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 3l71_1_C DATA FIRST_RESID 1 DATA SEQUENCE MAPNIRKSHP LLKMINNSLI DLPAPSNISA WWNFGSLLAV CLMTQILTGL DATA SEQUENCE LLAMHYTADT SLAFSSVAHT CRNVQYGWLI RNLHANGASF FFICIFLHIG DATA SEQUENCE RGLYYGSYLY KETWNTGVIL LLTLMATAFV GYVLPWGQMS FWGATVITNL DATA SEQUENCE FSAIPYIGHT LVEWAWGGFS VDNPTLTRFF ALHFLLPFAI AGITIIHLTF DATA SEQUENCE LHESGSNNPL GISSDSDKIP FHPYYSFKDI LGLTLMLTPF LTLALFSPNL DATA SEQUENCE LGDPENFTPA NPLVTPPHIK PEWYFLFAYA ILRSIPNKLG GVLALAASVL DATA SEQUENCE ILFLIPFLHK SKQRTMTFRP LSQTLFWLLV ANLLILTWIG SQPVEHPFII DATA SEQUENCE IGQMASLSYF TILLILFPTI GTLENKMLNY 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.307 176.300 0.012 0.000 1.140 1 M CA 0.000 55.307 55.300 0.012 0.000 0.988 1 M CB 0.000 32.609 32.600 0.015 0.000 1.302 2 A N 1.054 123.883 122.820 0.015 0.000 2.386 2 A HA 0.883 5.203 4.320 -0.000 0.000 0.308 2 A C -1.529 176.063 177.584 0.014 0.000 1.128 2 A CA -0.530 51.516 52.037 0.014 0.000 0.789 2 A CB 0.482 19.492 19.000 0.016 0.000 1.325 2 A HN 0.658 nan 8.150 nan 0.000 0.437 3 P HA -0.087 nan 4.420 nan 0.000 0.208 3 P C -0.148 177.159 177.300 0.012 0.000 1.195 3 P CA 0.973 64.079 63.100 0.011 0.000 0.927 3 P CB -0.449 31.257 31.700 0.010 0.000 0.778 4 N N 0.504 119.212 118.700 0.014 0.000 2.499 4 N HA 0.043 4.783 4.740 -0.000 0.000 0.281 4 N C 0.904 176.425 175.510 0.019 0.000 1.098 4 N CA -0.425 52.633 53.050 0.014 0.000 0.979 4 N CB 1.229 39.725 38.487 0.015 0.000 1.121 4 N HN -0.065 nan 8.380 nan 0.000 0.466 5 I N 0.389 120.968 120.570 0.014 0.000 3.241 5 I HA -0.087 4.083 4.170 -0.000 0.000 0.280 5 I C 2.048 178.185 176.117 0.033 0.000 1.320 5 I CA 0.625 61.937 61.300 0.020 0.000 1.413 5 I CB -1.185 36.808 38.000 -0.011 0.000 1.060 5 I HN 0.665 nan 8.210 nan 0.000 0.500 6 R N 1.382 121.898 120.500 0.027 0.000 2.240 6 R HA -0.029 4.311 4.340 -0.000 0.000 0.203 6 R C 1.709 178.037 176.300 0.047 0.000 1.011 6 R CA 0.633 56.753 56.100 0.034 0.000 1.007 6 R CB 0.360 30.675 30.300 0.024 0.000 0.911 6 R HN 0.324 nan 8.270 nan 0.000 0.468 7 K N -0.994 119.432 120.400 0.044 0.000 2.329 7 K HA 0.059 4.379 4.320 -0.000 0.000 0.198 7 K C 2.028 178.653 176.600 0.041 0.000 1.085 7 K CA 0.795 57.104 56.287 0.037 0.000 0.961 7 K CB 0.440 32.956 32.500 0.027 0.000 0.971 7 K HN 0.070 nan 8.250 nan 0.000 0.502 8 S N 0.671 116.402 115.700 0.051 0.000 2.335 8 S HA -0.146 4.324 4.470 -0.000 0.000 0.217 8 S C 0.982 175.623 174.600 0.068 0.000 1.032 8 S CA 0.495 58.724 58.200 0.050 0.000 0.985 8 S CB -0.818 62.411 63.200 0.048 0.000 0.896 8 S HN 0.335 nan 8.310 nan 0.000 0.445 9 H N 5.688 124.757 119.070 -0.003 0.000 3.173 9 H HA 0.088 4.644 4.556 -0.000 0.000 0.311 9 H C -1.514 173.811 175.328 -0.005 0.000 0.972 9 H CA -0.496 55.549 56.048 -0.004 0.000 1.384 9 H CB 0.675 30.434 29.762 -0.004 0.000 1.349 9 H HN 0.123 nan 8.280 nan 0.000 0.582 10 P HA -0.131 nan 4.420 nan 0.000 0.228 10 P C 0.871 178.013 177.300 -0.263 0.000 1.151 10 P CA 1.137 64.055 63.100 -0.304 0.000 0.770 10 P CB 0.557 32.091 31.700 -0.278 0.000 0.786 11 L N -1.552 119.453 121.223 -0.363 0.000 2.435 11 L HA 0.117 4.457 4.340 -0.000 0.000 0.195 11 L C 2.744 179.692 176.870 0.131 0.000 1.072 11 L CA 0.266 55.086 54.840 -0.035 0.000 0.833 11 L CB -0.784 41.313 42.059 0.064 0.000 1.081 11 L HN -0.187 nan 8.230 nan 0.000 0.485 12 L N 0.680 122.119 121.223 0.360 0.000 2.043 12 L HA -0.285 4.055 4.340 -0.000 0.000 0.212 12 L C 2.661 179.587 176.870 0.094 0.000 1.075 12 L CA 1.528 56.475 54.840 0.178 0.000 0.752 12 L CB -0.610 41.533 42.059 0.140 0.000 0.891 12 L HN 0.332 nan 8.230 nan 0.000 0.432 13 K N 0.409 120.862 120.400 0.088 0.000 2.127 13 K HA -0.250 4.070 4.320 -0.000 0.000 0.208 13 K C 2.082 178.694 176.600 0.021 0.000 1.047 13 K CA 1.791 58.102 56.287 0.040 0.000 0.927 13 K CB -0.081 32.430 32.500 0.017 0.000 0.716 13 K HN 0.294 nan 8.250 nan 0.000 0.450 14 M N 0.247 119.857 119.600 0.018 0.000 2.156 14 M HA -0.095 4.385 4.480 -0.000 0.000 0.264 14 M C 2.196 178.504 176.300 0.012 0.000 1.067 14 M CA 1.351 56.658 55.300 0.011 0.000 1.131 14 M CB -0.224 32.379 32.600 0.005 0.000 1.368 14 M HN 0.127 nan 8.290 nan 0.000 0.416 15 I N 0.450 121.031 120.570 0.018 0.000 2.361 15 I HA -0.276 3.894 4.170 -0.000 0.000 0.251 15 I C 2.159 178.274 176.117 -0.003 0.000 1.133 15 I CA 1.147 62.451 61.300 0.006 0.000 1.413 15 I CB -0.604 37.404 38.000 0.014 0.000 1.073 15 I HN 0.396 nan 8.210 nan 0.000 0.424 16 N N 1.445 120.151 118.700 0.010 0.000 2.173 16 N HA -0.131 4.609 4.740 -0.000 0.000 0.184 16 N C 1.304 176.812 175.510 -0.004 0.000 1.025 16 N CA 1.204 54.262 53.050 0.015 0.000 0.852 16 N CB -0.070 38.433 38.487 0.026 0.000 0.998 16 N HN 0.152 nan 8.380 nan 0.000 0.427 17 N N -0.443 118.246 118.700 -0.018 0.000 2.567 17 N HA -0.014 4.726 4.740 -0.000 0.000 0.195 17 N C 0.221 175.649 175.510 -0.136 0.000 1.242 17 N CA 0.744 53.761 53.050 -0.055 0.000 0.884 17 N CB 0.195 38.659 38.487 -0.038 0.000 1.007 17 N HN 0.463 nan 8.380 nan 0.000 0.450 18 S N -1.836 113.793 115.700 -0.118 0.000 2.733 18 S HA 0.283 4.753 4.470 -0.000 0.000 0.270 18 S C 0.732 175.160 174.600 -0.286 0.000 1.062 18 S CA -0.400 57.696 58.200 -0.173 0.000 1.256 18 S CB 0.288 63.532 63.200 0.074 0.000 1.187 18 S HN 0.117 nan 8.310 nan 0.000 0.666 19 L N 0.366 121.454 121.223 -0.225 0.000 3.520 19 L HA 0.553 4.893 4.340 -0.000 0.000 0.323 19 L C 0.449 177.391 176.870 0.120 0.000 1.246 19 L CA 0.211 54.853 54.840 -0.329 0.000 1.085 19 L CB 0.543 42.492 42.059 -0.184 0.000 1.477 19 L HN 0.238 nan 8.230 nan 0.000 0.624 20 I N -1.415 119.245 120.570 0.150 0.000 3.663 20 I HA 0.111 4.281 4.170 -0.000 0.000 0.263 20 I C 0.508 176.768 176.117 0.238 0.000 1.104 20 I CA 0.120 61.574 61.300 0.256 0.000 1.426 20 I CB 0.614 38.690 38.000 0.128 0.000 1.771 20 I HN -0.106 nan 8.210 nan 0.000 0.402 21 D N 1.736 122.216 120.400 0.133 0.000 2.328 21 D HA 0.161 4.801 4.640 -0.000 0.000 0.221 21 D C 0.326 176.676 176.300 0.084 0.000 1.072 21 D CA 0.030 54.095 54.000 0.107 0.000 0.850 21 D CB 0.238 41.077 40.800 0.065 0.000 0.922 21 D HN 0.007 nan 8.370 nan 0.000 0.516 22 L N 1.347 122.617 121.223 0.078 0.000 2.477 22 L HA 0.279 4.619 4.340 -0.000 0.000 0.272 22 L C -2.488 174.441 176.870 0.098 0.000 1.157 22 L CA -1.194 53.654 54.840 0.013 0.000 0.889 22 L CB 0.408 42.410 42.059 -0.094 0.000 1.158 22 L HN -0.255 nan 8.230 nan 0.000 0.473 23 P HA 0.260 nan 4.420 nan 0.000 0.270 23 P C -1.203 176.150 177.300 0.087 0.000 1.242 23 P CA 0.083 63.225 63.100 0.072 0.000 0.768 23 P CB 0.911 32.629 31.700 0.030 0.000 0.820 24 A N 5.809 128.718 122.820 0.148 0.000 2.355 24 A HA 0.719 5.039 4.320 -0.000 0.000 0.324 24 A C -2.677 174.957 177.584 0.084 0.000 1.117 24 A CA -2.268 49.846 52.037 0.129 0.000 0.785 24 A CB 0.638 19.791 19.000 0.255 0.000 1.254 24 A HN 0.278 nan 8.150 nan 0.000 0.453 25 P HA 0.054 nan 4.420 nan 0.000 0.268 25 P C 0.954 178.249 177.300 -0.009 0.000 1.204 25 P CA 0.344 63.403 63.100 -0.068 0.000 0.768 25 P CB 0.918 32.505 31.700 -0.189 0.000 0.842 26 S N 1.924 117.602 115.700 -0.037 0.000 2.474 26 S HA -0.134 4.336 4.470 -0.000 0.000 0.235 26 S C 1.138 175.702 174.600 -0.060 0.000 0.997 26 S CA 0.851 59.011 58.200 -0.066 0.000 0.949 26 S CB -0.795 62.326 63.200 -0.132 0.000 0.766 26 S HN 0.573 nan 8.310 nan 0.000 0.517 27 N N 2.001 120.644 118.700 -0.096 0.000 2.238 27 N HA 0.104 4.844 4.740 -0.000 0.000 0.222 27 N C 0.369 175.750 175.510 -0.215 0.000 1.133 27 N CA -0.467 52.511 53.050 -0.119 0.000 0.854 27 N CB -0.482 37.940 38.487 -0.110 0.000 1.041 27 N HN 0.740 nan 8.380 nan 0.000 0.510 28 I N -0.032 120.360 120.570 -0.296 0.000 2.588 28 I HA 0.201 4.370 4.170 -0.000 0.000 0.283 28 I C 0.643 176.649 176.117 -0.185 0.000 1.119 28 I CA -0.727 60.215 61.300 -0.596 0.000 1.419 28 I CB 0.776 38.217 38.000 -0.932 0.000 1.394 28 I HN 0.033 nan 8.210 nan 0.000 0.562 29 S N 4.618 120.280 115.700 -0.064 0.000 2.646 29 S HA 0.558 5.028 4.470 -0.000 0.000 0.273 29 S C 1.331 176.061 174.600 0.218 0.000 1.168 29 S CA -0.253 58.041 58.200 0.157 0.000 1.013 29 S CB 1.233 64.594 63.200 0.269 0.000 1.098 29 S HN 0.894 nan 8.310 nan 0.000 0.544 30 A N -0.620 122.217 122.820 0.028 0.000 2.070 30 A HA 0.018 4.338 4.320 -0.000 0.000 0.220 30 A C 1.630 179.080 177.584 -0.224 0.000 1.159 30 A CA 0.917 52.852 52.037 -0.170 0.000 0.656 30 A CB -1.245 17.552 19.000 -0.340 0.000 0.800 30 A HN 0.885 nan 8.150 nan 0.000 0.453 31 W N -1.534 119.933 121.300 0.278 0.000 2.611 31 W HA -0.057 4.603 4.660 -0.000 0.000 0.251 31 W C 1.625 178.211 176.519 0.112 0.000 1.265 31 W CA -0.236 57.283 57.345 0.291 0.000 1.295 31 W CB -0.150 29.445 29.460 0.226 0.000 1.129 31 W HN 0.456 nan 8.180 nan 0.000 0.630 32 W N 0.093 121.477 121.300 0.140 0.000 3.353 32 W HA 0.042 4.702 4.660 0.000 0.000 0.304 32 W C 0.623 177.146 176.519 0.006 0.000 1.273 32 W CA 0.144 57.547 57.345 0.097 0.000 1.773 32 W CB -0.393 29.062 29.460 -0.008 0.000 1.095 32 W HN -0.061 nan 8.180 nan 0.000 0.676 33 N N -0.273 118.384 118.700 -0.071 0.000 2.412 33 N HA -0.027 4.713 4.740 -0.000 0.000 0.184 33 N C 1.073 176.401 175.510 -0.304 0.000 1.101 33 N CA 0.664 53.581 53.050 -0.222 0.000 0.881 33 N CB -0.489 37.758 38.487 -0.399 0.000 0.969 33 N HN -0.068 nan 8.380 nan 0.000 0.459 34 F N -0.057 119.966 119.950 0.121 0.000 2.456 34 F HA 0.215 4.742 4.527 -0.000 0.000 0.298 34 F C 2.346 178.094 175.800 -0.087 0.000 1.104 34 F CA 0.344 58.371 58.000 0.045 0.000 1.435 34 F CB -0.796 38.280 39.000 0.126 0.000 1.078 34 F HN 0.034 nan 8.300 nan 0.000 0.546 35 G N 0.034 108.896 108.800 0.103 0.000 2.433 35 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.216 35 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.216 35 G C 1.837 176.721 174.900 -0.028 0.000 1.186 35 G CA 1.206 46.270 45.100 -0.061 0.000 0.779 35 G HN 0.423 nan 8.290 nan 0.000 0.543 36 S N 0.632 116.363 115.700 0.053 0.000 2.382 36 S HA 0.021 4.491 4.470 -0.000 0.000 0.228 36 S C 2.346 176.952 174.600 0.010 0.000 1.027 36 S CA 1.063 59.297 58.200 0.057 0.000 0.991 36 S CB -0.392 62.887 63.200 0.132 0.000 0.823 36 S HN 0.267 nan 8.310 nan 0.000 0.469 37 L N 0.515 121.742 121.223 0.006 0.000 2.141 37 L HA 0.037 4.377 4.340 -0.000 0.000 0.209 37 L C 2.587 179.398 176.870 -0.098 0.000 1.094 37 L CA 0.902 55.758 54.840 0.026 0.000 0.763 37 L CB -0.522 41.588 42.059 0.086 0.000 0.908 37 L HN 0.306 nan 8.230 nan 0.000 0.437 38 L N -0.620 120.492 121.223 -0.185 0.000 2.056 38 L HA -0.184 4.156 4.340 -0.000 0.000 0.207 38 L C 2.845 179.490 176.870 -0.375 0.000 1.078 38 L CA 1.141 55.753 54.840 -0.379 0.000 0.749 38 L CB -0.604 41.255 42.059 -0.333 0.000 0.901 38 L HN 0.234 nan 8.230 nan 0.000 0.433 39 A N -0.506 122.202 122.820 -0.186 0.000 1.877 39 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 39 A C 2.304 179.815 177.584 -0.122 0.000 1.186 39 A CA 1.753 53.720 52.037 -0.118 0.000 0.620 39 A CB -0.840 18.133 19.000 -0.045 0.000 0.822 39 A HN 0.181 nan 8.150 nan 0.000 0.443 40 V N -1.226 118.632 119.914 -0.094 0.000 2.407 40 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 40 V C 2.637 178.662 176.094 -0.115 0.000 1.055 40 V CA 1.840 64.101 62.300 -0.064 0.000 1.049 40 V CB -0.987 30.830 31.823 -0.011 0.000 0.662 40 V HN 0.761 nan 8.190 nan 0.000 0.455 41 C N -0.434 118.731 119.300 -0.226 0.000 2.413 41 C HA -0.162 4.298 4.460 -0.000 0.000 0.276 41 C C 2.664 177.402 174.990 -0.421 0.000 1.236 41 C CA 1.525 60.314 59.018 -0.381 0.000 1.735 41 C CB -0.944 26.306 27.740 -0.817 0.000 2.031 41 C HN 0.606 nan 8.230 nan 0.000 0.474 42 L N 0.440 121.390 121.223 -0.455 0.000 2.046 42 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 42 L C 2.323 179.181 176.870 -0.019 0.000 1.077 42 L CA 2.056 56.842 54.840 -0.090 0.000 0.747 42 L CB -0.663 41.392 42.059 -0.007 0.000 0.896 42 L HN 0.335 nan 8.230 nan 0.000 0.432 43 M N -1.534 118.042 119.600 -0.041 0.000 2.159 43 M HA -0.183 4.297 4.480 -0.000 0.000 0.263 43 M C 1.974 178.278 176.300 0.005 0.000 1.063 43 M CA 2.118 57.415 55.300 -0.004 0.000 1.110 43 M CB -0.616 31.979 32.600 -0.008 0.000 1.374 43 M HN 0.236 nan 8.290 nan 0.000 0.411 44 T N -0.286 114.265 114.554 -0.003 0.000 2.821 44 T HA -0.110 4.240 4.350 -0.000 0.000 0.267 44 T C 1.916 176.664 174.700 0.080 0.000 1.046 44 T CA 0.902 63.018 62.100 0.028 0.000 1.139 44 T CB -0.086 68.798 68.868 0.028 0.000 0.871 44 T HN 0.304 nan 8.240 nan 0.000 0.454 45 Q N 0.586 120.440 119.800 0.091 0.000 2.046 45 Q HA 0.090 4.430 4.340 -0.000 0.000 0.200 45 Q C 2.426 178.516 176.000 0.150 0.000 0.975 45 Q CA 1.109 57.012 55.803 0.166 0.000 0.836 45 Q CB -0.555 28.270 28.738 0.146 0.000 0.896 45 Q HN 0.523 nan 8.270 nan 0.000 0.428 46 I N 0.347 120.934 120.570 0.028 0.000 2.208 46 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 46 I C 2.221 178.319 176.117 -0.033 0.000 1.097 46 I CA 0.617 61.879 61.300 -0.064 0.000 1.363 46 I CB -0.231 37.745 38.000 -0.041 0.000 1.051 46 I HN 0.156 nan 8.210 nan 0.000 0.413 47 L N 0.602 121.832 121.223 0.011 0.000 1.961 47 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 47 L C 2.829 179.690 176.870 -0.015 0.000 1.072 47 L CA 2.699 57.542 54.840 0.004 0.000 0.749 47 L CB -1.169 40.896 42.059 0.009 0.000 0.889 47 L HN 0.453 nan 8.230 nan 0.000 0.432 48 T N -3.346 111.221 114.554 0.022 0.000 2.803 48 T HA -0.100 4.250 4.350 -0.000 0.000 