043 31.700 -0.001 0.000 0.901 353 N N 2.347 121.006 118.700 -0.068 0.000 2.497 353 N HA 0.094 4.833 4.740 -0.002 0.000 0.271 353 N C -0.106 175.275 175.510 -0.216 0.000 1.142 353 N CA 0.104 53.032 53.050 -0.203 0.000 0.965 353 N CB 0.208 38.569 38.487 -0.210 0.000 1.077 353 N HN 0.337 nan 8.380 nan 0.000 0.462 354 Q N 2.395 122.007 119.800 -0.313 0.000 2.347 354 Q HA 0.311 4.649 4.340 -0.002 0.000 0.262 354 Q C -1.362 174.445 176.000 -0.323 0.000 0.980 354 Q CA -0.427 55.264 55.803 -0.186 0.000 0.867 354 Q CB 0.619 29.289 28.738 -0.112 0.000 1.242 354 Q HN 0.479 nan 8.270 nan 0.000 0.453 355 Y N 1.023 121.310 120.300 -0.023 0.000 2.331 355 Y HA 0.738 5.287 4.550 -0.002 0.000 0.334 355 Y C 0.200 176.093 175.900 -0.012 0.000 0.960 355 Y CA -0.505 57.578 58.100 -0.029 0.000 1.130 355 Y CB 1.947 40.381 38.460 -0.044 0.000 1.164 355 Y HN 0.660 nan 8.280 nan 0.000 0.458 366 E N 0.626 120.941 120.200 0.192 0.000 2.416 366 E HA 0.703 5.052 4.350 -0.002 0.000 0.273 366 E C -0.729 175.931 176.600 0.099 0.000 0.935 366 E CA -1.077 55.397 56.400 0.123 0.000 0.784 366 E CB 2.822 32.581 29.700 0.098 0.000 1.301 366 E HN 0.566 nan 8.360 nan 0.000 0.454 367 A N 1.180 124.042 122.820 0.071 0.000 2.325 367 A HA 0.335 4.654 4.320 -0.002 0.000 0.260 367 A C 0.033 177.639 177.584 0.037 0.000 1.133 367 A CA -0.062 52.005 52.037 0.050 0.000 0.801 367 A CB 0.054 19.073 19.000 0.031 0.000 1.092 367 A HN 0.500 nan 8.150 nan 0.000 0.504 368 I N 0.673 121.275 120.570 0.052 0.000 2.337 368 I HA 0.420 4.588 4.170 -0.002 0.000 0.291 368 I C 0.463 176.578 176.117 -0.003 0.000 1.046 368 I CA 0.050 61.383 61.300 0.054 0.000 1.324 368 I CB 0.202 38.259 38.000 0.096 0.000 1.409 368 I HN 0.809 nan 8.210 nan 0.000 0.494 369 R N 6.737 127.172 120.500 -0.109 0.000 2.734 369 R HA 0.614 4.952 4.340 -0.002 0.000 0.271 369 R C -3.160 172.962 176.300 -0.297 0.000 1.021 369 R CA -1.863 54.015 56.100 -0.371 0.000 0.893 369 R CB 1.099 30.846 30.300 -0.920 0.000 1.244 369 R HN 0.125 nan 8.270 nan 0.000 0.464 370 P HA 0.033 nan 4.420 nan 0.000 0.269 370 P C -0.237 177.056 177.300 -0.012 0.000 1.215 370 P CA -0.190 62.908 63.100 -0.003 0.000 0.780 370 P CB 1.149 32.932 31.700 0.139 0.000 0.898 371 S N -0.419 115.388 115.700 0.179 0.000 2.414 371 S HA -0.046 4.423 4.470 -0.002 0.000 0.227 371 S C 0.631 175.317 174.600 0.142 0.000 1.022 371 S CA 1.133 59.413 58.200 0.133 0.000 0.958 371 S CB -0.284 63.019 63.200 0.171 0.000 0.797 371 S HN 0.626 nan 8.310 nan 0.000 0.493 372 D N 0.177 120.712 120.400 0.225 0.000 2.686 372 D HA 0.284 4.923 4.640 -0.002 0.000 0.249 372 D C 0.674 177.172 176.300 0.329 0.000 1.260 372 D CA -0.433 53.707 54.000 0.233 0.000 0.910 372 D CB 1.693 42.620 40.800 0.211 0.000 1.323 372 D HN -0.119 nan 8.370 nan 0.000 0.561 373 V N 3.560 123.678 119.914 0.340 0.000 2.594 373 V HA -0.154 3.964 4.120 -0.002 0.000 0.253 373 V C 1.770 178.165 176.094 0.502 0.000 1.069 373 V CA 1.161 63.722 62.300 0.434 0.000 1.082 373 V CB -0.506 31.494 31.823 0.295 0.000 0.680 373 V HN 0.591 nan 8.190 nan 0.000 0.469 374 N N 0.183 119.116 118.700 0.389 0.000 2.515 374 N HA 0.000 4.739 4.740 -0.002 0.000 0.185 374 N C 0.431 176.083 175.510 0.236 0.000 1.109 374 N CA 0.370 53.630 53.050 0.351 0.000 0.903 374 N CB 0.274 38.920 38.487 0.265 0.000 0.969 374 N HN 0.365 nan 8.380 nan 0.000 0.450 375 V N 3.183 123.236 119.914 0.233 0.000 2.368 375 V HA 0.183 4.301 4.120 -0.002 0.000 0.266 375 V C 0.390 176.501 176.094 0.028 0.000 1.045 375 V CA -0.273 62.089 62.300 0.103 0.000 0.899 375 V CB 1.008 32.887 31.823 0.093 0.000 1.006 375 V HN 0.069 nan 8.190 nan 0.000 0.470 376 M N 3.118 122.645 119.600 -0.122 0.000 2.291 376 M HA 0.420 4.899 4.480 -0.002 0.000 0.324 376 M C 1.462 177.628 176.300 -0.223 0.000 1.148 376 M CA -0.320 54.824 55.300 -0.260 0.000 1.104 376 M CB 0.882 33.321 32.600 -0.269 0.000 1.483 376 M HN 0.629 nan 8.290 nan 0.000 0.467 377 A N 1.562 124.310 122.820 -0.120 0.000 1.892 377 A HA -0.181 4.137 4.320 -0.002 0.000 0.218 377 A C 1.719 179.201 177.584 -0.169 0.000 1.188 377 A CA 1.956 53.955 52.037 -0.065 0.000 0.631 377 A CB -0.612 18.434 19.000 0.076 0.000 0.822 377 A HN 0.871 nan 8.150 nan 0.000 0.447 378 E N 0.406 120.525 120.200 -0.135 0.000 2.331 378 E HA -0.076 4.273 4.350 -0.002 0.000 0.199 378 E C 1.711 178.233 176.600 -0.131 0.000 1.008 378 E CA 1.286 57.620 56.400 -0.110 0.000 0.843 378 E CB -0.213 29.435 29.700 -0.086 0.000 0.761 378 E HN 0.556 nan 8.360 nan 0.000 0.507 379 S N -0.238 115.352 115.700 -0.184 0.000 2.540 379 S HA 0.199 4.667 4.470 -0.002 0.000 0.218 379 S C 0.437 174.896 174.600 -0.236 0.000 0.977 379 S CA -0.290 57.807 58.200 -0.171 0.000 0.918 379 S CB 0.175 63.289 63.200 -0.143 0.000 0.806 379 S HN 0.123 nan 8.310 nan 0.000 0.496 380 L N 2.798 123.801 121.223 -0.367 0.000 2.416 380 L HA 0.176 4.515 4.340 -0.002 0.000 0.272 380 L C 1.490 178.261 176.870 -0.165 0.000 1.161 380 L CA -0.248 54.298 54.840 -0.489 0.000 0.845 380 L CB 0.598 42.231 42.059 -0.710 0.000 1.119 380 L HN 0.232 nan 8.230 nan 0.000 0.464 381 K N 1.205 121.604 120.400 -0.001 0.000 2.102 381 K HA -0.006 4.313 4.320 -0.002 0.000 0.206 381 K C 0.680 177.313 176.600 0.054 0.000 1.031 381 K CA 0.476 56.784 56.287 0.035 0.000 0.962 381 K CB -0.031 32.501 32.500 0.055 0.000 0.811 381 K HN 0.564 nan 8.250 nan 0.000 0.453 382 D N 1.214 121.681 120.400 0.113 0.000 2.390 382 D HA -0.028 4.610 4.640 -0.002 0.000 0.235 382 D C 0.259 176.602 176.300 0.072 0.000 1.040 382 D CA 0.625 54.672 54.000 0.079 0.000 0.923 382 D CB 0.017 40.861 40.800 0.072 0.000 0.886 382 D HN 0.232 nan 8.370 nan 0.000 0.532 383 M N 1.588 121.224 119.600 0.060 0.000 2.508 383 M HA 0.198 4.676 4.480 -0.002 0.000 0.327 383 M C 0.438 176.746 176.300 0.014 0.000 1.160 383 M CA -0.755 54.569 55.300 0.041 0.000 0.980 383 M CB 2.295 34.910 32.600 0.026 0.000 1.693 383 M HN -0.119 nan 8.290 nan 0.000 0.452 384 E N 1.657 121.868 120.200 0.018 0.000 2.254 384 E HA 0.552 4.901 4.350 -0.002 0.000 0.261 384 E C 0.508 177.120 176.600 0.020 0.000 1.051 384 E CA -0.287 56.120 56.400 0.011 0.000 0.902 384 E CB 0.539 30.242 29.700 0.004 0.000 1.168 384 E HN 0.646 nan 8.360 nan 0.000 0.423 385 A N 1.686 124.520 122.820 0.023 0.000 1.909 385 A HA -0.320 3.998 4.320 -0.002 0.000 0.221 385 A C 1.620 179.258 177.584 0.090 0.000 1.223 385 A CA 2.570 54.635 52.037 0.047 0.000 0.658 385 A CB -0.957 18.070 19.000 0.045 0.000 0.831 385 A HN 0.694 nan 8.150 nan 0.000 0.462 386 D N -0.698 119.745 120.400 0.072 0.000 2.178 386 D HA 0.037 4.675 4.640 -0.002 0.000 0.202 386 D C 2.141 178.524 176.300 0.139 0.000 0.974 386 D CA 1.429 55.493 54.000 0.106 0.000 0.841 386 D CB -0.379 40.317 40.800 -0.174 0.000 0.953 386 D HN 0.484 nan 8.370 nan 0.000 0.478 387 A N 0.323 123.188 122.820 0.075 0.000 2.016 387 A HA -0.124 4.195 4.320 -0.002 0.000 0.217 387 A C 2.054 179.731 177.584 0.156 0.000 1.162 387 A CA 0.836 52.941 52.037 0.113 0.000 0.662 387 A CB -0.292 18.756 19.000 0.080 0.000 0.812 387 A HN 0.171 nan 8.150 nan 0.000 0.450 388 Q N -0.475 119.395 119.800 0.116 0.000 2.083 388 Q HA -0.116 4.222 4.340 -0.002 0.000 0.198 388 Q C 1.986 178.094 176.000 0.180 0.000 0.969 388 Q CA 1.482 57.348 55.803 0.105 0.000 0.838 388 Q CB -0.120 28.639 28.738 0.034 0.000 0.900 388 Q HN 0.614 nan 8.270 nan 0.000 0.436 389 K N 0.422 120.938 120.400 0.194 0.000 2.057 389 K HA -0.160 4.159 4.320 -0.002 0.000 0.207 389 K C 1.973 178.697 176.600 0.207 0.000 1.049 389 K CA 0.848 57.251 56.287 0.193 0.000 0.931 389 K CB -0.097 32.550 32.500 0.245 0.000 0.714 389 K HN 0.050 nan 8.250 nan 0.000 0.440 390 L N 0.078 121.477 121.223 0.295 0.000 2.093 390 L HA -0.161 4.178 4.340 -0.002 0.000 0.208 390 L C 2.046 