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 2oz0_1_A DATA FIRST_RESID 2 DATA SEQUENCE PKLDMNKQKI SPAEVAKHNK PDDCWVVING YVYDLTRFLP NHPGGQDVIK DATA SEQUENCE FNAGKDVTAI FEPLHAPNVI DKYIAPEKKL GPLQGSMPPE LVCPPYAPGE DATA SEQUENCE TKEDIARKEQ LKSLLPPLDN IINLYDFEYL ASQTLTKQAW AYYSSGANDE DATA SEQUENCE VTHRENHNAY HRIFFKPKIL VDVRKVDIST DMLGSHVDVP FYVSATALCK DATA SEQUENCE LGNPLEGEKD VARGCGQGVT KVPQMISTLA SCSPEEIIEA APSDKQIQWY DATA SEQUENCE QLYVNSDRKI TDDLVKNVEK LGVKALFVTV DAPSLGQREK DMKLKFSNXX DATA SEQUENCE XXXXXXXXXX XXXXXGASRA LSKFIDPSLT WKDIEELKKK TKLPIVIKGV DATA SEQUENCE QRTEDVIKAA EIGVSGVVLS NQGGRQLDFS RAPIEVLAET MPILEQRNLK DATA SEQUENCE DKLEVFVDGG VRRGTDVLKA LCLGAKGVGL GRPFLYANSC YGRNGVEKAI DATA SEQUENCE EILRDEIEMS MRLLGVTSIA ELKPDLLDLS TLKARTVGVP NDVLYNEVYE DATA SEQUENCE GPTLTEFED VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.389 177.300 0.148 0.000 1.155 2 P CA 0.000 63.185 63.100 0.142 0.000 0.800 2 P CB 0.000 31.771 31.700 0.119 0.000 0.726 3 K N -1.274 119.221 120.400 0.157 0.000 2.544 3 K HA 0.693 5.013 4.320 0.000 0.000 0.282 3 K C -0.639 176.063 176.600 0.170 0.000 1.020 3 K CA -0.374 56.003 56.287 0.150 0.000 0.830 3 K CB 1.141 33.664 32.500 0.038 0.000 1.521 3 K HN 0.370 nan 8.250 nan 0.000 0.376 4 L N -0.143 121.050 121.223 -0.050 0.000 1.315 4 L HA 0.020 4.360 4.340 0.000 0.000 0.105 4 L C -0.659 175.928 176.870 -0.471 0.000 1.415 4 L CA 1.180 55.943 54.840 -0.129 0.000 1.170 4 L CB 0.288 42.491 42.059 0.241 0.000 2.420 4 L HN 0.699 nan 8.230 nan 0.000 0.465 5 D N -1.157 118.505 120.400 -1.231 0.000 3.031 5 D HA -0.375 4.265 4.640 0.000 0.000 0.180 5 D C 1.247 177.260 176.300 -0.478 0.000 1.571 5 D CA 2.291 55.748 54.000 -0.904 0.000 2.057 5 D CB -0.711 39.782 40.800 -0.512 0.000 1.356 5 D HN 0.521 nan 8.370 nan 0.000 0.442 6 M N -2.262 117.208 119.600 -0.216 0.000 6.502 6 M HA -0.488 3.992 4.480 0.000 0.000 0.144 6 M C 0.805 177.071 176.300 -0.057 0.000 0.543 6 M CA 3.637 58.909 55.300 -0.046 0.000 1.170 6 M CB -1.148 31.491 32.600 0.065 0.000 1.070 6 M HN 0.380 nan 8.290 nan 0.000 0.257 7 N N -2.191 116.472 118.700 -0.062 0.000 2.461 7 N HA 0.050 4.790 4.740 0.000 0.000 0.291 7 N C -1.084 174.403 175.510 -0.039 0.000 1.611 7 N CA 1.121 54.139 53.050 -0.053 0.000 3.184 7 N CB 0.057 38.520 38.487 -0.039 0.000 1.588 7 N HN 0.554 nan 8.380 nan 0.000 1.137 8 K N 0.120 120.507 120.400 -0.022 0.000 2.211 8 K HA 0.599 4.919 4.320 0.000 0.000 0.237 8 K C 0.051 176.650 176.600 -0.003 0.000 1.002 8 K CA -0.087 56.194 56.287 -0.011 0.000 0.885 8 K CB 1.956 34.451 32.500 -0.008 0.000 1.136 8 K HN 0.237 nan 8.250 nan 0.000 0.448 9 Q N 0.658 120.458 119.800 0.000 0.000 7.941 9 Q HA -0.145 4.195 4.340 0.000 0.000 0.369 9 Q C -1.416 174.591 176.000 0.013 0.000 0.956 9 Q CA 1.613 57.417 55.803 0.003 0.000 0.539 9 Q CB -0.655 28.074 28.738 -0.015 0.000 0.156 9 Q HN 0.655 nan 8.270 nan 0.000 0.898 10 K N 0.136 120.544 120.400 0.012 0.000 3.856 10 K HA -0.015 4.305 4.320 0.000 0.000 0.880 10 K C -0.869 175.748 176.600 0.029 0.000 2.332 10 K CA 0.932 57.231 56.287 0.020 0.000 1.426 10 K CB -1.414 31.100 32.500 0.023 0.000 2.671 10 K HN 1.208 nan 8.250 nan 0.000 0.198 11 I N -3.190 117.403 120.570 0.038 0.000 1.614 11 I HA 0.211 4.381 4.170 0.000 0.000 0.314 11 I C -1.880 174.270 176.117 0.055 0.000 3.115 11 I CA -0.256 61.080 61.300 0.059 0.000 1.028 11 I CB 0.771 38.831 38.000 0.100 0.000 2.471 11 I HN 0.889 nan 8.210 nan 0.000 0.693 12 S N 1.265 117.007 115.700 0.069 0.000 2.733 12 S HA 0.593 5.063 4.470 0.000 0.000 0.294 12 S C -2.532 172.103 174.600 0.059 0.000 1.149 12 S CA -1.293 56.943 58.200 0.060 0.000 1.034 12 S CB 1.509 64.742 63.200 0.055 0.000 1.015 12 S HN 0.657 nan 8.310 nan 0.000 0.486 13 P HA 0.052 nan 4.420 nan 0.000 0.260 13 P C 0.622 177.941 177.300 0.032 0.000 1.264 13 P CA 1.036 64.158 63.100 0.037 0.000 0.748 13 P CB -0.288 31.429 31.700 0.029 0.000 1.025 14 A N -1.643 121.197 122.820 0.035 0.000 2.487 14 A HA 0.050 4.370 4.320 0.000 0.000 0.192 14 A C 1.513 179.110 177.584 0.022 0.000 1.709 14 A CA 0.147 52.199 52.037 0.026 0.000 1.105 14 A CB -0.268 18.741 19.000 0.014 0.000 1.081 14 A HN 0.210 nan 8.150 nan 0.000 0.445 15 E N 0.335 120.556 120.200 0.035 0.000 2.276 15 E HA 0.104 4.454 4.350 0.000 0.000 0.193 15 E C 1.037 177.683 176.600 0.078 0.000 0.983 15 E CA 1.675 58.092 56.400 0.027 0.000 0.861 15 E CB -0.689 29.023 29.700 0.019 0.000 0.817 15 E HN 0.342 nan 8.360 nan 0.000 0.485 16 V N 1.006 121.010 119.914 0.150 0.000 3.461 16 V HA 0.180 4.300 4.120 0.000 0.000 0.267 16 V C 2.225 178.437 176.094 0.196 0.000 1.186 16 V CA 0.860 63.323 62.300 0.272 0.000 1.154 16 V CB -0.710 31.269 31.823 0.259 0.000 0.802 16 V HN 0.427 nan 8.190 nan 0.000 0.474 17 A N 0.310 123.187 122.820 0.095 0.000 2.186 17 A HA -0.128 4.192 4.320 0.000 0.000 0.219 17 A C 1.548 179.142 177.584 0.018 0.000 1.159 17 A CA 1.146 53.214 52.037 0.051 0.000 0.680 17 A CB -0.337 18.678 19.000 0.024 0.000 0.787 17 A HN 0.576 nan 8.150 nan 0.000 0.467 18 K N -0.260 120.134 120.400 -0.010 0.000 2.805 18 K HA 0.342 4.662 4.320 0.000 0.000 0.227 18 K C -0.685 175.696 176.600 -0.365 0.000 1.207 18 K CA -0.072 56.116 56.287 -0.165 0.000 1.153 18 K CB 0.099 32.453 32.500 -0.243 0.000 1.688 18 K HN 0.541 nan 8.250 nan 0.000 0.467 19 H N -1.071 117.922 119.070 -0.128 0.000 3.650 19 H HA -0.005 4.551 4.556 0.000 0.000 0.260 19 H C 1.329 176.606 175.328 -0.084 0.000 1.194 19 H CA -0.182 55.764 56.048 -0.169 0.000 1.135 19 H CB 0.455 30.071 29.762 -0.243 0.000 1.612 19 H HN 0.372 nan 8.280 nan 0.000 0.703 20 N N 2.145 120.856 118.700 0.018 0.000 2.476 20 N HA -0.187 4.553 4.740 0.000 0.000 0.196 20 N C -0.226 175.264 175.510 -0.033 0.000 1.024 20 N CA 0.814 53.861 53.050 -0.005 0.000 0.909 20 N CB -0.067 38.401 38.487 -0.032 0.000 0.947 20 N HN 0.274 nan 8.380 nan 0.000 0.450 21 K N 2.286 122.662 120.400 -0.041 0.000 2.273 21 K HA 0.182 4.502 4.320 0.000 0.000 0.287 21 K C -2.196 174.393 176.600 -0.019 0.000 1.089 21 K CA -1.632 54.625 56.287 -0.050 0.000 0.909 21 K CB 1.119 33.579 32.500 -0.067 0.000 1.123 21 K HN 0.110 nan 8.250 nan 0.000 0.473 22 P HA -0.034 nan 4.420 nan 0.000 0.235 22 P C -0.656 176.657 177.300 0.022 0.000 1.670 22 P CA 0.603 63.710 63.100 0.012 0.000 1.017 22 P CB 0.297 31.997 31.700 -0.001 0.000 1.945 23 D N -1.015 119.403 120.400 0.030 0.000 1.698 23 D HA -0.016 4.624 4.640 0.000 0.000 0.570 23 D C -0.419 175.907 176.300 0.044 0.000 0.983 23 D CA 0.209 54.225 54.000 0.026 0.000 1.141 23 D CB 0.087 40.889 40.800 0.003 0.000 1.773 23 D HN 0.275 nan 8.370 nan 0.000 0.504 24 D N 1.431 121.857 120.400 0.044 0.000 2.454 24 D HA 0.272 4.912 4.640 0.000 0.000 0.247 24 D C -1.359 175.010 176.300 0.116 0.000 1.129 24 D CA -0.228 53.812 54.000 0.065 0.000 0.877 24 D CB 0.859 41.654 40.800 -0.009 0.000 1.082 24 D HN -0.009 nan 8.370 nan 0.000 0.537 25 C N 6.174 125.598 119.300 0.205 0.000 2.478 25 C HA 0.569 5.029 4.460 0.000 0.000 0.334 25 C C -1.206 174.024 174.990 0.400 0.000 1.106 25 C CA -0.575 58.586 59.018 0.237 0.000 1.363 25 C CB -0.446 27.383 27.740 0.148 0.000 1.941 25 C HN 0.602 nan 8.230 nan 0.000 0.436 26 W N 3.787 125.051 121.300 -0.060 0.000 2.706 26 W HA 0.835 5.495 4.660 0.000 0.000 0.346 26 W C -0.293 176.174 176.519 -0.087 0.000 1.071 26 W CA -0.654 56.591 57.345 -0.167 0.000 1.206 26 W CB 1.462 30.635 29.460 -0.478 0.000 1.413 26 W HN 0.411 nan 8.180 nan 0.000 0.542 27 V N 1.464 121.443 119.914 0.109 0.000 3.188 27 V HA 0.552 4.672 4.120 0.000 0.000 0.305 27 V C -1.436 174.673 176.094 0.025 0.000 1.232 27 V CA -1.149 61.190 62.300 0.065 0.000 1.043 27 V CB 2.715 34.557 31.823 0.031 0.000 1.068 27 V HN 0.157 nan 8.190 nan 0.000 0.439 28 V N 4.659 124.593 119.914 0.032 0.000 2.417 28 V HA 0.594 4.714 4.120 0.000 0.000 0.291 28 V C -0.893 175.238 176.094 0.062 0.000 1.024 28 V CA -0.394 61.919 62.300 0.021 0.000 0.861 28 V CB 1.527 33.359 31.823 0.014 0.000 0.985 28 V HN 0.568 nan 8.190 nan 0.000 0.436 29 I N 5.880 126.534 120.570 0.140 0.000 2.447 29 I HA 0.444 4.614 4.170 0.000 0.000 0.287 29 I C 0.491 176.718 176.117 0.183 0.000 1.023 29 I CA -0.216 61.161 61.300 0.128 0.000 1.083 29 I CB 1.294 39.251 38.000 -0.071 0.000 1.245 29 I HN 0.860 nan 8.210 nan 0.000 0.434 30 N N 3.745 122.518 118.700 0.122 0.000 1.227 30 N HA -0.275 4.465 4.740 0.000 0.000 0.098 30 N C 1.526 177.100 175.510 0.106 0.000 0.781 30 N CA 2.251 55.371 53.050 0.116 0.000 0.828 30 N CB -0.775 37.789 38.487 0.127 0.000 0.924 30 N HN 0.878 nan 8.380 nan 0.000 0.694 31 G N -2.097 106.757 108.800 0.090 0.000 2.517 31 G HA2 -0.213 3.747 3.960 0.000 0.000 0.222 31 G HA3 -0.213 3.747 3.960 0.000 0.000 0.222 31 G C 0.197 175.157 174.900 0.099 0.000 1.109 31 G CA 1.845 46.980 45.100 0.057 0.000 0.746 31 G HN 0.509 nan 8.290 nan 0.000 0.576 32 Y N -1.070 119.163 120.300 -0.112 0.000 2.562 32 Y HA 0.587 5.137 4.550 0.000 0.000 0.343 32 Y C -0.365 175.229 175.900 -0.510 0.000 1.025 32 Y CA -2.508 55.401 58.100 -0.319 0.000 1.082 32 Y CB 2.030 40.260 38.460 -0.383 0.000 1.264 32 Y HN 0.103 nan 8.280 nan 0.000 0.478 33 V N 4.771 124.128 119.914 -0.929 0.000 2.628 33 V HA 0.671 4.791 4.120 0.000 0.000 0.306 33 V C -2.276 173.098 176.094 -1.200 0.000 1.045 33 V CA -0.531 61.235 62.300 -0.891 0.000 0.905 33 V CB 1.521 33.077 31.823 -0.445 0.000 0.997 33 V HN 0.635 nan 8.190 nan 0.000 0.436 34 Y N 2.954 122.904 120.300 -0.583 0.000 2.386 34 Y HA 0.514 5.064 4.550 0.000 0.000 0.334 34 Y C -0.403 175.191 175.900 -0.509 0.000 1.002 34 Y CA -0.846 56.930 58.100 -0.540 0.000 1.068 34 Y CB 1.772 39.984 38.460 -0.414 0.000 1.203 34 Y HN 0.804 nan 8.280 nan 0.000 0.443 35 D N 2.875 123.048 120.400 -0.379 0.000 2.313 35 D HA 0.261 4.901 4.640 0.000 0.000 0.239 35 D C 0.152 176.433 176.300 -0.031 0.000 1.142 35 D CA -0.135 53.703 54.000 -0.271 0.000 0.847 35 D CB 0.976 41.609 40.800 -0.278 0.000 1.082 35 D HN 0.341 nan 8.370 nan 0.000 0.480 36 L N 2.975 124.242 121.223 0.072 0.000 2.130 36 L HA -0.006 4.334 4.340 0.000 0.000 0.200 36 L C 2.419 179.390 176.870 0.167 0.000 1.075 36 L CA 0.804 55.721 54.840 0.128 0.000 0.768 36 L CB -1.943 40.188 42.059 0.120 0.000 0.933 36 L HN 0.634 nan 8.230 nan 0.000 0.451 37 T N 0.424 115.074 114.554 0.160 0.000 3.399 37 T HA -0.338 4.012 4.350 0.000 0.000 0.232 37 T C 2.034 176.807 174.700 0.122 0.000 0.972 37 T CA 2.607 64.790 62.100 0.138 0.000 1.207 37 T CB -0.077 68.880 68.868 0.148 0.000 0.768 37 T HN 0.382 nan 8.240 nan 0.000 0.531 38 R N -0.128 120.457 120.500 0.141 0.000 2.090 38 R HA 0.144 4.484 4.340 0.000 0.000 0.219 38 R C 2.112 178.518 176.300 0.177 0.000 1.100 38 R CA 1.808 57.992 56.100 0.141 0.000 0.991 38 R CB -1.530 28.846 30.300 0.128 0.000 0.893 38 R HN 0.573 nan 8.270 nan 0.000 0.443 39 F N 1.313 121.299 119.950 0.060 0.000 2.530 39 F HA 0.178 4.705 4.527 0.000 0.000 0.292 39 F C 1.874 177.728 175.800 0.091 0.000 1.109 39 F CA -0.130 57.918 58.000 0.080 0.000 1.450 39 F CB 0.028 39.081 39.000 0.088 0.000 1.114 39 F HN -0.100 nan 8.300 nan 0.000 0.560 40 L N 1.960 123.228 121.223 0.075 0.000 2.113 40 L HA -0.254 4.086 4.340 0.000 0.000 0.237 40 L C -0.724 176.063 176.870 -0.140 0.000 1.113 40 L CA 2.819 57.640 