0.269 48 T C 1.952 176.534 174.700 -0.196 0.000 1.052 48 T CA 0.990 63.087 62.100 -0.005 0.000 1.136 48 T CB -1.471 67.479 68.868 0.137 0.000 0.864 48 T HN 0.421 nan 8.240 nan 0.000 0.467 49 G N 1.638 110.282 108.800 -0.261 0.000 2.421 49 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.216 49 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.216 49 G C 1.530 176.226 174.900 -0.340 0.000 1.171 49 G CA 0.793 45.572 45.100 -0.536 0.000 0.775 49 G HN 0.523 nan 8.290 nan 0.000 0.543 50 L N -0.097 120.985 121.223 -0.234 0.000 2.046 50 L HA 0.010 4.350 4.340 -0.000 0.000 0.208 50 L C 2.918 179.764 176.870 -0.040 0.000 1.077 50 L CA 0.528 55.276 54.840 -0.153 0.000 0.747 50 L CB -0.350 41.673 42.059 -0.060 0.000 0.896 50 L HN 0.174 nan 8.230 nan 0.000 0.432 51 L N -0.625 120.581 121.223 -0.030 0.000 2.079 51 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 51 L C 2.418 179.353 176.870 0.108 0.000 1.081 51 L CA 1.211 56.077 54.840 0.043 0.000 0.752 51 L CB -0.311 41.758 42.059 0.018 0.000 0.896 51 L HN 0.314 nan 8.230 nan 0.000 0.433 52 L N -0.986 120.240 121.223 0.005 0.000 2.131 52 L HA -0.069 4.271 4.340 -0.000 0.000 0.206 52 L C 2.795 179.761 176.870 0.160 0.000 1.087 52 L CA 0.753 55.626 54.840 0.055 0.000 0.767 52 L CB -0.603 41.397 42.059 -0.099 0.000 0.917 52 L HN 0.182 nan 8.230 nan 0.000 0.441 53 A N -0.014 122.874 122.820 0.114 0.000 2.019 53 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 53 A C 2.177 179.939 177.584 0.298 0.000 1.164 53 A CA 1.443 53.654 52.037 0.291 0.000 0.644 53 A CB -0.496 18.631 19.000 0.212 0.000 0.805 53 A HN 0.395 nan 8.150 nan 0.000 0.449 54 M N -1.387 118.313 119.600 0.168 0.000 2.686 54 M HA -0.030 4.450 4.480 -0.000 0.000 0.246 54 M C 0.716 176.889 176.300 -0.212 0.000 1.096 54 M CA 0.950 56.246 55.300 -0.007 0.000 1.076 54 M CB -0.159 32.377 32.600 -0.106 0.000 1.504 54 M HN 0.570 nan 8.290 nan 0.000 0.524 55 H N -3.295 115.868 119.070 0.156 0.000 3.398 55 H HA 0.172 4.728 4.556 -0.000 0.000 0.260 55 H C -0.594 174.821 175.328 0.145 0.000 1.189 55 H CA -0.394 55.745 56.048 0.151 0.000 1.145 55 H CB 0.579 30.448 29.762 0.177 0.000 1.599 55 H HN 0.178 nan 8.280 nan 0.000 0.615 56 Y N 1.530 121.889 120.300 0.098 0.000 2.307 56 Y HA 0.443 4.993 4.550 -0.000 0.000 0.324 56 Y C -0.277 175.530 175.900 -0.155 0.000 1.238 56 Y CA -0.264 57.812 58.100 -0.039 0.000 1.280 56 Y CB 1.166 39.570 38.460 -0.092 0.000 1.248 56 Y HN -0.112 nan 8.280 nan 0.000 0.508 57 T N 4.938 118.839 114.554 -1.089 0.000 2.890 57 T HA 0.542 4.892 4.350 -0.000 0.000 0.295 57 T C -0.876 173.087 174.700 -1.228 0.000 0.993 57 T CA -0.506 61.087 62.100 -0.845 0.000 0.979 57 T CB 0.771 69.359 68.868 -0.466 0.000 0.967 57 T HN 0.775 nan 8.240 nan 0.000 0.441 58 A N 3.498 125.777 122.820 -0.901 0.000 2.922 58 A HA 0.577 4.897 4.320 -0.000 0.000 0.298 58 A C -0.134 177.217 177.584 -0.389 0.000 1.588 58 A CA -0.181 51.508 52.037 -0.580 0.000 1.288 58 A CB -0.507 18.323 19.000 -0.283 0.000 1.130 58 A HN 0.808 nan 8.150 nan 0.000 0.557 59 D N 0.306 120.445 120.400 -0.435 0.000 2.927 59 D HA 0.317 4.957 4.640 -0.000 0.000 0.219 59 D C 1.355 177.389 176.300 -0.443 0.000 1.248 59 D CA 0.317 54.097 54.000 -0.367 0.000 0.861 59 D CB 1.385 42.020 40.800 -0.275 0.000 1.677 59 D HN 0.254 nan 8.370 nan 0.000 0.511 60 T N -0.434 113.799 114.554 -0.534 0.000 2.737 60 T HA -0.236 4.114 4.350 -0.000 0.000 0.269 60 T C 1.752 176.289 174.700 -0.271 0.000 1.040 60 T CA 1.694 63.402 62.100 -0.652 0.000 1.142 60 T CB -0.428 68.150 68.868 -0.483 0.000 0.861 60 T HN 0.326 nan 8.240 nan 0.000 0.456 61 S N 0.766 116.352 115.700 -0.190 0.000 2.561 61 S HA 0.240 4.710 4.470 -0.000 0.000 0.225 61 S C 1.600 176.152 174.600 -0.081 0.000 0.977 61 S CA 0.250 58.391 58.200 -0.097 0.000 0.926 61 S CB -0.453 62.693 63.200 -0.091 0.000 0.769 61 S HN 0.597 nan 8.310 nan 0.000 0.533 62 L N -0.629 120.512 121.223 -0.137 0.000 3.076 62 L HA 0.472 4.812 4.340 -0.000 0.000 0.271 62 L C 2.480 179.264 176.870 -0.143 0.000 1.152 62 L CA 0.456 55.219 54.840 -0.127 0.000 0.996 62 L CB -0.376 41.572 42.059 -0.185 0.000 1.453 62 L HN 0.259 nan 8.230 nan 0.000 0.571 63 A N 1.094 123.803 122.820 -0.186 0.000 1.849 63 A HA -0.301 4.019 4.320 -0.000 0.000 0.217 63 A C 2.073 179.719 177.584 0.103 0.000 1.202 63 A CA 2.148 54.106 52.037 -0.132 0.000 0.629 63 A CB -0.960 18.016 19.000 -0.039 0.000 0.834 63 A HN 0.364 nan 8.150 nan 0.000 0.447 64 F N 1.856 121.862 119.950 0.093 0.000 2.091 64 F HA -0.267 4.260 4.527 -0.000 0.000 0.299 64 F C 2.830 178.672 175.800 0.071 0.000 1.103 64 F CA 2.552 60.617 58.000 0.108 0.000 1.228 64 F CB -0.242 38.828 39.000 0.118 0.000 0.984 64 F HN 0.330 nan 8.300 nan 0.000 0.477 65 S N -0.765 115.069 115.700 0.223 0.000 2.428 65 S HA -0.142 4.328 4.470 -0.000 0.000 0.230 65 S C 2.168 176.802 174.600 0.057 0.000 1.014 65 S CA 0.766 59.045 58.200 0.132 0.000 0.957 65 S CB -1.075 62.218 63.200 0.155 0.000 0.784 65 S HN 0.545 nan 8.310 nan 0.000 0.499 66 S N 1.765 117.471 115.700 0.010 0.000 2.382 66 S HA -0.047 4.423 4.470 -0.000 0.000 0.228 66 S C 1.798 176.471 174.600 0.120 0.000 1.027 66 S CA 1.037 59.251 58.200 0.023 0.000 0.991 66 S CB -0.975 62.147 63.200 -0.131 0.000 0.823 66 S HN 0.371 nan 8.310 nan 0.000 0.469 67 V N 2.214 122.166 119.914 0.064 0.000 2.453 67 V HA 0.002 4.122 4.120 -0.000 0.000 0.247 67 V C 3.115 179.182 176.094 -0.045 0.000 1.048 67 V CA 1.485 63.799 62.300 0.024 0.000 1.049 67 V CB -1.379 30.403 31.823 -0.067 0.000 0.672 67 V HN 0.677 nan 8.190 nan 0.000 0.457 68 A N -0.548 122.216 122.820 -0.095 0.000 1.929 68 A HA -0.233 4.087 4.320 -0.000 0.000 0.216 68 A C 2.250 179.849 177.584 0.025 0.000 1.176 68 A CA 1.615 53.615 52.037 -0.061 0.000 0.628 68 A CB -0.825 18.142 19.000 -0.054 0.000 0.816 68 A HN 0.707 nan 8.150 nan 0.000 0.444 69 H N 0.308 119.370 119.070 -0.013 0.000 2.321 69 H HA -0.117 4.439 4.556 -0.000 0.000 0.300 69 H C 1.864 177.184 175.328 -0.014 0.000 1.087 69 H CA 2.123 58.172 56.048 0.002 0.000 1.319 69 H CB -0.403 29.366 29.762 0.012 0.000 1.379 69 H HN 0.386 nan 8.280 nan 0.000 0.501 70 T N 0.500 115.007 114.554 -0.079 0.000 2.684 70 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 70 T C 2.483 177.085 174.700 -0.163 0.000 1.036 70 T CA 1.570 63.559 62.100 -0.183 0.000 1.148 70 T CB -0.723 68.127 68.868 -0.031 0.000 0.863 70 T HN 0.482 nan 8.240 nan 0.000 0.436 71 C N 0.979 120.248 119.300 -0.052 0.000 2.440 71 C HA 0.061 4.521 4.460 -0.000 0.000 0.278 71 C C 2.857 177.871 174.990 0.039 0.000 1.295 71 C CA 0.355 59.399 59.018 0.044 0.000 1.738 71 C CB -0.930 26.855 27.740 0.076 0.000 1.987 71 C HN 0.519 nan 8.230 nan 0.000 0.492 72 R N 0.500 120.977 120.500 -0.038 0.000 2.173 72 R HA 0.051 4.391 4.340 -0.000 0.000 0.208 72 R C 1.464 177.705 176.300 -0.100 0.000 1.035 72 R CA 0.811 56.884 56.100 -0.046 0.000 1.004 72 R CB -0.032 30.255 30.300 -0.021 0.000 0.917 72 R HN 0.582 nan 8.270 nan 0.000 0.462 73 N N -0.461 118.101 118.700 -0.230 0.000 2.557 73 N HA 0.045 4.785 4.740 -0.000 0.000 0.217 73 N C 0.132 175.502 175.510 -0.234 0.000 1.062 73 N CA 0.178 53.083 53.050 -0.242 0.000 0.863 73 N CB 0.453 38.743 38.487 -0.328 0.000 1.390 73 N HN -0.155 nan 8.380 nan 0.000 0.445 74 V N 3.961 123.669 119.914 -0.343 0.000 2.673 74 V HA -0.039 4.081 4.120 -0.000 0.000 0.303 74 V C 0.477 176.469 176.094 -0.170 0.000 1.046 74 V CA -0.090 62.039 62.300 -0.285 0.000 1.126 74 V CB 0.443 31.956 31.823 -0.516 0.000 0.934 74 V HN 0.202 nan 8.190 nan 0.000 0.487 75 Q N 4.638 124.373 119.800 -0.108 0.000 2.244 75 Q HA 0.067 4.407 4.340 -0.000 0.000 0.278 75 Q C 0.139 176.092 176.000 -0.078 0.000 1.093 75 Q CA 0.307 56.034 55.803 -0.127 0.000 0.916 75 Q CB -0.413 28.330 28.738 0.008 0.000 1.159 75 Q HN 0.778 nan 8.270 nan 0.000 0.384 76 Y N -0.116 120.119 120.300 -0.108 0.000 4.409 76 Y HA -0.325 4.225 4.550 -0.000 0.000 0.228 76 Y C 1.543 177.168 175.900 -0.459 0.000 1.108 76 Y CA 0.553 58.411 58.100 -0.403 0.000 1.955 76 Y CB -1.828 36.423 38.460 -0.349 0.000 1.615 76 Y HN 0.785 nan 8.280 nan 0.000 0.665 77 G N 0.697 109.389 108.800 -0.180 0.000 2.418 77 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.217 77 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.217 77 G C 1.361 176.195 174.900 -0.109 0.000 1.158 77 G CA 0.979 45.984 45.100 -0.158 0.000 0.771 77 G HN 0.804 nan 8.290 nan 0.000 0.545 78 W N 0.717 121.993 121.300 -0.040 0.000 2.342 78 W HA -0.036 4.624 4.660 -0.000 0.000 0.297 78 W C 1.774 178.310 176.519 0.028 0.000 1.213 78 W CA 0.836 58.176 57.345 -0.009 0.000 1.251 78 W CB -1.198 28.251 29.460 -0.018 0.000 1.136 78 W HN 0.196 nan 8.180 nan 0.000 0.526 79 L N 1.794 122.349 121.223 -1.114 0.000 2.027 79 L HA -0.093 4.247 4.340 -0.000 0.000 0.206 79 L C 2.592 179.240 176.870 -0.371 0.000 1.074 79 L CA 1.909 56.144 54.840 -1.009 0.000 0.745 79 L CB -1.066 40.252 42.059 -1.236 0.000 0.898 79 L HN -0.081 nan 8.230 nan 0.000 0.433 80 I N -0.821 119.579 120.570 -0.285 0.000 2.179 80 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 80 I C 2.712 178.823 176.117 -0.011 0.000 1.088 80 I CA 1.078 62.306 61.300 -0.122 0.000 1.357 80 I CB -0.528 37.411 38.000 -0.102 0.000 1.051 80 I HN 0.304 nan 8.210 nan 0.000 0.409 81 R N 1.503 122.004 120.500 0.001 0.000 2.080 81 R HA -0.189 4.151 4.340 -0.000 0.000 0.236 81 R C 1.868 178.251 176.300 0.139 0.000 1.137 81 R CA 2.031 58.180 56.100 0.081 0.000 0.943 81 R CB -0.959 29.388 30.300 0.077 0.000 0.846 81 R HN 0.516 nan 8.270 nan 0.000 0.431 82 N N 0.226 119.005 118.700 0.131 0.000 2.025 82 N HA -0.186 4.554 4.740 -0.000 0.000 0.194 82 N C 2.068 177.688 175.510 0.184 0.000 1.044 82 N CA 1.609 54.763 53.050 0.174 0.000 0.851 82 N CB -0.241 38.360 38.487 0.190 0.000 1.036 82 N HN 0.152 nan 8.380 nan 0.000 0.422 83 L N 0.106 121.396 121.223 0.110 0.000 2.043 83 L HA -0.251 4.089 4.340 -0.000 0.000 0.212 83 L C 2.491 179.535 176.870 0.290 0.000 1.075 83 L CA 1.346 56.285 54.840 0.165 0.000 0.752 83 L CB -0.639 41.428 42.059 0.014 0.000 0.891 83 L HN 0.329 nan 8.230 nan 0.000 0.432 84 H N -0.242 118.907 119.070 0.131 0.000 2.326 84 H HA -0.091 4.465 4.556 -0.000 0.000 0.301 84 H C 2.142 177.570 175.328 0.166 0.000 1.081 84 H CA 1.573 57.700 56.048 0.131 0.000 1.334 84 H CB 0.042 29.852 29.762 0.081 0.000 1.385 84 H HN 0.278 nan 8.280 nan 0.000 0.504 85 A N 0.143 123.081 122.820 0.196 0.000 1.873 85 A HA -0.186 4.134 4.320 -0.000 0.000 0.215 85 A C 2.198 179.898 177.584 0.193 0.000 1.186 85 A CA 1.892 54.028 52.037 0.164 0.000 0.616 85 A CB -0.645 18.469 19.000 0.191 0.000 0.823 85 A HN 0.639 nan 8.150 nan 0.000 0.442 86 N N -0.525 118.331 118.700 0.261 0.000 2.331 86 N HA 0.005 4.745 4.740 -0.000 0.000 0.180 86 N C 1.712 177.318 175.510 0.160 0.000 1.019 86 N CA 0.720 53.956 53.050 0.310 0.000 0.881 86 N CB -0.187 38.580 38.487 0.467 0.000 0.972 86 N HN 0.480 nan 8.380 nan 0.000 0.435 87 G N 0.502 109.387 108.800 0.141 0.000 2.432 87 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.219 87 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.219 87 G C 1.548 176.462 174.900 0.023 0.000 1.135 87 G CA 0.797 45.866 45.100 -0.052 0.000 0.767 87 G HN 0.359 nan 8.290 nan 0.000 0.550 88 A N 0.743 123.585 122.820 0.037 0.000 1.933 88 A HA 0.007 4.327 4.320 -0.000 0.000 0.218 88 A C 2.696 180.342 177.584 0.104 0.000 1.175 88 A CA 2.259 54.315 52.037 0.031 0.000 0.628 88 A CB -0.523 18.488 19.000 0.017 0.000 0.814 88 A HN 0.310 nan 8.150 nan 0.000 0.444 89 S N -1.454 114.388 115.700 0.237 0.000 2.371 89 S HA -0.056 4.414 4.470 -0.000 0.000 0.224 89 S C 1.626 176.452 174.600 0.376 0.000 1.029 89 S CA 1.130 59.611 58.200 0.468 0.000 0.978 89 S CB -0.465 63.162 63.200 0.713 0.000 0.833 89 S HN 0.605 nan 8.310 nan 0.000 0.466 90 F N 1.503 121.433 119.950 -0.034 0.000 2.161 90 F HA -0.118 4.409 4.527 -0.000 0.000 0.300 90 F C 1.825 177.583 175.800 -0.070 0.000 1.089 90 F CA 1.034 58.925 58.000 -0.181 0.000 1.282 90 F CB -0.377 38.217 39.000 -0.676 0.000 1.010 90 F HN 0.150 nan 8.300 nan 0.000 0.485 91 F N -0.042 119.824 119.950 -0.140 0.000 2.069 91 F HA -0.215 4.312 4.527 -0.000 0.000 0.298 91 F C 2.131 177.605 175.800 -0.543 0.000 1.113 91 F CA 1.735 59.524 58.000 -0.352 0.000 1.214 91 F CB -1.165 37.574 39.000 -0.436 0.000 0.978 91 F HN -0.036 nan 8.300 nan 0.000 0.474 92 F N -0.217 119.586 119.950 -0.246 0.000 2.186 92 F HA -0.180 4.347 4.527 -0.000 0.000 0.299 92 F C 2.439 178.010 175.800 -0.382 0.000 1.090 92 F CA 1.201 58.844 58.000 -0.594 0.000 1.307 92 F CB -0.686 37.759 39.000 -0.924 0.000 1.019 92 F HN -0.088 nan 8.300 nan 0.000 0.489 93 I N -0.890 119.814 120.570 0.223 0.000 2.099 93 I HA -0.392 3.778 4.170 -0.000 0.000 0.239 93 I C 2.455 178.506 176.117 -0.110 0.000 1.066 93 I CA 1.326 62.757 61.300 0.218 0.000 1.324 93 I CB -0.656 37.382 38.000 0.064 0.000 1.037 93 I HN 0.216 nan 8.210 nan 0.000 0.401 94 C N 0.399 119.511 119.300 -0.314 0.000 2.403 94 C HA -0.204 4.256 4.460 -0.000 0.000 0.277 94 C C 2.759 177.595 174.990 -0.256 0.000 1.248 94 C CA 0.789 59.597 59.018 -0.349 0.000 1.762 94 C CB -0.865 26.648 27.740 -0.378 0.000 2.014 94 C HN 0.492 nan 8.230 nan 0.000 0.486 95 I N -0.437 119.965 120.570 -0.280 0.000 2.439 95 I HA -0.134 4.036 4.170 -0.000 0.000 0.251 95 I C 1.929 177.967 176.117 -0.132 0.000 1.139 95 I CA 1.471 62.621 61.300 -0.250 0.000 