179.049 176.870 0.223 0.000 1.085 390 L CA 1.545 56.536 54.840 0.252 0.000 0.755 390 L CB -0.541 41.699 42.059 0.302 0.000 0.904 390 L HN 0.200 nan 8.230 nan 0.000 0.435 391 Y N 0.225 120.608 120.300 0.137 0.000 2.145 391 Y HA -0.325 4.224 4.550 -0.002 0.000 0.286 391 Y C 2.793 178.807 175.900 0.189 0.000 1.145 391 Y CA 2.329 60.512 58.100 0.139 0.000 1.148 391 Y CB -0.355 38.140 38.460 0.058 0.000 0.981 391 Y HN 0.447 nan 8.280 nan 0.000 0.507 392 Q N -0.149 119.783 119.800 0.220 0.000 2.135 392 Q HA -0.256 4.082 4.340 -0.002 0.000 0.204 392 Q C 2.232 178.356 176.000 0.207 0.000 0.981 392 Q CA 2.026 57.935 55.803 0.177 0.000 0.856 392 Q CB -0.398 28.425 28.738 0.141 0.000 0.902 392 Q HN 0.608 nan 8.270 nan 0.000 0.425 393 L N 0.373 121.702 121.223 0.176 0.000 2.056 393 L HA -0.126 4.213 4.340 -0.002 0.000 0.207 393 L C 2.054 179.125 176.870 0.335 0.000 1.078 393 L CA 1.560 56.529 54.840 0.216 0.000 0.749 393 L CB -0.248 41.889 42.059 0.129 0.000 0.901 393 L HN 0.305 nan 8.230 nan 0.000 0.433 394 I N -1.966 118.763 120.570 0.264 0.000 2.252 394 I HA -0.275 3.894 4.170 -0.002 0.000 0.245 394 I C 2.253 178.439 176.117 0.115 0.000 1.102 394 I CA 1.560 63.031 61.300 0.284 0.000 1.385 394 I CB -0.495 37.586 38.000 0.136 0.000 1.064 394 I HN 0.484 nan 8.210 nan 0.000 0.414 395 W N 2.292 123.477 121.300 -0.191 0.000 2.354 395 W HA -0.188 4.470 4.660 -0.002 0.000 0.315 395 W C 2.742 179.256 176.519 -0.008 0.000 1.206 395 W CA 1.496 58.740 57.345 -0.167 0.000 1.290 395 W CB -0.139 29.125 29.460 -0.327 0.000 1.152 395 W HN -0.120 nan 8.180 nan 0.000 0.489 396 R N -0.294 120.363 120.500 0.261 0.000 2.096 396 R HA -0.224 4.115 4.340 -0.002 0.000 0.235 396 R C 2.113 178.358 176.300 -0.092 0.000 1.127 396 R CA 1.811 57.967 56.100 0.094 0.000 0.968 396 R CB -0.770 29.680 30.300 0.250 0.000 0.861 396 R HN 0.249 nan 8.270 nan 0.000 0.440 397 Q N 0.373 120.115 119.800 -0.097 0.000 2.079 397 Q HA -0.158 4.180 4.340 -0.002 0.000 0.200 397 Q C 1.706 177.518 176.000 -0.314 0.000 0.974 397 Q CA 1.427 57.041 55.803 -0.316 0.000 0.840 397 Q CB -0.292 27.982 28.738 -0.772 0.000 0.898 397 Q HN 0.250 nan 8.270 nan 0.000 0.430 398 F N -0.436 119.277 119.950 -0.395 0.000 2.075 398 F HA -0.157 4.368 4.527 -0.002 0.000 0.297 398 F C 1.823 177.397 175.800 -0.376 0.000 1.113 398 F CA 1.461 59.239 58.000 -0.370 0.000 1.218 398 F CB -0.712 38.083 39.000 -0.343 0.000 0.984 398 F HN -0.027 nan 8.300 nan 0.000 0.472 399 V N 0.746 120.239 119.914 -0.702 0.000 2.261 399 V HA -0.285 3.834 4.120 -0.002 0.000 0.246 399 V C 2.811 178.657 176.094 -0.413 0.000 1.047 399 V CA 1.925 63.781 62.300 -0.739 0.000 1.015 399 V CB -1.704 29.556 31.823 -0.939 0.000 0.642 399 V HN 0.484 nan 8.190 nan 0.000 0.446 400 A N 0.266 122.917 122.820 -0.282 0.000 1.940 400 A HA -0.307 4.011 4.320 -0.002 0.000 0.219 400 A C 2.419 179.910 177.584 -0.155 0.000 1.176 400 A CA 2.226 54.207 52.037 -0.093 0.000 0.631 400 A CB -1.196 17.842 19.000 0.063 0.000 0.814 400 A HN 0.851 nan 8.150 nan 0.000 0.446 401 C N -1.933 117.197 119.300 -0.283 0.000 2.419 401 C HA -0.004 4.454 4.460 -0.002 0.000 0.283 401 C C 1.840 176.801 174.990 -0.048 0.000 1.373 401 C CA 1.031 59.893 59.018 -0.260 0.000 1.781 401 C CB -0.997 26.469 27.740 -0.457 0.000 1.886 401 C HN 0.560 nan 8.230 nan 0.000 0.520 402 Q N 0.178 119.896 119.800 -0.136 0.000 2.220 402 Q HA 0.413 4.752 4.340 -0.002 0.000 0.205 402 Q C 0.416 176.409 176.000 -0.012 0.000 0.865 402 Q CA 0.204 55.964 55.803 -0.071 0.000 0.960 402 Q CB 0.285 28.914 28.738 -0.182 0.000 1.097 402 Q HN 0.755 nan 8.270 nan 0.000 0.493 403 M N 0.366 119.980 119.600 0.023 0.000 2.513 403 M HA 0.203 4.682 4.480 -0.002 0.000 0.291 403 M C 0.645 177.034 176.300 0.148 0.000 1.190 403 M CA -0.374 54.995 55.300 0.114 0.000 0.960 403 M CB 1.113 33.798 32.600 0.142 0.000 1.517 403 M HN -0.074 nan 8.290 nan 0.000 0.499 404 T N -1.193 113.478 114.554 0.195 0.000 2.868 404 T HA 0.421 4.769 4.350 -0.002 0.000 0.292 404 T C -2.624 172.239 174.700 0.272 0.000 1.028 404 T CA -1.601 60.614 62.100 0.192 0.000 1.059 404 T CB 0.202 69.193 68.868 0.205 0.000 0.991 404 T HN 0.258 nan 8.240 nan 0.000 0.531 405 P HA 0.389 nan 4.420 nan 0.000 0.272 405 P C -0.715 176.740 177.300 0.259 0.000 1.223 405 P CA -0.451 62.842 63.100 0.322 0.000 0.784 405 P CB 0.242 32.059 31.700 0.195 0.000 0.923 406 A N 2.672 125.629 122.820 0.228 0.000 2.340 406 A HA 0.405 4.723 4.320 -0.002 0.000 0.268 406 A C -0.089 177.448 177.584 -0.078 0.000 1.100 406 A CA -0.049 51.914 52.037 -0.124 0.000 0.803 406 A CB 0.035 18.895 19.000 -0.234 0.000 1.043 406 A HN 0.309 nan 8.150 nan 0.000 0.488 407 K N 1.627 121.886 120.400 -0.234 0.000 2.323 407 K HA 0.507 4.826 4.320 -0.002 0.000 0.259 407 K C -1.768 174.621 176.600 -0.352 0.000 0.947 407 K CA -0.051 56.157 56.287 -0.131 0.000 0.819 407 K CB 1.390 33.902 32.500 0.019 0.000 1.109 407 K HN 0.635 nan 8.250 nan 0.000 0.429 408 Y N 0.068 120.396 120.300 0.046 0.000 2.462 408 Y HA 0.250 4.798 4.550 -0.003 0.000 0.346 408 Y C -0.086 175.830 175.900 0.027 0.000 0.976 408 Y CA -0.982 57.135 58.100 0.029 0.000 1.044 408 Y CB 1.835 40.309 38.460 0.023 0.000 1.230 408 Y HN 0.390 nan 8.280 nan 0.000 0.455 409 D N 1.821 122.323 120.400 0.169 0.000 2.443 409 D HA 0.294 4.933 4.640 -0.002 0.000 0.221 409 D C -0.820 175.542 176.300 0.103 0.000 1.097 409 D CA -0.074 53.988 54.000 0.104 0.000 0.865 409 D CB 1.069 41.908 40.800 0.065 0.000 1.034 409 D HN 0.384 nan 8.370 nan 0.000 0.511 410 S N 1.133 116.886 115.700 0.089 0.000 2.541 410 S HA 0.612 5.081 4.470 -0.002 0.000 0.283 410 S C 0.249 174.873 174.600 0.040 0.000 1.196 410 S CA -0.585 57.650 58.200 0.059 0.000 1.062 410 S CB 1.630 64.857 63.200 0.044 0.000 1.009 410 S HN 0.246 nan 8.310 nan 0.000 0.502 411 T N 2.190 116.763 114.554 0.032 0.000 2.876 411 T HA 0.572 4.921 4.350 -0.002 0.000 0.289 411 T C -0.648 174.066 174.700 0.023 0.000 1.014 411 T CA -0.558 61.558 62.100 0.027 0.000 0.986 411 T CB 1.682 70.566 68.868 0.026 0.000 1.021 411 T HN 0.473 nan 8.240 nan 0.000 0.458 412 T N 3.494 118.062 114.554 0.023 0.000 2.864 412 T HA 0.497 4.846 4.350 -0.002 0.000 0.299 412 T C -0.498 174.217 174.700 0.025 0.000 1.011 412 T CA -0.530 61.585 62.100 0.024 0.000 0.975 412 T CB 0.333 69.215 68.868 0.023 0.000 0.962 412 T HN 0.332 nan 8.240 nan 0.000 0.448 413 L N 3.235 124.476 121.223 0.030 0.000 2.295 413 L HA 0.537 4.876 4.340 -0.002 0.000 0.285 413 L C 0.312 177.205 176.870 0.038 0.000 1.035 413 L CA -0.692 54.166 54.840 0.031 0.000 0.806 413 L CB 1.436 43.515 42.059 0.034 0.000 1.214 413 L HN 0.526 nan 8.230 nan 0.000 0.426 414 T N 2.714 117.287 114.554 0.032 0.000 2.770 414 T HA 0.513 4.861 4.350 -0.002 0.000 0.283 414 T C -0.091 174.631 174.700 0.037 0.000 0.988 414 T CA -0.374 61.746 62.100 0.034 0.000 0.957 414 T CB 1.882 70.758 68.868 0.014 0.000 0.930 414 T HN 0.163 nan 8.240 nan 0.000 0.443 415 V N 2.160 122.107 119.914 0.055 0.000 2.769 415 V HA 0.879 4.997 4.120 -0.002 0.000 0.312 415 V C 0.611 176.727 176.094 0.036 0.000 1.058 415 V CA -0.728 61.611 62.300 0.064 0.000 0.952 415 V CB 2.158 34.052 31.823 0.119 0.000 1.019 415 V HN 1.014 nan 8.190 nan 0.000 0.445 416 G N 1.281 110.084 108.800 0.005 0.000 2.513 416 G HA2 0.722 4.681 3.960 -0.002 0.000 0.317 416 G HA3 0.722 4.681 3.960 -0.002 0.000 0.317 416 G C -0.884 173.926 174.900 -0.150 0.000 1.277 416 G CA -0.308 44.766 45.100 -0.043 0.000 0.955 416 G HN 1.206 nan 8.290 nan 0.000 0.484 417 A N 1.568 124.257 122.820 -0.219 0.000 2.768 417 A HA 0.770 5.089 4.320 -0.002 0.000 0.298 417 A C 0.781 178.257 177.584 -0.181 0.000 1.159 417 A CA 0.599 52.355 52.037 -0.469 0.000 0.783 417 A CB 0.265 18.568 19.000 -1.161 0.000 