54.840 -0.031 0.000 0.837 40 L CB -2.417 39.667 42.059 0.041 0.000 0.929 40 L HN 0.116 nan 8.230 nan 0.000 0.449 41 P HA -0.026 nan 4.420 nan 0.000 0.242 41 P C 0.277 177.512 177.300 -0.109 0.000 1.197 41 P CA 0.919 63.980 63.100 -0.065 0.000 0.765 41 P CB -0.027 31.661 31.700 -0.020 0.000 0.936 42 N N -0.371 118.191 118.700 -0.231 0.000 2.541 42 N HA 0.039 4.779 4.740 0.000 0.000 0.297 42 N C -0.678 174.576 175.510 -0.425 0.000 1.503 42 N CA -0.068 52.836 53.050 -0.243 0.000 0.919 42 N CB 0.220 38.611 38.487 -0.160 0.000 1.305 42 N HN 0.169 nan 8.380 nan 0.000 0.501 43 H N 1.067 119.851 119.070 -0.475 0.000 3.092 43 H HA 0.207 4.764 4.556 0.000 0.000 0.308 43 H C -1.940 173.264 175.328 -0.206 0.000 1.047 43 H CA -1.444 54.316 56.048 -0.479 0.000 1.466 43 H CB 1.707 31.134 29.762 -0.558 0.000 1.597 43 H HN -0.020 nan 8.280 nan 0.000 0.512 44 P HA -0.230 nan 4.420 nan 0.000 0.233 44 P C 0.967 178.133 177.300 -0.222 0.000 1.100 44 P CA 2.261 65.125 63.100 -0.393 0.000 1.009 44 P CB -0.376 30.996 31.700 -0.546 0.000 0.759 45 G N -0.563 108.130 108.800 -0.179 0.000 3.541 45 G HA2 0.436 4.396 3.960 0.000 0.000 0.253 45 G HA3 0.436 4.396 3.960 0.000 0.000 0.253 45 G C 0.440 175.359 174.900 0.032 0.000 1.017 45 G CA 0.263 45.331 45.100 -0.054 0.000 1.832 45 G HN 0.585 nan 8.290 nan 0.000 0.649 46 G N 0.124 108.935 108.800 0.019 0.000 2.825 46 G HA2 -0.226 3.734 3.960 0.000 0.000 0.684 46 G HA3 -0.226 3.734 3.960 0.000 0.000 0.684 46 G C 0.521 175.472 174.900 0.085 0.000 1.528 46 G CA 0.258 45.379 45.100 0.035 0.000 0.963 46 G HN 0.706 nan 8.290 nan 0.000 0.577 47 Q N 0.678 120.512 119.800 0.056 0.000 2.263 47 Q HA 0.014 4.355 4.340 0.000 0.000 0.196 47 Q C 2.055 178.074 176.000 0.031 0.000 0.965 47 Q CA 1.575 57.401 55.803 0.039 0.000 0.851 47 Q CB -0.163 28.580 28.738 0.009 0.000 0.948 47 Q HN 0.915 nan 8.270 nan 0.000 0.516 48 D N 0.459 120.903 120.400 0.073 0.000 4.980 48 D HA -0.349 4.292 4.640 0.000 0.000 0.418 48 D C 1.424 177.815 176.300 0.151 0.000 1.658 48 D CA 3.651 57.729 54.000 0.131 0.000 1.165 48 D CB -1.185 39.659 40.800 0.072 0.000 0.342 48 D HN 0.337 nan 8.370 nan 0.000 0.991 49 V N 0.006 119.959 119.914 0.064 0.000 3.026 49 V HA -0.044 4.076 4.120 0.000 0.000 0.265 49 V C 1.995 178.111 176.094 0.038 0.000 1.121 49 V CA 1.926 64.245 62.300 0.030 0.000 1.142 49 V CB -0.827 30.972 31.823 -0.040 0.000 0.730 49 V HN 0.676 nan 8.190 nan 0.000 0.503 50 I N -3.570 117.020 120.570 0.033 0.000 4.288 50 I HA 0.245 4.415 4.170 0.000 0.000 0.331 50 I C 2.051 178.196 176.117 0.048 0.000 1.322 50 I CA -0.023 61.282 61.300 0.008 0.000 1.149 50 I CB -0.125 37.828 38.000 -0.078 0.000 1.112 50 I HN 0.065 nan 8.210 nan 0.000 0.403 51 K N 1.438 121.893 120.400 0.092 0.000 1.977 51 K HA -0.153 4.167 4.320 0.000 0.000 0.218 51 K C 1.419 178.041 176.600 0.036 0.000 1.051 51 K CA 2.010 58.338 56.287 0.069 0.000 0.953 51 K CB -0.514 32.074 32.500 0.147 0.000 0.727 51 K HN 0.228 nan 8.250 nan 0.000 0.445 52 F N 0.898 120.852 119.950 0.007 0.000 2.754 52 F HA -0.102 4.425 4.527 0.000 0.000 0.298 52 F C 0.738 176.541 175.800 0.004 0.000 1.234 52 F CA 0.886 58.895 58.000 0.015 0.000 1.460 52 F CB -0.233 38.787 39.000 0.033 0.000 1.120 52 F HN 0.187 nan 8.300 nan 0.000 0.592 53 N N -1.677 117.075 118.700 0.087 0.000 1.938 53 N HA 0.236 4.976 4.740 0.000 0.000 0.225 53 N C 0.103 175.628 175.510 0.026 0.000 1.400 53 N CA 0.041 53.122 53.050 0.050 0.000 0.772 53 N CB 0.358 38.861 38.487 0.027 0.000 1.124 53 N HN 0.014 nan 8.380 nan 0.000 0.513 54 A N 0.235 123.066 122.820 0.018 0.000 2.406 54 A HA 0.523 4.844 4.320 0.000 0.000 0.243 54 A C 1.352 178.962 177.584 0.043 0.000 1.082 54 A CA 0.767 52.822 52.037 0.031 0.000 0.786 54 A CB -0.438 18.583 19.000 0.035 0.000 1.029 54 A HN 0.512 nan 8.150 nan 0.000 0.495 55 G N 0.498 109.345 108.800 0.079 0.000 2.314 55 G HA2 -0.191 3.769 3.960 0.000 0.000 0.292 55 G HA3 -0.191 3.769 3.960 0.000 0.000 0.292 55 G C -0.078 174.865 174.900 0.072 0.000 1.059 55 G CA 0.978 46.139 45.100 0.102 0.000 0.982 55 G HN 0.958 nan 8.290 nan 0.000 0.505 56 K N -0.911 119.525 120.400 0.059 0.000 2.430 56 K HA 0.541 4.861 4.320 0.000 0.000 0.268 56 K C -1.196 175.428 176.600 0.040 0.000 1.043 56 K CA -1.223 55.092 56.287 0.047 0.000 0.899 56 K CB 1.225 33.748 32.500 0.038 0.000 1.472 56 K HN -0.010 nan 8.250 nan 0.000 0.451 57 D N 0.767 121.191 120.400 0.039 0.000 2.225 57 D HA 0.372 5.012 4.640 0.000 0.000 0.248 57 D C 0.229 176.551 176.300 0.038 0.000 1.096 57 D CA 0.225 54.248 54.000 0.038 0.000 0.863 57 D CB 1.551 42.377 40.800 0.044 0.000 1.156 57 D HN 0.405 nan 8.370 nan 0.000 0.450 58 V N 1.832 121.769 119.914 0.039 0.000 0.384 58 V HA -0.295 3.825 4.120 0.000 0.000 0.092 58 V C 2.189 178.323 176.094 0.067 0.000 2.743 58 V CA 0.819 63.139 62.300 0.033 0.000 3.815 58 V CB -1.373 30.454 31.823 0.007 0.000 1.069 58 V HN 0.552 nan 8.190 nan 0.000 1.126 59 T N 1.066 115.665 114.554 0.075 0.000 2.714 59 T HA -0.293 4.057 4.350 0.000 0.000 0.268 59 T C 1.860 176.631 174.700 0.119 0.000 1.036 59 T CA 3.000 65.172 62.100 0.120 0.000 1.148 59 T CB -0.456 68.478 68.868 0.109 0.000 0.856 59 T HN 1.154 nan 8.240 nan 0.000 0.462 60 A N 1.460 124.335 122.820 0.092 0.000 1.940 60 A HA -0.175 4.145 4.320 0.000 0.000 0.221 60 A C 2.194 179.843 177.584 0.107 0.000 1.190 60 A CA 1.867 53.958 52.037 0.091 0.000 0.647 60 A CB -0.606 18.445 19.000 0.084 0.000 0.821 60 A HN 0.595 nan 8.150 nan 0.000 0.457 61 I N -3.238 117.391 120.570 0.098 0.000 2.556 61 I HA 0.031 4.201 4.170 0.000 0.000 0.251 61 I C 2.354 178.544 176.117 0.123 0.000 1.105 61 I CA 0.968 62.314 61.300 0.076 0.000 1.436 61 I CB -1.510 36.448 38.000 -0.070 0.000 1.139 61 I HN 0.339 nan 8.210 nan 0.000 0.438 62 F N 2.606 122.530 119.950 -0.043 0.000 2.163 62 F HA -0.074 4.453 4.527 0.000 0.000 0.297 62 F C 2.560 178.352 175.800 -0.014 0.000 1.094 62 F CA 1.524 59.433 58.000 -0.151 0.000 1.290 62 F CB -0.086 38.734 39.000 -0.301 0.000 1.017 62 F HN -0.096 nan 8.300 nan 0.000 0.483 63 E N 0.752 120.967 120.200 0.025 0.000 2.023 63 E HA -0.163 4.187 4.350 0.000 0.000 0.196 63 E C -0.589 175.963 176.600 -0.080 0.000 1.003 63 E CA 1.657 58.044 56.400 -0.020 0.000 0.809 63 E CB -1.960 27.801 29.700 0.101 0.000 0.755 63 E HN 0.317 nan 8.360 nan 0.000 0.449 64 P HA 0.091 nan 4.420 nan 0.000 0.255 64 P C 0.182 177.485 177.300 0.004 0.000 1.357 64 P CA 0.541 63.647 63.100 0.009 0.000 0.839 64 P CB -0.081 31.640 31.700 0.035 0.000 1.356 65 L N -3.482 117.738 121.223 -0.006 0.000 3.520 65 L HA 0.308 4.648 4.340 0.000 0.000 0.323 65 L C 0.045 176.845 176.870 -0.117 0.000 1.246 65 L CA -0.226 54.603 54.840 -0.019 0.000 1.085 65 L CB -0.032 42.035 42.059 0.013 0.000 1.477 65 L HN -0.051 nan 8.230 nan 0.000 0.624 66 H N 0.115 119.000 119.070 -0.309 0.000 2.737 66 H HA 0.759 5.315 4.556 0.000 0.000 0.358 66 H C -0.006 175.206 175.328 -0.194 0.000 1.187 66 H CA -0.371 55.489 56.048 -0.313 0.000 1.221 66 H CB 1.543 30.851 29.762 -0.756 0.000 1.799 66 H HN 0.066 nan 8.280 nan 0.000 0.568 67 A N 2.134 124.978 122.820 0.039 0.000 2.371 67 A HA 0.296 4.616 4.320 0.000 0.000 0.257 67 A C -1.642 176.022 177.584 0.133 0.000 1.089 67 A CA -1.084 51.005 52.037 0.087 0.000 0.794 67 A CB 0.070 19.149 19.000 0.133 0.000 1.029 67 A HN 0.595 nan 8.150 nan 0.000 0.488 68 P HA -0.177 nan 4.420 nan 0.000 0.205 68 P C 0.830 178.216 177.300 0.143 0.000 1.203 68 P CA 1.688 64.853 63.100 0.109 0.000 0.926 68 P CB -0.354 31.392 31.700 0.077 0.000 0.767 69 N N 0.280 119.050 118.700 0.117 0.000 2.870 69 N HA -0.133 4.608 4.740 0.000 0.000 0.206 69 N C 1.213 176.797 175.510 0.125 0.000 1.424 69 N CA 0.463 53.569 53.050 0.093 0.000 0.992 69 N CB -0.838 37.682 38.487 0.055 0.000 1.123 69 N HN 0.070 nan 8.380 nan 0.000 0.451 70 V N -1.897 118.155 119.914 0.229 0.000 2.250 70 V HA -0.318 3.802 4.120 0.000 0.000 0.250 70 V C 1.940 178.202 176.094 0.279 0.000 1.060 70 V CA 1.489 64.011 62.300 0.369 0.000 1.030 70 V CB -0.660 31.439 31.823 0.459 0.000 0.643 70 V HN 0.248 nan 8.190 nan 0.000 0.445 71 I N 1.255 121.880 120.570 0.093 0.000 2.087 71 I HA -0.161 4.009 4.170 0.000 0.000 0.231 71 I C 2.237 178.331 176.117 -0.038 0.000 1.058 71 I CA 2.228 63.476 61.300 -0.088 0.000 1.328 71 I CB -0.918 36.943 38.000 -0.231 0.000 1.079 71 I HN 0.320 nan 8.210 nan 0.000 0.397 72 D N -0.325 120.071 120.400 -0.006 0.000 2.430 72 D HA -0.188 4.452 4.640 0.000 0.000 0.240 72 D C 1.686 177.938 176.300 -0.079 0.000 1.078 72 D CA 0.955 54.947 54.000 -0.014 0.000 0.997 72 D CB 0.050 40.861 40.800 0.019 0.000 0.868 72 D HN 0.133 nan 8.370 nan 0.000 0.518 73 K N -2.088 118.216 120.400 -0.160 0.000 2.424 73 K HA 0.177 4.497 4.320 0.000 0.000 0.200 73 K C 0.593 176.867 176.600 -0.543 0.000 1.279 73 K CA 0.302 56.349 56.287 -0.401 0.000 0.918 73 K CB 0.358 32.496 32.500 -0.603 0.000 1.287 73 K HN 0.133 nan 8.250 nan 0.000 0.502 74 Y N 0.042 120.306 120.300 -0.059 0.000 2.442 74 Y HA 0.362 4.912 4.550 0.000 0.000 0.250 74 Y C 0.554 176.369 175.900 -0.141 0.000 1.113 74 Y CA -0.523 57.521 58.100 -0.093 0.000 1.273 74 Y CB 1.039 39.444 38.460 -0.092 0.000 1.138 74 Y HN -0.035 nan 8.280 nan 0.000 0.522 75 I N -0.085 120.461 120.570 -0.041 0.000 2.562 75 I HA 0.789 4.959 4.170 0.000 0.000 0.301 75 I C -0.387 175.709 176.117 -0.034 0.000 1.003 75 I CA -1.152 60.111 61.300 -0.062 0.000 1.127 75 I CB 1.586 39.507 38.000 -0.131 0.000 1.304 75 I HN -0.080 nan 8.210 nan 0.000 0.446 76 A N 7.608 130.417 122.820 -0.019 0.000 2.425 76 A HA 0.453 4.773 4.320 0.000 0.000 0.249 76 A C -1.661 175.913 177.584 -0.017 0.000 1.084 76 A CA -1.335 50.693 52.037 -0.015 0.000 0.781 76 A CB -0.336 18.660 19.000 -0.005 0.000 1.019 76 A HN 0.730 nan 8.150 nan 0.000 0.490 77 P HA -0.145 nan 4.420 nan 0.000 0.229 77 P C 0.120 177.410 177.300 -0.016 0.000 1.150 77 P CA 1.447 64.546 63.100 -0.001 0.000 0.765 77 P CB 0.070 31.770 31.700 -0.001 0.000 0.783 78 E N -1.372 118.805 120.200 -0.039 0.000 2.603 78 E HA 0.135 4.485 4.350 0.000 0.000 0.211 78 E C 1.301 177.832 176.600 -0.114 0.000 0.995 78 E CA -0.265 56.095 56.400 -0.067 0.000 0.990 78 E CB 0.101 29.776 29.700 -0.040 0.000 1.036 78 E HN 0.143 nan 8.360 nan 0.000 0.475 79 K N 1.248 121.576 120.400 -0.121 0.000 2.335 79 K HA 0.125 4.445 4.320 0.000 0.000 0.195 79 K C 0.295 176.719 176.600 -0.293 0.000 1.058 79 K CA 0.065 56.243 56.287 -0.181 0.000 0.988 79 K CB 0.275 32.713 32.500 -0.103 0.000 0.880 79 K HN 0.035 nan 8.250 nan 0.000 0.513 80 K N 2.622 122.890 120.400 -0.220 0.000 1.925 80 K HA -0.001 4.319 4.320 0.000 0.000 0.216 80 K C 0.696 176.983 176.600 -0.521 0.000 1.159 80 K CA -0.051 55.999 56.287 -0.394 0.000 1.219 80 K CB 0.004 32.479 32.500 -0.041 0.000 1.143 80 K HN -0.064 nan 8.250 nan 0.000 0.258 81 L N 0.691 121.445 121.223 -0.782 0.000 1.973 81 L HA 0.001 4.341 4.340 0.000 0.000 0.208 81 L C 1.194 177.849 176.870 -0.359 0.000 1.073 81 L CA 1.749 56.232 54.840 -0.595 0.000 0.746 81 L CB -1.000 40.583 42.059 -0.795 0.000 0.891 81 L HN 0.800 nan 8.230 nan 0.000 0.433 82 G N -3.110 105.468 108.800 -0.370 0.000 2.340 82 G HA2 0.295 4.255 3.960 0.000 0.000 0.298 82 G HA3 0.295 4.255 3.960 0.000 0.000 0.298 82 G C -3.015 171.989 174.900 0.173 0.000 1.498 82 G CA -0.913 44.295 45.100 0.180 0.000 0.847 82 G HN -0.172 nan 8.290 nan 0.000 0.594 83 P HA 0.232 nan 4.420 nan 0.000 0.264 83 P C 0.458 177.781 177.300 0.038 0.000 1.179 83 P CA -0.155 63.011 63.100 0.110 0.000 0.763 83 P CB 0.508 32.214 31.700 0.010 0.000 0.806 84 L N 2.583 123.825 121.223 0.031 0.000 2.349 84 L HA 0.291 4.631 4.340 0.000 0.000 0.275 84 L C -0.394 176.488 176.870 0.020 0.000 1.115 84 L CA -0.111 54.743 54.840 0.023 0.000 0.820 84 L CB 0.407 42.481 42.059 0.025 0.000 1.135 84 L HN 0.236 nan 8.230 nan 0.000 0.445 85 Q N 4.858 124.671 119.800 0.021 0.000 2.357 85 Q HA 0.525 4.865 4.340 0.000 0.000 0.266 85 Q C 0.366 176.376 176.000 0.018 0.000 1.021 85 Q CA 0.039 55.852 55.803 0.016 0.000 0.784 85 Q CB 1.434 30.180 28.738 0.014 0.000 1.243 85 Q HN 1.122 nan 8.270 nan 0.000 0.465 86 G N 2.717 111.526 108.800 0.016 0.000 2.697 86 G HA2 -0.268 3.692 3.960 0.000 0.000 0.240 86 G HA3 -0.268 3.692 3.960 0.000 0.000 0.240 86 G C -0.085 174.828 174.900 0.022 0.000 1.346 86 G CA 0.052 45.163 45.100 0.018 0.000 0.887 86 G HN 0.688 nan 8.290 nan 0.000 0.569 87 S N -1.117 114.597 115.700 0.024 0.000 4.400 87 S HA 0.881 5.351 4.470 0.000 0.000 0.209 87 S C 0.271 174.889 174.600 0.031 0.000 1.056 87 S CA 0.023 58.240 58.200 0.028 0.000 1.814 87 S CB 0.830 64.047 63.200 0.027 0.000 0.808 87 S HN 0.984 nan 8.310 nan 0.000 0.749 88 M N 1.297 120.916 119.600 0.031 0.000 2.578 88 M HA 0.482 4.962 4.480 0.000 0.000 0.276 88 M C -3.119 173.198 176.300 0.028 0.000 1.245 88 M CA -1.644 53.675 55.300 0.031 0.000 0.871 88 M CB 2.607 35.228 32.600 0.036 0.000 1.722 88 M HN 0.303 nan 8.290 nan 0.000 0.473 89 P HA 0.407 nan 4.420 nan 0.000 0.288 89 P C -2.740 174.575 177.300 0.025 0.000 1.267 89 P CA -1.621 61.493 63.100 0.023 0.000 0.815 89 P CB -0.265 31.447 31.700 0.019 0.000 0.989 90 P HA 0.028 nan 4.420 nan 0.000 0.265 90 P C 0.368 177.686 177.300 0.029 0.000 1.222 90 P CA 0.923 64.040 63.100 0.028 0.000 0.767 90 P CB 0.113 31.828 31.700 0.026 0.000 0.801 91 E N 1.778 121.997 120.200 0.032 0.000 5.150 91 E HA -0.219 4.131 4.350 0.000 0.000 0.167 91 E C 0.922 177.543 176.600 0.035 0.000 1.196 91 E CA 1.364 57.785 56.400 0.035 0.000 2.189 91 E CB -1.766 27.953 29.700 0.032 0.000 1.820 91 E HN 0.355 nan 8.360 nan 0.000 0.420 92 L N 0.667 121.909 121.223 0.031 0.000 2.627 92 L HA 0.246 4.586 4.340 0.000 0.000 0.232 92 L C 0.291 177.182 176.870 0.035 0.000 1.150 92 L CA 0.439 55.298 54.840 0.032 0.000 0.917 92 L CB 0.146 42.221 42.059 0.027 0.000 1.104 92 L HN 0.075 nan 8.230 nan 0.000 0.445 93 V N -0.498 119.438 119.914 0.037 0.000 2.577 93 V HA 0.293 4.413 4.120 0.000 0.000 0.303 93 V C -0.329 175.791 176.094 0.044 0.000 1.042 93 V CA -0.789 61.535 62.300 0.040 0.000 0.872 93 V CB 2.005 33.852 31.823 0.040 0.000 0.998 93 V HN 0.127 nan 8.190 nan 0.000 0.423 94 C N 9.163 128.491 119.300 0.047 0.000 2.555 94 C HA 0.378 4.839 4.460 0.000 0.000 0.385 94 C C -2.116 172.912 174.990 0.063 0.000 1.296 94 C CA -0.644 58.405 59.018 0.052 0.000 1.757 94 C CB -0.035 27.731 27.740 0.043 0.000 2.445 94 C HN 0.747 nan 8.230 nan 0.000 0.571 95 P HA 0.205 nan 4.420 nan 0.000 0.271 95 P C -2.038 175.326 177.300 0.107 0.000 1.216 95 P CA -0.454 62.692 63.100 0.077 0.000 0.771 95 P CB 0.297 32.038 31.700 0.069 0.000 0.864 96 P HA 0.243 nan 4.420 nan 0.000 0.317 96 P C -1.381 176.037 177.300 0.198 0.000 1.307 96 P CA -0.363 62.857 63.100 0.199 0.000 0.749 96 P CB 0.984 32.788 31.700 0.172 0.000 1.377 97 Y N -0.805 119.506 120.300 0.019 0.000 2.544 97 Y HA 0.542 5.093 4.550 0.000 0.000 0.347 97 Y C -0.709 175.190 175.900 -0.002 0.000 1.089 97 Y CA -0.639 57.470 58.100 0.015 0.000 1.230 97 Y CB 0.168 38.644 38.460 0.025 0.000 1.101 97 Y HN 0.415 nan 8.280 nan 0.000 0.641 98 A N 4.653 127.363 122.820 -0.183 0.000 2.855 98 A HA 0.460 4.780 4.320 0.000 0.000 0.301 98 A C -2.819 174.650 177.584 -0.193 0.000 1.076 98 A CA -1.429 50.505 52.037 -0.172 0.000 1.004 98 A CB -0.383 18.591 19.000 -0.043 0.000 1.152 98 A HN 0.416 nan 8.150 nan 0.000 0.531 99 P HA 0.207 nan 4.420 nan 0.000 0.262 99 P C 1.232 178.453 177.300 -0.132 0.000 1.182 99 P CA 2.206 65.189 63.100 -0.195 0.000 0.761 99 P CB 0.593 32.133 31.700 -0.267 0.000 0.795 100 G N 1.510 110.269 108.800 -0.069 0.000 2.196 100 G HA2 -0.292 3.668 3.960 0.000 0.000 0.268 100 G HA3 -0.292 3.668 3.960 0.000 0.000 0.268 100 G C 0.279 175.153 174.900 -0.043 0.000 0.975 100 G CA 0.189 45.261 45.100 -0.047 0.000 0.648 100 G HN 0.531 nan 8.290 nan 0.000 0.538 101 E N -0.043 120.128 120.200 -0.050 0.000 2.313 101 E HA 0.698 5.049 4.350 0.000 0.000 0.272 101 E C 0.528 177.115 176.600 -0.023 0.000 1.038 101 E CA 0.284 56.659 56.400 -0.042 0.000 0.863 101 E CB 0.949 30.617 29.700 -0.054 0.000 1.060 101 E HN 0.105 nan 8.360 nan 0.000 0.402 102 T N 4.101 118.643 114.554 -0.020 0.000 4.130 102 T HA 0.044 4.394 4.350 0.000 0.000 0.262 102 T C -1.246 173.447 174.700 -0.011 0.000 0.951 102 T CA -0.708 61.385 62.100 -0.012 0.000 1.180 102 T CB 0.022 68.882 68.868 -0.013 0.000 1.009 102 T HN 0.555 nan 8.240 nan 0.000 0.536 103 K N 2.111 122.505 120.400 -0.010 0.000 3.777 103 K HA -0.287 4.034 4.320 0.000 0.000 0.276 103 K C -0.025 176.567 176.600 -0.014 0.000 0.877 103 K CA 1.989 58.270 56.287 -0.009 0.000 0.724 103 K CB -2.329 30.169 32.500 -0.004 0.000 1.589 103 K HN 0.801 nan 8.250 nan 0.000 0.444 104 E N -0.975 119.213 120.200 -0.020 0.000 2.209 104 E HA -0.038 4.312 4.350 0.000 0.000 0.192 104 E C -0.821 175.758 176.600 -0.035 0.000 0.979 104 E CA 0.146 56.530 56.400 -0.027 0.000 1.419 104 E CB -0.381 29.303 29.700 -0.028 0.000 3.128 104 E HN 0.273 nan 8.360 nan 0.000 0.975 105 D N 3.585 123.965 120.400 -0.033 0.000 2.738 105 D HA 0.026 4.666 4.640 0.000 0.000 0.226 105 D C 1.244 177.526 176.300 -0.029 0.000 1.070 105 D CA 0.688 54.667 54.000 -0.034 0.000 1.153 105 D CB -0.287 40.494 40.800 -0.032 0.000 1.141 105 D HN 0.593 nan 8.370 nan 0.000 0.459 106 I N -4.624 115.926 120.570 -0.033 0.000 4.955 106 I HA 0.032 4.202 4.170 0.000 0.000 0.304 106 I C 1.657 177.754 176.117 -0.034 0.000 1.074 106 I CA 0.150 61.433 61.300 -0.029 0.000 1.521 106 I CB -1.049 36.938 38.000 -0.021 0.000 2.041 106 I HN 0.114 nan 8.210 nan 0.000 0.595 107 A N 1.992 124.790 122.820 -0.036 0.000 1.892 107 A HA -0.214 4.106 4.320 0.000 0.000 0.218 107 A C 2.363 179.912 177.584 -0.059 0.000 1.188 107 A CA 2.942 54.953 52.037 -0.045 0.000 0.631 107 A CB -0.664 18.308 19.000 -0.047 0.000 0.822 107 A HN 0.504 nan 8.150 nan 0.000 0.447 108 R N -0.563 119.899 120.500 -0.063 0.000 2.096 108 R HA -0.106 4.234 4.340 0.000 0.000 0.229 108 R C 2.262 178.524 176.300 -0.063 0.000 1.134 108 R CA 1.991 58.047 56.100 -0.073 0.000 0.917 108 R CB -0.544 29.715 30.300 -0.068 0.000 0.832 108 R HN 0.450 nan 8.270 nan 0.000 0.430 109 K N 0.586 120.958 120.400 -0.048 0.000 2.059 109 K HA -0.185 4.135 4.320 0.000 0.000 0.212 109 K C 1.712 178.286 176.600 -0.042 0.000 1.050 109 K CA 2.006 58.269 56.287 -0.040 0.000 0.927 109 K CB -0.090 32.393 32.500 -0.028 0.000 0.714 109 K HN 0.212 nan 8.250 nan 0.000 0.447 110 E N -0.448 119.727 120.200 -0.040 0.000 2.474 110 E HA -0.066 4.284 4.350 0.000 0.000 0.195 110 E C 1.390 177.965 176.600 -0.042 0.000 1.039 110 E CA 0.258 56.637 56.400 -0.034 0.000 0.881 110 E CB 0.319 30.004 29.700 -0.026 0.000 0.970 110 E HN 0.372 nan 8.360 nan 0.000 0.486 111 Q N -0.191 119.575 119.800 -0.057 0.000 2.165 111 Q HA 0.028 4.368 4.340 0.000 0.000 0.197 111 Q C 2.010 177.960 176.000 -0.083 0.000 0.952 111 Q CA 0.717 56.478 55.803 -0.071 0.000 0.848 111 Q CB 0.134 28.814 28.738 -0.096 0.000 0.931 111 Q HN 0.218 nan 8.270 nan 0.000 0.470 112 L N 1.262 122.431 121.223 -0.090 0.000 2.189 112 L HA -0.161 4.179 4.340 0.000 0.000 0.214 112 L C 1.354 178.181 176.870 -0.071 0.000 1.097 112 L CA 1.199 55.981 54.840 -0.098 0.000 0.764 112 L CB -0.862 41.143 42.059 -0.089 0.000 0.900 112 L HN 0.049 nan 8.230 nan 0.000 0.436 113 K N 2.190 122.560 120.400 -0.050 0.000 3.280 113 K HA -0.173 4.147 4.320 0.000 0.000 0.206 113 K C 0.784 177.371 176.600 -0.022 0.000 0.599 113 K CA 0.623 56.892 56.287 -0.031 0.000 1.020 113 K CB -0.745 31.739 32.500 -0.027 0.000 0.821 113 K HN 0.526 nan 8.250 nan 0.000 0.331 114 S N 0.355 116.042 115.700 -0.021 0.000 3.237 114 S HA -0.186 4.284 4.470 0.000 0.000 0.280 114 S C 0.609 175.209 174.600 -0.000 0.000 0.625 114 S CA 0.936 59.130 58.200 -0.009 0.000 1.313 114 S CB -0.738 62.471 63.200 0.015 0.000 0.748 114 S HN 0.588 nan 8.310 nan 0.000 0.357 115 L N 0.029 121.239 121.223 -0.021 0.000 2.616 115 L HA 0.523 4.863 4.340 0.000 0.000 0.229 115 L C 0.821 177.688 176.870 -0.005 0.000 1.110 115 L CA 0.156 54.989 54.840 -0.013 0.000 0.884 115 L CB 0.109 42.153 42.059 -0.024 0.000 1.115 115 L HN 0.610 nan 8.230 nan 0.000 0.481 116 L N 1.603 122.815 121.223 -0.018 0.000 2.456 116 L HA 0.166 4.507 4.340 0.000 0.000 0.272 116 L C -1.759 175.164 176.870 0.087 0.000 1.189 116 L CA -1.608 53.234 54.840 0.004 0.000 0.846 116 L CB 0.141 42.141 42.059 -0.098 0.000 1.111 116 L HN 0.006 nan 8.230 nan 0.000 0.475 117 P HA 0.086 nan 4.420 nan 0.000 0.270 117 P C -2.445 174.973 177.300 0.197 0.000 1.223 117 P CA -0.941 62.241 63.100 0.136 0.000 0.785 117 P CB -0.191 31.585 31.700 0.127 0.000 0.923 118 P HA -0.059 nan 4.420 nan 0.000 0.262 118 P C 0.895 178.190 177.300 -0.008 0.000 1.182 118 P CA 0.077 63.221 63.100 0.074 0.000 0.761 118 P CB 0.335 32.053 31.700 0.029 0.000 0.795 119 L N 3.897 125.068 121.223 -0.086 0.000 2.129 119 L HA -0.202 4.138 4.340 0.000 0.000 0.212 119 L C 1.379 178.144 176.870 -0.175 0.000 1.087 119 L CA 1.949 56.599 54.840 -0.316 0.000 0.757 119 L CB -0.866 40.995 42.059 -0.330 0.000 0.896 119 L HN 0.355 nan 8.230 nan 0.000 0.434 120 D N -1.225 119.123 120.400 -0.086 0.000 2.363 120 D HA -0.096 4.544 4.640 0.000 0.000 0.226 120 D C 0.869 177.132 176.300 -0.063 0.000 1.020 120 D CA 0.283 54.245 54.000 -0.063 0.000 0.892 120 D CB -0.187 40.593 40.800 -0.033 0.000 0.900 120 D HN 0.427 nan 8.370 nan 0.000 0.531 121 N N 0.291 118.949 118.700 -0.071 0.000 2.412 121 N HA 0.026 4.767 4.740 0.000 0.000 0.184 121 N C 0.327 175.780 175.510 -0.095 0.000 1.101 121 N CA 0.057 53.071 53.050 -0.059 0.000 0.881 121 N CB 0.473 38.946 38.487 -0.022 0.000 0.969 121 N HN 0.121 nan 8.380 nan 0.000 0.459 122 I N 0.869 121.341 120.570 -0.163 0.000 2.519 122 I HA 0.103 4.273 4.170 0.000 0.000 0.287 122 I C 1.465 177.459 176.117 -0.205 0.000 1.047 122 I CA 0.053 61.196 61.300 -0.262 0.000 1.381 122 I CB 0.890 38.608 38.000 -0.470 0.000 1.417 122 I HN -0.012 nan 8.210 nan 0.000 0.540 123 I N 4.146 124.603 120.570 -0.187 0.000 4.338 123 I HA 0.077 4.247 4.170 0.000 0.000 0.315 123 I C 0.624 176.671 176.117 -0.118 0.000 1.262 123 I CA 0.128 61.355 61.300 -0.121 0.000 1.298 123 I CB 0.303 38.258 38.000 -0.075 0.000 1.257 123 I HN 0.631 nan 8.210 nan 0.000 0.444 124 N N -0.049 118.568 118.700 -0.138 0.000 2.761 124 N HA 0.235 4.975 4.740 0.000 0.000 0.283 124 N C 0.270 175.646 175.510 -0.224 0.000 1.377 124 N CA -0.744 52.220 53.050 -0.144 0.000 0.791 124 N CB 1.960 40.409 38.487 -0.064 0.000 1.540 124 N HN -0.261 nan 