1.438 95 I CB -0.136 37.593 38.000 -0.451 0.000 1.085 95 I HN 0.176 nan 8.210 nan 0.000 0.427 96 F N 0.413 120.360 119.950 -0.005 0.000 2.259 96 F HA -0.097 4.430 4.527 -0.000 0.000 0.298 96 F C 2.141 177.910 175.800 -0.052 0.000 1.088 96 F CA 1.053 59.051 58.000 -0.003 0.000 1.358 96 F CB -0.885 38.149 39.000 0.056 0.000 1.040 96 F HN -0.009 nan 8.300 nan 0.000 0.505 97 L N -1.186 120.033 121.223 -0.007 0.000 2.156 97 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 97 L C 2.461 179.291 176.870 -0.065 0.000 1.095 97 L CA 1.224 55.961 54.840 -0.172 0.000 0.770 97 L CB -0.759 40.820 42.059 -0.801 0.000 0.914 97 L HN 0.157 nan 8.230 nan 0.000 0.439 98 H N 0.603 119.591 119.070 -0.136 0.000 2.326 98 H HA -0.125 4.431 4.556 -0.000 0.000 0.301 98 H C 2.190 177.549 175.328 0.052 0.000 1.081 98 H CA 1.832 57.900 56.048 0.033 0.000 1.334 98 H CB 0.010 29.790 29.762 0.029 0.000 1.385 98 H HN 0.141 nan 8.280 nan 0.000 0.504 99 I N -0.180 120.438 120.570 0.080 0.000 2.226 99 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 99 I C 2.741 178.939 176.117 0.136 0.000 1.100 99 I CA 1.157 62.498 61.300 0.068 0.000 1.374 99 I CB -0.688 37.372 38.000 0.100 0.000 1.057 99 I HN 0.459 nan 8.210 nan 0.000 0.413 100 G N 1.031 109.897 108.800 0.109 0.000 2.514 100 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.217 100 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.217 100 G C 1.783 176.706 174.900 0.040 0.000 1.198 100 G CA 0.744 45.916 45.100 0.120 0.000 0.780 100 G HN 0.184 nan 8.290 nan 0.000 0.565 101 R N 1.259 121.725 120.500 -0.057 0.000 2.134 101 R HA -0.129 4.211 4.340 -0.000 0.000 0.248 101 R C 2.679 178.975 176.300 -0.007 0.000 1.143 101 R CA 2.375 58.420 56.100 -0.091 0.000 0.957 101 R CB -1.419 28.845 30.300 -0.062 0.000 0.867 101 R HN 0.323 nan 8.270 nan 0.000 0.441 102 G N 1.016 109.820 108.800 0.007 0.000 2.422 102 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.218 102 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.218 102 G C 1.481 176.462 174.900 0.136 0.000 1.140 102 G CA 0.651 45.817 45.100 0.109 0.000 0.775 102 G HN 0.371 nan 8.290 nan 0.000 0.545 103 L N -0.667 120.668 121.223 0.186 0.000 2.044 103 L HA 0.144 4.484 4.340 -0.000 0.000 0.205 103 L C 2.431 179.264 176.870 -0.062 0.000 1.075 103 L CA 1.460 56.383 54.840 0.138 0.000 0.747 103 L CB -0.835 41.327 42.059 0.171 0.000 0.903 103 L HN 0.312 nan 8.230 nan 0.000 0.435 104 Y N -1.262 118.758 120.300 -0.468 0.000 2.352 104 Y HA -0.215 4.335 4.550 -0.000 0.000 0.292 104 Y C 1.154 176.536 175.900 -0.865 0.000 1.136 104 Y CA 1.629 59.131 58.100 -0.996 0.000 1.227 104 Y CB -0.034 37.453 38.460 -1.622 0.000 0.991 104 Y HN 0.308 nan 8.280 nan 0.000 0.545 105 Y N -0.827 119.372 120.300 -0.169 0.000 2.584 105 Y HA 0.317 4.867 4.550 -0.000 0.000 0.254 105 Y C 1.541 177.236 175.900 -0.341 0.000 1.177 105 Y CA -0.026 57.978 58.100 -0.158 0.000 1.216 105 Y CB 0.556 39.058 38.460 0.070 0.000 1.172 105 Y HN 0.085 nan 8.280 nan 0.000 0.529 106 G N 0.141 108.663 108.800 -0.464 0.000 2.249 106 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.273 106 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.273 106 G C 1.080 175.254 174.900 -1.211 0.000 1.036 106 G CA 0.751 45.125 45.100 -1.210 0.000 0.824 106 G HN 0.405 nan 8.290 nan 0.000 0.504 107 S N -0.606 114.668 115.700 -0.711 0.000 2.419 107 S HA -0.122 4.348 4.470 -0.000 0.000 0.233 107 S C 1.941 176.246 174.600 -0.491 0.000 1.016 107 S CA 1.773 59.695 58.200 -0.463 0.000 0.974 107 S CB -0.388 62.765 63.200 -0.078 0.000 0.786 107 S HN 0.995 nan 8.310 nan 0.000 0.492 108 Y N 0.966 121.006 120.300 -0.433 0.000 2.651 108 Y HA 0.118 4.668 4.550 -0.000 0.000 0.293 108 Y C 1.422 177.022 175.900 -0.500 0.000 1.151 108 Y CA 0.089 57.766 58.100 -0.705 0.000 1.362 108 Y CB -1.090 36.288 38.460 -1.803 0.000 0.973 108 Y HN 0.145 nan 8.280 nan 0.000 0.561 109 L N -0.609 120.210 121.223 -0.673 0.000 2.551 109 L HA -0.095 4.245 4.340 -0.000 0.000 0.228 109 L C 0.199 176.960 176.870 -0.182 0.000 1.153 109 L CA 0.415 54.989 54.840 -0.444 0.000 0.851 109 L CB -0.418 41.275 42.059 -0.609 0.000 0.959 109 L HN 0.241 nan 8.230 nan 0.000 0.451 110 Y N 0.765 120.996 120.300 -0.115 0.000 2.767 110 Y HA 0.117 4.667 4.550 -0.000 0.000 0.354 110 Y C 1.442 177.354 175.900 0.020 0.000 1.292 110 Y CA -1.114 56.970 58.100 -0.026 0.000 1.749 110 Y CB -0.644 37.826 38.460 0.016 0.000 1.841 110 Y HN 0.020 nan 8.280 nan 0.000 0.454 111 K N 0.423 120.896 120.400 0.121 0.000 2.071 111 K HA -0.316 4.004 4.320 -0.000 0.000 0.217 111 K C 1.365 178.007 176.600 0.070 0.000 1.054 111 K CA 2.561 58.897 56.287 0.081 0.000 0.937 111 K CB 0.162 32.667 32.500 0.008 0.000 0.719 111 K HN 0.479 nan 8.250 nan 0.000 0.454 112 E N -0.281 119.842 120.200 -0.128 0.000 2.072 112 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 112 E C 2.060 178.506 176.600 -0.256 0.000 0.985 112 E CA 1.543 57.656 56.400 -0.479 0.000 0.801 112 E CB -0.310 28.534 29.700 -1.428 0.000 0.750 112 E HN 0.241 nan 8.360 nan 0.000 0.452 113 T N 0.748 115.279 114.554 -0.039 0.000 2.746 113 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 113 T C 1.254 176.116 174.700 0.270 0.000 1.039 113 T CA 1.157 63.320 62.100 0.105 0.000 1.142 113 T CB -0.361 68.546 68.868 0.065 0.000 0.866 113 T HN 0.387 nan 8.240 nan 0.000 0.444 114 W N 2.641 124.006 121.300 0.108 0.000 2.354 114 W HA -0.157 4.503 4.660 0.000 0.000 0.315 114 W C 1.850 178.437 176.519 0.112 0.000 1.206 114 W CA 1.104 58.521 57.345 0.121 0.000 1.290 114 W CB -0.478 29.030 29.460 0.080 0.000 1.152 114 W HN 0.221 nan 8.180 nan 0.000 0.489 115 N N 0.132 118.977 118.700 0.242 0.000 2.166 115 N HA -0.183 4.557 4.740 -0.000 0.000 0.186 115 N C 1.785 177.380 175.510 0.143 0.000 1.019 115 N CA 2.875 56.069 53.050 0.240 0.000 0.856 115 N CB -1.046 37.624 38.487 0.306 0.000 0.993 115 N HN 0.285 nan 8.380 nan 0.000 0.426 116 T N -2.014 112.621 114.554 0.134 0.000 2.833 116 T HA -0.036 4.314 4.350 -0.000 0.000 0.269 116 T C 2.074 176.766 174.700 -0.013 0.000 1.054 116 T CA 1.305 63.494 62.100 0.149 0.000 1.135 116 T CB -0.739 68.315 68.868 0.310 0.000 0.869 116 T HN 0.189 nan 8.240 nan 0.000 0.466 117 G N 1.209 109.972 108.800 -0.062 0.000 2.418 117 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.217 117 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.217 117 G C 1.632 176.297 174.900 -0.391 0.000 1.158 117 G CA 0.909 45.810 45.100 -0.332 0.000 0.771 117 G HN 0.496 nan 8.290 nan 0.000 0.545 118 V N 1.204 120.833 119.914 -0.475 0.000 2.407 118 V HA -0.136 3.984 4.120 -0.000 0.000 0.248 118 V C 2.744 178.670 176.094 -0.280 0.000 1.055 118 V CA 1.305 63.281 62.300 -0.539 0.000 1.049 118 V CB -0.386 30.836 31.823 -1.002 0.000 0.662 118 V HN 0.384 nan 8.190 nan 0.000 0.455 119 I N -0.496 120.014 120.570 -0.101 0.000 2.286 119 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 119 I C 2.363 178.432 176.117 -0.081 0.000 1.115 119 I CA 1.533 62.833 61.300 0.001 0.000 1.392 119 I CB -0.263 37.784 38.000 0.078 0.000 1.065 119 I HN 0.279 nan 8.210 nan 0.000 0.418 120 L N -0.065 121.066 121.223 -0.153 0.000 2.042 120 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 120 L C 2.579 179.322 176.870 -0.211 0.000 1.076 120 L CA 1.037 55.762 54.840 -0.191 0.000 0.749 120 L CB -0.515 41.377 42.059 -0.277 0.000 0.893 120 L HN 0.300 nan 8.230 nan 0.000 0.432 121 L N -0.138 120.954 121.223 -0.217 0.000 2.017 121 L HA -0.205 4.134 4.340 -0.000 0.000 0.208 121 L C 2.299 179.113 176.870 -0.095 0.000 1.073 121 L CA 1.765 56.493 54.840 -0.187 0.000 0.745 121 L CB -0.504 41.461 42.059 -0.158 0.000 0.894 121 L HN 0.098 nan 8.230 nan 0.000 0.432 122 L N -1.044 120.138 121.223 -0.068 0.000 2.046 122 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 122 L C 2.353 179.213 176.870 -0.017 0.000 1.077 122 L CA 1.801 56.636 54.840 -0.010 0.000 0.747 122 L CB -1.299 40.768 42.059 0.012 0.000 0.896 122 L HN 0.299 nan 8.230 nan 0.000 0.432 123 T N 0.451 114.973 114.554 -0.054 0.000 2.746 123 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 123 T C 1.846 176.484 174.700 -0.103 0.000 1.039 123 T CA 1.290 63.352 62.100 -0.063 0.000 1.142 123 T CB -0.299 68.524 68.868 -0.075 0.000 0.866 123 T HN 0.143 nan 8.240 nan 0.000 0.444 124 L N 0.795 121.897 121.223 -0.200 0.000 2.083 124 L HA 0.019 4.359 4.340 -0.000 0.000 0.209 124 L C 2.211 179.021 176.870 -0.100 0.000 1.083 124 L CA 1.699 56.321 54.840 -0.364 0.000 0.752 124 L CB -0.664 40.961 42.059 -0.723 0.000 0.899 124 L HN 0.256 nan 8.230 nan 0.000 0.433 125 M N -0.994 118.680 119.600 0.123 0.000 2.099 125 M HA -0.124 4.356 4.480 -0.000 0.000 0.262 125 M C 2.350 178.873 176.300 0.372 0.000 1.067 125 M CA 1.689 57.257 55.300 0.447 0.000 1.124 125 M CB -0.671 32.172 32.600 0.406 0.000 1.353 125 M HN 0.412 nan 8.290 nan 0.000 0.410 126 A N 0.216 123.140 122.820 0.175 0.000 1.908 126 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 126 A C 2.210 179.916 177.584 0.203 0.000 1.181 126 A CA 2.357 54.486 52.037 0.154 0.000 0.627 126 A CB -1.235 17.790 19.000 0.043 0.000 0.818 126 A HN 0.478 nan 8.150 nan 0.000 0.445 127 T N 0.393 115.020 114.554 0.123 0.000 2.622 127 T HA -0.078 4.272 4.350 -0.000 0.000 0.266 127 T C 2.265 177.129 174.700 0.273 0.000 1.047 127 T CA 1.950 64.137 62.100 0.145 0.000 1.159 127 T CB -0.623 68.221 68.868 -0.040 0.000 0.863 127 T HN 0.634 nan 8.240 nan 0.000 0.422 128 A N 0.908 123.861 122.820 0.221 0.000 1.940 128 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 128 A C 2.030 179.791 177.584 0.295 0.000 1.176 128 A CA 1.558 53.732 52.037 0.229 0.000 0.631 128 A CB -0.999 18.112 19.000 0.185 0.000 0.814 128 A HN 0.484 nan 8.150 nan 0.000 0.446 129 F N 1.203 121.313 119.950 0.267 0.000 2.075 129 F HA -0.198 4.329 4.527 -0.000 0.000 0.297 129 F C 2.372 178.295 175.800 0.205 0.000 1.113 129 F CA 2.394 60.565 58.000 0.286 0.000 1.218 129 F CB -0.471 38.674 39.000 0.242 0.000 0.984 129 F HN 0.134 nan 8.300 nan 0.000 0.472 130 V N -0.849 119.094 119.914 0.047 0.000 2.626 130 V HA 0.032 4.152 4.120 -0.000 0.000 0.252 130 V C 2.360 178.404 176.094 -0.083 0.000 1.067 130 V CA 1.746 63.968 62.300 -0.131 0.000 1.081 130 V CB -1.853 29.828 31.823 -0.236 0.000 0.686 130 V HN 0.395 nan 8.190 nan 0.000 0.468 131 G N -1.094 107.553 108.800 -0.256 0.000 2.408 131 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 131 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 131 G C 1.479 176.233 174.900 -0.243 0.000 1.150 131 G CA 1.007 45.612 45.100 -0.824 0.000 0.776 131 G HN 0.597 nan 8.290 nan 0.000 0.542 132 Y N 1.265 121.461 120.300 -0.174 0.000 2.315 132 Y HA -0.108 4.442 4.550 -0.000 0.000 0.288 132 Y C 2.706 178.576 175.900 -0.050 0.000 1.154 132 Y CA 1.071 59.114 58.100 -0.094 0.000 1.229 132 Y CB 0.043 38.455 38.460 -0.081 0.000 0.980 132 Y HN 0.062 nan 8.280 nan 0.000 0.540 133 V N -0.121 119.795 119.914 0.003 0.000 2.719 133 V HA -0.275 3.845 4.120 -0.000 0.000 0.252 133 V C 2.343 178.552 176.094 0.192 0.000 1.065 133 V CA 1.398 63.756 62.300 0.096 0.000 1.086 133 V CB -0.685 31.307 31.823 0.282 0.000 0.700 133 V HN 0.391 nan 8.190 nan 0.000 0.467 134 L N 0.944 122.226 121.223 0.098 0.000 2.051 134 L HA -0.152 4.188 4.340 -0.000 0.000 0.214 134 L C 0.171 177.162 176.870 0.201 0.000 1.076 134 L CA 1.823 56.726 54.840 0.105 0.000 0.758 134 L CB -2.098 39.831 42.059 -0.217 0.000 0.890 134 L HN 0.398 nan 8.230 nan 0.000 0.433 135 P HA -0.251 nan 4.420 nan 0.000 0.226 135 P C 0.416 177.902 177.300 0.311 0.000 1.153 135 P CA 0.716 63.877 63.100 0.101 0.000 0.777 135 P CB -0.127 31.510 31.700 -0.104 0.000 0.794 136 W N 0.457 121.782 121.300 0.041 0.000 5.563 136 W HA -0.145 4.515 4.660 -0.000 0.000 0.396 136 W C -0.138 176.485 176.519 0.172 0.000 1.519 136 W CA 0.220 57.621 57.345 0.094 0.000 0.953 136 W CB -1.427 28.095 29.460 0.104 0.000 2.691 136 W HN -0.037 nan 8.180 nan 0.000 1.444 137 G N 0.684 109.533 108.800 0.083 0.000 2.531 137 G HA2 0.200 4.160 3.960 -0.000 0.000 0.281 137 G HA3 0.200 4.160 3.960 -0.000 0.000 0.281 137 G C 0.530 175.398 174.900 -0.053 0.000 1.382 137 G CA 0.057 45.211 45.100 0.089 0.000 1.045 137 G HN 0.203 nan 8.290 nan 0.000 0.533 138 Q N -1.273 118.555 119.800 0.047 0.000 2.079 138 Q HA -0.065 4.275 4.340 -0.000 0.000 0.200 138 Q C 2.462 178.636 176.000 0.290 0.000 0.974 138 Q CA 1.116 57.024 55.803 0.176 0.000 0.840 138 Q CB -0.259 28.586 28.738 0.179 0.000 0.898 138 Q HN 0.466 nan 8.270 nan 0.000 0.430 139 M N 0.130 119.849 119.600 0.198 0.000 2.394 139 M HA -0.027 4.453 4.480 -0.000 0.000 0.264 139 M C 1.903 178.333 176.300 0.217 0.000 1.073 139 M CA 0.930 56.386 55.300 0.260 0.000 1.111 139 M CB -0.088 32.694 32.600 0.304 0.000 1.401 139 M HN -0.036 nan 8.290 nan 0.000 0.448 140 S N -0.145 115.547 115.700 -0.013 0.000 2.343 140 S HA -0.136 4.334 4.470 -0.000 0.000 0.219 140 S C 1.710 176.228 174.600 -0.136 0.000 1.033 140 S CA 1.585 59.701 58.200 -0.140 0.000 1.014 140 S CB -0.726 62.347 63.200 -0.212 0.000 0.915 140 S HN 0.607 nan 8.310 nan 0.000 0.435 141 F N 0.832 120.490 119.950 -0.487 0.000 2.102 141 F HA -0.078 4.449 4.527 -0.000 0.000 0.298 141 F C 1.811 177.289 175.800 -0.536 0.000 1.105 141 F CA 1.237 58.786 58.000 -0.752 0.000 1.239 141 F CB -0.461 37.857 39.000 -1.136 0.000 0.991 141 F HN 0.212 nan 8.300 nan 0.000 0.474 142 W N 0.419 