1.333 417 A HN 2.597 nan 8.150 nan 0.000 0.412 418 G N 1.910 110.644 108.800 -0.109 0.000 2.591 418 G HA2 -0.323 3.635 3.960 -0.002 0.000 0.298 418 G HA3 -0.323 3.635 3.960 -0.002 0.000 0.298 418 G C 0.545 175.442 174.900 -0.005 0.000 1.195 418 G CA 0.699 45.788 45.100 -0.019 0.000 0.989 418 G HN 0.645 nan 8.290 nan 0.000 0.551 419 D N 0.661 121.067 120.400 0.010 0.000 2.363 419 D HA 0.164 4.802 4.640 -0.002 0.000 0.220 419 D C 0.681 176.811 176.300 -0.284 0.000 0.994 419 D CA 0.712 54.615 54.000 -0.161 0.000 0.890 419 D CB 0.031 40.661 40.800 -0.283 0.000 0.906 419 D HN 0.154 nan 8.370 nan 0.000 0.530 420 F N 0.480 120.357 119.950 -0.122 0.000 2.432 420 F HA 0.384 4.910 4.527 -0.002 0.000 0.329 420 F C 0.888 176.628 175.800 -0.099 0.000 1.076 420 F CA -0.868 57.055 58.000 -0.128 0.000 1.018 420 F CB 1.327 40.201 39.000 -0.210 0.000 1.201 420 F HN -0.465 nan 8.300 nan 0.000 0.489 421 R N 2.157 122.761 120.500 0.172 0.000 2.534 421 R HA 0.755 5.094 4.340 -0.002 0.000 0.301 421 R C -1.959 174.439 176.300 0.163 0.000 0.961 421 R CA -0.648 55.524 56.100 0.120 0.000 0.871 421 R CB 1.154 31.497 30.300 0.071 0.000 1.170 421 R HN 0.635 nan 8.270 nan 0.000 0.446 422 L N 2.450 123.747 121.223 0.123 0.000 2.309 422 L HA 0.642 4.981 4.340 -0.002 0.000 0.261 422 L C -0.798 176.139 176.870 0.112 0.000 1.021 422 L CA -0.817 54.099 54.840 0.127 0.000 0.823 422 L CB 1.832 43.969 42.059 0.130 0.000 1.366 422 L HN 0.479 nan 8.230 nan 0.000 0.423 423 K N 0.473 120.936 120.400 0.106 0.000 2.477 423 K HA 0.943 5.262 4.320 -0.002 0.000 0.255 423 K C -1.798 174.843 176.600 0.068 0.000 0.952 423 K CA -0.389 55.948 56.287 0.085 0.000 0.826 423 K CB 2.370 34.924 32.500 0.091 0.000 1.331 423 K HN 0.710 nan 8.250 nan 0.000 0.437 424 A N 2.814 125.666 122.820 0.053 0.000 2.455 424 A HA 0.756 5.075 4.320 -0.002 0.000 0.300 424 A C -1.382 176.221 177.584 0.033 0.000 1.040 424 A CA -0.768 51.294 52.037 0.041 0.000 0.697 424 A CB 1.364 20.385 19.000 0.035 0.000 1.265 424 A HN 0.510 nan 8.150 nan 0.000 0.407 425 R N 1.009 121.524 120.500 0.026 0.000 2.561 425 R HA 0.691 5.030 4.340 -0.002 0.000 0.297 425 R C -0.284 176.022 176.300 0.011 0.000 0.969 425 R CA -0.149 55.962 56.100 0.018 0.000 0.879 425 R CB 2.303 32.611 30.300 0.014 0.000 1.178 425 R HN 1.114 nan 8.270 nan 0.000 0.445 426 G N 1.560 110.367 108.800 0.011 0.000 2.708 426 G HA2 0.699 4.657 3.960 -0.002 0.000 0.289 426 G HA3 0.699 4.657 3.960 -0.002 0.000 0.289 426 G C -1.469 173.439 174.900 0.013 0.000 1.416 426 G CA -0.776 44.329 45.100 0.009 0.000 0.829 426 G HN 0.565 nan 8.290 nan 0.000 0.480 427 R N -1.301 119.212 120.500 0.022 0.000 2.664 427 R HA 0.680 5.019 4.340 -0.002 0.000 0.266 427 R C -2.216 174.143 176.300 0.098 0.000 1.046 427 R CA -0.892 55.242 56.100 0.057 0.000 0.885 427 R CB 1.659 31.973 30.300 0.024 0.000 1.254 427 R HN 0.673 nan 8.270 nan 0.000 0.465 428 I N 2.424 123.078 120.570 0.138 0.000 2.465 428 I HA 0.342 4.511 4.170 -0.002 0.000 0.291 428 I C -1.075 175.141 176.117 0.166 0.000 1.014 428 I CA -1.412 59.963 61.300 0.125 0.000 1.093 428 I CB 1.860 39.901 38.000 0.068 0.000 1.267 428 I HN 0.719 nan 8.210 nan 0.000 0.431 429 L N 7.954 129.252 121.223 0.125 0.000 2.410 429 L HA 0.353 4.691 4.340 -0.002 0.000 0.273 429 L C 1.080 177.905 176.870 -0.076 0.000 1.144 429 L CA 0.717 55.528 54.840 -0.049 0.000 0.863 429 L CB 0.409 42.424 42.059 -0.073 0.000 1.140 429 L HN 0.810 nan 8.230 nan 0.000 0.463 430 R N 4.175 124.593 120.500 -0.136 0.000 2.103 430 R HA 0.136 4.474 4.340 -0.002 0.000 0.212 430 R C -0.676 175.635 176.300 0.018 0.000 1.107 430 R CA 0.260 56.334 56.100 -0.043 0.000 1.025 430 R CB 0.310 30.594 30.300 -0.026 0.000 0.929 430 R HN 0.535 nan 8.270 nan 0.000 0.456 431 F N 2.057 121.853 119.950 -0.257 0.000 2.630 431 F HA 0.193 4.719 4.527 -0.002 0.000 0.325 431 F C -0.384 175.233 175.800 -0.306 0.000 1.184 431 F CA -1.592 56.262 58.000 -0.243 0.000 1.011 431 F CB 1.604 40.463 39.000 -0.235 0.000 1.268 431 F HN 0.090 nan 8.300 nan 0.000 0.480 432 D N 3.087 122.981 120.400 -0.845 0.000 2.144 432 D HA 0.132 4.771 4.640 -0.002 0.000 0.199 432 D C 1.627 177.381 176.300 -0.911 0.000 0.984 432 D CA 1.515 55.062 54.000 -0.755 0.000 0.834 432 D CB -0.674 39.846 40.800 -0.467 0.000 0.955 432 D HN 0.993 nan 8.370 nan 0.000 0.465 433 G N 1.132 109.045 108.800 -1.479 0.000 2.622 433 G HA2 -0.400 3.558 3.960 -0.002 0.000 0.307 433 G HA3 -0.400 3.558 3.960 -0.002 0.000 0.307 433 G C 1.077 175.840 174.900 -0.228 0.000 1.226 433 G CA 1.294 45.922 45.100 -0.787 0.000 0.997 433 G HN 0.524 nan 8.290 nan 0.000 0.551 434 W N 1.171 122.392 121.300 -0.131 0.000 2.364 434 W HA -0.101 4.558 4.660 -0.003 0.000 0.281 434 W C 2.154 178.569 176.519 -0.173 0.000 1.219 434 W CA 3.148 60.412 57.345 -0.135 0.000 1.220 434 W CB -1.842 27.560 29.460 -0.097 0.000 1.127 434 W HN 0.962 nan 8.180 nan 0.000 0.556 435 T N -1.292 112.564 114.554 -1.164 0.000 3.051 435 T HA -0.125 4.224 4.350 -0.002 0.000 0.269 435 T C 1.710 176.097 174.700 -0.523 0.000 1.127 435 T CA 1.071 62.532 62.100 -1.066 0.000 1.107 435 T CB -0.298 67.947 68.868 -1.039 0.000 0.898 435 T HN -0.035 nan 8.240 nan 0.000 0.517 436 K N 1.415 121.543 120.400 -0.453 0.000 2.147 436 K HA -0.045 4.274 4.320 -0.002 0.000 0.205 436 K C 2.322 178.716 176.600 -0.344 0.000 1.049 436 K CA 1.459 57.507 56.287 -0.398 0.000 0.936 436 K CB -0.574 31.587 32.500 -0.566 0.000 0.722 436 K HN 0.578 nan 8.250 nan 0.000 0.446 437 V N -1.126 118.569 119.914 -0.366 0.000 2.871 437 V HA 0.007 4.126 4.120 -0.002 0.000 0.256 437 V C 1.272 177.391 176.094 0.041 0.000 1.082 437 V CA 0.264 62.502 62.300 -0.103 0.000 1.105 437 V CB -0.364 31.413 31.823 -0.076 0.000 0.713 437 V HN -0.015 nan 8.190 nan 0.000 0.473 438 M N 0.799 120.376 119.600 -0.037 0.000 2.247 438 M HA 0.474 4.953 4.480 -0.002 0.000 0.326 438 M C -2.146 174.149 176.300 -0.008 0.000 1.134 438 M CA -2.644 52.659 55.300 0.005 0.000 1.136 438 M CB -0.370 32.207 32.600 -0.038 0.000 1.454 438 M HN 0.041 nan 8.290 nan 0.000 0.467 439 P HA 0.089 nan 4.420 nan 0.000 0.267 439 P C -0.728 176.561 177.300 -0.020 0.000 1.201 439 P CA -0.039 63.068 63.100 0.012 0.000 0.775 439 P CB 0.293 32.005 31.700 0.021 0.000 0.854 440 A N 2.267 125.078 122.820 -0.014 0.000 2.492 440 A HA 0.084 4.403 4.320 -0.002 0.000 0.236 440 A C 0.407 177.975 177.584 -0.027 0.000 1.078 440 A CA -0.044 51.977 52.037 -0.028 0.000 0.773 440 A CB -0.474 18.518 19.000 -0.014 0.000 1.023 440 A HN 0.531 nan 8.150 nan 0.000 0.504 449 I N 4.698 125.277 120.570 0.016 0.000 2.359 449 I HA 0.288 4.457 4.170 -0.002 0.000 0.284 449 I C 0.115 176.242 176.117 0.017 0.000 1.018 449 I CA -0.681 60.631 61.300 0.021 0.000 1.173 449 I CB 1.053 39.066 38.000 0.023 0.000 1.326 449 I HN 0.348 nan 8.210 nan 0.000 0.462 450 L N 7.896 129.129 121.223 0.018 0.000 2.439 450 L HA 0.297 4.636 4.340 -0.002 0.000 0.269 450 L C -1.740 175.139 176.870 0.015 0.000 1.179 450 L CA -1.515 53.335 54.840 0.016 0.000 0.828 450 L CB 0.027 42.097 42.059 0.018 0.000 1.106 450 L HN 0.356 nan 8.230 nan 0.000 0.467 451 P HA 0.199 nan 4.420 nan 0.000 0.276 451 P C -0.890 176.417 177.300 0.012 0.000 1.244 451 P CA -0.567 62.539 63.100 0.010 0.000 0.801 451 P CB 1.007 32.711 31.700 0.006 0.000 1.006 452 A N 1.679 124.506 122.820 0.012 0.000 2.440 452 A HA 0.512 4.831 4.320 -0.002 0.000 0.251 452 A C 0.348 177.939 177.584 0.012 0.000 1.089 452 A CA -0.053 51.992 52.037 0.013 0.000 0.779 452 A CB -0.277 18.730 19.000 0.012 0.000 1.022 452 A HN 0.526 nan 8.150 nan 0.000 0.492 453 V N 0.268 120.190 119.914 0.014 0.000 3.216 453 V HA 0.707 4.826 4.120 -0.002 0.000 0.302 453 V C -0.837 175.266 176.094 0.015 0.000 1.286 453 V CA -1.209 61.099 