8.380 nan 0.000 0.539 125 L N 0.343 121.439 121.223 -0.211 0.000 2.043 125 L HA -0.165 4.175 4.340 0.000 0.000 0.212 125 L C 2.161 178.951 176.870 -0.133 0.000 1.075 125 L CA 1.704 56.450 54.840 -0.157 0.000 0.752 125 L CB -1.611 40.239 42.059 -0.349 0.000 0.891 125 L HN 0.578 nan 8.230 nan 0.000 0.432 126 Y N -0.218 120.074 120.300 -0.014 0.000 2.298 126 Y HA -0.270 4.280 4.550 0.000 0.000 0.287 126 Y C 2.363 178.261 175.900 -0.004 0.000 1.164 126 Y CA 1.193 59.293 58.100 -0.001 0.000 1.229 126 Y CB -0.599 37.845 38.460 -0.026 0.000 0.977 126 Y HN 0.378 nan 8.280 nan 0.000 0.538 127 D N -0.489 119.924 120.400 0.023 0.000 2.194 127 D HA -0.110 4.530 4.640 0.000 0.000 0.204 127 D C 1.673 178.002 176.300 0.049 0.000 0.964 127 D CA 0.929 54.943 54.000 0.023 0.000 0.846 127 D CB -0.339 40.407 40.800 -0.091 0.000 0.962 127 D HN 0.341 nan 8.370 nan 0.000 0.490 128 F N 1.964 121.989 119.950 0.125 0.000 2.126 128 F HA -0.138 4.389 4.527 0.000 0.000 0.299 128 F C 2.576 178.429 175.800 0.089 0.000 1.096 128 F CA 1.004 59.091 58.000 0.145 0.000 1.255 128 F CB -0.560 38.533 39.000 0.156 0.000 0.997 128 F HN -0.030 nan 8.300 nan 0.000 0.479 129 E N -0.470 119.888 120.200 0.264 0.000 2.047 129 E HA -0.290 4.060 4.350 0.000 0.000 0.191 129 E C 2.294 178.863 176.600 -0.053 0.000 0.987 129 E CA 1.285 57.659 56.400 -0.044 0.000 0.799 129 E CB -0.679 29.052 29.700 0.052 0.000 0.752 129 E HN 0.551 nan 8.360 nan 0.000 0.449 130 Y N 0.700 120.965 120.300 -0.058 0.000 2.165 130 Y HA -0.262 4.289 4.550 0.000 0.000 0.286 130 Y C 1.947 177.759 175.900 -0.146 0.000 1.155 130 Y CA 1.201 59.229 58.100 -0.120 0.000 1.164 130 Y CB -0.028 38.391 38.460 -0.068 0.000 0.978 130 Y HN 0.115 nan 8.280 nan 0.000 0.513 131 L N 0.552 121.605 121.223 -0.283 0.000 1.989 131 L HA -0.252 4.088 4.340 0.000 0.000 0.211 131 L C 2.873 179.539 176.870 -0.339 0.000 1.071 131 L CA 2.025 56.635 54.840 -0.384 0.000 0.749 131 L CB -2.216 39.806 42.059 -0.063 0.000 0.890 131 L HN 0.459 nan 8.230 nan 0.000 0.431 132 A N 0.054 122.785 122.820 -0.148 0.000 1.927 132 A HA -0.267 4.053 4.320 0.000 0.000 0.220 132 A C 2.361 179.761 177.584 -0.306 0.000 1.185 132 A CA 2.413 54.415 52.037 -0.059 0.000 0.639 132 A CB -0.901 18.175 19.000 0.127 0.000 0.820 132 A HN 0.587 nan 8.150 nan 0.000 0.451 133 S N -1.415 113.879 115.700 -0.677 0.000 2.660 133 S HA 0.008 4.478 4.470 0.000 0.000 0.228 133 S C 1.162 175.255 174.600 -0.846 0.000 0.966 133 S CA 0.867 58.278 58.200 -1.316 0.000 0.940 133 S CB -0.090 62.281 63.200 -1.381 0.000 0.773 133 S HN 0.631 nan 8.310 nan 0.000 0.535 134 Q N 0.305 119.753 119.800 -0.586 0.000 2.164 134 Q HA 0.141 4.481 4.340 0.000 0.000 0.226 134 Q C 1.406 177.223 176.000 -0.305 0.000 0.813 134 Q CA 0.961 56.488 55.803 -0.460 0.000 0.978 134 Q CB 1.068 29.509 28.738 -0.497 0.000 1.149 134 Q HN 0.820 nan 8.270 nan 0.000 0.489 135 T N -3.319 111.075 114.554 -0.266 0.000 3.028 135 T HA 0.269 4.619 4.350 0.000 0.000 0.250 135 T C 0.900 175.539 174.700 -0.101 0.000 0.979 135 T CA -0.215 61.785 62.100 -0.166 0.000 1.004 135 T CB 0.022 68.795 68.868 -0.158 0.000 1.120 135 T HN -0.041 nan 8.240 nan 0.000 0.482 136 L N 3.277 124.458 121.223 -0.069 0.000 2.461 136 L HA 0.269 4.610 4.340 0.000 0.000 0.272 136 L C 0.306 177.173 176.870 -0.004 0.000 1.197 136 L CA -0.357 54.495 54.840 0.020 0.000 0.836 136 L CB 0.050 42.212 42.059 0.171 0.000 1.105 136 L HN 0.250 nan 8.230 nan 0.000 0.477 137 T N 2.863 117.412 114.554 -0.008 0.000 2.709 137 T HA -0.087 4.263 4.350 0.000 0.000 0.269 137 T C 1.348 176.045 174.700 -0.004 0.000 1.008 137 T CA 0.080 62.160 62.100 -0.033 0.000 1.194 137 T CB 0.094 68.921 68.868 -0.069 0.000 0.986 137 T HN 0.553 nan 8.240 nan 0.000 0.508 138 K N 2.625 123.016 120.400 -0.016 0.000 2.184 138 K HA -0.353 3.967 4.320 0.000 0.000 0.210 138 K C 2.435 179.038 176.600 0.006 0.000 1.048 138 K CA 2.456 58.752 56.287 0.015 0.000 0.931 138 K CB -0.083 32.400 32.500 -0.028 0.000 0.718 138 K HN 0.880 nan 8.250 nan 0.000 0.465 139 Q N -0.356 119.394 119.800 -0.084 0.000 2.089 139 Q HA 0.045 4.385 4.340 0.000 0.000 0.195 139 Q C 2.084 178.000 176.000 -0.140 0.000 0.963 139 Q CA 1.036 56.764 55.803 -0.126 0.000 0.834 139 Q CB -0.283 28.319 28.738 -0.227 0.000 0.906 139 Q HN 0.173 nan 8.270 nan 0.000 0.452 140 A N 1.467 124.184 122.820 -0.171 0.000 1.917 140 A HA -0.209 4.111 4.320 0.000 0.000 0.219 140 A C 1.924 179.349 177.584 -0.265 0.000 1.182 140 A CA 1.463 53.300 52.037 -0.333 0.000 0.633 140 A CB -1.631 17.257 19.000 -0.188 0.000 0.819 140 A HN 0.803 nan 8.150 nan 0.000 0.448 141 W N 0.586 121.789 121.300 -0.162 0.000 2.402 141 W HA -0.109 4.551 4.660 0.000 0.000 0.286 141 W C 2.246 178.761 176.519 -0.007 0.000 1.221 141 W CA 1.773 59.100 57.345 -0.031 0.000 1.257 141 W CB -0.256 29.190 29.460 -0.024 0.000 1.120 141 W HN 0.441 nan 8.180 nan 0.000 0.551 142 A N -0.195 122.583 122.820 -0.071 0.000 1.873 142 A HA -0.269 4.051 4.320 0.000 0.000 0.215 142 A C 1.851 179.311 177.584 -0.207 0.000 1.186 142 A CA 1.710 53.668 52.037 -0.132 0.000 0.616 142 A CB -1.615 17.359 19.000 -0.043 0.000 0.823 142 A HN 0.508 nan 8.150 nan 0.000 0.442 143 Y N -1.576 118.549 120.300 -0.292 0.000 2.286 143 Y HA -0.123 4.427 4.550 0.000 0.000 0.293 143 Y C 2.120 177.945 175.900 -0.125 0.000 1.124 143 Y CA 1.504 59.468 58.100 -0.226 0.000 1.178 143 Y CB -0.208 38.103 38.460 -0.249 0.000 1.010 143 Y HN 0.404 nan 8.280 nan 0.000 0.536 144 Y N -0.968 119.205 120.300 -0.212 0.000 2.286 144 Y HA -0.174 4.376 4.550 0.000 0.000 0.293 144 Y C 2.680 178.330 175.900 -0.417 0.000 1.124 144 Y CA 0.584 58.500 58.100 -0.308 0.000 1.178 144 Y CB -0.048 38.346 38.460 -0.110 0.000 1.010 144 Y HN 0.267 nan 8.280 nan 0.000 0.536 145 S N -0.281 115.171 115.700 -0.414 0.000 2.548 145 S HA 0.024 4.494 4.470 0.000 0.000 0.215 145 S C 0.566 174.905 174.600 -0.434 0.000 0.976 145 S CA 0.008 57.856 58.200 -0.587 0.000 0.908 145 S CB -0.307 61.841 63.200 -1.752 0.000 0.781 145 S HN 0.234 nan 8.310 nan 0.000 0.519 146 S N -0.563 114.894 115.700 -0.405 0.000 2.739 146 S HA 0.921 5.391 4.470 0.000 0.000 0.306 146 S C 0.164 174.519 174.600 -0.409 0.000 1.115 146 S CA -0.436 57.553 58.200 -0.351 0.000 0.985 146 S CB 1.266 64.310 63.200 -0.260 0.000 1.133 146 S HN 0.593 nan 8.310 nan 0.000 0.541 147 G N -0.885 107.703 108.800 -0.354 0.000 2.788 147 G HA2 0.687 4.647 3.960 0.000 0.000 0.293 147 G HA3 0.687 4.647 3.960 0.000 0.000 0.293 147 G C -1.021 173.768 174.900 -0.186 0.000 1.392 147 G CA -0.630 44.268 45.100 -0.338 0.000 0.810 147 G HN 1.092 nan 8.290 nan 0.000 0.508 148 A N -0.048 122.689 122.820 -0.138 0.000 2.450 148 A HA 0.582 4.902 4.320 0.000 0.000 0.255 148 A C 0.902 178.452 177.584 -0.057 0.000 1.096 148 A CA 0.903 52.891 52.037 -0.081 0.000 0.778 148 A CB -0.741 18.226 19.000 -0.055 0.000 1.031 148 A HN 1.319 nan 8.150 nan 0.000 0.494 149 N N 0.934 119.615 118.700 -0.033 0.000 1.245 149 N HA -0.192 4.548 4.740 0.000 0.000 0.143 149 N C -0.054 175.454 175.510 -0.003 0.000 0.849 149 N CA 1.332 54.381 53.050 -0.002 0.000 0.956 149 N CB -0.793 37.708 38.487 0.023 0.000 1.198 149 N HN 0.746 nan 8.380 nan 0.000 0.541 150 D N 1.981 122.384 120.400 0.006 0.000 2.336 150 D HA 0.040 4.680 4.640 0.000 0.000 0.229 150 D C -0.291 175.993 176.300 -0.026 0.000 1.061 150 D CA 0.538 54.542 54.000 0.007 0.000 0.875 150 D CB -0.241 40.586 40.800 0.045 0.000 0.904 150 D HN 0.410 nan 8.370 nan 0.000 0.525 151 E N -0.522 119.652 120.200 -0.043 0.000 2.586 151 E HA -0.208 4.142 4.350 0.000 0.000 0.259 151 E C 1.218 177.799 176.600 -0.032 0.000 1.107 151 E CA 0.128 56.519 56.400 -0.015 0.000 0.754 151 E CB -1.278 28.446 29.700 0.040 0.000 1.335 151 E HN 0.266 nan 8.360 nan 0.000 0.411 152 V N -2.677 117.140 119.914 -0.162 0.000 2.599 152 V HA -0.068 4.052 4.120 0.000 0.000 0.245 152 V C 1.877 177.833 176.094 -0.229 0.000 1.046 152 V CA 2.024 64.175 62.300 -0.248 0.000 1.065 152 V CB 0.301 31.885 31.823 -0.399 0.000 0.703 152 V HN 0.274 nan 8.190 nan 0.000 0.464 153 T N 0.269 114.687 114.554 -0.228 0.000 2.962 153 T HA -0.136 4.214 4.350 0.000 0.000 0.270 153 T C 1.568 176.265 174.700 -0.005 0.000 1.088 153 T CA 2.132 64.153 62.100 -0.131 0.000 1.127 153 T CB -0.413 68.396 68.868 -0.098 0.000 0.883 153 T HN 0.957 nan 8.240 nan 0.000 0.493 154 H N 1.088 120.099 119.070 -0.097 0.000 2.317 154 H HA 0.102 4.658 4.556 0.000 0.000 0.304 154 H C 2.381 177.696 175.328 -0.022 0.000 1.067 154 H CA 1.348 57.365 56.048 -0.051 0.000 1.352 154 H CB -0.020 29.707 29.762 -0.058 0.000 1.398 154 H HN 0.116 nan 8.280 nan 0.000 0.510 155 R N 0.095 120.514 120.500 -0.136 0.000 2.105 155 R HA -0.139 4.201 4.340 0.000 0.000 0.239 155 R C 2.423 178.669 176.300 -0.090 0.000 1.135 155 R CA 1.609 57.609 56.100 -0.167 0.000 0.967 155 R CB -0.202 30.031 30.300 -0.112 0.000 0.861 155 R HN 0.583 nan 8.270 nan 0.000 0.442 156 E N 1.079 121.229 120.200 -0.083 0.000 2.077 156 E HA -0.197 4.153 4.350 0.000 0.000 0.193 156 E C 1.232 177.780 176.600 -0.085 0.000 0.989 156 E CA 1.813 58.159 56.400 -0.091 0.000 0.800 156 E CB -0.203 29.441 29.700 -0.094 0.000 0.746 156 E HN 0.367 nan 8.360 nan 0.000 0.452 157 N N -0.964 117.708 118.700 -0.046 0.000 2.139 157 N HA -0.329 4.411 4.740 0.000 0.000 0.199 157 N C 1.707 177.229 175.510 0.020 0.000 1.003 157 N CA 1.817 54.855 53.050 -0.021 0.000 0.892 157 N CB -0.336 38.183 38.487 0.053 0.000 1.039 157 N HN 0.386 nan 8.380 nan 0.000 0.461 158 H N 0.256 119.304 119.070 -0.038 0.000 2.320 158 H HA 0.159 4.715 4.556 0.000 0.000 0.309 158 H C 1.456 176.743 175.328 -0.068 0.000 1.057 158 H CA 1.586 57.662 56.048 0.046 0.000 1.374 158 H CB -0.303 29.464 29.762 0.008 0.000 1.421 158 H HN 0.215 nan 8.280 nan 0.000 0.532 159 N N 0.618 119.068 118.700 -0.417 0.000 2.132 159 N HA -0.258 4.482 4.740 0.000 0.000 0.191 159 N C 2.018 177.295 175.510 -0.389 0.000 1.015 159 N CA 1.075 53.790 53.050 -0.558 0.000 0.864 159 N CB -0.230 38.066 38.487 -0.318 0.000 1.006 159 N HN 0.494 nan 8.380 nan 0.000 0.430 160 A N 0.870 123.528 122.820 -0.270 0.000 1.948 160 A HA -0.219 4.101 4.320 0.000 0.000 0.220 160 A C 1.634 179.091 177.584 -0.212 0.000 1.177 160 A CA 1.317 53.208 52.037 -0.243 0.000 0.636 160 A CB -1.043 17.788 19.000 -0.281 0.000 0.815 160 A HN 0.343 nan 8.150 nan 0.000 0.449 161 Y N 0.198 120.444 120.300 -0.090 0.000 2.173 161 Y HA -0.288 4.263 4.550 0.000 0.000 0.282 161 Y C 2.258 178.193 175.900 0.058 0.000 1.192 161 Y CA 1.934 60.026 58.100 -0.014 0.000 1.176 161 Y CB -0.797 37.675 38.460 0.019 0.000 0.969 161 Y HN 0.525 nan 8.280 nan 0.000 0.519 162 H N -0.171 118.849 119.070 -0.084 0.000 2.568 162 H HA 0.050 4.606 4.556 0.000 0.000 0.275 162 H C 1.163 176.475 175.328 -0.028 0.000 1.028 162 H CA 0.464 56.442 56.048 -0.117 0.000 1.173 162 H CB -0.377 29.324 29.762 -0.101 0.000 1.335 162 H HN 0.398 nan 8.280 nan 0.000 0.614 163 R N 0.002 120.564 120.500 0.104 0.000 2.472 163 R HA 0.319 4.659 4.340 0.000 0.000 0.279 163 R C -0.205 176.178 176.300 0.138 0.000 0.953 163 R CA -0.031 56.153 56.100 0.142 0.000 1.088 163 R CB 1.035 31.372 30.300 0.062 0.000 1.197 163 R HN 0.131 nan 8.270 nan 0.000 0.536 164 I N 0.782 121.372 120.570 0.032 0.000 