121.638 121.300 -0.136 0.000 2.402 142 W HA 0.065 4.725 4.660 -0.000 0.000 0.286 142 W C 2.655 179.125 176.519 -0.082 0.000 1.221 142 W CA 1.252 58.517 57.345 -0.133 0.000 1.257 142 W CB -1.132 28.346 29.460 0.031 0.000 1.120 142 W HN 0.115 nan 8.180 nan 0.000 0.551 143 G N 0.272 109.164 108.800 0.154 0.000 2.404 143 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.215 143 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.215 143 G C 1.693 176.700 174.900 0.178 0.000 1.174 143 G CA 1.412 46.617 45.100 0.174 0.000 0.780 143 G HN 0.275 nan 8.290 nan 0.000 0.537 144 A N 0.319 123.160 122.820 0.037 0.000 1.908 144 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 144 A C 2.535 180.189 177.584 0.117 0.000 1.181 144 A CA 2.616 54.721 52.037 0.114 0.000 0.627 144 A CB -1.054 17.901 19.000 -0.075 0.000 0.818 144 A HN 0.314 nan 8.150 nan 0.000 0.445 145 T N -0.514 113.905 114.554 -0.226 0.000 2.674 145 T HA -0.107 4.243 4.350 -0.000 0.000 0.265 145 T C 1.910 176.667 174.700 0.096 0.000 1.039 145 T CA 1.519 63.498 62.100 -0.203 0.000 1.150 145 T CB -0.506 67.974 68.868 -0.646 0.000 0.864 145 T HN 0.147 nan 8.240 nan 0.000 0.427 146 V N 2.114 122.108 119.914 0.134 0.000 2.220 146 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 146 V C 2.555 178.738 176.094 0.148 0.000 1.049 146 V CA 1.508 63.916 62.300 0.179 0.000 1.003 146 V CB -0.622 31.333 31.823 0.220 0.000 0.634 146 V HN 0.414 nan 8.190 nan 0.000 0.444 147 I N 1.161 121.840 120.570 0.182 0.000 2.118 147 I HA -0.255 3.915 4.170 -0.000 0.000 0.241 147 I C 2.818 178.999 176.117 0.106 0.000 1.070 147 I CA 2.597 63.962 61.300 0.109 0.000 1.327 147 I CB -1.962 36.134 38.000 0.161 0.000 1.034 147 I HN 0.597 nan 8.210 nan 0.000 0.405 148 T N -1.322 113.425 114.554 0.321 0.000 2.881 148 T HA -0.132 4.218 4.350 -0.000 0.000 0.270 148 T C 1.675 176.474 174.700 0.165 0.000 1.068 148 T CA 1.172 63.488 62.100 0.360 0.000 1.131 148 T CB -0.481 68.693 68.868 0.511 0.000 0.871 148 T HN 0.232 nan 8.240 nan 0.000 0.479 149 N N 1.098 119.903 118.700 0.175 0.000 2.396 149 N HA 0.105 4.845 4.740 -0.000 0.000 0.180 149 N C 1.836 177.288 175.510 -0.096 0.000 1.028 149 N CA 0.549 53.653 53.050 0.091 0.000 0.893 149 N CB -0.295 38.307 38.487 0.193 0.000 0.967 149 N HN 0.461 nan 8.380 nan 0.000 0.440 150 L N -0.364 120.714 121.223 -0.242 0.000 2.081 150 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 150 L C 1.595 178.162 176.870 -0.506 0.000 1.080 150 L CA 1.248 55.823 54.840 -0.441 0.000 0.754 150 L CB -0.593 41.047 42.059 -0.697 0.000 0.893 150 L HN 0.105 nan 8.230 nan 0.000 0.433 151 F N -0.118 119.769 119.950 -0.106 0.000 2.604 151 F HA -0.110 4.417 4.527 -0.000 0.000 0.298 151 F C 2.609 178.302 175.800 -0.178 0.000 1.131 151 F CA 0.725 58.647 58.000 -0.130 0.000 1.457 151 F CB -0.499 38.426 39.000 -0.125 0.000 1.095 151 F HN 0.133 nan 8.300 nan 0.000 0.574 152 S N -0.145 115.466 115.700 -0.148 0.000 2.603 152 S HA 0.055 4.525 4.470 -0.000 0.000 0.229 152 S C 1.812 176.249 174.600 -0.271 0.000 0.972 152 S CA 0.467 58.453 58.200 -0.357 0.000 0.935 152 S CB -0.355 62.475 63.200 -0.617 0.000 0.769 152 S HN 0.269 nan 8.310 nan 0.000 0.536 153 A N 0.880 123.617 122.820 -0.139 0.000 2.218 153 A HA 0.438 4.758 4.320 -0.000 0.000 0.209 153 A C 0.771 178.326 177.584 -0.048 0.000 1.168 153 A CA -0.291 51.697 52.037 -0.081 0.000 0.804 153 A CB -0.373 18.570 19.000 -0.095 0.000 0.834 153 A HN 0.563 nan 8.150 nan 0.000 0.482 154 I N 1.365 121.921 120.570 -0.023 0.000 2.692 154 I HA 0.111 4.281 4.170 -0.000 0.000 0.284 154 I C -2.245 173.847 176.117 -0.042 0.000 1.159 154 I CA -1.812 59.479 61.300 -0.015 0.000 1.423 154 I CB 0.919 38.936 38.000 0.029 0.000 1.380 154 I HN 0.042 nan 8.210 nan 0.000 0.580 155 P HA 0.049 nan 4.420 nan 0.000 0.267 155 P C -0.355 176.858 177.300 -0.145 0.000 1.205 155 P CA 0.452 63.384 63.100 -0.280 0.000 0.765 155 P CB 0.195 31.541 31.700 -0.592 0.000 0.828 156 Y N 1.062 121.393 120.300 0.050 0.000 2.742 156 Y HA -0.355 4.195 4.550 -0.000 0.000 0.485 156 Y C 1.537 177.469 175.900 0.053 0.000 1.119 156 Y CA 0.846 58.974 58.100 0.047 0.000 2.917 156 Y CB -1.716 36.759 38.460 0.024 0.000 0.951 156 Y HN 0.347 nan 8.280 nan 0.000 0.562 157 I N -0.355 120.334 120.570 0.200 0.000 3.812 157 I HA 0.348 4.518 4.170 -0.000 0.000 0.320 157 I C 1.845 178.013 176.117 0.084 0.000 1.276 157 I CA 0.674 62.041 61.300 0.111 0.000 1.164 157 I CB -0.375 37.660 38.000 0.058 0.000 1.009 157 I HN 0.295 nan 8.210 nan 0.000 0.431 158 G N 1.862 110.719 108.800 0.095 0.000 2.736 158 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.214 158 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.214 158 G C 1.416 176.315 174.900 -0.002 0.000 1.327 158 G CA 1.036 46.153 45.100 0.028 0.000 0.818 158 G HN 0.485 nan 8.290 nan 0.000 0.611 159 H N 0.311 119.415 119.070 0.057 0.000 2.394 159 H HA -0.116 4.440 4.556 -0.000 0.000 0.297 159 H C 2.880 178.244 175.328 0.060 0.000 1.113 159 H CA 1.800 57.882 56.048 0.057 0.000 1.277 159 H CB -0.496 29.322 29.762 0.094 0.000 1.370 159 H HN 0.291 nan 8.280 nan 0.000 0.506 160 T N 1.679 116.341 114.554 0.180 0.000 2.643 160 T HA -0.138 4.212 4.350 -0.000 0.000 0.264 160 T C 2.248 177.023 174.700 0.125 0.000 1.045 160 T CA 1.187 63.372 62.100 0.142 0.000 1.155 160 T CB -0.583 68.341 68.868 0.093 0.000 0.863 160 T HN 0.155 nan 8.240 nan 0.000 0.420 161 L N 1.576 122.841 121.223 0.069 0.000 2.043 161 L HA -0.096 4.244 4.340 -0.000 0.000 0.212 161 L C 2.354 179.274 176.870 0.084 0.000 1.075 161 L CA 1.630 56.520 54.840 0.083 0.000 0.752 161 L CB -0.838 41.225 42.059 0.007 0.000 0.891 161 L HN 0.099 nan 8.230 nan 0.000 0.432 162 V N -0.053 119.814 119.914 -0.078 0.000 2.270 162 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 162 V C 2.532 178.357 176.094 -0.448 0.000 1.043 162 V CA 2.131 64.201 62.300 -0.384 0.000 1.014 162 V CB -0.760 30.708 31.823 -0.592 0.000 0.645 162 V HN 0.512 nan 8.190 nan 0.000 0.447 163 E N -1.301 118.827 120.200 -0.120 0.000 2.268 163 E HA -0.257 4.093 4.350 -0.000 0.000 0.195 163 E C 1.892 178.600 176.600 0.180 0.000 0.995 163 E CA 1.386 57.875 56.400 0.147 0.000 0.836 163 E CB -0.163 29.704 29.700 0.278 0.000 0.763 163 E HN 0.787 nan 8.360 nan 0.000 0.491 164 W N 1.578 122.878 121.300 -0.001 0.000 2.408 164 W HA -0.069 4.591 4.660 -0.000 0.000 0.311 164 W C 2.436 178.983 176.519 0.045 0.000 1.190 164 W CA 1.777 59.135 57.345 0.021 0.000 1.321 164 W CB -0.512 28.951 29.460 0.005 0.000 1.143 164 W HN -0.014 nan 8.180 nan 0.000 0.501 165 A N -0.088 122.727 122.820 -0.010 0.000 1.917 165 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 165 A C 1.801 179.404 177.584 0.032 0.000 1.182 165 A CA 1.829 53.808 52.037 -0.096 0.000 0.633 165 A CB -1.617 17.393 19.000 0.016 0.000 0.819 165 A HN 0.519 nan 8.150 nan 0.000 0.448 166 W N -1.254 120.033 121.300 -0.021 0.000 2.425 166 W HA 0.205 4.865 4.660 -0.000 0.000 0.277 166 W C 1.795 178.232 176.519 -0.136 0.000 1.231 166 W CA 1.036 58.343 57.345 -0.062 0.000 1.248 166 W CB -1.210 28.240 29.460 -0.016 0.000 1.117 166 W HN 0.691 nan 8.180 nan 0.000 0.568 167 G N 0.308 109.141 108.800 0.055 0.000 2.160 167 G HA2 0.040 4.000 3.960 -0.000 0.000 0.244 167 G HA3 0.040 4.000 3.960 -0.000 0.000 0.244 167 G C 0.460 175.304 174.900 -0.094 0.000 1.022 167 G CA 0.487 45.542 45.100 -0.075 0.000 0.741 167 G HN 0.740 nan 8.290 nan 0.000 0.508 168 G N -1.942 106.815 108.800 -0.072 0.000 2.441 168 G HA2 0.505 4.465 3.960 -0.000 0.000 0.225 168 G HA3 0.505 4.465 3.960 -0.000 0.000 0.225 168 G C 0.115 174.860 174.900 -0.258 0.000 1.200 168 G CA 0.093 44.979 45.100 -0.356 0.000 0.947 168 G HN 0.439 nan 8.290 nan 0.000 0.484 169 F N 1.786 121.831 119.950 0.157 0.000 2.721 169 F HA 0.459 4.986 4.527 -0.000 0.000 0.301 169 F C 1.336 177.081 175.800 -0.092 0.000 1.096 169 F CA 0.540 58.648 58.000 0.181 0.000 1.308 169 F CB 0.845 39.912 39.000 0.111 0.000 1.086 169 F HN 0.556 nan 8.300 nan 0.000 0.587 170 S N -1.690 113.810 115.700 -0.333 0.000 2.636 170 S HA 0.445 4.915 4.470 -0.000 0.000 0.268 170 S C -1.002 172.984 174.600 -1.023 0.000 1.159 170 S CA -1.097 56.507 58.200 -0.993 0.000 0.815 170 S CB 1.331 64.294 63.200 -0.395 0.000 1.130 170 S HN -0.262 nan 8.310 nan 0.000 0.471 171 V N 2.280 121.571 119.914 -1.038 0.000 2.425 171 V HA 0.379 4.499 4.120 -0.000 0.000 0.276 171 V C -0.015 176.074 176.094 -0.007 0.000 1.017 171 V CA 0.866 62.839 62.300 -0.545 0.000 1.062 171 V CB -0.017 31.483 31.823 -0.538 0.000 0.997 171 V HN 0.881 nan 8.190 nan 0.000 0.476 172 D N 3.146 123.533 120.400 -0.022 0.000 2.867 172 D HA 0.188 4.828 4.640 -0.000 0.000 0.308 172 D C 0.986 177.213 176.300 -0.121 0.000 1.202 172 D CA -0.708 53.317 54.000 0.041 0.000 1.035 172 D CB 1.389 42.168 40.800 -0.035 0.000 1.427 172 D HN 0.244 nan 8.370 nan 0.000 0.570 173 N N -0.064 118.523 118.700 -0.189 0.000 2.137 173 N HA -0.077 4.663 4.740 -0.000 0.000 0.190 173 N C -1.328 174.053 175.510 -0.214 0.000 1.017 173 N CA 1.818 54.697 53.050 -0.285 0.000 0.859 173 N CB -0.331 38.020 38.487 -0.227 0.000 1.002 173 N HN 0.229 nan 8.380 nan 0.000 0.428 174 P HA 0.011 nan 4.420 nan 0.000 0.233 174 P C 0.484 177.720 177.300 -0.107 0.000 1.167 174 P CA 1.105 64.139 63.100 -0.111 0.000 0.770 174 P CB 0.130 31.774 31.700 -0.093 0.000 0.837 175 T N 0.147 114.606 114.554 -0.158 0.000 2.939 175 T HA -0.029 4.321 4.350 -0.000 0.000 0.254 175 T C 1.731 176.236 174.700 -0.325 0.000 1.041 175 T CA 0.380 62.331 62.100 -0.248 0.000 1.142 175 T CB -0.765 67.920 68.868 -0.305 0.000 0.874 175 T HN -0.011 nan 8.240 nan 0.000 0.452 176 L N 2.345 123.390 121.223 -0.296 0.000 1.989 176 L HA -0.130 4.210 4.340 -0.000 0.000 0.211 176 L C 2.717 179.599 176.870 0.020 0.000 1.071 176 L CA 2.438 57.151 54.840 -0.212 0.000 0.749 176 L CB -1.427 40.322 42.059 -0.518 0.000 0.890 176 L HN 0.442 nan 8.230 nan 0.000 0.431 177 T N -1.633 112.908 114.554 -0.020 0.000 2.759 177 T HA -0.263 4.087 4.350 -0.000 0.000 0.269 177 T C 1.895 176.720 174.700 0.209 0.000 1.042 177 T CA 1.427 63.589 62.100 0.102 0.000 1.140 177 T CB -0.718 68.165 68.868 0.026 0.000 0.864 177 T HN 0.641 nan 8.240 nan 0.000 0.455 178 R N -0.513 120.090 120.500 0.172 0.000 2.153 178 R HA 0.121 4.461 4.340 -0.000 0.000 0.218 178 R C 1.821 178.362 176.300 0.402 0.000 1.072 178 R CA 0.673 56.908 56.100 0.224 0.000 0.990 178 R CB -0.657 29.735 30.300 0.152 0.000 0.889 178 R HN 0.300 nan 8.270 nan 0.000 0.452 179 F N 0.852 120.896 119.950 0.157 0.000 2.259 179 F HA 0.049 4.576 4.527 -0.000 0.000 0.298 179 F C 1.984 177.944 175.800 0.266 0.000 1.088 179 F CA -0.030 58.084 58.000 0.190 0.000 1.358 179 F CB -0.677 38.427 39.000 0.174 0.000 1.040 179 F HN -0.055 nan 8.300 nan 0.000 0.505 180 F N 0.397 120.549 119.950 0.336 0.000 2.102 180 F HA -0.135 4.392 4.527 -0.000 0.000 0.298 180 F C 2.364 178.347 175.800 0.305 0.000 1.105 180 F CA 1.396 59.578 58.000 0.303 0.000 1.239 180 F CB -0.263 38.926 39.000 0.316 0.000 0.991 180 F HN -0.081 nan 8.300 nan 0.000 0.474 181 A N 0.851 123.780 122.820 0.182 0.000 1.883 181 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 181 A C 2.227 179.838 177.584 0.045 0.000 1.186 181 A CA 1.878 53.928 52.037 0.022 0.000 0.624 181 A CB -1.253 17.790 19.000 0.071 0.000 0.822 181 A HN 0.525 nan 8.150 nan 0.000 0.444 182 L N -1.749 119.536 121.223 0.104 0.000 2.046 182 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 182 L C 2.665 179.578 176.870 0.071 0.000 1.077 182 L CA 1.834 56.716 54.840 0.070 0.000 0.747 182 L CB -0.489 41.589 42.059 0.032 0.000 0.896 182 L HN 0.656 nan 8.230 nan 0.000 0.432 183 H N -0.982 118.095 119.070 0.012 0.000 2.423 183 H HA -0.218 4.338 4.556 -0.000 0.000 0.297 183 H C 1.903 177.193 175.328 -0.064 0.000 1.075 183 H CA 1.526 57.565 56.048 -0.016 0.000 1.342 183 H CB -0.054 29.732 29.762 0.040 0.000 1.395 183 H HN 0.301 nan 8.280 nan 0.000 0.530 184 F N -0.910 118.858 119.950 -0.304 0.000 2.187 184 F HA -0.083 4.444 4.527 -0.000 0.000 0.295 184 F C 2.072 177.720 175.800 -0.254 0.000 1.091 184 F CA 0.493 58.282 58.000 -0.352 0.000 1.308 184 F CB 0.048 38.820 39.000 -0.380 0.000 1.030 184 F HN 0.273 nan 8.300 nan 0.000 0.487 185 L N 0.632 121.958 121.223 0.173 0.000 2.007 185 L HA -0.139 4.201 4.340 -0.000 0.000 0.205 185 L C 2.060 178.954 176.870 0.041 0.000 1.073 185 L CA 1.717 56.670 54.840 0.188 0.000 0.744 185 L CB -1.089 41.038 42.059 0.112 0.000 0.898 185 L HN 0.146 nan 8.230 nan 0.000 0.435 186 L N -0.154 121.042 121.223 -0.046 0.000 2.064 186 L HA -0.242 4.098 4.340 -0.000 0.000 0.216 186 L C -0.068 176.704 176.870 -0.163 0.000 1.077 186 L CA 1.807 56.600 54.840 -0.079 0.000 0.766 186 L CB -2.239 39.774 42.059 -0.076 0.000 0.890 186 L HN 0.287 nan 8.230 nan 0.000 0.435 187 P HA -0.192 nan 4.420 nan 0.000 0.218 187 P C 1.519 178.629 177.300 -0.317 0.000 1.148 187 P CA 1.574 64.430 63.100 -0.406 0.000 0.822 187 P CB -0.049 31.275 31.700 -0.627 0.000 0.784 188 F N -0.453 119.485 119.950 -0.020 0.000 2.186 188 F HA -0.113 4.414 4.527 -0.000 0.000 0.299 188 F C 2.458 178.254 175.800 -0.006 0.000 1.090 188 F CA 0.691 58.691 58.000 -0.000 0.000 1.307 188 F CB -0.933 38.081 39.000 0.023 0.000 1.019 188 F HN -0.111 nan 8.300 nan 0.000 0.489 189 A N 0.674 123.572 122.820 0.132 0.000 1.933 189 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 189 A C 2.153 179.755 