62.300 0.014 0.000 1.048 453 V CB 1.658 33.491 31.823 0.018 0.000 1.081 453 V HN 0.922 nan 8.190 nan 0.000 0.442 454 N N 0.289 118.998 118.700 0.015 0.000 2.381 454 N HA 0.521 5.260 4.740 -0.002 0.000 0.294 454 N C -1.173 174.347 175.510 0.015 0.000 1.216 454 N CA -1.023 52.035 53.050 0.013 0.000 0.803 454 N CB 2.023 40.516 38.487 0.011 0.000 1.372 454 N HN 0.900 nan 8.380 nan 0.000 0.500 455 K N 0.172 120.580 120.400 0.013 0.000 2.436 455 K HA 0.184 4.503 4.320 -0.002 0.000 0.275 455 K C 0.819 177.427 176.600 0.013 0.000 0.999 455 K CA 0.967 57.262 56.287 0.013 0.000 0.980 455 K CB 0.077 32.582 32.500 0.009 0.000 0.919 455 K HN 0.738 nan 8.250 nan 0.000 0.484 456 G N 2.666 111.475 108.800 0.014 0.000 2.225 456 G HA2 -0.229 3.730 3.960 -0.002 0.000 0.254 456 G HA3 -0.229 3.730 3.960 -0.002 0.000 0.254 456 G C -0.362 174.549 174.900 0.019 0.000 0.988 456 G CA 0.229 45.337 45.100 0.014 0.000 0.625 456 G HN 0.722 nan 8.290 nan 0.000 0.527 457 D N 1.379 121.791 120.400 0.021 0.000 2.414 457 D HA 0.570 5.209 4.640 -0.002 0.000 0.242 457 D C 0.812 177.133 176.300 0.035 0.000 1.129 457 D CA 1.011 55.026 54.000 0.024 0.000 0.885 457 D CB 1.169 41.982 40.800 0.022 0.000 1.198 457 D HN 0.739 nan 8.370 nan 0.000 0.437 458 A N 2.498 125.339 122.820 0.035 0.000 2.302 458 A HA 0.701 5.020 4.320 -0.002 0.000 0.285 458 A C -0.531 177.083 177.584 0.050 0.000 1.105 458 A CA -0.493 51.574 52.037 0.050 0.000 0.816 458 A CB 0.457 19.482 19.000 0.042 0.000 1.067 458 A HN 0.552 nan 8.150 nan 0.000 0.489 459 L N 0.589 121.857 121.223 0.075 0.000 2.401 459 L HA 0.487 4.826 4.340 -0.002 0.000 0.266 459 L C -0.391 176.485 176.870 0.011 0.000 0.991 459 L CA -0.634 54.226 54.840 0.033 0.000 0.818 459 L CB 2.531 44.612 42.059 0.036 0.000 1.321 459 L HN 0.631 nan 8.230 nan 0.000 0.413 460 T N 2.865 117.389 114.554 -0.050 0.000 2.767 460 T HA 0.397 4.745 4.350 -0.002 0.000 0.288 460 T C -0.334 174.256 174.700 -0.183 0.000 0.963 460 T CA -0.362 61.695 62.100 -0.071 0.000 1.019 460 T CB 1.350 70.190 68.868 -0.048 0.000 0.923 460 T HN 0.248 nan 8.240 nan 0.000 0.468 461 L N 5.289 126.362 121.223 -0.251 0.000 2.360 461 L HA 0.257 4.596 4.340 -0.002 0.000 0.276 461 L C 0.812 177.571 176.870 -0.185 0.000 1.121 461 L CA 0.499 55.117 54.840 -0.369 0.000 0.845 461 L CB 0.563 42.380 42.059 -0.404 0.000 1.143 461 L HN 0.548 nan 8.230 nan 0.000 0.452 462 V N 2.795 122.608 119.914 -0.168 0.000 2.922 462 V HA 0.310 4.428 4.120 -0.002 0.000 0.242 462 V C 0.247 176.293 176.094 -0.080 0.000 1.094 462 V CA 0.541 62.781 62.300 -0.100 0.000 1.106 462 V CB -0.032 31.741 31.823 -0.083 0.000 0.799 462 V HN 0.851 nan 8.190 nan 0.000 0.474 463 E N -1.008 119.136 120.200 -0.093 0.000 2.380 463 E HA 0.523 4.872 4.350 -0.002 0.000 0.281 463 E C -1.853 174.709 176.600 -0.064 0.000 0.999 463 E CA -0.382 55.981 56.400 -0.062 0.000 0.800 463 E CB 1.540 31.215 29.700 -0.042 0.000 1.228 463 E HN 0.108 nan 8.360 nan 0.000 0.436 464 L N 2.534 123.733 121.223 -0.039 0.000 2.333 464 L HA 0.636 4.974 4.340 -0.002 0.000 0.280 464 L C -0.787 176.085 176.870 0.004 0.000 1.004 464 L CA -0.489 54.336 54.840 -0.025 0.000 0.820 464 L CB 2.247 44.289 42.059 -0.028 0.000 1.247 464 L HN 0.576 nan 8.230 nan 0.000 0.416 465 T N 3.196 117.765 114.554 0.025 0.000 3.064 465 T HA 0.341 4.690 4.350 -0.002 0.000 0.367 465 T C -2.530 172.224 174.700 0.090 0.000 1.202 465 T CA -1.260 60.868 62.100 0.046 0.000 1.133 465 T CB 1.124 70.011 68.868 0.031 0.000 1.074 465 T HN 0.204 nan 8.240 nan 0.000 0.519 466 P HA 0.491 nan 4.420 nan 0.000 0.269 466 P C -1.053 176.376 177.300 0.214 0.000 1.209 466 P CA -0.355 62.881 63.100 0.227 0.000 0.776 466 P CB 0.567 32.401 31.700 0.224 0.000 0.876 467 A N 1.887 124.828 122.820 0.201 0.000 2.402 467 A HA 0.366 4.685 4.320 -0.002 0.000 0.291 467 A C -0.762 176.376 177.584 -0.743 0.000 1.051 467 A CA -0.590 51.311 52.037 -0.227 0.000 0.716 467 A CB 0.969 19.796 19.000 -0.289 0.000 1.223 467 A HN 0.509 nan 8.150 nan 0.000 0.425 468 Q N 1.611 120.653 119.800 -1.263 0.000 2.314 468 Q HA 0.480 4.819 4.340 -0.002 0.000 0.258 468 Q C -0.903 174.196 176.000 -1.503 0.000 0.954 468 Q CA 0.219 54.865 55.803 -1.927 0.000 0.890 468 Q CB 0.445 28.092 28.738 -1.818 0.000 1.210 468 Q HN 0.860 nan 8.270 nan 0.000 0.410 469 H N 1.742 120.066 119.070 -1.244 0.000 2.928 469 H HA 0.516 5.070 4.556 -0.002 0.000 0.371 469 H C -1.413 173.227 175.328 -1.146 0.000 1.186 469 H CA -0.809 54.447 56.048 -1.319 0.000 1.134 469 H CB 1.335 30.154 29.762 -1.572 0.000 1.824 469 H HN 0.540 nan 8.280 nan 0.000 0.554 470 F N -1.011 118.722 119.950 -0.362 0.000 2.556 470 F HA 0.454 4.980 4.527 -0.002 0.000 0.314 470 F C 0.188 176.123 175.800 0.226 0.000 1.106 470 F CA -1.395 56.563 58.000 -0.071 0.000 0.911 470 F CB 0.556 39.538 39.000 -0.029 0.000 1.190 470 F HN 0.450 nan 8.300 nan 0.000 0.448 471 T N 0.048 114.989 114.554 0.644 0.000 2.900 471 T HA 0.408 4.757 4.350 -0.002 0.000 0.307 471 T C -0.517 174.535 174.700 0.587 0.000 1.065 471 T CA -0.783 61.663 62.100 0.577 0.000 1.105 471 T CB 0.665 69.820 68.868 0.478 0.000 0.979 471 T HN 0.754 nan 8.240 nan 0.000 0.544 472 K N 2.139 122.768 120.400 0.382 0.000 2.267 472 K HA 0.543 4.861 4.320 -0.002 0.000 0.246 472 K C -2.652 173.653 176.600 -0.492 0.000 0.954 472 K CA -2.300 54.091 56.287 0.174 0.000 0.824 472 K CB 1.713 34.274 32.500 0.101 0.000 1.167 472 K HN 0.462 nan 8.250 nan 0.000 0.431 473 P HA 0.208 nan 4.420 nan 0.000 0.275 473 P C -2.531 174.385 177.300 -0.639 0.000 1.266 473 P CA -1.328 60.935 63.100 -1.395 0.000 0.793 473 P CB -0.684 30.629 31.700 -0.645 0.000 1.074 474 P HA 0.066 nan 4.420 nan 0.000 0.264 474 P C -0.266 176.861 177.300 -0.288 0.000 1.183 474 P CA 0.465 63.365 63.100 -0.333 0.000 0.763 474 P CB -0.090 31.440 31.700 -0.284 0.000 0.807 475 A N 4.348 127.014 122.820 -0.257 0.000 2.462 475 A HA 0.118 4.437 4.320 -0.002 0.000 0.243 475 A C 0.617 178.030 177.584 -0.285 0.000 1.076 475 A CA -0.106 51.800 52.037 -0.219 0.000 0.773 475 A CB -0.022 18.875 19.000 -0.172 0.000 1.010 475 A HN 0.485 nan 8.150 nan 0.000 0.493 476 R N 0.265 120.635 120.500 -0.217 0.000 2.738 476 R HA 0.227 4.566 4.340 -0.002 0.000 0.268 476 R C -0.897 175.298 176.300 -0.175 0.000 1.062 476 R CA 0.108 56.075 56.100 -0.223 0.000 1.158 476 R CB 0.233 30.419 30.300 -0.190 0.000 1.046 476 R HN 0.622 nan 8.270 nan 0.000 0.493 477 F N 0.365 120.303 119.950 -0.021 0.000 2.429 477 F HA 0.056 4.581 4.527 -0.002 0.000 0.348 477 F C 1.209 177.116 175.800 0.178 0.000 1.109 477 F CA 0.246 58.242 58.000 -0.006 0.000 1.232 477 F CB 0.891 39.794 39.000 -0.162 0.000 1.157 477 F HN 0.484 nan 8.300 nan 0.000 0.564 478 S N 0.950 116.864 115.700 0.356 0.000 2.768 478 S HA 0.368 4.837 4.470 -0.002 0.000 0.300 478 S C 0.787 175.637 174.600 0.416 0.000 1.122 478 S CA -0.832 57.577 58.200 0.349 0.000 0.995 478 S CB 1.238 64.542 63.200 0.174 0.000 1.195 478 S HN 0.668 nan 8.310 nan 0.000 0.547 479 E N 0.352 120.792 120.200 0.400 0.000 2.106 479 E HA -0.103 4.246 4.350 -0.002 0.000 0.192 479 E C 2.206 178.872 176.600 0.109 0.000 0.984 479 E CA 1.130 57.730 56.400 0.333 0.000 0.806 479 E CB -0.388 29.461 29.700 0.249 0.000 0.750 479 E HN 0.704 nan 8.360 nan 0.000 0.458 480 A N 1.368 124.239 122.820 0.084 0.000 1.855 480 A HA -0.155 4.164 4.320 -0.002 0.000 0.215 480 A C 2.385 179.971 177.584 0.004 0.000 1.191 480 A CA 1.664 53.709 52.037 0.013 0.000 0.613 480 A CB -0.486 18.520 19.000 0.011 0.000 0.829 480 A HN 0.204 nan 8.150 nan 0.000 0.442 481 S N -0.019 115.721 115.700 0.066 0.000 2.400 481 S HA -0.170 4.298 4.470 -0.002 0.000 0.232 481 S C 1.780 176.443 174.600 0.104 0.000 1.025 481 S CA 1.475 59.740 58.200 0.109 0.000 0.993 481 S CB -0.494 62.816 63.200 0.184 0.000 0.808 481 S HN 0.410 nan 8.310 nan 0.000 0.478 482 L N 1.969 123.168 121.223 -0.040 0.000 2.056 482 L HA 0.051 4.389 4.340 -0.002 0.000 0.207 482 L C 2.308 179.008 176.870 -0.284 0.000 1.078 482 L CA 1.321 55.930 54.840 -0.385 0.000 0.749 482 L CB -0.712 40.885 42.059 -0.769 0.000 0.901 482 L HN 0.140 nan 8.230 nan 0.000 0.433 483 V N 0.135 119.923 119.914 -0.210 0.000 2.287 483 V HA -0.331 3.788 4.120 -0.002 0.000 0.248 483 V C 2.673 178.587 176.094 -0.300 0.000 1.053 483 V CA 2.157 64.295 62.300 -0.270 0.000 1.027 483 V CB -0.753 30.904 31.823 -0.277 0.000 0.646 483 V HN 0.529 nan 8.190 nan 0.000 0.447 484 K N -0.093 120.188 120.400 -0.199 0.000 2.063 484 K HA -0.285 4.034 4.320 -0.002 0.000 0.208 484 K C 2.161 178.694 176.600 -0.111 0.000 1.048 484 K CA 2.124 58.323 56.287 -0.147 0.000 0.928 484 K CB -0.065 32.389 32.500 -0.076 0.000 0.713 484 K HN 0.444 nan 8.250 nan 0.000 0.442 485 E N 0.901 121.045 120.200 -0.094 0.000 2.072 485 E HA -0.103 4.245 4.350 -0.002 0.000 0.191 485 E C 2.002 178.529 176.600 -0.121 0.000 0.985 485 E CA 1.051 57.402 56.400 -0.082 0.000 0.801 485 E CB -0.163 29.511 29.700 -0.044 0.000 0.750 485 E HN 0.333 nan 8.360 nan 0.000 0.452 486 L N 0.449 121.591 121.223 -0.135 0.000 2.083 486 L HA -0.130 4.208 4.340 -0.002 0.000 0.209 486 L C 2.643 179.538 176.870 0.042 0.000 1.083 486 L CA 1.575 56.385 54.840 -0.050 0.000 0.752 486 L CB -0.416 41.656 42.059 0.021 0.000 0.899 486 L HN 0.276 nan 8.230 nan 0.000 0.433 487 E N 0.764 120.963 120.200 -0.002 0.000 2.028 487 E HA -0.279 4.069 4.350 -0.002 0.000 0.191 487 E C 2.220 178.827 176.600 0.010 0.000 0.988 487 E CA 1.206 57.632 56.400 0.042 0.000 0.799 487 E CB 0.062 29.702 29.700 -0.100 0.000 0.755 487 E HN 0.274 nan 8.360 nan 0.000 0.447 488 K N 0.311 120.692 120.400 -0.033 0.000 2.152 488 K HA -0.148 4.171 4.320 -0.002 0.000 0.206 488 K C 1.873 178.451 176.600 -0.037 0.000 1.048 488 K CA 1.329 57.596 56.287 -0.034 0.000 0.933 488 K CB 0.056 32.528 32.500 -0.046 0.000 0.721 488 K HN 0.039 nan 8.250 nan 0.000 0.447 489 R N -1.127 119.342 120.500 -0.052 0.000 2.317 489 R HA 0.090 4.428 4.340 -0.002 0.000 0.208 489 R C 0.839 177.129 176.300 -0.018 0.000 0.914 489 R CA 0.525 56.588 56.100 -0.061 0.000 1.060 489 R CB 0.602 30.814 30.300 -0.147 0.000 1.015 489 R HN 0.412 nan 8.270 nan 0.000 0.498 490 G N 1.337 110.140 108.800 0.005 0.000 2.153 490 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.252 490 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.252 490 G C 0.695 175.605 174.900 0.017 0.000 0.994 490 G CA 0.091 45.201 45.100 0.016 0.000 0.698 490 G HN 0.191 nan 8.290 nan 0.000 0.521 491 I N 0.884 121.468 120.570 0.023 0.000 2.364 491 I HA 0.192 4.361 4.170 -0.002 0.000 0.241 491 I C 2.254 178.369 176.117 -0.003 0.000 1.082 491 I CA 1.456 62.768 61.300 0.019 0.000 1.401 491 I CB -1.584 36.427 38.000 0.018 0.000 1.126 491 I HN 0.256 nan 8.210 nan 0.000 0.429 492 G N 1.449 110.284 108.800 0.059 0.000 2.562 492 G HA2 0.448 4.407 3.960 -0.002 0.000 0.275 492 G HA3 0.448 4.407 3.960 -0.002 0.000 0.275 492 G C -0.124 174.538 174.900 -0.397 0.000 1.196 492 G CA -0.209 44.846 45.100 -0.074 0.000 0.908 492 G HN 0.057 nan 8.290 nan 0.000 0.524 493 R N -0.000 119.955 120.500 -0.908 0.000 2.836 493 R HA 0.352 4.691 4.340 -0.002 0.000 0.269 493 R C -2.022 173.571 176.300 -1.177 0.000 1.010 493 R CA -2.200 53.430 56.100 -0.783 0.000 0.930 493 R CB 1.158 31.226 30.300 -0.387 0.000 1.218 493 R HN 0.161 nan 8.270 nan 0.000 0.473 494 P HA -0.166 nan 4.420 nan 0.000 0.216 494 P C 0.997 178.140 177.300 -0.262 0.000 1.150 494 P CA 1.702 64.617 63.100 -0.308 0.000 0.843 494 P CB 0.272 31.884 31.700 -0.145 0.000 0.787 495 S N -2.351 113.194 115.700 -0.257 0.000 2.522 495 S HA -0.040 4.428 4.470 -0.002 0.000 0.227 495 S C 1.648 176.156 174.600 -0.154 0.000 0.986 495 S CA 1.350 59.452 58.200 -0.164 0.000 0.929 495 S CB -1.411 61.715 63.200 -0.123 0.000 0.769 495 S HN 0.279 nan 8.310 nan 0.000 0.529 496 T N -2.870 111.531 114.554 -0.254 0.000 2.999 496 T HA 0.203 4.552 4.350 -0.002 0.000 0.247 496 T C 1.403 176.047 174.700 -0.094 0.000 1.012 496 T CA -0.057 61.938 62.100 -0.175 0.000 1.048 496 T CB -0.708 68.047 68.868 -0.187 0.000 1.020 496 T HN 0.169 nan 8.240 nan 0.000 0.478 497 Y N 2.944 123.216 120.300 -0.047 0.000 2.038 497 Y HA -0.214 4.334 4.550 -0.002 0.000 0.266 497 Y C 3.093 178.974 175.900 -0.032 0.000 1.220 497 Y CA 1.313 59.384 58.100 -0.049 0.000 1.107 497 Y CB -1.436 36.990 38.460 -0.056 0.000 0.932 497 Y HN 0.437 nan 8.280 nan 0.000 0.500 498 A N -0.720 122.192 122.820 0.152 0.000 1.968 498 A HA -0.104 4.215 4.320 -0.002 0.000 0.217 498 A C 2.387 180.013 177.584 0.069 0.000 1.169 498 A CA 1.642 53.735 52.037 0.093 0.000 0.638 498 A CB -0.934 18.108 19.000 0.070 0.000 0.812 498 A HN 0.529 nan 8.150 nan 0.000 0.446 499 S N 0.105 115.834 115.700 0.049 0.000 2.406 499 S HA -0.047 4.421 4.470 -0.002 0.000 0.228 499 S C 1.828 176.458 174.600 0.051 0.000 1.020 499 S CA 1.154 59.380 58.200 0.042 0.000 0.965 499 S CB -0.664 62.551 63.200 0.025 0.000 0.798 499 S HN 0.464 nan 8.310 nan 0.000 0.488 500 I N 0.936 121.534 120.570 0.046 0.000 2.142 500 I HA -0.125 4.044 4.170 -0.002 0.000 0.240 500 I C 2.310 178.467 176.117 0.067 0.000 1.078 500 I CA 1.105 62.433 61.300 0.047 0.000 1.343 500 I CB -0.425 37.593 38.000 0.031 0.000 1.046 500 I HN 0.212 nan 8.210 nan 0.000 0.405 501 I N 0.498 121.112 120.570 0.073 0.000 2.163 501 I HA -0.303 3.865 4.170 -0.002 0.000 0.243 501 I C 2.638 178.845 176.117 0.150 0.000 1.085 501 I CA 1.660 63.026 61.300 0.110 0.000 1.347 501 I CB -0.421 37.647 38.000 0.114 0.000 1.044 501 I HN 0.089 nan 8.210 nan 0.000 0.408 502 S N -0.860 114.906 115.700 0.110 0.000 2.387 502 S HA -0.135 4.334 4.470 -0.002 0.000 0.226 502 S C 2.041 176.697 174.600 0.092 0.000 1.026 502 S CA 1.571 59.829 58.200 0.095 0.000 0.972 502 S CB -0.368 62.873 63.200 0.068 0.000 0.814 502 S HN 0.467 nan 8.310 nan 0.000 0.477 503 T N 3.516 118.124 114.554 0.090 0.000 2.708 503 T HA -0.053 4.296 4.350 -0.002 0.000 0.266 503 T C 1.868 176.644 174.700 0.127 0.000 1.037 503 T CA 1.509 63.665 62.100 0.093 0.000 1.146 503 T CB -0.538 68.384 68.868 0.089 0.000 0.865 503 T HN 0.635 nan 8.240 nan 0.000 0.435 504 I N -0.335 120.333 120.570 0.164 0.000 2.454 504 I HA -0.167 4.001 4.170 -0.002 0.000 0.254 504 I C 2.284 178.530 176.117 0.214 0.000 1.156 504 I CA 1.431 62.876 61.300 0.241 0.000 1.433 504 I CB -0.527 37.603 38.000 0.217 0.000 1.082 504 I HN 0.248 nan 8.210 nan 0.000 0.432 505 Q N 1.424 121.323 119.800 0.164 0.000 2.008 505 Q HA -0.148 4.191 4.340 -0.002 0.000 0.196 505 Q C 1.918 177.948 176.000 0.050 0.000 0.973 505 Q CA 1.839 57.712 55.803 0.116 0.000 0.826 505 Q CB -0.061 28.732 28.738 0.092 0.000 0.894 505 Q HN 0.526 nan 8.270 nan 0.000 0.439 506 D N 0.556 120.979 120.400 0.038 0.000 2.190 506 D HA -0.162 4.476 4.640 -0.002 0.000 0.200 506 D C 1.217 177.492 176.300 -0.042 0.000 0.992 506 D CA 1.137 55.139 54.000 0.003 0.000 0.854 506 D CB -0.188 40.621 40.800 0.014 0.000 0.936 506 D HN 0.168 nan 8.370 nan 0.000 0.462 507 R N -0.069 120.390 120.500 -0.067 0.000 2.325 507 R HA 0.193 4.531 4.340 -0.002 0.000 0.214 507 R C 1.135 177.174 176.300 -0.436 0.000 0.961 507 R CA 0.437 56.400 56.100 -0.229 0.000 1.086 507 R CB 0.041 30.213 30.300 -0.214 0.000 1.037 507 R HN 0.132 nan 8.270 nan 0.000 0.493 508 G N 0.671 109.347 108.800 -0.206 0.000 2.179 508 G HA2 -0.308 3.651 3.960 -0.002 0.000 0.257 508 G HA3 -0.308 3.651 3.960 -0.002 0.000 0.257 508 G C 0.230 175.088 174.900 -0.070 0.000 1.010 508 G CA 0.356 45.373 45.100 -0.139 0.000 0.736 508 G HN 0.367 nan 8.290 nan 0.000 0.513 