2.412 164 I HA 0.334 4.504 4.170 0.000 0.000 0.296 164 I C -0.443 175.495 176.117 -0.297 0.000 0.987 164 I CA -0.768 60.513 61.300 -0.033 0.000 1.180 164 I CB 1.135 39.085 38.000 -0.083 0.000 1.340 164 I HN -0.196 nan 8.210 nan 0.000 0.455 165 F N 4.123 123.934 119.950 -0.230 0.000 2.572 165 F HA 0.595 5.122 4.527 0.000 0.000 0.342 165 F C -0.207 175.421 175.800 -0.287 0.000 1.064 165 F CA -0.459 57.380 58.000 -0.268 0.000 1.008 165 F CB 1.253 40.192 39.000 -0.103 0.000 1.303 165 F HN 0.109 nan 8.300 nan 0.000 0.492 166 F N 0.162 120.219 119.950 0.177 0.000 2.541 166 F HA 0.535 5.062 4.527 0.000 0.000 0.331 166 F C -0.402 175.461 175.800 0.105 0.000 1.057 166 F CA -1.334 56.724 58.000 0.096 0.000 0.975 166 F CB 1.618 40.645 39.000 0.044 0.000 1.246 166 F HN 0.142 nan 8.300 nan 0.000 0.484 167 K N 2.632 123.225 120.400 0.321 0.000 2.753 167 K HA 0.291 4.611 4.320 0.000 0.000 0.185 167 K C -2.764 173.906 176.600 0.116 0.000 1.071 167 K CA -1.535 54.858 56.287 0.177 0.000 0.999 167 K CB 0.749 33.325 32.500 0.128 0.000 1.244 167 K HN 0.187 nan 8.250 nan 0.000 0.594 168 P HA 0.116 nan 4.420 nan 0.000 0.280 168 P C -0.722 176.586 177.300 0.014 0.000 1.244 168 P CA -0.489 62.620 63.100 0.014 0.000 0.784 168 P CB 0.916 32.600 31.700 -0.026 0.000 0.913 169 K N 2.491 122.890 120.400 -0.001 0.000 2.472 169 K HA 0.157 4.477 4.320 0.000 0.000 0.280 169 K C 0.279 176.873 176.600 -0.010 0.000 1.028 169 K CA 0.277 56.562 56.287 -0.003 0.000 1.045 169 K CB 0.022 32.518 32.500 -0.006 0.000 0.902 169 K HN 0.384 nan 8.250 nan 0.000 0.478 170 I N 3.989 124.557 120.570 -0.002 0.000 2.693 170 I HA 0.227 4.397 4.170 0.000 0.000 0.303 170 I C 0.298 176.414 176.117 -0.002 0.000 1.025 170 I CA -1.002 60.297 61.300 -0.003 0.000 1.086 170 I CB 1.371 39.372 38.000 0.002 0.000 1.268 170 I HN 0.630 nan 8.210 nan 0.000 0.440 171 L N 4.098 125.319 121.223 -0.003 0.000 3.601 171 L HA -0.168 4.172 4.340 0.000 0.000 0.469 171 L C -0.931 175.938 176.870 -0.002 0.000 1.294 171 L CA -0.022 54.817 54.840 -0.002 0.000 0.829 171 L CB -1.659 40.400 42.059 0.000 0.000 1.628 171 L HN 0.229 nan 8.230 nan 0.000 0.868 172 V N -0.807 119.104 119.914 -0.005 0.000 2.735 172 V HA 0.395 4.515 4.120 0.000 0.000 0.310 172 V C 0.147 176.238 176.094 -0.005 0.000 1.061 172 V CA -0.592 61.705 62.300 -0.005 0.000 0.913 172 V CB 2.403 34.222 31.823 -0.006 0.000 1.005 172 V HN 0.288 nan 8.190 nan 0.000 0.428 173 D N 3.127 123.525 120.400 -0.003 0.000 2.277 173 D HA 0.275 4.916 4.640 0.000 0.000 0.249 173 D C 0.056 176.354 176.300 -0.004 0.000 1.134 173 D CA -0.071 53.927 54.000 -0.003 0.000 0.863 173 D CB 1.934 42.733 40.800 -0.001 0.000 1.143 173 D HN 0.479 nan 8.370 nan 0.000 0.458 174 V N 2.455 122.365 119.914 -0.006 0.000 2.771 174 V HA 0.334 4.454 4.120 0.000 0.000 0.355 174 V C 1.532 177.623 176.094 -0.005 0.000 1.289 174 V CA -0.734 61.562 62.300 -0.007 0.000 1.231 174 V CB 0.332 32.147 31.823 -0.013 0.000 1.396 174 V HN 0.496 nan 8.190 nan 0.000 0.628 175 R N 0.719 121.218 120.500 -0.002 0.000 2.062 175 R HA 0.136 4.476 4.340 0.000 0.000 0.229 175 R C 0.556 176.856 176.300 -0.000 0.000 1.128 175 R CA 0.865 56.964 56.100 -0.002 0.000 0.960 175 R CB 0.274 30.574 30.300 -0.000 0.000 0.855 175 R HN 0.347 nan 8.270 nan 0.000 0.432 176 K N 1.035 121.436 120.400 0.002 0.000 2.182 176 K HA 0.269 4.589 4.320 0.000 0.000 0.262 176 K C -0.740 175.863 176.600 0.004 0.000 0.957 176 K CA -0.532 55.758 56.287 0.004 0.000 0.842 176 K CB 1.967 34.471 32.500 0.006 0.000 1.099 176 K HN 0.050 nan 8.250 nan 0.000 0.438 177 V N -1.371 118.547 119.914 0.006 0.000 3.040 177 V HA 0.615 4.735 4.120 0.000 0.000 0.312 177 V C -1.096 175.006 176.094 0.014 0.000 1.115 177 V CA -1.003 61.302 62.300 0.008 0.000 0.998 177 V CB 2.324 34.149 31.823 0.003 0.000 1.042 177 V HN 0.677 nan 8.190 nan 0.000 0.433 178 D N 1.756 122.166 120.400 0.017 0.000 2.473 178 D HA 0.461 5.101 4.640 0.000 0.000 0.253 178 D C 0.517 176.830 176.300 0.021 0.000 1.233 178 D CA -0.331 53.682 54.000 0.022 0.000 0.908 178 D CB 1.447 42.265 40.800 0.029 0.000 1.170 178 D HN 0.822 nan 8.370 nan 0.000 0.558 179 I N 1.164 121.746 120.570 0.020 0.000 3.810 179 I HA 0.252 4.422 4.170 0.000 0.000 0.322 179 I C 0.356 176.467 176.117 -0.010 0.000 1.288 179 I CA -0.411 60.901 61.300 0.019 0.000 1.143 179 I CB -0.218 37.805 38.000 0.038 0.000 1.012 179 I HN 0.177 nan 8.210 nan 0.000 0.423 180 S N 0.033 115.722 115.700 -0.018 0.000 2.713 180 S HA 0.768 5.238 4.470 0.000 0.000 0.277 180 S C 0.131 174.672 174.600 -0.099 0.000 1.168 180 S CA 0.062 58.210 58.200 -0.086 0.000 0.994 180 S CB 2.214 65.375 63.200 -0.065 0.000 1.054 180 S HN 0.411 nan 8.310 nan 0.000 0.555 181 T N -0.830 113.598 114.554 -0.210 0.000 2.661 181 T HA 0.472 4.822 4.350 0.000 0.000 0.305 181 T C -2.607 171.959 174.700 -0.223 0.000 1.535 181 T CA -0.146 61.876 62.100 -0.130 0.000 1.000 181 T CB 0.935 69.786 68.868 -0.028 0.000 1.811 181 T HN 1.037 nan 8.240 nan 0.000 0.471 182 D N 0.219 120.578 120.400 -0.069 0.000 2.570 182 D HA 0.587 5.227 4.640 0.000 0.000 0.244 182 D C -1.296 175.063 176.300 0.099 0.000 1.178 182 D CA -0.664 53.315 54.000 -0.034 0.000 0.881 182 D CB 1.322 42.124 40.800 0.003 0.000 1.453 182 D HN 0.690 nan 8.370 nan 0.000 0.447 183 M N 1.098 120.799 119.600 0.169 0.000 2.224 183 M HA 0.293 4.773 4.480 0.000 0.000 0.281 183 M C -0.821 175.667 176.300 0.314 0.000 1.025 183 M CA -0.959 54.537 55.300 0.326 0.000 0.954 183 M CB 2.239 35.125 32.600 0.476 0.000 1.639 183 M HN 0.523 nan 8.290 nan 0.000 0.461 184 L N 3.762 125.145 121.223 0.266 0.000 3.795 184 L HA -0.294 4.046 4.340 0.000 0.000 0.489 184 L C 0.691 177.663 176.870 0.170 0.000 1.259 184 L CA 1.923 56.877 54.840 0.189 0.000 0.765 184 L CB -1.029 41.132 42.059 0.170 0.000 1.519 184 L HN 1.182 nan 8.230 nan 0.000 0.842 185 G N -1.299 107.582 108.800 0.134 0.000 4.365 185 G HA2 -0.341 3.619 3.960 0.000 0.000 0.214 185 G HA3 -0.341 3.619 3.960 0.000 0.000 0.214 185 G C 0.441 175.419 174.900 0.129 0.000 1.450 185 G CA 0.235 45.403 45.100 0.114 0.000 0.937 185 G HN 1.024 nan 8.290 nan 0.000 0.625 186 S N 1.863 117.658 115.700 0.157 0.000 2.606 186 S HA 0.505 4.975 4.470 0.000 0.000 0.257 186 S C 0.057 174.748 174.600 0.151 0.000 1.327 186 S CA 0.178 58.462 58.200 0.140 0.000 0.984 186 S CB 1.027 64.296 63.200 0.114 0.000 0.941 186 S HN 0.849 nan 8.310 nan 0.000 0.576 187 H N -0.257 118.837 119.070 0.040 0.000 2.469 187 H HA 0.627 5.183 4.556 0.000 0.000 0.342 187 H C -1.512 173.818 175.328 0.004 0.000 1.115 187 H CA -0.572 55.494 56.048 0.029 0.000 1.204 187 H CB 0.944 30.714 29.762 0.013 0.000 1.492 187 H HN 0.327 nan 8.280 nan 0.000 0.499 188 V N 4.242 123.858 119.914 -0.495 0.000 2.864 188 V HA 0.091 4.211 4.120 0.000 0.000 0.314 188 V C 0.577 176.477 176.094 -0.323 0.000 1.073 188 V CA -0.787 61.337 62.300 -0.293 0.000 0.956 188 V CB 2.022 33.734 31.823 -0.186 0.000 1.023 188 V HN 0.785 nan 8.190 nan 0.000 0.435 189 D N 0.767 121.074 120.400 -0.156 0.000 2.144 189 D HA -0.002 4.638 4.640 0.000 0.000 0.200 189 D C 0.352 176.554 176.300 -0.164 0.000 0.978 189 D CA 1.381 55.313 54.000 -0.113 0.000 0.833 189 D CB 0.467 41.214 40.800 -0.087 0.000 0.961 189 D HN 0.235 nan 8.370 nan 0.000 0.470 190 V N 0.236 119.996 119.914 -0.256 0.000 3.130 190 V HA 0.298 4.418 4.120 0.000 0.000 0.310 190 V C -2.298 173.629 176.094 -0.279 0.000 1.158 190 V CA -1.765 60.340 62.300 -0.325 0.000 1.029 190 V CB 2.899 34.340 31.823 -0.638 0.000 1.057 190 V HN -0.152 nan 8.190 nan 0.000 0.436 191 P HA 0.253 nan 4.420 nan 0.000 0.248 191 P C -0.988 176.460 177.300 0.246 0.000 1.708 191 P CA 0.170 63.316 63.100 0.077 0.000 1.062 191 P CB -0.562 31.230 31.700 0.154 0.000 1.562 192 F N -0.998 119.037 119.950 0.142 0.000 2.686 192 F HA 0.721 5.248 4.527 0.000 0.000 0.311 192 F C -1.497 174.366 175.800 0.104 0.000 1.128 192 F CA -2.092 55.987 58.000 0.133 0.000 0.946 192 F CB 0.515 39.539 39.000 0.041 0.000 1.336 192 F HN -0.135 nan 8.300 nan 0.000 0.457 193 Y N -1.064 119.459 120.300 0.373 0.000 2.705 193 Y HA 0.829 5.379 4.550 0.000 0.000 0.332 193 Y C -1.727 174.147 175.900 -0.042 0.000 1.157 193 Y CA -2.180 55.957 58.100 0.063 0.000 1.091 193 Y CB 0.788 39.256 38.460 0.013 0.000 1.301 193 Y HN 0.516 nan 8.280 nan 0.000 0.488 194 V N 2.364 122.206 119.914 -0.121 0.000 2.368 194 V HA 0.282 4.402 4.120 0.000 0.000 0.266 194 V C 0.315 176.405 176.094 -0.007 0.000 1.045 194 V CA -0.203 61.919 62.300 -0.297 0.000 0.899 194 V CB 0.461 31.918 31.823 -0.609 0.000 1.006 194 V HN 0.875 nan 8.190 nan 0.000 0.470 195 S N 3.487 119.181 115.700 -0.011 0.000 2.617 195 S HA 0.644 5.114 4.470 0.000 0.000 0.259 195 S C 0.352 174.900 174.600 -0.087 0.000 1.301 195 S CA -0.047 58.168 58.200 0.024 0.000 0.984 195 S CB 0.935 64.139 63.200 0.006 0.000 0.954 195 S HN 0.988 nan 8.310 nan 0.000 0.572 196 A N 1.511 124.248 122.820 -0.138 0.000 2.290 196 A HA 0.609 4.929 4.320 0.000 0.000 0.310 196 A C 0.030 177.522 177.584 -0.153 0.000 1.202 196 A CA -0.359 51.576 52.037 -0.169 0.000 0.837 196 A CB 0.830 19.694 19.000 -0.225 0.000 1.139 196 A HN 0.623 nan 8.150 nan 0.000 0.509 197 T N 0.803 115.268 114.554 -0.148 0.000 2.918 197 T HA 0.683 5.033 4.350 0.000 0.000 0.286 197 T C -0.081 174.566 174.700 -0.089 0.000 1.026 197 T CA 0.207 62.219 62.100 -0.146 0.000 1.031 197 T CB 1.231 69.982 68.868 -0.194 0.000 1.046 197 T HN 1.219 nan 8.240 nan 0.000 0.479 198 A N 2.525 125.338 122.820 -0.012 0.000 2.340 198 A HA 0.764 5.084 4.320 0.000 0.000 0.331 198 A C -0.271 177.398 177.584 0.142 0.000 1.140 198 A CA -0.717 51.353 52.037 0.055 0.000 0.801 198 A CB 0.195 19.254 19.000 0.099 0.000 1.234 198 A HN 1.089 nan 8.150 nan 0.000 0.469 199 L N 0.563 121.827 121.223 0.068 0.000 3.671 199 L HA -0.225 4.115 4.340 0.000 0.000 0.609 199 L C 0.616 177.579 176.870 0.156 0.000 1.251 199 L CA -0.177 54.709 54.840 0.077 0.000 0.934 199 L CB -1.973 40.123 42.059 0.061 0.000 1.496 199 L HN 0.818 nan 8.230 nan 0.000 0.854 200 C N -0.683 118.667 119.300 0.083 0.000 2.626 200 C HA -0.011 4.449 4.460 0.000 0.000 0.266 200 C C 2.232 177.308 174.990 0.143 0.000 1.317 200 C CA 0.155 59.241 59.018 0.114 0.000 1.716 200 C CB -0.615 27.128 27.740 0.006 0.000 1.819 200 C HN 0.663 nan 8.230 nan 0.000 0.578 201 K N 0.733 121.186 120.400 0.088 0.000 2.525 201 K HA 0.124 4.444 4.320 0.000 0.000 0.192 201 K C 1.494 178.135 176.600 0.070 0.000 1.029 201 K CA 0.355 56.676 56.287 0.058 0.000 1.029 201 K CB -0.023 32.490 32.500 0.021 0.000 0.814 201 K HN 0.506 nan 8.250 nan 0.000 0.503 202 L N -1.059 120.233 121.223 0.114 0.000 2.109 202 L HA -0.022 4.318 4.340 0.000 0.000 0.207 202 L C 2.226 179.142 176.870 0.077 0.000 1.086 202 L CA 1.431 56.297 54.840 0.043 0.000 0.760 202 L CB -0.141 41.862 42.059 -0.093 0.000 0.910 202 L HN 0.258 nan 8.230 nan 0.000 0.437 203 G N -1.585 107.358 108.800 0.239 0.000 2.683 203 G HA2 -0.111 3.849 3.960 0.000 0.000 0.213 203 G HA3 -0.111 3.849 3.960 0.000 0.000 0.213 203 G C 0.462 175.451 174.900 0.149 0.000 1.142 203 G CA 0.067 45.324 45.100 0.262 0.000 0.793 203 G HN 0.243 nan 8.290 nan 0.000 0.534 204 N N -0.232 118.537 118.700 0.114 0.000 2.710 204 N HA 0.271 5.011 4.740 