177.584 0.030 0.000 1.175 189 A CA 1.415 53.495 52.037 0.072 0.000 0.628 189 A CB -1.018 18.007 19.000 0.041 0.000 0.814 189 A HN 0.407 nan 8.150 nan 0.000 0.444 190 I N -0.270 120.292 120.570 -0.014 0.000 2.179 190 I HA -0.297 3.872 4.170 -0.000 0.000 0.242 190 I C 2.999 179.118 176.117 0.003 0.000 1.088 190 I CA 1.097 62.374 61.300 -0.037 0.000 1.357 190 I CB -0.419 37.528 38.000 -0.087 0.000 1.051 190 I HN 0.365 nan 8.210 nan 0.000 0.409 191 A N 1.029 123.871 122.820 0.036 0.000 1.908 191 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 191 A C 2.429 180.046 177.584 0.055 0.000 1.181 191 A CA 2.043 54.116 52.037 0.061 0.000 0.627 191 A CB -1.476 17.594 19.000 0.117 0.000 0.818 191 A HN 0.471 nan 8.150 nan 0.000 0.445 192 G N 0.133 108.972 108.800 0.066 0.000 2.453 192 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.215 192 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.215 192 G C 1.504 176.427 174.900 0.038 0.000 1.201 192 G CA 1.172 46.301 45.100 0.048 0.000 0.784 192 G HN 0.482 nan 8.290 nan 0.000 0.545 193 I N 0.990 121.583 120.570 0.038 0.000 2.335 193 I HA -0.173 3.997 4.170 -0.000 0.000 0.251 193 I C 2.906 179.057 176.117 0.056 0.000 1.129 193 I CA 1.317 62.645 61.300 0.047 0.000 1.402 193 I CB -0.431 37.586 38.000 0.028 0.000 1.069 193 I HN 0.100 nan 8.210 nan 0.000 0.424 194 T N 1.253 115.826 114.554 0.032 0.000 2.788 194 T HA -0.110 4.240 4.350 -0.000 0.000 0.268 194 T C 1.959 176.704 174.700 0.075 0.000 1.044 194 T CA 1.121 63.251 62.100 0.050 0.000 1.139 194 T CB -0.087 68.794 68.868 0.023 0.000 0.867 194 T HN 0.152 nan 8.240 nan 0.000 0.454 195 I N 1.438 122.027 120.570 0.033 0.000 2.163 195 I HA -0.124 4.046 4.170 -0.000 0.000 0.243 195 I C 2.356 178.459 176.117 -0.023 0.000 1.085 195 I CA 1.154 62.450 61.300 -0.006 0.000 1.347 195 I CB -1.212 36.779 38.000 -0.016 0.000 1.044 195 I HN 0.238 nan 8.210 nan 0.000 0.408 196 I N 0.317 120.894 120.570 0.012 0.000 2.163 196 I HA -0.325 3.845 4.170 -0.000 0.000 0.243 196 I C 2.638 178.822 176.117 0.113 0.000 1.085 196 I CA 1.664 62.962 61.300 -0.004 0.000 1.347 196 I CB -1.710 36.343 38.000 0.089 0.000 1.044 196 I HN 0.294 nan 8.210 nan 0.000 0.408 197 H N 1.683 120.805 119.070 0.086 0.000 2.252 197 H HA -0.177 4.379 4.556 -0.000 0.000 0.292 197 H C 2.237 177.592 175.328 0.045 0.000 1.082 197 H CA 2.034 58.156 56.048 0.124 0.000 1.229 197 H CB -0.438 29.366 29.762 0.070 0.000 1.353 197 H HN 0.203 nan 8.280 nan 0.000 0.488 198 L N -0.774 120.420 121.223 -0.047 0.000 2.191 198 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 198 L C 2.475 179.031 176.870 -0.522 0.000 1.103 198 L CA 1.532 56.176 54.840 -0.326 0.000 0.769 198 L CB -0.546 41.323 42.059 -0.317 0.000 0.908 198 L HN 0.377 nan 8.230 nan 0.000 0.438 199 T N -0.340 114.025 114.554 -0.315 0.000 2.737 199 T HA -0.134 4.216 4.350 -0.000 0.000 0.265 199 T C 1.632 176.193 174.700 -0.231 0.000 1.038 199 T CA 1.341 63.258 62.100 -0.305 0.000 1.144 199 T CB -0.240 68.443 68.868 -0.308 0.000 0.866 199 T HN 0.077 nan 8.240 nan 0.000 0.434 200 F N 0.980 120.863 119.950 -0.113 0.000 2.134 200 F HA 0.022 4.549 4.527 -0.000 0.000 0.299 200 F C 2.105 177.817 175.800 -0.147 0.000 1.097 200 F CA 0.349 58.297 58.000 -0.087 0.000 1.264 200 F CB -0.942 38.033 39.000 -0.041 0.000 1.001 200 F HN 0.058 nan 8.300 nan 0.000 0.479 201 L N 0.024 121.236 121.223 -0.018 0.000 2.013 201 L HA -0.273 4.067 4.340 -0.000 0.000 0.212 201 L C 2.264 179.115 176.870 -0.031 0.000 1.073 201 L CA 2.117 56.887 54.840 -0.117 0.000 0.753 201 L CB -1.098 40.874 42.059 -0.146 0.000 0.890 201 L HN 0.277 nan 8.230 nan 0.000 0.432 202 H N -1.140 117.879 119.070 -0.085 0.000 2.543 202 H HA -0.086 4.470 4.556 -0.000 0.000 0.286 202 H C 1.734 177.016 175.328 -0.076 0.000 1.037 202 H CA 0.473 56.476 56.048 -0.076 0.000 1.250 202 H CB 0.269 29.993 29.762 -0.063 0.000 1.373 202 H HN 0.471 nan 8.280 nan 0.000 0.580 203 E N 0.426 120.651 120.200 0.042 0.000 2.110 203 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 203 E C 2.251 178.828 176.600 -0.039 0.000 0.988 203 E CA 1.441 57.847 56.400 0.011 0.000 0.804 203 E CB 0.120 29.845 29.700 0.042 0.000 0.745 203 E HN 0.551 nan 8.360 nan 0.000 0.458 204 S N -1.256 114.361 115.700 -0.138 0.000 2.545 204 S HA 0.385 4.855 4.470 -0.000 0.000 0.232 204 S C 1.093 175.620 174.600 -0.122 0.000 1.070 204 S CA 0.351 58.439 58.200 -0.187 0.000 0.923 204 S CB 1.019 63.913 63.200 -0.510 0.000 0.806 204 S HN 0.371 nan 8.310 nan 0.000 0.506 205 G N 0.939 109.665 108.800 -0.124 0.000 2.655 205 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.680 205 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.680 205 G C -0.556 174.361 174.900 0.028 0.000 1.302 205 G CA -0.518 44.571 45.100 -0.018 0.000 0.872 205 G HN 0.603 nan 8.290 nan 0.000 0.540 206 S N -0.122 115.647 115.700 0.113 0.000 2.592 206 S HA 0.405 4.875 4.470 -0.000 0.000 0.271 206 S C 0.893 175.649 174.600 0.261 0.000 1.326 206 S CA -0.066 58.277 58.200 0.239 0.000 1.024 206 S CB 1.104 64.399 63.200 0.159 0.000 0.921 206 S HN 0.813 nan 8.310 nan 0.000 0.527 207 N N 0.912 119.859 118.700 0.412 0.000 2.434 207 N HA 0.248 4.988 4.740 -0.000 0.000 0.266 207 N C -0.566 174.946 175.510 0.003 0.000 1.223 207 N CA -0.482 52.703 53.050 0.226 0.000 0.972 207 N CB 0.507 39.093 38.487 0.164 0.000 1.207 207 N HN 0.796 nan 8.380 nan 0.000 0.525 208 N N -0.881 117.731 118.700 -0.147 0.000 2.571 208 N HA 0.432 5.172 4.740 -0.000 0.000 0.273 208 N C -2.468 172.810 175.510 -0.387 0.000 1.340 208 N CA -1.297 51.437 53.050 -0.526 0.000 0.789 208 N CB 1.844 40.105 38.487 -0.377 0.000 1.514 208 N HN 0.208 nan 8.380 nan 0.000 0.499 209 P HA -0.107 nan 4.420 nan 0.000 0.221 209 P C 0.681 177.984 177.300 0.004 0.000 1.145 209 P CA 1.132 64.085 63.100 -0.245 0.000 0.795 209 P CB 0.254 31.837 31.700 -0.197 0.000 0.775 210 L N -1.944 119.252 121.223 -0.047 0.000 2.567 210 L HA 0.256 4.596 4.340 -0.000 0.000 0.225 210 L C 1.642 178.527 176.870 0.025 0.000 1.119 210 L CA 0.617 55.447 54.840 -0.016 0.000 0.871 210 L CB -0.993 41.130 42.059 0.106 0.000 1.036 210 L HN 0.066 nan 8.230 nan 0.000 0.459 211 G N 2.035 110.841 108.800 0.010 0.000 2.187 211 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.261 211 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.261 211 G C 0.319 175.230 174.900 0.018 0.000 1.000 211 G CA 0.896 45.999 45.100 0.006 0.000 0.718 211 G HN 0.524 nan 8.290 nan 0.000 0.519 212 I N -2.943 117.648 120.570 0.035 0.000 2.910 212 I HA 0.799 4.969 4.170 -0.000 0.000 0.310 212 I C 0.618 176.745 176.117 0.017 0.000 1.043 212 I CA -0.995 60.328 61.300 0.038 0.000 1.053 212 I CB 1.871 39.912 38.000 0.069 0.000 1.242 212 I HN 0.041 nan 8.210 nan 0.000 0.452 213 S N 1.754 117.464 115.700 0.018 0.000 2.575 213 S HA 0.029 4.499 4.470 -0.000 0.000 0.295 213 S C 0.991 175.594 174.600 0.005 0.000 1.267 213 S CA 0.132 58.341 58.200 0.015 0.000 1.074 213 S CB -0.008 63.202 63.200 0.017 0.000 0.829 213 S HN 0.791 nan 8.310 nan 0.000 0.497 214 S N 2.994 118.693 115.700 -0.002 0.000 2.582 214 S HA 0.174 4.644 4.470 -0.000 0.000 0.234 214 S C 0.574 175.168 174.600 -0.009 0.000 0.961 214 S CA -0.487 57.704 58.200 -0.016 0.000 0.953 214 S CB 0.169 63.344 63.200 -0.041 0.000 0.800 214 S HN 0.693 nan 8.310 nan 0.000 0.471 215 D N 2.922 123.322 120.400 0.001 0.000 2.263 215 D HA -0.075 4.565 4.640 -0.000 0.000 0.208 215 D C 1.982 178.281 176.300 -0.001 0.000 0.971 215 D CA 1.431 55.433 54.000 0.003 0.000 0.867 215 D CB -0.231 40.574 40.800 0.008 0.000 0.929 215 D HN 0.655 nan 8.370 nan 0.000 0.492 216 S N -0.843 114.855 115.700 -0.004 0.000 2.522 216 S HA -0.063 4.407 4.470 -0.000 0.000 0.227 216 S C 0.595 175.186 174.600 -0.015 0.000 0.986 216 S CA 0.194 58.390 58.200 -0.007 0.000 0.929 216 S CB 0.440 63.637 63.200 -0.005 0.000 0.769 216 S HN -0.018 nan 8.310 nan 0.000 0.529 217 D N 0.896 121.284 120.400 -0.020 0.000 2.586 217 D HA 0.340 4.980 4.640 -0.000 0.000 0.254 217 D C -1.156 175.121 176.300 -0.037 0.000 1.248 217 D CA -0.209 53.770 54.000 -0.034 0.000 0.843 217 D CB 0.439 41.213 40.800 -0.043 0.000 1.332 217 D HN 0.157 nan 8.370 nan 0.000 0.523 218 K N 1.486 121.872 120.400 -0.024 0.000 2.208 218 K HA 0.706 5.026 4.320 -0.000 0.000 0.247 218 K C 0.064 176.659 176.600 -0.009 0.000 0.953 218 K CA -0.991 55.292 56.287 -0.007 0.000 0.837 218 K CB 2.341 34.849 32.500 0.013 0.000 1.131 218 K HN 0.366 nan 8.250 nan 0.000 0.431 219 I N -1.392 119.188 120.570 0.017 0.000 2.828 219 I HA 0.543 4.713 4.170 -0.000 0.000 0.302 219 I C -2.677 173.533 176.117 0.154 0.000 1.101 219 I CA -2.982 58.328 61.300 0.017 0.000 1.031 219 I CB 2.208 40.073 38.000 -0.225 0.000 1.231 219 I HN 0.358 nan 8.210 nan 0.000 0.427 220 P HA 0.027 nan 4.420 nan 0.000 0.271 220 P C 0.388 177.889 177.300 0.335 0.000 1.216 220 P CA -0.024 63.222 63.100 0.243 0.000 0.776 220 P CB 0.932 32.744 31.700 0.187 0.000 0.881 221 F N 2.853 122.957 119.950 0.256 0.000 2.091 221 F HA -0.199 4.328 4.527 -0.000 0.000 0.299 221 F C 1.242 177.226 175.800 0.306 0.000 1.103 221 F CA 1.667 59.878 58.000 0.351 0.000 1.228 221 F CB -0.561 38.587 39.000 0.247 0.000 0.984 221 F HN 0.422 nan 8.300 nan 0.000 0.477 222 H N 1.301 120.514 119.070 0.237 0.000 2.458 222 H HA 0.287 4.843 4.556 -0.000 0.000 0.330 222 H C -1.883 173.403 175.328 -0.070 0.000 1.111 222 H CA -2.553 53.540 56.048 0.076 0.000 1.245 222 H CB 1.442 31.322 29.762 0.197 0.000 1.456 222 H HN -0.102 nan 8.280 nan 0.000 0.488 223 P HA -0.049 nan 4.420 nan 0.000 0.251 223 P C 0.588 177.553 177.300 -0.558 0.000 1.223 223 P CA 0.550 63.103 63.100 -0.910 0.000 0.796 223 P CB 0.271 31.274 31.700 -1.162 0.000 1.068 224 Y N -0.079 119.957 120.300 -0.440 0.000 2.053 224 Y HA -0.231 4.319 4.550 -0.000 0.000 0.277 224 Y C 2.358 177.860 175.900 -0.663 0.000 1.159 224 Y CA 1.736 59.483 58.100 -0.587 0.000 1.125 224 Y CB -1.327 36.679 38.460 -0.756 0.000 0.969 224 Y HN -0.071 nan 8.280 nan 0.000 0.492 225 Y N -0.961 119.182 120.300 -0.262 0.000 2.490 225 Y HA -0.099 4.451 4.550 -0.000 0.000 0.285 225 Y C 2.582 178.136 175.900 -0.577 0.000 1.117 225 Y CA 0.355 58.160 58.100 -0.491 0.000 1.262 225 Y CB -0.130 37.894 38.460 -0.728 0.000 1.043 225 Y HN 0.123 nan 8.280 nan 0.000 0.553 226 S N -0.302 115.143 115.700 -0.425 0.000 2.383 226 S HA -0.185 4.285 4.470 -0.000 0.000 0.227 226 S C 1.712 176.332 174.600 0.033 0.000 1.026 226 S CA 1.010 59.190 58.200 -0.033 0.000 0.981 226 S CB -1.003 62.376 63.200 0.298 0.000 0.818 226 S HN 0.384 nan 8.310 nan 0.000 0.472 227 F N 2.027 121.907 119.950 -0.116 0.000 2.128 227 F HA 0.157 4.684 4.527 0.000 0.000 0.295 227 F C 2.709 178.473 175.800 -0.060 0.000 1.100 227 F CA 1.166 59.116 58.000 -0.083 0.000 1.260 227 F CB -0.176 38.745 39.000 -0.131 0.000 1.009 227 F HN 0.125 nan 8.300 nan 0.000 0.476 228 K N 0.449 120.918 120.400 0.116 0.000 2.063 228 K HA -0.214 4.106 4.320 -0.000 0.000 0.208 228 K C 1.471 178.114 176.600 0.070 0.000 1.048 228 K CA 2.084 58.422 56.287 0.084 0.000 0.928 228 K CB -0.173 32.394 32.500 0.111 0.000 0.713 228 K HN 0.115 nan 8.250 nan 0.000 0.442 229 D N 0.534 120.983 120.400 0.081 0.000 2.144 229 D HA -0.106 4.534 4.640 -0.000 0.000 0.200 229 D C 1.865 178.187 176.300 0.035 0.000 0.978 229 D CA 0.898 54.942 54.000 0.074 0.000 0.833 229 D CB -0.052 40.836 40.800 0.147 0.000 0.961 229 D HN 0.262 nan 8.370 nan 0.000 0.470 230 I N 0.340 120.911 120.570 0.002 0.000 2.286 230 I HA -0.221 3.949 4.170 -0.000 0.000 0.248 230 I C 2.197 178.300 176.117 -0.023 0.000 1.115 230 I CA 0.454 61.731 61.300 -0.039 0.000 1.392 230 I CB 0.006 37.923 38.000 -0.139 0.000 1.065 230 I HN 0.021 nan 8.210 nan 0.000 0.418 231 L N 0.947 122.165 121.223 -0.008 0.000 2.017 231 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 231 L C 2.314 179.190 176.870 0.010 0.000 1.073 231 L CA 2.259 57.103 54.840 0.007 0.000 0.745 231 L CB -1.344 40.730 42.059 0.026 0.000 0.894 231 L HN 0.171 nan 8.230 nan 0.000 0.432 232 G N -0.401 108.400 108.800 0.002 0.000 2.432 232 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.219 232 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.219 232 G C 1.571 176.488 174.900 0.028 0.000 1.135 232 G CA 0.981 46.069 45.100 -0.019 0.000 0.767 232 G HN 0.438 nan 8.290 nan 0.000 0.550 233 L N 1.543 122.790 121.223 0.041 0.000 2.005 233 L HA -0.023 4.317 4.340 -0.000 0.000 0.207 233 L C 3.161 180.077 176.870 0.077 0.000 1.072 233 L CA 2.858 57.743 54.840 0.076 0.000 0.744 233 L CB -1.031 41.053 42.059 0.040 0.000 0.895 233 L HN 0.320 nan 8.230 nan 0.000 0.433 234 T N -2.850 111.726 114.554 0.038 0.000 2.867 234 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 234 T C 2.046 176.782 174.700 0.059 0.000 1.057 234 T CA 1.398 63.516 62.100 0.031 0.000 1.136 234 T CB -0.721 68.152 68.868 0.009 0.000 0.874 234 T HN 0.366 nan 8.240 nan 0.000 0.466 235 L N -0.456 120.806 121.223 0.066 0.000 2.046 235 L HA -0.020 4.320 4.340 -0.000 0.000 0.208 235 L C 3.053 180.006 176.870 0.138 0.000 1.077 235 L CA 1.194 56.081 54.840 0.079 0.000 0.747 235 L CB -0.512 41.578 42.059 0.053 0.000 0.896 235 L HN 0.266 nan 8.230 nan 0.000 0.432 236 M N -1.020 118.701 119.600 0.202 0.000 2.160 236 M HA -0.140 4.340 4.480 -0.000 0.000 0.264 236 M C 2.313 178.826 176.300 0.355 0.000 1.073 236 M CA 1.352 56.873 55.300 0.368 0.000 1.142 236 M CB -1.035 