509 Y N -0.717 119.630 120.300 0.079 0.000 2.347 509 Y HA 0.391 4.939 4.550 -0.002 0.000 0.294 509 Y C 1.803 177.771 175.900 0.113 0.000 1.117 509 Y CA 0.722 58.876 58.100 0.088 0.000 1.184 509 Y CB 0.087 38.596 38.460 0.082 0.000 1.047 509 Y HN 0.758 nan 8.280 nan 0.000 0.546 510 V N -1.154 118.932 119.914 0.286 0.000 3.181 510 V HA 0.779 4.897 4.120 -0.002 0.000 0.308 510 V C -0.787 175.419 176.094 0.186 0.000 1.214 510 V CA -1.415 61.046 62.300 0.268 0.000 1.053 510 V CB 2.682 34.730 31.823 0.375 0.000 1.069 510 V HN 0.184 nan 8.190 nan 0.000 0.441 511 R N 0.366 120.957 120.500 0.152 0.000 2.799 511 R HA 0.896 5.235 4.340 -0.002 0.000 0.270 511 R C -2.138 174.096 176.300 -0.110 0.000 1.010 511 R CA -0.852 55.262 56.100 0.023 0.000 0.916 511 R CB 2.179 32.499 30.300 0.034 0.000 1.228 511 R HN 0.586 nan 8.270 nan 0.000 0.469 512 V N 1.693 121.478 119.914 -0.215 0.000 2.378 512 V HA 0.331 4.450 4.120 -0.002 0.000 0.288 512 V C -0.625 175.428 176.094 -0.067 0.000 1.016 512 V CA -0.477 61.642 62.300 -0.301 0.000 0.840 512 V CB 1.048 32.587 31.823 -0.473 0.000 0.994 512 V HN 0.912 nan 8.190 nan 0.000 0.431 513 E N 3.336 123.588 120.200 0.086 0.000 2.317 513 E HA 0.554 4.903 4.350 -0.002 0.000 0.270 513 E C -0.089 176.586 176.600 0.125 0.000 0.885 513 E CA -1.056 55.368 56.400 0.041 0.000 0.760 513 E CB 1.293 30.936 29.700 -0.096 0.000 1.227 513 E HN 0.305 nan 8.360 nan 0.000 0.434 514 N N 1.815 120.553 118.700 0.063 0.000 2.716 514 N HA -0.281 4.457 4.740 -0.002 0.000 0.250 514 N C -0.741 174.818 175.510 0.081 0.000 1.033 514 N CA 1.336 54.429 53.050 0.072 0.000 0.727 514 N CB -0.879 37.663 38.487 0.092 0.000 0.950 514 N HN 0.817 nan 8.380 nan 0.000 0.541 515 R N -3.638 116.896 120.500 0.057 0.000 3.953 515 R HA -0.259 4.079 4.340 -0.002 0.000 0.340 515 R C -0.445 175.900 176.300 0.074 0.000 1.195 515 R CA 1.188 57.319 56.100 0.051 0.000 0.929 515 R CB -1.279 29.056 30.300 0.059 0.000 1.402 515 R HN 0.280 nan 8.270 nan 0.000 0.540 516 R N 0.276 120.830 120.500 0.089 0.000 2.854 516 R HA 0.458 4.796 4.340 -0.002 0.000 0.271 516 R C -0.298 176.026 176.300 0.040 0.000 0.996 516 R CA -0.981 55.179 56.100 0.100 0.000 0.961 516 R CB 0.549 30.873 30.300 0.041 0.000 1.182 516 R HN -0.141 nan 8.270 nan 0.000 0.479 517 F N 1.179 121.136 119.950 0.011 0.000 2.396 517 F HA 0.334 4.860 4.527 -0.002 0.000 0.343 517 F C -0.045 175.669 175.800 -0.143 0.000 1.104 517 F CA 0.068 58.099 58.000 0.051 0.000 1.161 517 F CB 0.645 39.711 39.000 0.112 0.000 1.146 517 F HN 0.249 nan 8.300 nan 0.000 0.522 518 Y N 1.350 121.768 120.300 0.196 0.000 2.361 518 Y HA 0.586 5.134 4.550 -0.002 0.000 0.337 518 Y C 0.049 176.051 175.900 0.170 0.000 0.965 518 Y CA -1.434 56.757 58.100 0.152 0.000 1.091 518 Y CB 1.565 40.071 38.460 0.076 0.000 1.182 518 Y HN 0.679 nan 8.280 nan 0.000 0.450 519 A N 3.781 126.763 122.820 0.270 0.000 2.450 519 A HA 0.331 4.649 4.320 -0.002 0.000 0.255 519 A C 0.081 177.790 177.584 0.209 0.000 1.096 519 A CA -0.587 51.585 52.037 0.225 0.000 0.778 519 A CB 0.134 19.239 19.000 0.174 0.000 1.031 519 A HN 0.691 nan 8.150 nan 0.000 0.494 520 E N 1.818 122.135 120.200 0.195 0.000 2.345 520 E HA 0.126 4.475 4.350 -0.002 0.000 0.259 520 E C 0.337 177.024 176.600 0.145 0.000 1.117 520 E CA -0.455 56.040 56.400 0.157 0.000 0.913 520 E CB 0.775 30.566 29.700 0.150 0.000 1.057 520 E HN 0.615 nan 8.360 nan 0.000 0.432 521 K N 0.480 120.949 120.400 0.115 0.000 2.063 521 K HA -0.163 4.155 4.320 -0.002 0.000 0.208 521 K C 1.811 178.483 176.600 0.120 0.000 1.048 521 K CA 1.280 57.629 56.287 0.104 0.000 0.928 521 K CB -0.150 32.398 32.500 0.081 0.000 0.713 521 K HN 0.269 nan 8.250 nan 0.000 0.442 522 M N 0.263 119.948 119.600 0.142 0.000 2.296 522 M HA 0.019 4.498 4.480 -0.002 0.000 0.265 522 M C 1.802 178.257 176.300 0.259 0.000 1.064 522 M CA 1.484 56.895 55.300 0.185 0.000 1.109 522 M CB -0.757 31.949 32.600 0.177 0.000 1.396 522 M HN 0.198 nan 8.290 nan 0.000 0.430 523 G N -0.429 108.536 108.800 0.275 0.000 2.421 523 G HA2 -0.202 3.757 3.960 -0.002 0.000 0.216 523 G HA3 -0.202 3.757 3.960 -0.002 0.000 0.216 523 G C 1.412 176.359 174.900 0.078 0.000 1.171 523 G CA 0.890 46.116 45.100 0.209 0.000 0.775 523 G HN 0.593 nan 8.290 nan 0.000 0.543 524 E N 0.104 120.363 120.200 0.098 0.000 2.072 524 E HA -0.060 4.288 4.350 -0.002 0.000 0.191 524 E C 2.527 179.161 176.600 0.058 0.000 0.985 524 E CA 0.582 57.024 56.400 0.071 0.000 0.801 524 E CB -0.132 29.616 29.700 0.080 0.000 0.750 524 E HN 0.475 nan 8.360 nan 0.000 0.452 525 I N 0.869 121.484 120.570 0.075 0.000 2.179 525 I HA -0.260 3.908 4.170 -0.002 0.000 0.242 525 I C 2.406 178.557 176.117 0.056 0.000 1.088 525 I CA 0.944 62.286 61.300 0.070 0.000 1.357 525 I CB -0.161 37.892 38.000 0.088 0.000 1.051 525 I HN -0.041 nan 8.210 nan 0.000 0.409 526 V N 0.069 120.015 119.914 0.052 0.000 2.379 526 V HA -0.246 3.873 4.120 -0.002 0.000 0.245 526 V C 2.462 178.529 176.094 -0.045 0.000 1.044 526 V CA 2.301 64.603 62.300 0.003 0.000 1.036 526 V CB -0.861 30.945 31.823 -0.029 0.000 0.664 526 V HN 0.459 nan 8.190 nan 0.000 0.453 527 T N -0.196 114.320 114.554 -0.062 0.000 2.720 527 T HA -0.209 4.140 4.350 -0.002 0.000 0.268 527 T C 1.640 176.335 174.700 -0.008 0.000 1.037 527 T CA 1.806 63.876 62.100 -0.051 0.000 1.144 527 T CB -0.356 68.492 68.868 -0.034 0.000 0.864 527 T HN 0.465 nan 8.240 nan 0.000 0.444 528 D N 0.544 120.952 120.400 0.012 0.000 2.117 528 D HA -0.022 4.617 4.640 -0.002 0.000 0.198 528 D C 2.472 178.791 176.300 0.030 0.000 0.982 528 D CA 0.665 54.678 54.000 0.022 0.000 0.828 528 D CB -0.129 40.688 40.800 0.028 0.000 0.967 528 D HN 0.101 nan 8.370 nan 0.000 0.464 529 R N 0.583 121.106 120.500 0.038 0.000 2.080 529 R HA -0.044 4.295 4.340 -0.002 0.000 0.236 529 R C 2.592 178.950 176.300 0.096 0.000 1.137 529 R CA 0.506 56.641 56.100 0.058 0.000 0.943 529 R CB -1.242 29.096 30.300 0.064 0.000 0.846 529 R HN 0.303 nan 8.270 nan 0.000 0.431 530 L N 0.884 122.158 121.223 0.086 0.000 2.046 530 L HA -0.157 4.182 4.340 -0.002 0.000 0.208 530 L C 2.352 179.302 176.870 0.133 0.000 1.077 530 L CA 1.378 56.300 54.840 0.136 0.000 0.747 530 L CB -0.457 41.608 42.059 0.009 0.000 0.896 530 L HN 0.276 nan 8.230 nan 0.000 0.432 531 E N 0.034 120.267 120.200 0.054 0.000 2.110 531 E HA -0.236 4.113 4.350 -0.002 0.000 0.193 531 E C 2.016 178.634 176.600 0.030 0.000 0.988 531 E CA 1.259 57.677 56.400 0.029 0.000 0.804 531 E CB -0.025 29.674 29.700 -0.001 0.000 0.745 531 E HN 0.590 nan 8.360 nan 0.000 0.458 532 E N 0.442 120.660 120.200 0.030 0.000 2.072 532 E HA -0.060 4.289 4.350 -0.002 0.000 0.190 532 E C 1.734 178.315 176.600 -0.032 0.000 0.982 532 E CA 0.645 57.046 56.400 0.001 0.000 0.803 532 E CB 0.096 29.797 29.700 0.000 0.000 0.755 532 E HN 0.166 nan 8.360 nan 0.000 0.453 533 N N -0.579 118.110 118.700 -0.019 0.000 2.325 533 N HA 0.051 4.790 4.740 -0.002 0.000 0.182 533 N C -0.279 174.986 175.510 -0.408 0.000 1.088 533 N CA 0.428 53.359 53.050 -0.199 0.000 0.879 533 N CB 0.648 38.997 38.487 -0.229 0.000 0.983 533 N HN 0.042 nan 8.380 nan 0.000 0.471 534 F N 0.538 120.456 119.950 -0.053 0.000 2.577 534 F HA 0.393 4.918 4.527 -0.002 0.000 0.342 534 F C 1.452 177.228 175.800 -0.040 0.000 1.479 534 F CA -0.625 57.347 58.000 -0.047 0.000 1.110 534 F CB 0.540 39.537 39.000 -0.006 0.000 1.306 534 F HN -0.243 nan 8.300 nan 0.000 0.554 535 R N 0.944 121.481 120.500 0.063 0.000 2.103 535 R HA -0.210 4.129 4.340 -0.002 0.000 0.242 535 R C 2.156 178.493 176.300 0.062 0.000 1.142 535 R CA 2.202 58.328 56.100 0.044 0.000 0.960 535 R CB 0.043 30.352 30.300 0.016 0.000 0.858 535 R HN 0.595 nan 8.270 nan 0.000 0.439 536 E N 0.347 120.553 120.200 0.009 0.000 2.152 536 