0.000 0.000 0.244 204 N C -2.592 172.949 175.510 0.052 0.000 1.321 204 N CA -1.446 51.645 53.050 0.068 0.000 0.758 204 N CB 1.857 40.380 38.487 0.061 0.000 1.284 204 N HN -0.194 nan 8.380 nan 0.000 0.530 205 P HA 0.038 nan 4.420 nan 0.000 0.239 205 P C 0.803 178.118 177.300 0.026 0.000 1.184 205 P CA 0.389 63.507 63.100 0.030 0.000 0.760 205 P CB 0.554 32.268 31.700 0.024 0.000 0.884 206 L N -1.576 119.663 121.223 0.027 0.000 2.694 206 L HA 0.243 4.583 4.340 0.000 0.000 0.228 206 L C 1.519 178.402 176.870 0.022 0.000 1.048 206 L CA 1.426 56.280 54.840 0.023 0.000 0.887 206 L CB 0.201 42.273 42.059 0.022 0.000 1.265 206 L HN -0.280 nan 8.230 nan 0.000 0.492 207 E N -1.462 118.752 120.200 0.023 0.000 2.603 207 E HA 0.279 4.629 4.350 0.000 0.000 0.218 207 E C 1.269 177.880 176.600 0.018 0.000 0.878 207 E CA 0.650 57.062 56.400 0.020 0.000 1.348 207 E CB 0.562 30.273 29.700 0.019 0.000 1.318 207 E HN 0.233 nan 8.360 nan 0.000 0.673 208 G N 2.841 111.656 108.800 0.024 0.000 2.698 208 G HA2 -0.452 3.508 3.960 0.000 0.000 0.346 208 G HA3 -0.452 3.508 3.960 0.000 0.000 0.346 208 G C 1.019 175.924 174.900 0.007 0.000 1.287 208 G CA 1.472 46.586 45.100 0.022 0.000 0.990 208 G HN 0.284 nan 8.290 nan 0.000 0.545 209 E N 0.522 120.723 120.200 0.002 0.000 2.209 209 E HA -0.040 4.310 4.350 0.000 0.000 0.196 209 E C 2.535 179.127 176.600 -0.013 0.000 0.993 209 E CA 1.648 58.040 56.400 -0.013 0.000 0.819 209 E CB -0.161 29.536 29.700 -0.005 0.000 0.745 209 E HN 0.620 nan 8.360 nan 0.000 0.477 210 K N 0.308 120.706 120.400 -0.002 0.000 2.009 210 K HA -0.171 4.149 4.320 0.000 0.000 0.210 210 K C 1.741 178.336 176.600 -0.008 0.000 1.049 210 K CA 1.612 57.897 56.287 -0.003 0.000 0.929 210 K CB -0.147 32.356 32.500 0.004 0.000 0.714 210 K HN 0.069 nan 8.250 nan 0.000 0.440 211 D N 0.228 120.628 120.400 -0.001 0.000 2.149 211 D HA -0.161 4.480 4.640 0.000 0.000 0.198 211 D C 1.836 178.129 176.300 -0.012 0.000 0.990 211 D CA 1.088 55.088 54.000 0.001 0.000 0.839 211 D CB -0.391 40.417 40.800 0.013 0.000 0.948 211 D HN 0.101 nan 8.370 nan 0.000 0.460 212 V N 0.699 120.599 119.914 -0.023 0.000 2.287 212 V HA -0.268 3.852 4.120 0.000 0.000 0.248 212 V C 2.126 178.185 176.094 -0.058 0.000 1.053 212 V CA 2.527 64.800 62.300 -0.044 0.000 1.027 212 V CB -0.737 31.044 31.823 -0.069 0.000 0.646 212 V HN 0.171 nan 8.190 nan 0.000 0.447 213 A N 0.068 122.856 122.820 -0.052 0.000 1.908 213 A HA -0.255 4.065 4.320 0.000 0.000 0.218 213 A C 2.275 179.825 177.584 -0.056 0.000 1.181 213 A CA 2.171 54.170 52.037 -0.064 0.000 0.627 213 A CB -0.725 18.245 19.000 -0.051 0.000 0.818 213 A HN 0.639 nan 8.150 nan 0.000 0.445 214 R N -0.894 119.585 120.500 -0.034 0.000 2.122 214 R HA -0.165 4.175 4.340 0.000 0.000 0.236 214 R C 2.376 178.662 176.300 -0.023 0.000 1.129 214 R CA 1.926 58.012 56.100 -0.023 0.000 0.925 214 R CB -1.023 29.273 30.300 -0.008 0.000 0.850 214 R HN 0.522 nan 8.270 nan 0.000 0.431 215 G N -0.465 108.325 108.800 -0.016 0.000 2.485 215 G HA2 -0.268 3.693 3.960 0.000 0.000 0.221 215 G HA3 -0.268 3.693 3.960 0.000 0.000 0.221 215 G C 1.039 175.927 174.900 -0.020 0.000 1.115 215 G CA 1.251 46.349 45.100 -0.003 0.000 0.751 215 G HN 0.490 nan 8.290 nan 0.000 0.567 216 C N 0.364 119.629 119.300 -0.059 0.000 2.754 216 C HA 0.526 4.986 4.460 0.000 0.000 0.276 216 C C 2.489 177.429 174.990 -0.083 0.000 1.264 216 C CA -0.464 58.503 59.018 -0.084 0.000 1.700 216 C CB -0.374 27.274 27.740 -0.153 0.000 1.885 216 C HN 0.419 nan 8.230 nan 0.000 0.607 217 G N 1.183 109.946 108.800 -0.062 0.000 2.742 217 G HA2 -0.035 3.925 3.960 0.000 0.000 0.204 217 G HA3 -0.035 3.925 3.960 0.000 0.000 0.204 217 G C 1.571 176.448 174.900 -0.038 0.000 1.126 217 G CA 0.633 45.698 45.100 -0.058 0.000 0.829 217 G HN 0.616 nan 8.290 nan 0.000 0.574 218 Q N 0.516 120.300 119.800 -0.026 0.000 2.112 218 Q HA 0.085 4.425 4.340 0.000 0.000 0.206 218 Q C 1.617 177.610 176.000 -0.011 0.000 0.987 218 Q CA 1.373 57.167 55.803 -0.014 0.000 0.858 218 Q CB -0.568 28.166 28.738 -0.006 0.000 0.905 218 Q HN 0.315 nan 8.270 nan 0.000 0.420 219 G N 0.496 109.291 108.800 -0.009 0.000 2.509 219 G HA2 0.309 4.269 3.960 0.000 0.000 0.269 219 G HA3 0.309 4.269 3.960 0.000 0.000 0.269 219 G C 0.909 175.804 174.900 -0.007 0.000 1.416 219 G CA 0.155 45.255 45.100 -0.001 0.000 1.052 219 G HN 0.364 nan 8.290 nan 0.000 0.542 220 V N -3.556 116.357 119.914 -0.001 0.000 2.878 220 V HA 0.221 4.341 4.120 0.000 0.000 0.250 220 V C 1.163 177.252 176.094 -0.009 0.000 1.075 220 V CA 1.161 63.459 62.300 -0.004 0.000 1.096 220 V CB -0.535 31.289 31.823 0.001 0.000 0.724 220 V HN 0.378 nan 8.190 nan 0.000 0.467 221 T N 2.831 117.381 114.554 -0.006 0.000 2.837 221 T HA 0.645 4.995 4.350 0.000 0.000 0.285 221 T C -0.455 174.219 174.700 -0.042 0.000 0.984 221 T CA -0.396 61.691 62.100 -0.022 0.000 1.049 221 T CB 1.071 69.935 68.868 -0.008 0.000 0.947 221 T HN 0.816 nan 8.240 nan 0.000 0.472 222 K N 0.903 121.257 120.400 -0.078 0.000 2.532 222 K HA 0.828 5.148 4.320 0.000 0.000 0.265 222 K C -1.832 174.664 176.600 -0.173 0.000 0.948 222 K CA -1.009 55.215 56.287 -0.105 0.000 0.842 222 K CB 1.823 34.274 32.500 -0.082 0.000 1.392 222 K HN 0.276 nan 8.250 nan 0.000 0.436 223 V N 1.266 121.058 119.914 -0.203 0.000 2.925 223 V HA 0.480 4.600 4.120 0.000 0.000 0.311 223 V C -2.580 173.325 176.094 -0.315 0.000 1.104 223 V CA -2.105 60.026 62.300 -0.280 0.000 0.954 223 V CB 2.281 33.942 31.823 -0.270 0.000 1.022 223 V HN 0.732 nan 8.190 nan 0.000 0.427 224 P HA 0.228 nan 4.420 nan 0.000 0.271 224 P C -1.192 175.815 177.300 -0.488 0.000 1.220 224 P CA -0.073 62.642 63.100 -0.642 0.000 0.768 224 P CB 0.406 31.486 31.700 -1.033 0.000 0.848 225 Q N 3.468 122.992 119.800 -0.460 0.000 2.325 225 Q HA 0.501 4.841 4.340 0.000 0.000 0.270 225 Q C -1.091 174.786 176.000 -0.203 0.000 1.020 225 Q CA -0.855 54.783 55.803 -0.274 0.000 0.785 225 Q CB 1.240 29.849 28.738 -0.215 0.000 1.259 225 Q HN 0.451 nan 8.270 nan 0.000 0.452 226 M N 5.480 125.012 119.600 -0.113 0.000 2.144 226 M HA 0.427 4.907 4.480 0.000 0.000 0.356 226 M C -1.568 174.649 176.300 -0.137 0.000 1.217 226 M CA -0.394 54.853 55.300 -0.089 0.000 1.087 226 M CB 0.635 33.086 32.600 -0.248 0.000 1.609 226 M HN 0.603 nan 8.290 nan 0.000 0.467 227 I N 3.626 124.129 120.570 -0.112 0.000 2.365 227 I HA 0.228 4.398 4.170 0.000 0.000 0.291 227 I C 0.440 176.330 176.117 -0.380 0.000 1.004 227 I CA -0.352 60.864 61.300 -0.141 0.000 1.311 227 I CB 1.612 39.642 38.000 0.050 0.000 1.401 227 I HN 0.729 nan 8.210 nan 0.000 0.491 228 S N 3.153 118.687 115.700 -0.276 0.000 2.565 228 S HA 0.094 4.564 4.470 0.000 0.000 0.276 228 S C 1.290 175.703 174.600 -0.311 0.000 1.326 228 S CA -0.385 57.613 58.200 -0.337 0.000 1.045 228 S CB 0.958 64.048 63.200 -0.184 0.000 0.918 228 S HN 0.732 nan 8.310 nan 0.000 0.505 229 T N 4.106 118.447 114.554 -0.355 0.000 2.977 229 T HA -0.006 4.344 4.350 0.000 0.000 0.271 229 T C 0.574 175.324 174.700 0.083 0.000 1.105 229 T CA 0.965 63.050 62.100 -0.026 0.000 1.116 229 T CB -0.162 68.757 68.868 0.084 0.000 0.878 229 T HN 0.335 nan 8.240 nan 0.000 0.509 230 L N 1.211 122.430 121.223 -0.006 0.000 3.108 230 L HA 0.521 4.861 4.340 0.000 0.000 0.251 230 L C 0.728 177.584 176.870 -0.024 0.000 1.315 230 L CA -0.894 53.929 54.840 -0.029 0.000 1.048 230 L CB -1.127 40.889 42.059 -0.071 0.000 1.432 230 L HN 0.028 nan 8.230 nan 0.000 0.543 231 A N -0.616 122.208 122.820 0.007 0.000 2.483 231 A HA 0.292 4.612 4.320 0.000 0.000 0.238 231 A C 1.533 179.117 177.584 -0.000 0.000 1.070 231 A CA 0.532 52.573 52.037 0.006 0.000 0.770 231 A CB 0.319 19.339 19.000 0.035 0.000 1.008 231 A HN 0.509 nan 8.150 nan 0.000 0.497 232 S N 0.065 115.757 115.700 -0.013 0.000 2.420 232 S HA -0.149 4.321 4.470 0.000 0.000 0.237 232 S C 0.789 175.395 174.600 0.009 0.000 1.023 232 S CA 1.207 59.395 58.200 -0.020 0.000 0.991 232 S CB -0.783 62.410 63.200 -0.013 0.000 0.792 232 S HN 0.753 nan 8.310 nan 0.000 0.488 233 C N 1.566 120.883 119.300 0.028 0.000 2.451 233 C HA 0.764 5.224 4.460 0.000 0.000 0.391 233 C C 1.178 176.208 174.990 0.066 0.000 1.286 233 C CA -1.232 57.810 59.018 0.041 0.000 1.935 233 C CB 1.225 28.985 27.740 0.032 0.000 2.188 233 C HN 0.542 nan 8.230 nan 0.000 0.523 234 S N 0.768 116.508 115.700 0.068 0.000 2.645 234 S HA 0.327 4.797 4.470 0.000 0.000 0.266 234 S C -2.185 172.465 174.600 0.083 0.000 1.258 234 S CA -0.528 57.721 58.200 0.083 0.000 0.990 234 S CB 0.379 63.617 63.200 0.062 0.000 0.967 234 S HN 0.577 nan 8.310 nan 0.000 0.556 235 P HA -0.009 nan 4.420 nan 0.000 0.221 235 P C 1.384 178.707 177.300 0.038 0.000 1.155 235 P CA 0.784 63.932 63.100 0.080 0.000 0.812 235 P CB -0.055 31.670 31.700 0.042 0.000 0.801 236 E N 1.115 121.327 120.200 0.020 0.000 2.065 236 E HA -0.270 4.080 4.350 0.000 0.000 0.201 236 E C 1.797 178.405 176.600 0.013 0.000 1.016 236 E CA 1.460 57.865 56.400 0.008 0.000 0.818 236 E CB -1.256 28.447 29.700 0.004 0.000 0.749 236 E HN 0.385 nan 8.360 nan 0.000 0.453 237 E N 0.656 120.868 120.200 0.021 0.000 2.068 237 E HA -0.200 4.150 4.350 0.000 0.000 0.207 237 E C 2.281 178.890 176.600 0.016 0.000 1.032 237 E CA 1.789 58.201 56.400 0.020 0.000 0.839 237 E CB -0.232 29.484 29.700 0.028 0.000 0.758 237 E HN 0.322 nan 8.360 nan 0.000 0.457 238 I N 0.503 121.087 120.570 0.023 0.000 2.614 238 I HA -0.190 3.980 4.170 0.000 0.000 0.258 238 I C 2.103 178.224 176.117 0.007 0.000 1.189 238 I CA 0.846 62.155 61.300 0.015 0.000 1.462 238 I CB -0.287 37.730 38.000 0.029 0.000 1.092 238 I HN 0.172 nan 8.210 nan 0.000 0.442 239 I N 0.791 121.367 120.570 0.010 0.000 2.867 239 I HA -0.111 4.059 4.170 0.000 0.000 0.265 239 I C 1.389 177.502 176.117 -0.007 0.000 1.162 239 I CA 0.646 61.946 61.300 -0.000 0.000 1.471 239 I CB -0.078 37.923 38.000 0.002 0.000 1.123 239 I HN 0.163 nan 8.210 nan 0.000 0.440 240 E N 1.780 121.979 120.200 -0.003 0.000 2.359 240 E HA 0.189 4.539 4.350 0.000 0.000 0.187 240 E C 1.369 177.967 176.600 -0.004 0.000 1.081 240 E CA 0.216 56.613 56.400 -0.005 0.000 0.929 240 E CB 0.122 29.821 29.700 -0.003 0.000 1.086 240 E HN 0.361 nan 8.360 nan 0.000 0.462 241 A N 0.925 123.742 122.820 -0.005 0.000 2.238 241 A HA 0.452 4.772 4.320 0.000 0.000 0.210 241 A C 1.136 178.711 177.584 -0.014 0.000 1.179 241 A CA 0.177 52.210 52.037 -0.007 0.000 0.827 241 A CB 0.340 19.337 19.000 -0.004 0.000 0.856 241 A HN 0.267 nan 8.150 nan 0.000 0.488 242 A N 0.782 123.590 122.820 -0.019 0.000 2.287 242 A HA 0.633 4.953 4.320 0.000 0.000 0.317 242 A C -1.503 176.064 177.584 -0.028 0.000 1.220 242 A CA -1.519 50.500 52.037 -0.029 0.000 0.835 242 A CB 0.816 19.794 19.000 -0.038 0.000 1.180 242 A HN 0.120 nan 8.150 nan 0.000 0.500 243 P HA -0.017 nan 4.420 nan 0.000 0.237 243 P C 0.430 177.715 177.300 -0.025 0.000 1.178 243 P CA 0.810 63.897 63.100 -0.022 0.000 0.766 243 P CB 0.429 32.117 31.700 -0.019 0.000 0.876 244 S N -0.742 114.938 115.700 -0.033 0.000 2.542 244 S HA 0.340 4.810 4.470 0.000 0.000 0.293 244 S C 0.546 175.125 174.600 -0.034 0.000 1.089 244 S CA -0.540 57.640 58.200 -0.033 0.000 0.961 244 S CB 1.769 64.946 63.200 -0.038 0.000 1.062 244 S HN -0.333 nan 8.310 nan 0.000 