31.908 32.600 0.573 0.000 1.358 236 M HN 0.165 nan 8.290 nan 0.000 0.422 237 L N 0.620 121.960 121.223 0.196 0.000 2.270 237 L HA -0.206 4.134 4.340 -0.000 0.000 0.217 237 L C 2.182 179.088 176.870 0.060 0.000 1.107 237 L CA 1.693 56.562 54.840 0.048 0.000 0.772 237 L CB -0.920 41.124 42.059 -0.024 0.000 0.902 237 L HN 0.334 nan 8.230 nan 0.000 0.439 238 T N -0.406 114.207 114.554 0.097 0.000 2.668 238 T HA -0.068 4.282 4.350 -0.000 0.000 0.262 238 T C -0.300 174.482 174.700 0.135 0.000 1.045 238 T CA 1.575 63.726 62.100 0.085 0.000 1.152 238 T CB -1.002 67.917 68.868 0.085 0.000 0.864 238 T HN 0.232 nan 8.240 nan 0.000 0.419 239 P HA -0.053 nan 4.420 nan 0.000 0.216 239 P C 1.304 178.776 177.300 0.285 0.000 1.150 239 P CA 0.863 64.093 63.100 0.217 0.000 0.837 239 P CB -0.176 31.657 31.700 0.222 0.000 0.786 240 F N 0.317 120.332 119.950 0.108 0.000 2.011 240 F HA -0.258 4.269 4.527 -0.000 0.000 0.296 240 F C 1.897 177.704 175.800 0.012 0.000 1.144 240 F CA 1.317 59.344 58.000 0.045 0.000 1.185 240 F CB -0.595 38.261 39.000 -0.239 0.000 0.961 240 F HN -0.249 nan 8.300 nan 0.000 0.485 241 L N 0.067 121.204 121.223 -0.143 0.000 2.083 241 L HA -0.235 4.105 4.340 -0.000 0.000 0.209 241 L C 2.349 179.160 176.870 -0.099 0.000 1.083 241 L CA 1.677 56.338 54.840 -0.298 0.000 0.752 241 L CB -1.160 40.709 42.059 -0.316 0.000 0.899 241 L HN 0.269 nan 8.230 nan 0.000 0.433 242 T N 0.353 114.940 114.554 0.055 0.000 2.759 242 T HA -0.196 4.154 4.350 -0.000 0.000 0.269 242 T C 1.788 176.626 174.700 0.231 0.000 1.042 242 T CA 1.501 63.723 62.100 0.204 0.000 1.140 242 T CB -0.168 68.867 68.868 0.278 0.000 0.864 242 T HN 0.182 nan 8.240 nan 0.000 0.455 243 L N 1.249 122.595 121.223 0.206 0.000 2.049 243 L HA 0.266 4.606 4.340 -0.000 0.000 0.203 243 L C 2.555 179.538 176.870 0.188 0.000 1.074 243 L CA 1.826 56.799 54.840 0.222 0.000 0.749 243 L CB -0.916 41.299 42.059 0.260 0.000 0.907 243 L HN 0.163 nan 8.230 nan 0.000 0.439 244 A N -0.945 121.973 122.820 0.163 0.000 2.125 244 A HA -0.055 4.265 4.320 -0.000 0.000 0.219 244 A C 2.109 179.728 177.584 0.058 0.000 1.156 244 A CA 1.857 53.969 52.037 0.125 0.000 0.671 244 A CB -0.624 18.403 19.000 0.046 0.000 0.794 244 A HN 0.551 nan 8.150 nan 0.000 0.459 245 L N -3.602 117.585 121.223 -0.059 0.000 2.500 245 L HA 0.252 4.592 4.340 -0.000 0.000 0.219 245 L C 1.716 178.456 176.870 -0.216 0.000 1.057 245 L CA 0.321 55.047 54.840 -0.191 0.000 0.854 245 L CB 0.067 41.849 42.059 -0.461 0.000 1.078 245 L HN 0.395 nan 8.230 nan 0.000 0.480 246 F N -1.679 118.320 119.950 0.083 0.000 2.717 246 F HA 0.167 4.694 4.527 -0.000 0.000 0.295 246 F C 1.226 177.066 175.800 0.066 0.000 1.117 246 F CA -0.015 58.023 58.000 0.064 0.000 1.361 246 F CB 0.866 39.898 39.000 0.052 0.000 1.112 246 F HN -0.123 nan 8.300 nan 0.000 0.594 247 S N -0.097 115.749 115.700 0.244 0.000 2.605 247 S HA 0.260 4.730 4.470 -0.000 0.000 0.142 247 S C -2.161 172.545 174.600 0.177 0.000 1.452 247 S CA -1.010 57.301 58.200 0.184 0.000 1.240 247 S CB 0.011 63.313 63.200 0.170 0.000 1.538 247 S HN -0.178 nan 8.310 nan 0.000 0.394 248 P HA -0.060 nan 4.420 nan 0.000 0.216 248 P C 0.623 178.052 177.300 0.216 0.000 1.150 248 P CA 1.261 64.479 63.100 0.196 0.000 0.843 248 P CB 0.079 31.894 31.700 0.191 0.000 0.787 249 N N -1.579 117.240 118.700 0.198 0.000 2.214 249 N HA 0.068 4.808 4.740 -0.000 0.000 0.214 249 N C 1.303 176.926 175.510 0.187 0.000 1.132 249 N CA -0.209 52.975 53.050 0.223 0.000 0.856 249 N CB -0.175 38.445 38.487 0.221 0.000 1.020 249 N HN 0.063 nan 8.380 nan 0.000 0.509 250 L N 0.875 122.197 121.223 0.165 0.000 2.043 250 L HA -0.084 4.256 4.340 -0.000 0.000 0.212 250 L C 1.561 178.519 176.870 0.147 0.000 1.075 250 L CA 1.778 56.701 54.840 0.138 0.000 0.752 250 L CB -0.261 41.874 42.059 0.127 0.000 0.891 250 L HN 0.123 nan 8.230 nan 0.000 0.432 251 L N -1.139 120.194 121.223 0.184 0.000 2.567 251 L HA 0.267 4.607 4.340 -0.000 0.000 0.225 251 L C 1.223 178.225 176.870 0.220 0.000 1.119 251 L CA 0.040 55.006 54.840 0.209 0.000 0.871 251 L CB -0.619 41.608 42.059 0.279 0.000 1.036 251 L HN 0.306 nan 8.230 nan 0.000 0.459 252 G N -0.943 107.994 108.800 0.228 0.000 2.451 252 G HA2 0.162 4.122 3.960 -0.000 0.000 0.303 252 G HA3 0.162 4.122 3.960 -0.000 0.000 0.303 252 G C -1.162 173.882 174.900 0.241 0.000 1.166 252 G CA -0.350 44.897 45.100 0.246 0.000 0.884 252 G HN -0.122 nan 8.290 nan 0.000 0.514 253 D N 1.318 121.864 120.400 0.245 0.000 2.317 253 D HA 0.191 4.831 4.640 -0.000 0.000 0.252 253 D C -0.967 175.512 176.300 0.299 0.000 1.174 253 D CA -1.815 52.323 54.000 0.230 0.000 0.866 253 D CB 2.100 43.027 40.800 0.212 0.000 1.127 253 D HN 0.036 nan 8.370 nan 0.000 0.467 254 P HA -0.159 nan 4.420 nan 0.000 0.219 254 P C 0.992 178.498 177.300 0.344 0.000 1.146 254 P CA 0.712 64.003 63.100 0.319 0.000 0.808 254 P CB 0.543 32.332 31.700 0.149 0.000 0.779 255 E N 0.320 120.663 120.200 0.239 0.000 2.267 255 E HA -0.167 4.183 4.350 -0.000 0.000 0.197 255 E C 1.630 178.352 176.600 0.204 0.000 0.998 255 E CA 0.886 57.400 56.400 0.189 0.000 0.830 255 E CB -0.877 28.912 29.700 0.148 0.000 0.751 255 E HN 0.038 nan 8.360 nan 0.000 0.491 256 N N -0.956 117.874 118.700 0.217 0.000 2.461 256 N HA -0.002 4.738 4.740 -0.000 0.000 0.188 256 N C -0.303 175.253 175.510 0.077 0.000 1.134 256 N CA 0.201 53.310 53.050 0.097 0.000 0.878 256 N CB -0.001 38.469 38.487 -0.028 0.000 0.972 256 N HN 0.134 nan 8.380 nan 0.000 0.456 257 F N -0.354 119.719 119.950 0.204 0.000 2.663 257 F HA 0.259 4.786 4.527 -0.000 0.000 0.299 257 F C 0.280 176.246 175.800 0.277 0.000 1.143 257 F CA 0.159 58.328 58.000 0.282 0.000 1.387 257 F CB 0.303 39.412 39.000 0.182 0.000 1.019 257 F HN -0.294 nan 8.300 nan 0.000 0.523 258 T N 0.810 115.527 114.554 0.272 0.000 2.841 258 T HA 0.307 4.657 4.350 -0.000 0.000 0.285 258 T C -2.634 171.941 174.700 -0.207 0.000 0.991 258 T CA -1.752 60.353 62.100 0.008 0.000 0.966 258 T CB 2.046 70.934 68.868 0.034 0.000 0.962 258 T HN -0.313 nan 8.240 nan 0.000 0.438 259 P HA 0.201 nan 4.420 nan 0.000 0.265 259 P C -0.443 176.683 177.300 -0.290 0.000 1.193 259 P CA -0.218 62.507 63.100 -0.625 0.000 0.765 259 P CB 0.308 31.581 31.700 -0.712 0.000 0.823 260 A N 3.310 125.942 122.820 -0.313 0.000 2.587 260 A HA 0.054 4.374 4.320 -0.000 0.000 0.235 260 A C 0.541 177.889 177.584 -0.393 0.000 1.044 260 A CA 0.717 52.480 52.037 -0.458 0.000 0.754 260 A CB -0.648 17.695 19.000 -1.095 0.000 0.968 260 A HN 0.590 nan 8.150 nan 0.000 0.509 261 N N 2.843 121.376 118.700 -0.278 0.000 2.549 261 N HA 0.370 5.110 4.740 -0.000 0.000 0.281 261 N C -2.601 172.847 175.510 -0.102 0.000 1.084 261 N CA -2.006 50.934 53.050 -0.184 0.000 0.862 261 N CB 1.851 40.315 38.487 -0.039 0.000 1.333 261 N HN 0.087 nan 8.380 nan 0.000 0.523 262 P HA 0.016 nan 4.420 nan 0.000 0.223 262 P C 0.333 177.768 177.300 0.225 0.000 1.144 262 P CA 1.061 64.039 63.100 -0.203 0.000 0.783 262 P CB 0.297 31.809 31.700 -0.313 0.000 0.771 263 L N -1.419 119.893 121.223 0.147 0.000 3.094 263 L HA 0.255 4.595 4.340 -0.000 0.000 0.254 263 L C -0.337 176.600 176.870 0.112 0.000 1.298 263 L CA -0.245 54.677 54.840 0.137 0.000 1.050 263 L CB 0.538 42.628 42.059 0.051 0.000 1.420 263 L HN -0.312 nan 8.230 nan 0.000 0.548 264 V N -1.045 118.972 119.914 0.172 0.000 2.777 264 V HA 0.080 4.200 4.120 -0.000 0.000 0.267 264 V C -0.053 175.892 176.094 -0.249 0.000 1.031 264 V CA -0.438 61.854 62.300 -0.014 0.000 0.921 264 V CB 1.757 33.574 31.823 -0.011 0.000 1.055 264 V HN 0.199 nan 8.190 nan 0.000 0.485 265 T N 6.507 120.737 114.554 -0.540 0.000 2.851 265 T HA 0.354 4.704 4.350 -0.000 0.000 0.298 265 T C -2.207 172.063 174.700 -0.717 0.000 0.977 265 T CA -0.645 60.764 62.100 -1.152 0.000 1.126 265 T CB 1.227 69.581 68.868 -0.855 0.000 0.916 265 T HN 0.347 nan 8.240 nan 0.000 0.529 266 P HA 0.196 nan 4.420 nan 0.000 0.272 266 P C -1.754 175.346 177.300 -0.333 0.000 1.223 266 P CA -1.372 61.505 63.100 -0.372 0.000 0.784 266 P CB 0.197 31.758 31.700 -0.232 0.000 0.923 267 P HA -0.087 nan 4.420 nan 0.000 0.217 267 P C -0.420 176.554 177.300 -0.543 0.000 1.151 267 P CA 1.394 64.204 63.100 -0.484 0.000 0.828 267 P CB 0.051 31.371 31.700 -0.632 0.000 0.788 268 H N -1.099 117.952 119.070 -0.030 0.000 2.675 268 H HA 0.348 4.904 4.556 -0.000 0.000 0.258 268 H C -0.325 175.020 175.328 0.029 0.000 1.271 268 H CA -0.623 55.429 56.048 0.007 0.000 1.462 268 H CB 0.144 29.916 29.762 0.017 0.000 1.467 268 H HN -0.044 nan 8.280 nan 0.000 0.501 269 I N 4.887 125.541 120.570 0.140 0.000 2.372 269 I HA 0.046 4.216 4.170 -0.000 0.000 0.298 269 I C -0.036 176.166 176.117 0.141 0.000 1.137 269 I CA 0.252 61.636 61.300 0.139 0.000 1.314 269 I CB -0.316 37.784 38.000 0.167 0.000 1.444 269 I HN 0.517 nan 8.210 nan 0.000 0.541 270 K N 7.822 128.235 120.400 0.022 0.000 2.477 270 K HA 0.719 5.039 4.320 -0.000 0.000 0.255 270 K C -2.968 173.463 176.600 -0.283 0.000 0.952 270 K CA -1.682 54.505 56.287 -0.167 0.000 0.826 270 K CB 2.169 34.673 32.500 0.007 0.000 1.331 270 K HN 0.035 nan 8.250 nan 0.000 0.437 271 P HA 0.106 nan 4.420 nan 0.000 0.297 271 P C -0.743 176.314 177.300 -0.406 0.000 1.303 271 P CA -0.331 62.521 63.100 -0.414 0.000 0.753 271 P CB 0.418 31.896 31.700 -0.370 0.000 1.281 272 E N -0.166 119.627 120.200 -0.678 0.000 2.373 272 E HA -0.004 4.346 4.350 -0.000 0.000 0.263 272 E C 1.614 177.770 176.600 -0.739 0.000 1.073 272 E CA -0.239 55.666 56.400 -0.825 0.000 0.894 272 E CB 0.177 28.968 29.700 -1.514 0.000 1.008 272 E HN 0.632 nan 8.360 nan 0.000 0.420 273 W N 3.674 124.718 121.300 -0.426 0.000 2.290 273 W HA -0.320 4.340 4.660 -0.000 0.000 0.311 273 W C 1.312 177.756 176.519 -0.125 0.000 1.238 273 W CA 1.537 58.770 57.345 -0.187 0.000 1.255 273 W CB -1.163 28.277 29.460 -0.032 0.000 1.145 273 W HN 0.629 nan 8.180 nan 0.000 0.506 274 Y N -2.603 116.981 120.300 -1.193 0.000 2.680 274 Y HA 0.175 4.725 4.550 -0.000 0.000 0.303 274 Y C 1.711 177.465 175.900 -0.244 0.000 1.166 274 Y CA 0.433 57.883 58.100 -1.084 0.000 1.344 274 Y CB -1.745 35.514 38.460 -2.002 0.000 1.002 274 Y HN -0.027 nan 8.280 nan 0.000 0.537 275 F N -1.027 118.697 119.950 -0.377 0.000 2.746 275 F HA 0.169 4.696 4.527 -0.000 0.000 0.313 275 F C 1.734 177.385 175.800 -0.249 0.000 1.095 275 F CA -0.303 57.540 58.000 -0.261 0.000 1.224 275 F CB 0.374 39.131 39.000 -0.406 0.000 1.060 275 F HN 0.030 nan 8.300 nan 0.000 0.584 276 L N 0.518 121.776 121.223 0.057 0.000 1.997 276 L HA -0.311 4.029 4.340 -0.000 0.000 0.216 276 L C 2.590 179.481 176.870 0.035 0.000 1.074 276 L CA 2.143 57.021 54.840 0.064 0.000 0.763 276 L CB -1.081 41.046 42.059 0.113 0.000 0.890 276 L HN 0.287 nan 8.230 nan 0.000 0.434 277 F N 0.416 120.360 119.950 -0.010 0.000 2.147 277 F HA -0.241 4.286 4.527 -0.000 0.000 0.301 277 F C 2.305 178.034 175.800 -0.118 0.000 1.084 277 F CA 1.192 59.136 58.000 -0.094 0.000 1.268 277 F CB -0.836 38.062 39.000 -0.171 0.000 1.009 277 F HN -0.035 nan 8.300 nan 0.000 0.486 278 A N -0.698 121.277 122.820 -1.408 0.000 1.970 278 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 278 A C 2.073 179.417 177.584 -0.400 0.000 1.170 278 A CA 0.935 52.334 52.037 -1.063 0.000 0.645 278 A CB -1.457 16.864 19.000 -1.133 0.000 0.816 278 A HN 0.574 nan 8.150 nan 0.000 0.447 279 Y N 0.854 120.904 120.300 -0.418 0.000 2.224 279 Y HA -0.083 4.467 4.550 -0.000 0.000 0.289 279 Y C 2.646 178.421 175.900 -0.209 0.000 1.146 279 Y CA 0.726 58.670 58.100 -0.260 0.000 1.182 279 Y CB -0.616 37.733 38.460 -0.185 0.000 0.983 279 Y HN 0.319 nan 8.280 nan 0.000 0.524 280 A N 0.307 123.047 122.820 -0.134 0.000 1.858 280 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 280 A C 2.348 179.827 177.584 -0.175 0.000 1.190 280 A CA 2.031 53.962 52.037 -0.177 0.000 0.617 280 A CB -1.156 17.771 19.000 -0.123 0.000 0.827 280 A HN 0.492 nan 8.150 nan 0.000 0.443 281 I N -0.611 119.859 120.570 -0.166 0.000 2.264 281 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 281 I C 2.453 178.512 176.117 -0.098 0.000 1.111 281 I CA 1.237 62.482 61.300 -0.093 0.000 1.382 281 I CB -0.349 37.606 38.000 -0.075 0.000 1.060 281 I HN 0.441 nan 8.210 nan 0.000 0.418 282 L N 1.382 122.506 121.223 -0.165 0.000 1.989 282 L HA -0.206 4.134 4.340 -0.000 0.000 0.211 282 L C 2.525 179.281 176.870 -0.191 0.000 1.071 282 L CA 1.923 56.658 54.840 -0.176 0.000 0.749 282 L CB -0.575 41.356 42.059 -0.213 0.000 0.890 282 L HN 0.101 nan 8.230 nan 0.000 0.431 283 R N -0.413 119.928 120.500 -0.265 0.000 2.316 283 R HA -0.014 4.326 4.340 -0.000 0.000 0.202 283 R C 2.282 178.494 176.300 -0.146 0.000 1.029 283 R CA 0.903 56.860 56.100 -0.238 0.000 1.018 283 R CB -0.518 29.579 30.300 -0.338 0.000 0.888 283 R HN 0.692 nan 8.270 nan 0.000 0.471 284 S N 0.612 116.246 115.700 -0.111 0.000 2.402 284 S HA -0.015 4.455 4.470 -0.000 0.000 0.229 284 S C 1.109 175.683 174.600 -0.043 0.000 1.021 284 S CA 0.472 58.638 58.200 -0.058 0.000 0.974 284 S CB 0.102 63.291 63.200 -0.018 0.000 0.800 284 S HN 0.043 nan 8.310 nan 0.000 0.484 285 I N 4.435 124.973 120.570 -0.052 0.000 2.287 285 I HA 0.351 4.521 4.170 -0.000 0.000 0.290 285 I C -2.520 173.563 176.117 -0.057 0.000 1.069 285 I CA -2.712 58.560 61.300 -0.047 0.000 1.237 285 I CB 0.480 38.450 38.000 -0.049 0.000 1.418 285 I HN 0.154 nan 8.210 nan 0.000 0.481 286 P HA 0.154 nan 4.420 nan 0.000 0.275 