E HA -0.175 4.174 4.350 -0.002 0.000 0.192 536 E C 2.120 178.711 176.600 -0.015 0.000 0.983 536 E CA 0.633 56.976 56.400 -0.095 0.000 0.818 536 E CB -0.083 29.331 29.700 -0.475 0.000 0.758 536 E HN 0.343 nan 8.360 nan 0.000 0.467 537 L N 0.275 121.539 121.223 0.069 0.000 2.093 537 L HA -0.115 4.224 4.340 -0.002 0.000 0.208 537 L C 2.104 179.027 176.870 0.087 0.000 1.085 537 L CA 1.082 55.992 54.840 0.118 0.000 0.755 537 L CB 0.004 42.182 42.059 0.198 0.000 0.904 537 L HN 0.230 nan 8.230 nan 0.000 0.435 538 M N -0.803 118.837 119.600 0.067 0.000 2.541 538 M HA 0.045 4.524 4.480 -0.002 0.000 0.252 538 M C 0.555 176.807 176.300 -0.079 0.000 1.125 538 M CA 0.132 55.428 55.300 -0.006 0.000 1.091 538 M CB -1.427 31.156 32.600 -0.028 0.000 1.420 538 M HN 0.273 nan 8.290 nan 0.000 0.486 539 N N 0.175 118.895 118.700 0.034 0.000 2.483 539 N HA -0.064 4.675 4.740 -0.002 0.000 0.264 539 N C 0.443 176.005 175.510 0.087 0.000 1.197 539 N CA 0.135 53.211 53.050 0.044 0.000 0.927 539 N CB 0.644 39.333 38.487 0.337 0.000 1.065 539 N HN -0.049 nan 8.380 nan 0.000 0.461 540 Y N 1.465 121.815 120.300 0.083 0.000 2.163 540 Y HA -0.129 4.420 4.550 -0.002 0.000 0.288 540 Y C 1.716 177.636 175.900 0.034 0.000 1.136 540 Y CA 0.955 59.083 58.100 0.048 0.000 1.147 540 Y CB -0.243 38.230 38.460 0.022 0.000 0.987 540 Y HN 0.618 nan 8.280 nan 0.000 0.509 541 D N -0.811 119.675 120.400 0.142 0.000 2.144 541 D HA -0.135 4.503 4.640 -0.002 0.000 0.200 541 D C 2.007 178.314 176.300 0.011 0.000 0.978 541 D CA 1.029 55.035 54.000 0.010 0.000 0.833 541 D CB -0.517 40.213 40.800 -0.116 0.000 0.961 541 D HN 0.208 nan 8.370 nan 0.000 0.470 542 F N 1.245 121.240 119.950 0.074 0.000 2.186 542 F HA -0.108 4.418 4.527 -0.002 0.000 0.299 542 F C 2.582 178.423 175.800 0.067 0.000 1.090 542 F CA 0.947 58.988 58.000 0.069 0.000 1.307 542 F CB -0.786 38.253 39.000 0.066 0.000 1.019 542 F HN -0.093 nan 8.300 nan 0.000 0.489 543 T N -0.463 114.249 114.554 0.264 0.000 2.857 543 T HA -0.097 4.252 4.350 -0.002 0.000 0.266 543 T C 2.291 177.056 174.700 0.109 0.000 1.048 543 T CA 1.143 63.342 62.100 0.166 0.000 1.139 543 T CB -0.545 68.415 68.868 0.152 0.000 0.874 543 T HN 0.249 nan 8.240 nan 0.000 0.455 544 A N 1.387 124.269 122.820 0.102 0.000 1.898 544 A HA -0.134 4.185 4.320 -0.002 0.000 0.216 544 A C 2.278 179.892 177.584 0.050 0.000 1.181 544 A CA 1.805 53.876 52.037 0.056 0.000 0.620 544 A CB -0.718 18.308 19.000 0.043 0.000 0.819 544 A HN 0.408 nan 8.150 nan 0.000 0.442 545 Q N -0.923 118.923 119.800 0.076 0.000 2.124 545 Q HA -0.182 4.156 4.340 -0.002 0.000 0.202 545 Q C 1.879 177.926 176.000 0.079 0.000 0.977 545 Q CA 2.204 58.055 55.803 0.080 0.000 0.850 545 Q CB -0.472 28.340 28.738 0.122 0.000 0.901 545 Q HN 0.526 nan 8.270 nan 0.000 0.429 546 M N 0.165 119.820 119.600 0.092 0.000 2.213 546 M HA -0.109 4.370 4.480 -0.002 0.000 0.263 546 M C 1.353 177.646 176.300 -0.012 0.000 1.062 546 M CA 1.634 56.960 55.300 0.043 0.000 1.105 546 M CB -0.204 32.411 32.600 0.025 0.000 1.385 546 M HN 0.144 nan 8.290 nan 0.000 0.417 547 E N 0.180 120.372 120.200 -0.013 0.000 2.106 547 E HA -0.146 4.202 4.350 -0.002 0.000 0.192 547 E C 1.768 178.346 176.600 -0.038 0.000 0.984 547 E CA 1.521 57.895 56.400 -0.042 0.000 0.806 547 E CB -0.674 29.000 29.700 -0.043 0.000 0.750 547 E HN 0.734 nan 8.360 nan 0.000 0.458 548 N N 0.163 118.854 118.700 -0.015 0.000 2.270 548 N HA -0.050 4.688 4.740 -0.002 0.000 0.181 548 N C 1.887 177.387 175.510 -0.016 0.000 1.016 548 N CA 0.759 53.800 53.050 -0.014 0.000 0.870 548 N CB 0.037 38.524 38.487 -0.000 0.000 0.979 548 N HN -0.073 nan 8.380 nan 0.000 0.431 549 S N 0.917 116.613 115.700 -0.005 0.000 2.382 549 S HA 0.008 4.476 4.470 -0.002 0.000 0.228 549 S C 1.898 176.474 174.600 -0.038 0.000 1.027 549 S CA 0.700 58.895 58.200 -0.008 0.000 0.991 549 S CB -0.141 63.072 63.200 0.021 0.000 0.823 549 S HN 0.245 nan 8.310 nan 0.000 0.469 550 L N 1.156 122.344 121.223 -0.057 0.000 2.056 550 L HA -0.140 4.198 4.340 -0.002 0.000 0.207 550 L C 2.121 178.942 176.870 -0.082 0.000 1.078 550 L CA 1.117 55.905 54.840 -0.087 0.000 0.749 550 L CB -0.660 41.334 42.059 -0.109 0.000 0.901 550 L HN 0.193 nan 8.230 nan 0.000 0.433 551 D N -0.170 120.191 120.400 -0.065 0.000 2.144 551 D HA -0.196 4.443 4.640 -0.002 0.000 0.199 551 D C 2.318 178.591 176.300 -0.045 0.000 0.984 551 D CA 1.085 55.052 54.000 -0.055 0.000 0.834 551 D CB -0.106 40.669 40.800 -0.042 0.000 0.955 551 D HN 0.393 nan 8.370 nan 0.000 0.465 552 Q N 0.043 119.819 119.800 -0.040 0.000 2.084 552 Q HA -0.098 4.240 4.340 -0.002 0.000 0.202 552 Q C 2.369 178.340 176.000 -0.048 0.000 0.978 552 Q CA 0.885 56.666 55.803 -0.035 0.000 0.844 552 Q CB 0.026 28.745 28.738 -0.031 0.000 0.898 552 Q HN 0.179 nan 8.270 nan 0.000 0.426 553 V N 1.014 120.891 119.914 -0.061 0.000 2.307 553 V HA -0.262 3.857 4.120 -0.002 0.000 0.245 553 V C 2.294 178.338 176.094 -0.082 0.000 1.045 553 V CA 1.788 64.043 62.300 -0.075 0.000 1.024 553 V CB -1.008 30.767 31.823 -0.081 0.000 0.651 553 V HN 0.400 nan 8.190 nan 0.000 0.449 554 A N 0.288 123.055 122.820 -0.088 0.000 2.024 554 A HA -0.194 4.125 4.320 -0.002 0.000 0.220 554 A C 1.768 179.328 177.584 -0.041 0.000 1.164 554 A CA 1.864 53.849 52.037 -0.088 0.000 0.643 554 A CB -0.494 18.452 19.000 -0.089 0.000 0.806 554 A HN 0.621 nan 8.150 nan 0.000 0.451 555 N N -1.044 117.647 118.700 -0.015 0.000 2.251 555 N HA 0.021 4.760 4.740 -0.002 0.000 0.217 555 N C -0.048 175.518 175.510 0.093 0.000 1.124 555 N CA 0.227 53.291 53.050 0.023 0.000 0.843 555 N CB -0.135 38.359 38.487 0.011 0.000 1.024 555 N HN 0.608 nan 8.380 nan 0.000 0.501 556 H N 0.224 119.266 119.070 -0.047 0.000 2.862 556 H HA -0.147 4.407 4.556 -0.002 0.000 0.290 556 H C -0.173 175.142 175.328 -0.021 0.000 1.211 556 H CA 0.845 56.872 56.048 -0.034 0.000 1.140 556 H CB -0.936 28.806 29.762 -0.032 0.000 1.341 556 H HN 0.422 nan 8.280 nan 0.000 0.392 557 E N -0.683 119.481 120.200 -0.060 0.000 2.476 557 E HA 0.491 4.840 4.350 -0.002 0.000 0.199 557 E C 0.513 177.057 176.600 -0.092 0.000 1.021 557 E CA 0.542 56.908 56.400 -0.058 0.000 0.907 557 E CB 0.884 30.572 29.700 -0.021 0.000 0.974 557 E HN 0.491 nan 8.360 nan 0.000 0.489 558 A N 0.591 123.335 122.820 -0.126 0.000 2.612 558 A HA 0.384 4.702 4.320 -0.002 0.000 0.293 558 A C -1.506 176.015 177.584 -0.105 0.000 1.075 558 A CA -0.748 51.229 52.037 -0.101 0.000 0.680 558 A CB 1.482 20.447 19.000 -0.058 0.000 1.279 558 A HN -0.024 nan 8.150 nan 0.000 0.411 559 E N 1.572 121.735 120.200 -0.062 0.000 2.175 559 E HA 0.218 4.567 4.350 -0.002 0.000 0.278 559 E C 0.708 177.347 176.600 0.065 0.000 0.969 559 E CA -0.736 55.667 56.400 0.005 0.000 0.796 559 E CB 0.643 30.342 29.700 -0.003 0.000 1.104 559 E HN 0.825 nan 8.360 nan 0.000 0.395 560 W N 6.734 127.936 121.300 -0.163 0.000 2.318 560 W HA -0.201 4.458 4.660 -0.002 0.000 0.313 560 W C 0.770 177.149 176.519 -0.232 0.000 1.221 560 W CA 1.070 58.286 57.345 -0.214 0.000 1.266 560 W CB -0.664 28.634 29.460 -0.269 0.000 1.150 560 W HN 0.457 nan 8.180 nan 0.000 0.496 561 K N 0.761 120.765 120.400 -0.660 0.000 2.155 561 K HA 0.040 4.358 4.320 -0.002 0.000 0.203 561 K C 2.630 179.063 176.600 -0.279 0.000 1.052 561 K CA 1.393 57.268 56.287 -0.687 0.000 0.948 561 K CB -0.467 31.669 32.500 -0.607 0.000 0.728 561 K HN 0.141 nan 8.250 nan 0.000 0.448 562 A N 1.216 123.951 122.820 -0.143 0.000 1.902 562 A HA -0.121 4.198 4.320 -0.002 0.000 0.217 562 A C 2.369 179.947 177.584 -0.010 0.000 1.181 562 A CA 1.342 53.356 52.037 -0.038 0.000 0.623 562 A CB -0.637 18.348 19.000 -0.026 0.000 0.818 562 A HN 0.058 nan 8.150 nan 0.000 0.443 563 V N 0.026 119.912 119.914 -0.048 0.000 2.358 563 V HA -0.231 3.888 4.120 -0.002 0.000 0.246 563 V C 2.542 178.624 176.094 -0.020 0.000 1.047 563 V CA 1.872 64.169 62.300 -0.005 0.000 1.035 563 V CB -0.668 31.136 31.823 -0.031 0.000 0.658 563 V HN 0.569 nan 8.190 nan 0.000 0.452 564 L N -0.353 120.721 121.223 -0.249 0.000 2.083 564 L HA -0.168 4.170 4.340 -0.002 0.000 0.209 564 L C 2.307 179.171 176.870 -0.011 0.000 1.083 564 L CA 1.394 55.952 54.840 -0.470 0.000 0.752 564 L CB -0.665 40.474 42.059 -1.534 0.000 0.899 564 L HN 0.333 nan 8.230 nan 0.000 0.433 565 D N -1.291 119.186 120.400 0.128 0.000 2.144 565 D HA -0.208 4.431 4.640 -0.002 0.000 0.200 565 D C 2.015 178.493 176.300 0.296 0.000 0.978 565 D CA 1.110 55.316 54.000 0.343 0.000 0.833 565 D CB -0.169 40.782 40.800 0.253 0.000 0.961 565 D HN 0.401 nan 8.370 nan 0.000 0.470 566 H N -0.647 118.504 119.070 0.137 0.000 2.357 566 H HA -0.131 4.423 4.556 -0.002 0.000 0.301 566 H C 2.126 177.535 175.328 0.134 0.000 1.082 566 H CA 0.947 57.059 56.048 0.108 0.000 1.342 566 H CB -0.148 29.659 29.762 0.076 0.000 1.389 566 H HN 0.118 nan 8.280 nan 0.000 0.511 567 F N 0.770 120.723 119.950 0.004 0.000 2.102 567 F HA -0.219 4.306 4.527 -0.002 0.000 0.298 567 F C 2.164 178.023 175.800 0.098 0.000 1.105 567 F CA 1.407 59.386 58.000 -0.036 0.000 1.239 567 F CB -0.986 37.994 39.000 -0.033 0.000 0.991 567 F HN 0.092 nan 8.300 nan 0.000 0.474 568 F N 0.313 120.095 119.950 -0.281 0.000 2.234 568 F HA -0.060 4.466 4.527 -0.002 0.000 0.299 568 F C 2.724 178.433 175.800 -0.152 0.000 1.087 568 F CA 1.430 59.283 58.000 -0.246 0.000 1.340 568 F CB -0.932 38.194 39.000 0.210 0.000 1.031 568 F HN 0.148 nan 8.300 nan 0.000 0.500 569 S N -0.167 115.467 115.700 -0.111 0.000 2.345 569 S HA -0.168 4.300 4.470 -0.002 0.000 0.220 569 S C 1.836 176.274 174.600 -0.271 0.000 1.031 569 S CA 1.669 59.767 58.200 -0.170 0.000 0.996 569 S CB -0.457 62.715 63.200 -0.047 0.000 0.882 569 S HN 0.391 nan 8.310 nan 0.000 0.445 570 D N 0.351 120.563 120.400 -0.313 0.000 2.144 570 D HA -0.059 4.580 4.640 -0.002 0.000 0.199 570 D C 1.547 177.679 176.300 -0.279 0.000 0.984 570 D CA 0.840 54.654 54.000 -0.311 0.000 0.834 570 D CB -0.447 40.132 40.800 -0.368 0.000 0.955 570 D HN 0.491 nan 8.370 nan 0.000 0.465 571 F N 1.840 121.483 119.950 -0.512 0.000 2.113 571 F HA -0.190 4.336 4.527 -0.002 0.000 0.297 571 F C 2.473 178.051 175.800 -0.370 0.000 1.103 571 F CA 2.108 59.837 58.000 -0.451 0.000 1.248 571 F CB -0.778 37.778 39.000 -0.740 0.000 0.999 571 F HN -0.026 nan 8.300 nan 0.000 0.475 572 T N -1.731 112.398 114.554 -0.708 0.000 2.867 572 T HA -0.198 4.151 4.350 -0.002 0.000 0.268 572 T C 1.762 176.156 174.700 -0.510 0.000 1.057 572 T CA 1.512 63.172 62.100 -0.734 0.000 1.136 572 T CB -0.671 67.780 68.868 -0.694 0.000 0.874 572 T HN 0.481 nan 8.240 nan 0.000 0.466 573 Q N 0.805 120.362 119.800 -0.405 0.000 2.079 573 Q HA -0.089 4.250 4.340 -0.002 0.000 0.200 573 Q C 2.696 178.475 176.000 -0.370 0.000 0.974 573 Q CA 1.486 57.102 55.803 -0.311 0.000 0.840 573 Q CB -0.249 28.345 28.738 -0.239 0.000 0.898 573 Q HN 0.654 nan 8.270 nan 0.000 0.430 574 Q N 0.173 119.706 119.800 -0.445 0.000 2.020 574 Q HA -0.173 4.165 4.340 -0.002 0.000 0.202 574 Q C 2.029 177.572 176.000 -0.762 0.000 0.982 574 Q CA 1.117 56.575 55.803 -0.574 0.000 0.838 574 Q CB -0.152 28.288 28.738 -0.497 0.000 0.899 574 Q HN 0.239 nan 8.270 nan 0.000 0.423 575 L N 1.054 121.835 121.223 -0.737 0.000 2.275 575 L HA -0.158 4.181 4.340 -0.002 0.000 0.215 575 L C 1.231 177.877 176.870 -0.374 0.000 1.119 575 L CA 1.700 56.202 54.840 -0.563 0.000 0.790 575 L CB -0.351 41.317 42.059 -0.652 0.000 0.919 575 L HN 0.124 nan 8.230 nan 0.000 0.443 576 D N -0.285 119.903 120.400 -0.354 0.000 2.103 576 D HA -0.152 4.487 4.640 -0.002 0.000 0.199 576 D C 2.107 178.278 176.300 -0.216 0.000 0.978 576 D CA 1.241 55.099 54.000 -0.235 0.000 0.829 576 D CB 0.109 40.784 40.800 -0.208 0.000 0.981 576 D HN 0.345 nan 8.370 nan 0.000 0.464 577 K N 0.823 121.066 120.400 -0.262 0.000 2.002 577 K HA -0.028 4.290 4.320 -0.002 0.000 0.209 577 K C 2.155 178.621 176.600 -0.224 0.000 1.048 577 K CA 1.221 57.371 56.287 -0.228 0.000 0.930 577 K CB -0.204 32.144 32.500 -0.254 0.000 0.714 577 K HN -0.007 nan 8.250 nan 0.000 0.438 578 A N 1.482 124.108 122.820 -0.323 0.000 2.032 578 A HA -0.247 4.072 4.320 -0.002 0.000 0.221 578 A C 1.793 179.298 177.584 -0.130 0.000 1.165 578 A CA 1.705 53.585 52.037 -0.262 0.000 0.645 578 A CB -0.427 18.327 19.000 -0.411 0.000 0.807 578 A HN 0.349 nan 8.150 nan 0.000 0.453 579 E N -0.360 119.764 120.200 -0.127 0.000 2.371 579 E HA -0.010 4.338 4.350 -0.002 0.000 0.194 579 E C 0.512 177.076 176.600 -0.059 0.000 1.012 579 E CA 0.043 56.401 56.400 -0.071 0.000 0.860 579 E CB 0.098 29.758 29.700 -0.066 0.000 0.811 579 E HN 0.591 nan 8.360 nan 0.000 0.502 580 K N 1.336 121.690 120.400 -0.076 0.000 2.143 580 K HA 0.023 4.342 4.320 -0.002 0.000 0.239 580 K C -0.106 176.468 176.600 -0.044 0.000 1.048 580 K CA -0.277 55.974 56.287 -0.060 0.000 0.867 580 K CB 0.298 32.756 32.500 -0.071 0.000 1.088 580 K HN -0.080 nan 8.250 nan 0.000 0.510 581 D N 0.795 121.174 120.400 -0.035 0.000 2.344 581 D HA 0.046 4.684 4.640 -0.002 0.000 0.244 581 D C -1.810 174.474 176.300 -0.028 0.000 1.134 581 D CA -1.840 52.146 54.000 -0.024 0.000 0.930 581 D CB 0.245 41.033 40.800 -0.020 0.000 1.175 581 D HN 0.153 nan 8.370 nan 0.000 0.437 582 P HA -0.132 nan 4.420 nan 0.000 0.219 582 P C 1.017 178.303 177.300 -0.022 0.000 1.146 582 P CA 1.119 64.207 63.100 -0.020 0.000 0.808 582 P CB 0.231 31.925 31.700 -0.010 0.000 0.779 583 E N 0.454 120.642 120.200 -0.020 0.000 2.347 583 E HA -0.163 4.185 4.350 -0.002 0.000 0.196 583 E C 0.920 177.504 176.600 -0.026 0.000 1.008 583 E CA 0.944 57.332 56.400 -0.020 0.000 0.852 583 E CB -0.772 28.919 29.700 -0.016 0.000 0.783 583 E HN 0.566 nan 8.360 nan 0.000 0.505 584 E N 0.138 120.318 120.200 -0.033 0.000 2.496 584 E HA 0.375 4.724 4.350 -0.002 0.000 0.200 584 E C 0.654 177.223 176.600 -0.053 0.000 1.016 584 E CA 0.108 56.483 56.400 -0.041 0.000 0.962 584 E CB 0.277 29.951 29.700 -0.043 0.000 1.071 584 E HN 0.154 nan 8.360 nan 0.000 0.457 585 G N 0.548 109.318 108.800 -0.050 0.000 2.159 585 G HA2 -0.279 3.679 3.960 -0.002 0.000 0.256 585 G HA3 -0.279 3.679 3.960 -0.002 0.000 0.256 585 G C 0.566 175.418 174.900 -0.080 0.000 0.977 585 G CA -0.214 44.848 45.100 -0.063 0.000 0.652 585 G HN 0.631 nan 8.290 nan 0.000 0.531 586 G N -0.938 107.819 108.800 -0.072 0.000 2.588 586 G HA2 0.531 4.489 3.960 -0.002 0.000 0.278 586 G HA3 0.531 4.489 3.960 -0.002 0.000 0.278 586 G C 0.519 175.384 174.900 -0.058 0.000 1.307 586 G CA -0.021 45.031 45.100 -0.082 0.000 1.016 586 G HN 0.723 nan 8.290 nan 0.000 0.503 587 M N -0.011 119.562 119.600 -0.045 0.000 2.249 587 M HA 0.186 4.665 4.480 -0.002 0.000 0.340 587 M C 0.492 176.794 176.300 0.002 0.000 1.166 587 M CA 0.130 55.425 55.300 -0.009 0.000 1.115 587 M CB 0.425 33.040 32.600 0.025 0.000 1.606 587 M HN 0.394 nan 8.290 nan 0.000 0.448 588 R N 5.579 126.086 120.500 0.010 0.000 2.390 588 R HA 0.395 4.733 4.340 -0.002 0.000 0.291 588 R C -2.278 174.038 176.300 0.026 0.000 1.070 588 R CA -1.399 54.709 56.100 0.014 0.000 1.014 588 R CB 0.124 30.433 30.300 0.015 0.000 1.007 588 R HN 0.482 nan 8.270 nan 0.000 0.466 589 P HA 0.052 nan 4.420 nan 0.000 0.277 589 P C -0.874 176.450 177.300 0.040 0.000 1.271 589 P CA -0.404 62.718 63.100 0.036 0.000 0.795 589 P CB 0.421 32.140 31.700 0.032 0.000 1.101 590 N N 0.000 118.729 118.700 0.048 0.000 1.763 590 N HA 0.000 4.739 4.740 -0.002 0.000 0.220 590 N CA 0.000 53.080 53.050 0.050 0.000 0.885 590 N CB 0.000 38.512 38.487 0.041 0.000 1.341 590 N HN 0.000 nan 8.380 nan 0.000 0.667