0.483 245 D N 1.995 122.378 120.400 -0.028 0.000 2.183 245 D HA 0.083 4.723 4.640 0.000 0.000 0.203 245 D C 0.954 177.234 176.300 -0.033 0.000 0.969 245 D CA 1.183 55.166 54.000 -0.028 0.000 0.842 245 D CB 0.167 40.954 40.800 -0.022 0.000 0.957 245 D HN 0.582 nan 8.370 nan 0.000 0.484 246 K N 0.051 120.430 120.400 -0.035 0.000 2.469 246 K HA 0.113 4.433 4.320 0.000 0.000 0.201 246 K C 0.420 176.988 176.600 -0.054 0.000 1.028 246 K CA -0.165 56.101 56.287 -0.034 0.000 1.170 246 K CB 0.413 32.897 32.500 -0.027 0.000 0.874 246 K HN 0.136 nan 8.250 nan 0.000 0.507 247 Q N 1.691 121.450 119.800 -0.069 0.000 2.340 247 Q HA 0.289 4.630 4.340 0.000 0.000 0.249 247 Q C -0.662 175.256 176.000 -0.137 0.000 0.957 247 Q CA -0.283 55.457 55.803 -0.106 0.000 0.882 247 Q CB 0.735 29.417 28.738 -0.094 0.000 1.235 247 Q HN 0.343 nan 8.270 nan 0.000 0.439 248 I N 0.446 120.886 120.570 -0.217 0.000 2.619 248 I HA 0.447 4.617 4.170 0.000 0.000 0.292 248 I C -1.694 174.169 176.117 -0.423 0.000 1.100 248 I CA -0.755 60.380 61.300 -0.275 0.000 1.043 248 I CB 2.297 40.129 38.000 -0.281 0.000 1.239 248 I HN 0.645 nan 8.210 nan 0.000 0.420 249 Q N 5.369 124.990 119.800 -0.299 0.000 2.365 249 Q HA 0.499 4.839 4.340 0.000 0.000 0.269 249 Q C -1.943 174.046 176.000 -0.018 0.000 1.061 249 Q CA -0.638 55.031 55.803 -0.224 0.000 0.816 249 Q CB 2.664 31.350 28.738 -0.086 0.000 1.325 249 Q HN 0.582 nan 8.270 nan 0.000 0.446 250 W N 1.488 122.762 121.300 -0.043 0.000 2.761 250 W HA 0.368 5.028 4.660 0.000 0.000 0.340 250 W C -0.987 175.567 176.519 0.057 0.000 1.072 250 W CA -1.154 56.193 57.345 0.003 0.000 1.215 250 W CB 1.027 30.398 29.460 -0.148 0.000 1.420 250 W HN 0.573 nan 8.180 nan 0.000 0.519 251 Y N 2.590 123.026 120.300 0.227 0.000 2.361 251 Y HA 0.250 4.800 4.550 0.000 0.000 0.332 251 Y C 0.386 176.336 175.900 0.083 0.000 1.101 251 Y CA -0.360 57.804 58.100 0.106 0.000 1.137 251 Y CB 1.315 39.822 38.460 0.078 0.000 1.207 251 Y HN 0.278 nan 8.280 nan 0.000 0.463 252 Q N 5.822 125.254 119.800 -0.613 0.000 2.256 252 Q HA 0.356 4.696 4.340 0.000 0.000 0.257 252 Q C -2.237 173.502 176.000 -0.434 0.000 0.936 252 Q CA -0.872 54.692 55.803 -0.398 0.000 0.903 252 Q CB 1.789 30.253 28.738 -0.456 0.000 1.263 252 Q HN 0.719 nan 8.270 nan 0.000 0.440 253 L N 4.465 125.597 121.223 -0.152 0.000 2.322 253 L HA 0.427 4.767 4.340 0.000 0.000 0.281 253 L C -1.648 175.201 176.870 -0.036 0.000 1.014 253 L CA -0.491 54.367 54.840 0.031 0.000 0.815 253 L CB 1.279 43.408 42.059 0.117 0.000 1.247 253 L HN 0.562 nan 8.230 nan 0.000 0.421 254 Y N 3.819 124.186 120.300 0.112 0.000 2.342 254 Y HA 0.418 4.968 4.550 0.000 0.000 0.338 254 Y C 0.010 176.001 175.900 0.152 0.000 0.965 254 Y CA -0.853 57.308 58.100 0.102 0.000 1.159 254 Y CB 1.861 40.378 38.460 0.095 0.000 1.157 254 Y HN 0.363 nan 8.280 nan 0.000 0.486 255 V N 5.516 125.592 119.914 0.270 0.000 2.555 255 V HA 0.267 4.387 4.120 0.000 0.000 0.286 255 V C 0.205 176.409 176.094 0.184 0.000 1.044 255 V CA -0.483 61.933 62.300 0.194 0.000 1.026 255 V CB 0.494 32.387 31.823 0.117 0.000 0.981 255 V HN 0.917 nan 8.190 nan 0.000 0.480 256 N N 4.396 123.192 118.700 0.161 0.000 2.340 256 N HA 0.090 4.830 4.740 0.000 0.000 0.236 256 N C 1.259 176.804 175.510 0.058 0.000 1.296 256 N CA 0.598 53.704 53.050 0.093 0.000 0.896 256 N CB 1.012 39.490 38.487 -0.016 0.000 1.127 256 N HN 0.809 nan 8.380 nan 0.000 0.442 257 S N -0.120 115.602 115.700 0.037 0.000 2.387 257 S HA -0.129 4.341 4.470 0.000 0.000 0.226 257 S C 0.281 174.890 174.600 0.016 0.000 1.026 257 S CA 0.693 58.910 58.200 0.028 0.000 0.972 257 S CB -0.125 63.092 63.200 0.028 0.000 0.814 257 S HN 0.662 nan 8.310 nan 0.000 0.477 258 D N 1.505 121.905 120.400 0.001 0.000 2.600 258 D HA 0.104 4.744 4.640 0.000 0.000 0.226 258 D C 0.992 177.291 176.300 -0.001 0.000 1.119 258 D CA -0.176 53.822 54.000 -0.003 0.000 1.051 258 D CB -0.095 40.697 40.800 -0.012 0.000 1.106 258 D HN -0.200 nan 8.370 nan 0.000 0.491 259 R N 1.462 121.969 120.500 0.012 0.000 2.295 259 R HA -0.208 4.132 4.340 0.000 0.000 0.265 259 R C 1.788 178.095 176.300 0.011 0.000 1.203 259 R CA 0.707 56.818 56.100 0.017 0.000 1.023 259 R CB -0.337 29.975 30.300 0.020 0.000 0.880 259 R HN 0.440 nan 8.270 nan 0.000 0.481 260 K N 0.201 120.601 120.400 0.000 0.000 1.969 260 K HA -0.119 4.202 4.320 0.000 0.000 0.216 260 K C 1.984 178.574 176.600 -0.017 0.000 1.048 260 K CA 1.501 57.783 56.287 -0.009 0.000 0.948 260 K CB -0.279 32.212 32.500 -0.016 0.000 0.726 260 K HN 0.060 nan 8.250 nan 0.000 0.442 261 I N 1.270 121.820 120.570 -0.033 0.000 2.147 261 I HA -0.380 3.791 4.170 0.000 0.000 0.245 261 I C 2.337 178.450 176.117 -0.006 0.000 1.059 261 I CA 1.805 63.075 61.300 -0.050 0.000 1.320 261 I CB -1.410 36.549 38.000 -0.068 0.000 1.021 261 I HN 0.355 nan 8.210 nan 0.000 0.415 262 T N -0.062 114.504 114.554 0.020 0.000 2.643 262 T HA -0.239 4.111 4.350 0.000 0.000 0.264 262 T C 1.625 176.346 174.700 0.035 0.000 1.045 262 T CA 2.028 64.163 62.100 0.058 0.000 1.155 262 T CB -0.427 68.486 68.868 0.076 0.000 0.863 262 T HN 0.388 nan 8.240 nan 0.000 0.420 263 D N 0.572 120.983 120.400 0.019 0.000 2.203 263 D HA -0.148 4.492 4.640 0.000 0.000 0.199 263 D C 1.636 177.933 176.300 -0.005 0.000 0.997 263 D CA 1.203 55.208 54.000 0.009 0.000 0.863 263 D CB -0.069 40.733 40.800 0.004 0.000 0.928 263 D HN 0.293 nan 8.370 nan 0.000 0.458 264 D N -0.039 120.352 120.400 -0.014 0.000 2.084 264 D HA -0.122 4.518 4.640 0.000 0.000 0.196 264 D C 2.271 178.548 176.300 -0.037 0.000 0.985 264 D CA 0.268 54.250 54.000 -0.029 0.000 0.826 264 D CB -0.576 40.199 40.800 -0.041 0.000 0.978 264 D HN 0.263 nan 8.370 nan 0.000 0.456 265 L N 0.806 122.015 121.223 -0.024 0.000 2.064 265 L HA -0.240 4.100 4.340 0.000 0.000 0.216 265 L C 2.360 179.183 176.870 -0.079 0.000 1.077 265 L CA 1.255 56.071 54.840 -0.040 0.000 0.766 265 L CB -0.193 41.896 42.059 0.050 0.000 0.890 265 L HN -0.016 nan 8.230 nan 0.000 0.435 266 V N -0.569 119.329 119.914 -0.026 0.000 2.323 266 V HA -0.270 3.850 4.120 0.000 0.000 0.244 266 V C 2.403 178.470 176.094 -0.045 0.000 1.041 266 V CA 1.704 63.988 62.300 -0.027 0.000 1.025 266 V CB -0.400 31.428 31.823 0.008 0.000 0.656 266 V HN 0.413 nan 8.190 nan 0.000 0.451 267 K N 0.109 120.488 120.400 -0.034 0.000 2.097 267 K HA -0.191 4.129 4.320 0.000 0.000 0.206 267 K C 2.106 178.678 176.600 -0.048 0.000 1.049 267 K CA 1.704 57.973 56.287 -0.031 0.000 0.933 267 K CB -0.310 32.174 32.500 -0.025 0.000 0.717 267 K HN 0.576 nan 8.250 nan 0.000 0.442 268 N N 0.789 119.449 118.700 -0.066 0.000 2.051 268 N HA -0.173 4.567 4.740 0.000 0.000 0.192 268 N C 2.028 177.474 175.510 -0.106 0.000 1.049 268 N CA 1.859 54.862 53.050 -0.079 0.000 0.845 268 N CB -0.003 38.432 38.487 -0.086 0.000 1.031 268 N HN 0.041 nan 8.380 nan 0.000 0.425 269 V N -0.219 119.587 119.914 -0.181 0.000 2.317 269 V HA -0.270 3.850 4.120 0.000 0.000 0.251 269 V C 2.199 178.239 176.094 -0.089 0.000 1.065 269 V CA 2.451 64.630 62.300 -0.202 0.000 1.049 269 V CB -1.204 30.363 31.823 -0.426 0.000 0.651 269 V HN 0.433 nan 8.190 nan 0.000 0.450 270 E N 0.643 120.809 120.200 -0.057 0.000 2.085 270 E HA -0.324 4.026 4.350 0.000 0.000 0.194 270 E C 2.369 178.959 176.600 -0.016 0.000 0.994 270 E CA 1.953 58.343 56.400 -0.017 0.000 0.801 270 E CB -0.274 29.421 29.700 -0.009 0.000 0.743 270 E HN 0.767 nan 8.360 nan 0.000 0.453 271 K N 0.253 120.636 120.400 -0.027 0.000 2.057 271 K HA -0.159 4.161 4.320 0.000 0.000 0.207 271 K C 1.746 178.333 176.600 -0.022 0.000 1.049 271 K CA 1.325 57.598 56.287 -0.022 0.000 0.931 271 K CB -0.100 32.383 32.500 -0.027 0.000 0.714 271 K HN 0.147 nan 8.250 nan 0.000 0.440 272 L N 0.892 122.096 121.223 -0.032 0.000 2.675 272 L HA 0.169 4.509 4.340 0.000 0.000 0.239 272 L C 0.855 177.721 176.870 -0.008 0.000 1.151 272 L CA 0.588 55.415 54.840 -0.021 0.000 0.905 272 L CB -0.503 41.540 42.059 -0.027 0.000 1.057 272 L HN 0.296 nan 8.230 nan 0.000 0.435 273 G N 1.043 109.842 108.800 -0.002 0.000 2.412 273 G HA2 -0.238 3.722 3.960 0.000 0.000 0.297 273 G HA3 -0.238 3.722 3.960 0.000 0.000 0.297 273 G C 0.493 175.411 174.900 0.030 0.000 0.965 273 G CA 0.357 45.466 45.100 0.015 0.000 1.134 273 G HN 0.423 nan 8.290 nan 0.000 0.511 274 V N -2.850 117.092 119.914 0.045 0.000 3.549 274 V HA 0.258 4.378 4.120 0.000 0.000 0.300 274 V C 1.297 177.477 176.094 0.143 0.000 1.154 274 V CA 1.103 63.465 62.300 0.103 0.000 1.268 274 V CB 0.644 32.556 31.823 0.147 0.000 1.054 274 V HN 0.384 nan 8.190 nan 0.000 0.501 275 K N 1.283 121.836 120.400 0.255 0.000 2.412 275 K HA 0.600 4.920 4.320 0.000 0.000 0.202 275 K C 0.257 177.028 176.600 0.285 0.000 1.102 275 K CA 0.738 57.179 56.287 0.257 0.000 1.027 275 K CB 1.344 33.998 32.500 0.257 0.000 0.931 275 K HN 0.993 nan 8.250 nan 0.000 0.557 276 A N 0.991 124.020 122.820 0.347 0.000 2.594 276 A HA 0.693 5.013 4.320 0.000 0.000 0.291 276 A C -1.847 175.781 177.584 0.072 0.000 1.105 276 A CA -0.658 51.407 52.037 0.048 0.000 0.694 276 A CB 1.266 20.079 19.000 -0.312 0.000 1.291 276 A HN 0.061 nan 8.150 nan 0.000 0.410 277 L N 0.505 121.688 121.223 -0.067 0.000 2.362 277 L HA 0.647 4.987 4.340 0.000 0.000 0.275 277 L C -1.397 175.380 176.870 -0.155 0.000 0.998 277 L CA 0.080 54.933 54.840 0.021 0.000 0.820 277 L CB 1.536 43.616 42.059 0.034 0.000 1.270 277 L HN 0.608 nan 8.230 nan 0.000 0.415 278 F N 3.322 123.165 119.950 -0.177 0.000 2.347 278 F HA 0.437 4.964 4.527 0.000 0.000 0.366 278 F C -0.057 175.645 175.800 -0.164 0.000 1.107 278 F CA -0.658 57.210 58.000 -0.219 0.000 1.058 278 F CB 1.494 40.320 39.000 -0.291 0.000 1.236 278 F HN 0.008 nan 8.300 nan 0.000 0.456 279 V N 3.650 123.545 119.914 -0.031 0.000 2.385 279 V HA 0.197 4.317 4.120 0.000 0.000 0.269 279 V C 0.194 176.268 176.094 -0.033 0.000 1.043 279 V CA -0.426 61.859 62.300 -0.025 0.000 0.906 279 V CB 1.056 32.858 31.823 -0.035 0.000 0.995 279 V HN 0.671 nan 8.190 nan 0.000 0.467 280 T N 4.829 119.342 114.554 -0.068 0.000 2.761 280 T HA 0.204 4.555 4.350 0.000 0.000 0.296 280 T C 0.848 175.589 174.700 0.070 0.000 0.934 280 T CA -0.103 61.971 62.100 -0.043 0.000 1.091 280 T CB 1.208 69.961 68.868 -0.192 0.000 0.896 280 T HN 0.711 nan 8.240 nan 0.000 0.515 281 V N 0.204 120.136 119.914 0.030 0.000 3.427 281 V HA 0.251 4.371 4.120 0.000 0.000 0.305 281 V C 0.719 176.822 176.094 0.014 0.000 1.412 281 V CA -0.146 62.155 62.300 0.001 0.000 1.086 281 V CB -0.221 31.544 31.823 -0.097 0.000 0.964 281 V HN 0.767 nan 8.190 nan 0.000 0.439 282 D N 0.962 121.393 120.400 0.052 0.000 2.525 282 D HA 0.472 5.112 4.640 0.000 0.000 0.229 282 D C 0.749 177.073 176.300 0.041 0.000 1.202 282 D CA 0.506 54.527 54.000 0.036 0.000 0.828 282 D CB 0.651 41.473 40.800 0.038 0.000 1.008 282 D HN 0.498 nan 8.370 nan 0.000 0.493 283 A N 1.160 124.009 122.820 0.050 0.000 2.795 283 A HA 0.362 4.682 4.320 0.000 0.000 0.282 283 A C -1.455 176.092 177.584 -0.061 0.000 0.964 283 A CA -0.712 51.319 52.037 -0.011 0.000 1.045 283 A CB 0.540 19.519 19.000 -0.035 0.000 1.174 283 A HN 0.037 nan 8.150 nan 0.000 0.493 284 P HA -0.114 nan 4.420 nan 0.000 0.215 284 P C 1.003 178.274 177.300 -0.048 0.000 1.157 284 P CA 1.724 