286 P C -0.273 177.003 177.300 -0.041 0.000 1.276 286 P CA 0.098 63.170 63.100 -0.045 0.000 0.782 286 P CB 0.774 32.455 31.700 -0.033 0.000 0.851 287 N N 3.516 122.188 118.700 -0.047 0.000 6.828 287 N HA -0.079 4.661 4.740 -0.000 0.000 0.115 287 N C 0.591 176.068 175.510 -0.056 0.000 1.006 287 N CA -0.231 52.793 53.050 -0.043 0.000 1.167 287 N CB 0.157 38.620 38.487 -0.040 0.000 1.401 287 N HN 0.219 nan 8.380 nan 0.000 1.253 288 K N 1.792 122.160 120.400 -0.054 0.000 2.097 288 K HA -0.213 4.107 4.320 -0.000 0.000 0.214 288 K C 1.763 178.311 176.600 -0.088 0.000 1.052 288 K CA 2.181 58.424 56.287 -0.073 0.000 0.932 288 K CB 0.023 32.486 32.500 -0.060 0.000 0.716 288 K HN 0.449 nan 8.250 nan 0.000 0.455 289 L N 0.147 121.328 121.223 -0.070 0.000 2.056 289 L HA -0.013 4.327 4.340 -0.000 0.000 0.207 289 L C 2.191 179.019 176.870 -0.070 0.000 1.078 289 L CA 2.269 57.066 54.840 -0.071 0.000 0.749 289 L CB -0.976 41.048 42.059 -0.060 0.000 0.901 289 L HN 0.322 nan 8.230 nan 0.000 0.433 290 G N -1.267 107.494 108.800 -0.066 0.000 2.422 290 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.218 290 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.218 290 G C 1.515 176.372 174.900 -0.073 0.000 1.146 290 G CA 0.561 45.621 45.100 -0.066 0.000 0.769 290 G HN 0.578 nan 8.290 nan 0.000 0.547 291 G N 0.514 109.265 108.800 -0.082 0.000 2.418 291 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.217 291 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.217 291 G C 1.783 176.621 174.900 -0.103 0.000 1.158 291 G CA 1.224 46.268 45.100 -0.093 0.000 0.771 291 G HN 0.309 nan 8.290 nan 0.000 0.545 292 V N 1.085 120.924 119.914 -0.124 0.000 2.295 292 V HA -0.153 3.967 4.120 -0.000 0.000 0.246 292 V C 2.933 178.993 176.094 -0.057 0.000 1.049 292 V CA 1.571 63.787 62.300 -0.141 0.000 1.024 292 V CB -0.494 31.218 31.823 -0.186 0.000 0.648 292 V HN 0.346 nan 8.190 nan 0.000 0.447 293 L N 0.181 121.377 121.223 -0.044 0.000 2.017 293 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 293 L C 2.787 179.645 176.870 -0.020 0.000 1.073 293 L CA 1.625 56.452 54.840 -0.021 0.000 0.745 293 L CB -0.947 41.087 42.059 -0.041 0.000 0.894 293 L HN 0.352 nan 8.230 nan 0.000 0.432 294 A N 0.045 122.839 122.820 -0.044 0.000 1.940 294 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 294 A C 2.214 179.844 177.584 0.076 0.000 1.176 294 A CA 1.838 53.864 52.037 -0.017 0.000 0.631 294 A CB -0.658 18.329 19.000 -0.020 0.000 0.814 294 A HN 0.331 nan 8.150 nan 0.000 0.446 295 L N -0.261 120.965 121.223 0.004 0.000 1.988 295 L HA -0.021 4.319 4.340 -0.000 0.000 0.207 295 L C 2.724 179.609 176.870 0.025 0.000 1.071 295 L CA 2.310 57.133 54.840 -0.029 0.000 0.744 295 L CB -1.229 40.770 42.059 -0.101 0.000 0.893 295 L HN 0.349 nan 8.230 nan 0.000 0.433 296 A N -0.158 122.688 122.820 0.044 0.000 1.884 296 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 296 A C 2.455 180.122 177.584 0.139 0.000 1.197 296 A CA 2.644 54.731 52.037 0.083 0.000 0.637 296 A CB -1.487 17.568 19.000 0.091 0.000 0.827 296 A HN 0.647 nan 8.150 nan 0.000 0.450 297 A N 0.169 123.084 122.820 0.159 0.000 2.024 297 A HA -0.109 4.211 4.320 -0.000 0.000 0.220 297 A C 2.433 180.291 177.584 0.457 0.000 1.164 297 A CA 2.381 54.569 52.037 0.253 0.000 0.643 297 A CB -1.078 18.000 19.000 0.129 0.000 0.806 297 A HN 1.216 nan 8.150 nan 0.000 0.451 298 S N -0.904 115.064 115.700 0.448 0.000 2.419 298 S HA -0.102 4.368 4.470 -0.000 0.000 0.235 298 S C 1.507 176.339 174.600 0.386 0.000 1.019 298 S CA 1.691 60.157 58.200 0.442 0.000 0.982 298 S CB -0.418 62.875 63.200 0.155 0.000 0.789 298 S HN 0.300 nan 8.310 nan 0.000 0.490 299 V N 0.711 120.792 119.914 0.279 0.000 3.013 299 V HA 0.271 4.391 4.120 -0.000 0.000 0.238 299 V C 2.205 178.390 176.094 0.152 0.000 1.161 299 V CA 0.393 62.827 62.300 0.224 0.000 1.170 299 V CB -0.417 31.510 31.823 0.173 0.000 0.917 299 V HN 0.389 nan 8.190 nan 0.000 0.478 300 L N 0.077 121.414 121.223 0.191 0.000 2.353 300 L HA -0.162 4.178 4.340 -0.000 0.000 0.220 300 L C 2.405 179.434 176.870 0.265 0.000 1.133 300 L CA 1.149 56.135 54.840 0.243 0.000 0.798 300 L CB -0.549 41.686 42.059 0.294 0.000 0.922 300 L HN 0.355 nan 8.230 nan 0.000 0.445 301 I N 0.358 121.090 120.570 0.269 0.000 2.315 301 I HA -0.305 3.865 4.170 -0.000 0.000 0.251 301 I C 2.213 178.450 176.117 0.199 0.000 1.125 301 I CA 1.552 63.011 61.300 0.265 0.000 1.392 301 I CB -0.159 38.024 38.000 0.305 0.000 1.065 301 I HN 0.148 nan 8.210 nan 0.000 0.424 302 L N -0.935 120.369 121.223 0.136 0.000 2.187 302 L HA -0.239 4.101 4.340 -0.000 0.000 0.213 302 L C 2.212 179.230 176.870 0.246 0.000 1.100 302 L CA 1.304 56.230 54.840 0.143 0.000 0.765 302 L CB -0.712 41.321 42.059 -0.042 0.000 0.904 302 L HN 0.224 nan 8.230 nan 0.000 0.437 303 F N -0.640 119.460 119.950 0.249 0.000 2.502 303 F HA -0.113 4.414 4.527 -0.000 0.000 0.298 303 F C 2.015 177.923 175.800 0.180 0.000 1.111 303 F CA 0.394 58.536 58.000 0.236 0.000 1.445 303 F CB 0.070 39.182 39.000 0.188 0.000 1.081 303 F HN 0.026 nan 8.300 nan 0.000 0.558 304 L N -0.835 120.583 121.223 0.324 0.000 2.416 304 L HA -0.070 4.270 4.340 -0.000 0.000 0.216 304 L C 2.195 179.067 176.870 0.002 0.000 1.098 304 L CA -0.062 54.934 54.840 0.260 0.000 0.840 304 L CB -0.355 41.851 42.059 0.246 0.000 0.981 304 L HN 0.082 nan 8.230 nan 0.000 0.462 305 I N 1.153 121.639 120.570 -0.139 0.000 2.145 305 I HA -0.222 3.948 4.170 -0.000 0.000 0.244 305 I C -0.036 175.665 176.117 -0.693 0.000 1.075 305 I CA 2.031 63.038 61.300 -0.489 0.000 1.332 305 I CB -2.432 35.127 38.000 -0.736 0.000 1.033 305 I HN 0.177 nan 8.210 nan 0.000 0.410 306 P HA -0.152 nan 4.420 nan 0.000 0.219 306 P C 1.560 178.605 177.300 -0.426 0.000 1.146 306 P CA 1.403 64.142 63.100 -0.601 0.000 0.808 306 P CB -0.136 31.136 31.700 -0.713 0.000 0.779 307 F N -2.065 117.848 119.950 -0.063 0.000 2.776 307 F HA 0.159 4.686 4.527 -0.000 0.000 0.300 307 F C 1.587 177.374 175.800 -0.022 0.000 1.116 307 F CA 0.459 58.449 58.000 -0.017 0.000 1.375 307 F CB -0.819 38.183 39.000 0.004 0.000 1.109 307 F HN -0.171 nan 8.300 nan 0.000 0.585 308 L N -0.781 120.474 121.223 0.053 0.000 2.791 308 L HA 0.176 4.516 4.340 -0.000 0.000 0.239 308 L C -0.188 176.674 176.870 -0.014 0.000 1.203 308 L CA -0.171 54.681 54.840 0.020 0.000 1.002 308 L CB -0.634 41.415 42.059 -0.016 0.000 1.295 308 L HN 0.015 nan 8.230 nan 0.000 0.504 309 H N 0.997 120.026 119.070 -0.069 0.000 2.723 309 H HA 0.197 4.753 4.556 -0.000 0.000 0.294 309 H C 0.715 176.037 175.328 -0.011 0.000 1.079 309 H CA 0.013 56.037 56.048 -0.041 0.000 1.411 309 H CB 0.775 30.556 29.762 0.032 0.000 1.439 309 H HN -0.106 nan 8.280 nan 0.000 0.474 310 K N 2.719 122.922 120.400 -0.327 0.000 2.399 310 K HA 0.068 4.388 4.320 -0.000 0.000 0.196 310 K C 0.676 177.139 176.600 -0.229 0.000 1.103 310 K CA -0.037 56.147 56.287 -0.172 0.000 0.986 310 K CB 0.476 32.919 32.500 -0.095 0.000 0.952 310 K HN 0.472 nan 8.250 nan 0.000 0.541 311 S N 1.468 116.881 115.700 -0.479 0.000 2.566 311 S HA 0.026 4.496 4.470 -0.000 0.000 0.280 311 S C 1.056 175.606 174.600 -0.082 0.000 1.343 311 S CA 0.103 58.140 58.200 -0.271 0.000 1.036 311 S CB 0.627 63.648 63.200 -0.297 0.000 0.866 311 S HN 0.063 nan 8.310 nan 0.000 0.526 312 K N 1.766 122.146 120.400 -0.032 0.000 2.426 312 K HA 0.117 4.437 4.320 -0.000 0.000 0.193 312 K C 0.271 176.873 176.600 0.003 0.000 1.028 312 K CA 0.450 56.708 56.287 -0.050 0.000 1.047 312 K CB 0.170 32.557 32.500 -0.189 0.000 0.821 312 K HN 0.646 nan 8.250 nan 0.000 0.513 313 Q N -0.103 119.732 119.800 0.059 0.000 2.301 313 Q HA 0.273 4.613 4.340 -0.000 0.000 0.267 313 Q C 0.661 176.723 176.000 0.104 0.000 1.035 313 Q CA -0.402 55.448 55.803 0.079 0.000 0.856 313 Q CB 2.329 31.134 28.738 0.110 0.000 1.337 313 Q HN -0.033 nan 8.270 nan 0.000 0.450 314 R N 0.404 120.918 120.500 0.024 0.000 2.055 314 R HA -0.039 4.301 4.340 -0.000 0.000 0.226 314 R C 0.890 177.130 176.300 -0.099 0.000 1.135 314 R CA 1.691 57.742 56.100 -0.082 0.000 0.959 314 R CB 0.024 30.226 30.300 -0.164 0.000 0.854 314 R HN 0.798 nan 8.270 nan 0.000 0.431 315 T N -2.742 111.751 114.554 -0.102 0.000 2.852 315 T HA 0.270 4.620 4.350 -0.000 0.000 0.281 315 T C 0.893 175.392 174.700 -0.334 0.000 0.993 315 T CA -0.706 61.273 62.100 -0.202 0.000 0.933 315 T CB 1.112 69.935 68.868 -0.074 0.000 1.187 315 T HN 0.125 nan 8.240 nan 0.000 0.559 316 M N 0.173 119.374 119.600 -0.664 0.000 2.404 316 M HA 0.137 4.617 4.480 -0.000 0.000 0.271 316 M C 1.704 177.650 176.300 -0.591 0.000 1.128 316 M CA -0.211 54.663 55.300 -0.710 0.000 0.982 316 M CB 0.004 31.896 32.600 -1.179 0.000 1.445 316 M HN 0.751 nan 8.290 nan 0.000 0.495 317 T N 0.629 114.876 114.554 -0.511 0.000 2.720 317 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 317 T C 0.830 175.320 174.700 -0.349 0.000 1.037 317 T CA 1.557 63.392 62.100 -0.442 0.000 1.144 317 T CB -0.239 68.177 68.868 -0.754 0.000 0.864 317 T HN 0.405 nan 8.240 nan 0.000 0.444 318 F N 0.869 120.815 119.950 -0.006 0.000 2.837 318 F HA 0.389 4.916 4.527 0.000 0.000 0.298 318 F C 0.839 176.636 175.800 -0.005 0.000 1.161 318 F CA -0.666 57.343 58.000 0.014 0.000 1.353 318 F CB 0.287 39.303 39.000 0.027 0.000 0.951 318 F HN -0.299 nan 8.300 nan 0.000 0.508 319 R N 1.702 122.244 120.500 0.070 0.000 2.547 319 R HA 0.176 4.516 4.340 -0.000 0.000 0.280 319 R C -2.051 174.264 176.300 0.026 0.000 1.630 319 R CA -1.382 54.737 56.100 0.031 0.000 1.470 319 R CB 0.797 31.072 30.300 -0.042 0.000 1.178 319 R HN -0.028 nan 8.270 nan 0.000 0.591 320 P HA -0.210 nan 4.420 nan 0.000 0.216 320 P C 1.211 178.563 177.300 0.087 0.000 1.153 320 P CA 1.270 64.424 63.100 0.091 0.000 0.858 320 P CB 0.389 32.144 31.700 0.092 0.000 0.789 321 L N -0.402 120.860 121.223 0.065 0.000 2.017 321 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 321 L C 2.757 179.669 176.870 0.070 0.000 1.073 321 L CA 1.760 56.634 54.840 0.058 0.000 0.745 321 L CB -1.248 40.834 42.059 0.038 0.000 0.894 321 L HN 0.009 nan 8.230 nan 0.000 0.432 322 S N -0.643 115.101 115.700 0.074 0.000 2.399 322 S HA -0.212 4.258 4.470 -0.000 0.000 0.231 322 S C 1.919 176.617 174.600 0.164 0.000 1.022 322 S CA 1.136 59.425 58.200 0.148 0.000 0.983 322 S CB -0.172 63.074 63.200 0.078 0.000 0.803 322 S HN 0.437 nan 8.310 nan 0.000 0.480 323 Q N 0.387 120.239 119.800 0.088 0.000 2.084 323 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 323 Q C 2.611 178.816 176.000 0.341 0.000 0.978 323 Q CA 1.798 57.707 55.803 0.177 0.000 0.844 323 Q CB -0.522 28.354 28.738 0.230 0.000 0.898 323 Q HN 0.793 nan 8.270 nan 0.000 0.426 324 T N -0.768 113.947 114.554 0.269 0.000 2.857 324 T HA -0.090 4.260 4.350 -0.000 0.000 0.266 324 T C 1.800 176.606 174.700 0.176 0.000 1.048 324 T CA 0.531 62.797 62.100 0.276 0.000 1.139 324 T CB -0.220 68.748 68.868 0.166 0.000 0.874 324 T HN 0.069 nan 8.240 nan 0.000 0.455 325 L N 0.423 121.689 121.223 0.071 0.000 2.083 325 L HA 0.176 4.516 4.340 -0.000 0.000 0.209 325 L C 2.111 178.925 176.870 -0.093 0.000 1.083 325 L CA 1.258 56.020 54.840 -0.129 0.000 0.752 325 L CB -1.266 40.574 42.059 -0.364 0.000 0.899 325 L HN 0.372 nan 8.230 nan 0.000 0.433 326 F N -1.286 118.668 119.950 0.007 0.000 2.102 326 F HA -0.237 4.290 4.527 -0.000 0.000 0.298 326 F C 1.849 177.530 175.800 -0.199 0.000 1.105 326 F CA 1.657 59.655 58.000 -0.003 0.000 1.239 326 F CB -0.553 38.347 39.000 -0.165 0.000 0.991 326 F HN 0.099 nan 8.300 nan 0.000 0.474 327 W N -0.479 120.891 121.300 0.117 0.000 2.519 327 W HA -0.058 4.602 4.660 -0.000 0.000 0.266 327 W C 1.948 178.417 176.519 -0.084 0.000 1.253 327 W CA -0.142 57.192 57.345 -0.018 0.000 1.274 327 W CB -0.354 29.168 29.460 0.104 0.000 1.114 327 W HN 0.046 nan 8.180 nan 0.000 0.596 328 L N -0.259 121.020 121.223 0.094 0.000 2.027 328 L HA -0.170 4.170 4.340 -0.000 0.000 0.206 328 L C 2.396 179.238 176.870 -0.046 0.000 1.074 328 L CA 1.500 56.352 54.840 0.022 0.000 0.745 328 L CB -1.525 40.514 42.059 -0.032 0.000 0.898 328 L HN -0.005 nan 8.230 nan 0.000 0.433 329 L N -1.147 119.991 121.223 -0.142 0.000 2.013 329 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 329 L C 2.418 179.189 176.870 -0.165 0.000 1.073 329 L CA 1.780 56.522 54.840 -0.164 0.000 0.753 329 L CB -0.708 41.216 42.059 -0.225 0.000 0.890 329 L HN 0.076 nan 8.230 nan 0.000 0.432 330 V N 0.053 119.805 119.914 -0.270 0.000 2.287 330 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 330 V C 2.807 178.880 176.094 -0.035 0.000 1.053 330 V CA 1.758 63.947 62.300 -0.185 0.000 1.027 330 V CB -1.466 30.283 31.823 -0.123 0.000 0.646 330 V HN 0.638 nan 8.190 nan 0.000 0.447 331 A N 0.280 123.116 122.820 0.027 0.000 1.902 331 A HA -0.282 4.038 4.320 -0.000 0.000 0.217 331 A C 2.166 179.766 177.584 0.027 0.000 1.181 331 A CA 2.062 54.123 52.037 0.039 0.000 0.623 331 A CB -0.825 18.207 19.000 0.053 0.000 0.818 331 A HN 0.571 nan 8.150 nan 0.000 0.443 332 N N 0.454 119.164 118.700 0.016 0.000 2.061 332 N HA -0.154 4.586 4.740 -0.000 0.000 0.193 332 N C 1.622 177.150 175.510 0.029 0.000 1.030 332 N CA 1.898 54.969 53.050 0.035 0.000 0.856 332 N CB -0.462 38.050 38.487 0.042 0.000 1.023 332 N HN 0.517 nan 8.380 nan 0.000 0.424 333 L N 0.409 121.624 121.223 -0.014 0.000 2.083 333 L HA -0.107 4.233 4.340 -0.000 0.000 0.209 333 L C 2.456 179.321 176.870 -0.008 0.000 1.083 333 L CA 0.553 55.353 54.840 -0.067 0.000 0.752 333 L CB -0.323 41.622 42.059 -0.190 0.000 0.899 333 L HN 0.194 nan 8.230 nan 0.000 0.433 334 L N -0.474 120.759 121.223 0.016 0.000 2.046 334 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 334 L C 2.509 179.460 176.870 0.134 0.000 1.077 334 L CA 1.423 56.298 54.840 0.058 0.000 0.747 334 L CB -0.372 41.707 42.059 0.033 0.000 0.896 334 L HN 0.237 nan 8.230 nan 0.000 0.432 335 I N -0.237 120.417 120.570 0.140 0.000 2.208 335 I HA -0.342 3.828 4.170 -0.000 0.000 0.245 335 I C 2.475 178.732 176.117 0.234 0.000 1.097 335 I CA 1.385 62.842 61.300 0.262 0.000 1.363 335 I CB -0.212 37.917 38.000 0.215 0.000 1.051 335 I HN 0.219 nan 8.210 nan 0.000 0.413 336 L N -0.107 121.185 121.223 0.116 0.000 2.046 336 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 336 L C 2.640 179.559 176.870 0.083 0.000 1.077 336 L CA 1.539 56.412 54.840 0.056 0.000 0.747 336 L CB -0.831 41.235 42.059 0.012 0.000 0.896 336 L HN 0.265 nan 8.230 nan 0.000 0.432 337 T N -1.231 113.412 114.554 0.148 0.000 2.684 337 T HA -0.272 4.078 4.350 -0.000 0.000 0.267 337 T C 1.311 176.112 174.700 0.167 0.000 1.036 337 T CA 1.812 64.021 62.100 0.181 0.000 1.148 337 T CB -0.427 68.561 68.868 0.200 0.000 0.863 337 T HN 0.538 nan 8.240 nan 0.000 0.436 338 W N 2.003 123.297 121.300 -0.011 0.000 2.355 338 W HA -0.076 4.584 4.660 -0.000 0.000 0.309 338 W C 1.690 178.127 176.519 -0.137 0.000 1.206 338 W CA 0.490 57.796 57.345 -0.065 0.000 1.284 338 W CB -0.634 28.791 29.460 -0.059 0.000 1.145 338 W HN 0.061 nan 8.180 nan 0.000 0.502 339 I N 1.377 121.703 120.570 -0.406 0.000 2.208 339 I HA -0.191 3.979 4.170 -0.000 0.000 0.245 339 I C 2.552 178.411 176.117 -0.429 0.000 1.097 339 I CA 1.886 62.790 61.300 -0.661 0.000 1.363 339 I CB -2.066 35.718 38.000 -0.359 0.000 1.051 339 I HN 0.240 nan 8.210 nan 0.000 0.413 340 G N 0.444 109.130 108.800 -0.191 0.000 2.462 340 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.220 340 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.220 340 G C 1.636 176.523 174.900 -0.022 0.000 1.121 340 G CA 1.125 46.194 45.100 -0.053 0.000 0.758 340 G HN 0.553 nan 8.290 nan 0.000 0.559 341 S N -1.087 114.538 115.700 -0.125 0.000 2.575 341 S HA 0.253 4.723 4.470 -0.000 0.000 0.215 341 S C 0.824 175.271 174.600 -0.255 0.000 0.966 341 S CA -0.154 57.979 58.200 -0.111 0.000 0.911 341 S CB 0.219 63.394 63.200 -0.042 0.000 0.780 341 S HN 0.209 nan 8.310 nan 0.000 0.514 342 Q N 2.222 121.743 119.800 -0.466 0.000 2.215 342 Q HA 0.547 4.887 4.340 -0.000 0.000 0.256 342 Q C -2.594 173.185 176.000 -0.369 0.000 0.972 342 Q CA -2.396 53.025 55.803 -0.636 0.000 0.889 342 Q CB 0.793 28.635 28.738 -1.493 0.000 1.281 342 Q HN 0.234 nan 8.270 nan 0.000 0.456 343 P HA 0.077 nan 4.420 nan 0.000 0.272 343 P C -0.393 176.918 177.300 0.017 0.000 1.240 343 P CA -0.270 62.805 63.100 -0.041 0.000 0.791 343 P CB 0.539 32.261 31.700 0.036 0.000 0.978 344 V N 1.297 121.223 119.914 0.021 0.000 2.223 344 V HA 0.205 4.325 4.120 -0.000 0.000 0.249 344 V C 0.601 176.727 176.094 0.052 0.000 1.233 344 V CA 0.496 62.802 62.300 0.010 0.000 1.131 344 V CB -1.546 30.258 31.823 -0.032 0.000 1.298 344 V HN 0.526 nan 8.190 nan 0.000 0.498 345 E N 0.699 120.958 120.200 0.099 0.000 2.449 345 E HA 0.401 4.751 4.350 -0.000 0.000 0.278 345 E C -1.163 175.438 176.600 0.003 0.000 0.992 345 E CA -1.153 55.286 56.400 0.065 0.000 0.807 345 E CB 2.012 31.751 29.700 0.064 0.000 1.350 345 E HN 0.673 nan 8.360 nan 0.000 0.462 346 H N 2.247 121.259 119.070 -0.097 0.000 2.732 346 H HA 0.115 4.671 4.556 -0.000 0.000 0.351 346 H C -1.557 173.565 175.328 -0.343 0.000 1.090 346 H CA -1.097 54.860 56.048 -0.152 0.000 1.431 346 H CB 0.980 30.680 29.762 -0.104 0.000 1.447 346 H HN 0.217 nan 8.280 nan 0.000 0.582 347 P HA -0.033 nan 4.420 nan 0.000 0.251 347 P C 0.938 177.954 177.300 -0.473 0.000 1.223 347 P CA 0.548 62.953 63.100 -1.159 0.000 0.796 347 P CB 0.189 31.366 31.700 -0.871 0.000 1.068 348 F N 0.397 120.176 119.950 -0.286 0.000 2.161 348 F HA -0.166 4.361 4.527 -0.000 0.000 0.300 348 F C 2.459 178.132 175.800 -0.212 0.000 1.089 348 F CA 0.525 58.349 58.000 -0.293 0.000 1.282 348 F CB -0.756 38.047 39.000 -0.328 0.000 1.010 348 F HN -0.198 nan 8.300 nan 0.000 0.485 349 I N -0.219 120.365 120.570 0.024 0.000 2.142 349 I HA -0.286 3.884 4.170 -0.000 0.000 0.240 349 I C 2.460 178.580 176.117 0.006 0.000 1.078 349 I CA 1.191 62.496 61.300 0.008 0.000 1.343 349 I CB -0.430 37.585 38.000 0.026 0.000 1.046 349 I HN 0.132 nan 8.210 nan 0.000 0.405 350 I N 1.341 121.918 120.570 0.013 0.000 2.202 350 I HA -0.248 3.922 4.170 -0.000 0.000 0.242 350 I C 2.311 178.441 176.117 0.022 0.000 1.091 350 I CA 1.632 62.949 61.300 0.029 0.000 1.368 350 I CB -0.301 37.736 38.000 0.062 0.000 1.058 350 I HN 0.076 nan 8.210 nan 0.000 0.410 351 I N 0.646 121.223 120.570 0.013 0.000 2.248 351 I HA -0.276 3.894 4.170 -0.000 0.000 0.248 351 I C 2.525 178.661 176.117 0.033 0.000 1.107 351 I CA 1.523 62.852 61.300 0.048 0.000 1.373 351 I CB -1.300 36.755 38.000 0.091 0.000 1.055 351 I HN 0.421 nan 8.210 nan 0.000 0.418 352 G N 0.166 108.962 108.800 -0.006 0.000 2.421 352 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.216 352 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.216 352 G C 1.549 176.450 174.900 0.002 0.000 1.171 352 G CA 0.457 45.539 45.100 -0.030 0.000 0.775 352 G HN 0.433 nan 8.290 nan 0.000 0.543 353 Q N -0.661 119.147 119.800 0.013 0.000 2.224 353 Q HA 0.052 4.392 4.340 -0.000 0.000 0.203 353 Q C 2.656 178.688 176.000 0.054 0.000 0.970 353 Q CA 0.749 56.571 55.803 0.032 0.000 0.865 353 Q CB -0.131 28.623 28.738 0.026 0.000 0.922 353 Q HN 0.349 nan 8.270 nan 0.000 0.445 354 M N -0.025 119.606 119.600 0.052 0.000 2.123 354 M HA -0.033 4.447 4.480 -0.000 0.000 0.263 354 M C 2.310 178.654 176.300 0.073 0.000 1.069 354 M CA 1.356 56.692 55.300 0.061 0.000 1.133 354 M CB -1.112 31.523 32.600 0.058 0.000 1.356 354 M HN 0.225 nan 8.290 nan 0.000 0.415 355 A N -0.102 122.760 122.820 0.070 0.000 1.969 355 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 355 A C 2.474 180.111 177.584 0.089 0.000 1.169 355 A CA 1.980 54.062 52.037 0.074 0.000 0.635 355 A CB -0.713 18.326 19.000 0.066 0.000 0.810 355 A HN 0.497 nan 8.150 nan 0.000 0.445 356 S N -0.540 115.213 115.700 0.089 0.000 2.368 356 S HA -0.092 4.378 4.470 -0.000 0.000 0.224 356 S C 1.816 176.586 174.600 0.285 0.000 1.029 356 S CA 1.294 59.582 58.200 0.147 0.000 0.988 356 S CB -0.346 62.940 63.200 0.143 0.000 0.838 356 S HN 0.453 nan 8.310 nan 0.000 0.462 357 L N 2.385 123.734 121.223 0.211 0.000 2.056 357 L HA -0.038 4.302 4.340 -0.000 0.000 0.207 357 L C 2.364 179.346 176.870 0.187 0.000 1.078 357 L CA 1.892 56.861 54.840 0.216 0.000 0.749 357 L CB -0.853 41.280 42.059 0.123 0.000 0.901 357 L HN 0.398 nan 8.230 nan 0.000 0.433 358 S N -2.065 113.712 115.700 0.128 0.000 2.453 358 S HA -0.217 4.253 4.470 -0.000 0.000 0.231 358 S C 2.059 176.692 174.600 0.055 0.000 1.005 358 S CA 0.750 58.994 58.200 0.073 0.000 0.949 358 S CB -1.066 62.162 63.200 0.046 0.000 0.774 358 S HN 0.552 nan 8.310 nan 0.000 0.510 359 Y N 2.034 122.294 120.300 -0.067 0.000 2.114 359 Y HA -0.058 4.492 4.550 -0.000 0.000 0.284 359 Y C 1.695 177.455 175.900 -0.232 0.000 1.143 359 Y CA 1.361 59.337 58.100 -0.208 0.000 1.135 359 Y CB -0.759 37.486 38.460 -0.358 0.000 0.980 359 Y HN 0.266 nan 8.280 nan 0.000 0.499 360 F N -0.393 119.546 119.950 -0.018 0.000 2.259 360 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 360 F C 2.367 178.110 175.800 -0.095 0.000 1.088 360 F CA 1.554 59.490 58.000 -0.106 0.000 1.358 360 F CB -0.731 38.291 39.000 0.037 0.000 1.040 360 F HN -0.033 nan 8.300 nan 0.000 0.505 361 T N 0.789 115.402 114.554 0.098 0.000 2.708 361 T HA -0.165 4.185 4.350 -0.000 0.000 0.266 361 T C 2.090 176.760 174.700 -0.049 0.000 1.037 361 T CA 1.444 63.563 62.100 0.032 0.000 1.146 361 T CB -0.484 68.396 68.868 0.021 0.000 0.865 361 T HN 0.168 nan 8.240 nan 0.000 0.435 362 I N 0.692 121.188 120.570 -0.123 0.000 2.208 362 I HA -0.164 4.006 4.170 -0.000 0.000 0.245 362 I C 2.258 178.269 176.117 -0.177 0.000 1.097 362 I CA 1.343 62.501 61.300 -0.237 0.000 1.363 362 I CB -0.369 37.451 38.000 -0.299 0.000 1.051 362 I HN 0.198 nan 8.210 nan 0.000 0.413 363 L N -0.343 120.809 121.223 -0.118 0.000 2.127 363 L HA -0.105 4.235 4.340 -0.000 0.000 0.203 363 L C 2.380 179.278 176.870 0.046 0.000 1.080 363 L CA 0.938 55.787 54.840 0.016 0.000 0.768 363 L CB -0.275 41.695 42.059 -0.149 0.000 0.924 363 L HN 0.228 nan 8.230 nan 0.000 0.444 364 L N -0.903 120.339 121.223 0.032 0.000 2.127 364 L HA -0.064 4.276 4.340 -0.000 0.000 0.203 364 L C 2.177 179.071 176.870 0.040 0.000 1.080 364 L CA 1.097 55.970 54.840 0.055 0.000 0.768 364 L CB -0.046 42.061 42.059 0.080 0.000 0.924 364 L HN 0.195 nan 8.230 nan 0.000 0.444 365 I N -1.181 119.401 120.570 0.019 0.000 2.900 365 I HA -0.106 4.064 4.170 -0.000 0.000 0.251 365 I C 2.217 178.327 176.117 -0.011 0.000 1.102 365 I CA 0.301 61.605 61.300 0.006 0.000 1.457 365 I CB 0.028 38.028 38.000 0.001 0.000 1.285 365 I HN 0.048 nan 8.210 nan 0.000 0.459 366 L N 0.209 121.397 121.223 -0.058 0.000 1.994 366 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 366 L C 2.640 179.466 176.870 -0.073 0.000 1.071 366 L CA 1.834 56.611 54.840 -0.105 0.000 0.745 366 L CB -0.694 41.241 42.059 -0.206 0.000 0.892 366 L HN 0.168 nan 8.230 nan 0.000 0.431 367 F N 0.705 120.614 119.950 -0.068 0.000 2.065 367 F HA -0.202 4.325 4.527 -0.000 0.000 0.298 367 F C 0.037 175.782 175.800 -0.091 0.000 1.112 367 F CA 1.655 59.604 58.000 -0.086 0.000 1.212 367 F CB -1.376 37.558 39.000 -0.109 0.000 0.975 367 F HN 0.163 nan 8.300 nan 0.000 0.476 368 P HA -0.096 nan 4.420 nan 0.000 0.219 368 P C 1.338 178.648 177.300 0.018 0.000 1.150 368 P CA 1.624 64.746 63.100 0.036 0.000 0.814 368 P CB -0.210 31.507 31.700 0.027 0.000 0.787 369 T N 0.651 115.216 114.554 0.020 0.000 2.732 369 T HA -0.032 4.318 4.350 -0.000 0.000 0.261 369 T C 1.887 176.590 174.700 0.004 0.000 1.040 369 T CA 0.848 62.950 62.100 0.005 0.000 1.145 369 T CB -0.494 68.372 68.868 -0.005 0.000 0.866 369 T HN -0.063 nan 8.240 nan 0.000 0.427 370 I N 1.727 122.302 120.570 0.008 0.000 2.361 370 I HA -0.090 4.080 4.170 -0.000 0.000 0.251 370 I C 2.807 178.934 176.117 0.017 0.000 1.133 370 I CA 1.199 62.506 61.300 0.011 0.000 1.413 370 I CB -1.823 36.183 38.000 0.009 0.000 1.073 370 I HN 0.300 nan 8.210 nan 0.000 0.424 371 G N 0.487 109.295 108.800 0.014 0.000 2.446 371 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 371 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 371 G C 1.687 176.568 174.900 -0.032 0.000 1.168 371 G CA 1.453 46.531 45.100 -0.036 0.000 0.771 371 G HN 0.326 nan 8.290 nan 0.000 0.551 372 T N 1.098 115.640 114.554 -0.020 0.000 2.708 372 T HA -0.128 4.222 4.350 -0.000 0.000 0.266 372 T C 2.260 176.966 174.700 0.010 0.000 1.037 372 T CA 1.208 63.305 62.100 -0.005 0.000 1.146 372 T CB -0.316 68.551 68.868 -0.002 0.000 0.865 372 T HN 0.129 nan 8.240 nan 0.000 0.435 373 L N 1.531 122.760 121.223 0.009 0.000 2.013 373 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 373 L C 2.272 179.154 176.870 0.021 0.000 1.073 373 L CA 1.909 56.757 54.840 0.014 0.000 0.753 373 L CB -0.686 41.379 42.059 0.009 0.000 0.890 373 L HN 0.281 nan 8.230 nan 0.000 0.432 374 E N -0.775 119.438 120.200 0.022 0.000 2.204 374 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 374 E C 1.838 178.471 176.600 0.055 0.000 0.990 374 E CA 0.980 57.400 56.400 0.033 0.000 0.821 374 E CB -0.151 29.567 29.700 0.030 0.000 0.750 374 E HN 0.553 nan 8.360 nan 0.000 0.477 375 N N 0.825 119.560 118.700 0.059 0.000 2.244 375 N HA -0.119 4.621 4.740 -0.000 0.000 0.183 375 N C 1.371 176.951 175.510 0.116 0.000 1.016 375 N CA 0.973 54.091 53.050 0.114 0.000 0.866 375 N CB 0.015 38.553 38.487 0.084 0.000 0.980 375 N HN 0.166 nan 8.380 nan 0.000 0.430 376 K N 0.261 120.699 120.400 0.063 0.000 2.103 376 K HA 0.087 4.407 4.320 -0.000 0.000 0.204 376 K C 1.701 178.311 176.600 0.017 0.000 1.052 376 K CA 0.789 57.100 56.287 0.041 0.000 0.945 376 K CB -0.068 32.447 32.500 0.027 0.000 0.722 376 K HN 0.150 nan 8.250 nan 0.000 0.443 377 M N 0.625 120.235 119.600 0.017 0.000 2.686 377 M HA -0.027 4.453 4.480 -0.000 0.000 0.246 377 M C 1.179 177.465 176.300 -0.024 0.000 1.096 377 M CA 0.909 56.209 55.300 -0.001 0.000 1.076 377 M CB 0.193 32.799 32.600 0.009 0.000 1.504 377 M HN 0.081 nan 8.290 nan 0.000 0.524 378 L N -0.753 120.451 121.223 -0.032 0.000 2.693 378 L HA 0.197 4.537 4.340 -0.000 0.000 0.235 378 L C 0.222 176.915 176.870 -0.296 0.000 1.127 378 L CA -0.230 54.535 54.840 -0.125 0.000 0.914 378 L CB 0.097 42.133 42.059 -0.037 0.000 1.193 378 L HN 0.336 nan 8.230 nan 0.000 0.502 379 N N -0.104 118.498 118.700 -0.163 0.000 2.780 379 N HA -0.250 4.490 4.740 -0.000 0.000 0.247 379 N C -0.839 174.559 175.510 -0.188 0.000 1.076 379 N CA 0.672 53.627 53.050 -0.158 0.000 0.688 379 N CB -1.298 37.082 38.487 -0.179 0.000 0.957 379 N HN 0.374 nan 8.380 nan 0.000 0.551 380 Y N 0.000 120.300 120.300 -0.000 0.000 2.660 380 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 380 Y CA 0.000 58.101 58.100 0.001 0.000 1.940 380 Y CB 0.000 38.462 38.460 0.003 0.000 1.050 380 Y HN 0.000 nan 8.280 nan 0.000 0.758