64.802 63.100 -0.037 0.000 0.868 284 P CB 0.053 31.741 31.700 -0.020 0.000 0.788 285 S N -0.940 114.736 115.700 -0.039 0.000 2.654 285 S HA 0.341 4.811 4.470 0.000 0.000 0.283 285 S C -0.235 174.328 174.600 -0.062 0.000 1.180 285 S CA -0.839 57.336 58.200 -0.043 0.000 1.021 285 S CB 0.462 63.648 63.200 -0.022 0.000 1.018 285 S HN -0.089 nan 8.310 nan 0.000 0.532 286 L N 3.926 125.108 121.223 -0.069 0.000 2.433 286 L HA 0.426 4.766 4.340 0.000 0.000 0.284 286 L C 1.175 178.017 176.870 -0.046 0.000 1.120 286 L CA 0.504 55.301 54.840 -0.073 0.000 0.879 286 L CB -0.363 41.649 42.059 -0.078 0.000 1.232 286 L HN 0.994 nan 8.230 nan 0.000 0.454 287 G N 3.789 112.564 108.800 -0.041 0.000 2.855 287 G HA2 0.089 4.049 3.960 0.000 0.000 0.248 287 G HA3 0.089 4.049 3.960 0.000 0.000 0.248 287 G C -0.393 174.487 174.900 -0.034 0.000 1.243 287 G CA -0.315 44.766 45.100 -0.031 0.000 0.881 287 G HN 0.772 nan 8.290 nan 0.000 0.598 288 Q N -0.775 119.008 119.800 -0.028 0.000 2.363 288 Q HA 0.471 4.811 4.340 0.000 0.000 0.265 288 Q C -0.177 175.802 176.000 -0.036 0.000 1.032 288 Q CA -0.636 55.153 55.803 -0.023 0.000 0.746 288 Q CB 1.117 29.853 28.738 -0.003 0.000 1.237 288 Q HN 0.446 nan 8.270 nan 0.000 0.475 289 R N 3.430 123.901 120.500 -0.049 0.000 3.070 289 R HA 0.124 4.464 4.340 0.000 0.000 0.252 289 R C 0.043 176.303 176.300 -0.067 0.000 1.370 289 R CA -0.003 56.053 56.100 -0.074 0.000 1.482 289 R CB 0.382 30.627 30.300 -0.092 0.000 1.220 289 R HN 0.865 nan 8.270 nan 0.000 0.622 290 E N 1.457 121.626 120.200 -0.051 0.000 2.187 290 E HA -0.275 4.076 4.350 0.000 0.000 0.199 290 E C 1.095 177.663 176.600 -0.054 0.000 1.004 290 E CA 1.482 57.859 56.400 -0.038 0.000 0.813 290 E CB 0.230 29.925 29.700 -0.009 0.000 0.736 290 E HN 0.482 nan 8.360 nan 0.000 0.468 291 K N 0.400 120.762 120.400 -0.063 0.000 2.365 291 K HA -0.056 4.264 4.320 0.000 0.000 0.197 291 K C 1.404 177.959 176.600 -0.075 0.000 1.042 291 K CA 0.979 57.235 56.287 -0.051 0.000 0.987 291 K CB 0.235 32.715 32.500 -0.033 0.000 0.779 291 K HN 0.010 nan 8.250 nan 0.000 0.484 292 D N 1.582 121.930 120.400 -0.086 0.000 2.162 292 D HA -0.012 4.628 4.640 0.000 0.000 0.205 292 D C 1.901 178.116 176.300 -0.142 0.000 0.964 292 D CA 0.797 54.748 54.000 -0.081 0.000 0.847 292 D CB 0.092 40.872 40.800 -0.032 0.000 0.988 292 D HN 0.071 nan 8.370 nan 0.000 0.480 293 M N 0.092 119.593 119.600 -0.165 0.000 2.117 293 M HA -0.074 4.406 4.480 0.000 0.000 0.262 293 M C 2.030 178.023 176.300 -0.512 0.000 1.065 293 M CA 1.102 56.214 55.300 -0.314 0.000 1.114 293 M CB -0.051 32.423 32.600 -0.209 0.000 1.361 293 M HN -0.180 nan 8.290 nan 0.000 0.408 294 K N 0.146 120.376 120.400 -0.283 0.000 2.589 294 K HA -0.135 4.185 4.320 0.000 0.000 0.195 294 K C 0.968 177.453 176.600 -0.192 0.000 1.040 294 K CA 0.568 56.736 56.287 -0.199 0.000 0.950 294 K CB 0.055 32.520 32.500 -0.059 0.000 0.781 294 K HN 0.175 nan 8.250 nan 0.000 0.486 295 L N 0.273 121.345 121.223 -0.252 0.000 2.189 295 L HA -0.056 4.285 4.340 0.000 0.000 0.199 295 L C 1.813 178.564 176.870 -0.199 0.000 1.074 295 L CA 1.094 55.823 54.840 -0.185 0.000 0.783 295 L CB -0.414 41.566 42.059 -0.133 0.000 0.955 295 L HN -0.063 nan 8.230 nan 0.000 0.460 296 K N 1.026 121.237 120.400 -0.315 0.000 2.077 296 K HA -0.179 4.141 4.320 0.000 0.000 0.213 296 K C 0.677 177.201 176.600 -0.126 0.000 1.051 296 K CA 1.572 57.692 56.287 -0.278 0.000 0.929 296 K CB -1.177 31.085 32.500 -0.396 0.000 0.715 296 K HN 0.334 nan 8.250 nan 0.000 0.451 297 F N 0.717 120.625 119.950 -0.071 0.000 2.387 297 F HA 0.444 4.971 4.527 0.000 0.000 0.332 297 F C -0.355 175.429 175.800 -0.027 0.000 1.174 297 F CA -1.218 56.750 58.000 -0.052 0.000 1.257 297 F CB 0.223 39.196 39.000 -0.044 0.000 1.569 297 F HN -0.327 nan 8.300 nan 0.000 0.554 298 S N 1.521 117.270 115.700 0.083 0.000 2.542 298 S HA 0.699 5.169 4.470 0.000 0.000 0.245 298 S C 0.092 174.713 174.600 0.035 0.000 1.325 298 S CA -0.442 57.796 58.200 0.063 0.000 1.176 298 S CB 0.481 63.720 63.200 0.066 0.000 1.045 298 S HN 0.776 nan 8.310 nan 0.000 0.481 318 A N -1.443 121.390 122.820 0.021 0.000 3.832 318 A HA 0.259 4.579 4.320 0.000 0.000 0.206 318 A C 1.070 178.663 177.584 0.015 0.000 1.151 318 A CA 2.009 54.057 52.037 0.018 0.000 1.639 318 A CB -1.913 17.096 19.000 0.015 0.000 0.878 318 A HN 2.387 nan 8.150 nan 0.000 0.774 319 S N -1.252 114.457 115.700 0.014 0.000 2.946 319 S HA 0.153 4.623 4.470 0.000 0.000 0.194 319 S C 0.750 175.354 174.600 0.005 0.000 0.773 319 S CA 0.579 58.783 58.200 0.008 0.000 1.082 319 S CB -0.866 62.338 63.200 0.008 0.000 1.393 319 S HN 1.419 nan 8.310 nan 0.000 0.551 320 R N 1.216 121.722 120.500 0.011 0.000 2.280 320 R HA 0.291 4.631 4.340 0.000 0.000 0.207 320 R C 1.187 177.486 176.300 -0.001 0.000 1.043 320 R CA 0.961 57.068 56.100 0.011 0.000 1.006 320 R CB -0.627 29.689 30.300 0.026 0.000 0.885 320 R HN 0.478 nan 8.270 nan 0.000 0.467 321 A N 1.663 124.480 122.820 -0.006 0.000 2.223 321 A HA 0.306 4.626 4.320 0.000 0.000 0.222 321 A C 0.195 177.760 177.584 -0.031 0.000 1.317 321 A CA -0.012 52.013 52.037 -0.021 0.000 0.985 321 A CB -0.377 18.613 19.000 -0.016 0.000 0.858 321 A HN 0.285 nan 8.150 nan 0.000 0.496 322 L N -2.451 118.755 121.223 -0.028 0.000 2.403 322 L HA 0.759 5.099 4.340 0.000 0.000 0.253 322 L C -0.272 176.581 176.870 -0.029 0.000 1.045 322 L CA -0.653 54.169 54.840 -0.029 0.000 0.845 322 L CB 2.263 44.314 42.059 -0.014 0.000 1.447 322 L HN -0.056 nan 8.230 nan 0.000 0.411 323 S N -0.869 114.820 115.700 -0.018 0.000 2.590 323 S HA 0.254 4.724 4.470 0.000 0.000 0.286 323 S C -0.150 174.471 174.600 0.035 0.000 1.147 323 S CA -0.628 57.568 58.200 -0.006 0.000 0.963 323 S CB 1.459 64.644 63.200 -0.025 0.000 1.124 323 S HN 0.643 nan 8.310 nan 0.000 0.458 324 K N 2.497 122.923 120.400 0.043 0.000 2.360 324 K HA 0.037 4.357 4.320 0.000 0.000 0.201 324 K C 1.310 177.965 176.600 0.091 0.000 1.046 324 K CA 0.794 57.114 56.287 0.055 0.000 0.945 324 K CB -0.193 32.331 32.500 0.040 0.000 0.750 324 K HN 0.572 nan 8.250 nan 0.000 0.464 325 F N 1.512 121.462 119.950 -0.000 0.000 2.117 325 F HA -0.253 4.274 4.527 0.000 0.000 0.297 325 F C 0.704 176.482 175.800 -0.037 0.000 1.185 325 F CA 1.440 59.434 58.000 -0.010 0.000 1.242 325 F CB -0.411 38.554 39.000 -0.059 0.000 0.931 325 F HN -0.154 nan 8.300 nan 0.000 0.540 326 I N 1.471 122.143 120.570 0.169 0.000 2.329 326 I HA 0.052 4.222 4.170 0.000 0.000 0.295 326 I C -0.315 175.815 176.117 0.022 0.000 1.109 326 I CA -0.174 61.120 61.300 -0.009 0.000 1.297 326 I CB -0.399 37.408 38.000 -0.322 0.000 1.433 326 I HN 0.057 nan 8.210 nan 0.000 0.509 327 D N 9.418 129.857 120.400 0.064 0.000 2.371 327 D HA 0.102 4.742 4.640 0.000 0.000 0.256 327 D C -1.641 174.668 176.300 0.015 0.000 1.193 327 D CA -1.866 52.158 54.000 0.040 0.000 0.881 327 D CB 1.129 41.957 40.800 0.046 0.000 1.143 327 D HN 0.292 nan 8.370 nan 0.000 0.473 328 P HA 0.071 nan 4.420 nan 0.000 0.249 328 P C -0.570 176.728 177.300 -0.003 0.000 1.544 328 P CA -0.038 63.059 63.100 -0.006 0.000 0.932 328 P CB -0.210 31.484 31.700 -0.009 0.000 1.524 329 S N -1.208 114.493 115.700 0.001 0.000 2.740 329 S HA 0.279 4.749 4.470 0.000 0.000 0.244 329 S C 0.004 174.600 174.600 -0.007 0.000 1.101 329 S CA -0.668 57.532 58.200 0.000 0.000 1.123 329 S CB -0.305 62.901 63.200 0.010 0.000 1.012 329 S HN 0.045 nan 8.310 nan 0.000 0.491 330 L N 1.990 123.198 121.223 -0.026 0.000 2.399 330 L HA 0.640 4.980 4.340 0.000 0.000 0.266 330 L C -0.397 176.420 176.870 -0.089 0.000 1.114 330 L CA 0.286 55.100 54.840 -0.043 0.000 0.804 330 L CB 1.715 43.743 42.059 -0.053 0.000 1.146 330 L HN 0.415 nan 8.230 nan 0.000 0.451 331 T N 0.001 114.502 114.554 -0.087 0.000 2.894 331 T HA 0.145 4.495 4.350 0.000 0.000 0.309 331 T C 0.280 174.929 174.700 -0.085 0.000 1.208 331 T CA -0.547 61.493 62.100 -0.101 0.000 1.016 331 T CB 1.164 70.056 68.868 0.040 0.000 1.192 331 T HN 0.610 nan 8.240 nan 0.000 0.491 332 W N 1.096 122.405 121.300 0.016 0.000 2.276 332 W HA -0.168 4.492 4.660 0.000 0.000 0.307 332 W C 2.380 178.904 176.519 0.010 0.000 1.240 332 W CA 0.975 58.327 57.345 0.011 0.000 1.249 332 W CB -0.299 29.165 29.460 0.008 0.000 1.140 332 W HN 0.499 nan 8.180 nan 0.000 0.519 333 K N 0.781 121.317 120.400 0.227 0.000 2.032 333 K HA -0.194 4.126 4.320 0.000 0.000 0.209 333 K C 1.481 178.134 176.600 0.087 0.000 1.048 333 K CA 2.001 58.367 56.287 0.132 0.000 0.927 333 K CB -0.945 31.613 32.500 0.096 0.000 0.712 333 K HN 0.146 nan 8.250 nan 0.000 0.441 334 D N 0.733 121.169 120.400 0.061 0.000 2.126 334 D HA -0.204 4.436 4.640 0.000 0.000 0.190 334 D C 2.001 178.318 176.300 0.028 0.000 1.001 334 D CA 1.053 55.072 54.000 0.031 0.000 0.841 334 D CB -0.113 40.691 40.800 0.007 0.000 0.949 334 D HN 0.119 nan 8.370 nan 0.000 0.446 335 I N 1.698 122.282 120.570 0.022 0.000 2.113 335 I HA -0.245 3.925 4.170 0.000 0.000 0.238 335 I C 2.465 178.617 176.117 0.057 0.000 1.070 335 I CA 1.177 62.493 61.300 0.027 0.000 1.332 335 I CB -1.401 36.609 38.000 0.017 0.000 1.044 335 I HN 0.242 nan 8.210 nan 0.000 0.402 336 E N 1.282 121.539 120.200 0.096 0.000 2.219 336 E HA -0.297 4.053 4.350 0.000 0.000 0.198 336 E C 1.758 178.388 176.600 0.050 0.000 0.998 336 E CA 1.657 58.102 56.400 0.076 0.000 0.818 336 E CB -0.451 29.300 29.700 0.085 0.000 0.741 336 E HN 0.679 nan 8.360 nan 0.000 0.477 337 E N 1.317 121.544 120.200 0.045 0.000 2.250 337 E HA -0.032 4.318 4.350 0.000 0.000 0.192 337 E C 2.095 178.710 176.600 0.025 0.000 0.986 337 E CA 0.155 56.574 56.400 0.032 0.000 0.849 337 E CB -0.167 29.551 29.700 0.031 0.000 0.797 337 E HN 0.300 nan 8.360 nan 0.000 0.482 338 L N 0.960 122.197 121.223 0.024 0.000 2.042 338 L HA -0.169 4.171 4.340 0.000 0.000 0.210 338 L C 2.539 179.417 176.870 0.014 0.000 1.076 338 L CA 1.850 56.701 54.840 0.018 0.000 0.749 338 L CB -0.400 41.669 42.059 0.016 0.000 0.893 338 L HN 0.292 nan 8.230 nan 0.000 0.432 339 K N 0.139 120.548 120.400 0.016 0.000 2.211 339 K HA -0.245 4.076 4.320 0.000 0.000 0.204 339 K C 1.827 178.433 176.600 0.010 0.000 1.047 339 K CA 1.496 57.790 56.287 0.011 0.000 0.935 339 K CB 0.152 32.662 32.500 0.016 0.000 0.728 339 K HN 0.138 nan 8.250 nan 0.000 0.452 340 K N 0.328 120.736 120.400 0.013 0.000 2.323 340 K HA 0.053 4.373 4.320 0.000 0.000 0.197 340 K C 0.906 177.511 176.600 0.009 0.000 1.043 340 K CA 0.629 56.923 56.287 0.011 0.000 0.997 340 K CB 0.482 32.989 32.500 0.013 0.000 0.807 340 K HN 0.063 nan 8.250 nan 0.000 0.497 341 K N 0.184 120.590 120.400 0.010 0.000 2.504 341 K HA 0.073 4.394 4.320 0.000 0.000 0.199 341 K C -0.073 176.530 176.600 0.006 0.000 1.028 341 K CA 0.147 56.438 56.287 0.008 0.000 1.164 341 K CB 0.575 33.081 32.500 0.009 0.000 0.877 341 K HN -0.069 nan 8.250 nan 0.000 0.508 342 T N -1.028 113.529 114.554 0.005 0.000 2.957 342 T HA 0.198 4.548 4.350 0.000 0.000 0.336 342 T C -0.329 174.374 174.700 0.004 0.000 1.462 342 T CA -0.704 61.398 62.100 0.004 0.000 1.073 342 T CB 1.293 70.164 68.868 0.005 0.000 1.319 342 T HN -0.238 nan 8.240 nan 0.000 0.485 343 K N 2.137 122.540 120.400 0.006 0.000 2.305 343 K HA 0.362 4.682 4.320 0.000 0.000 0.199 343 K C 0.821 177.426 176.600 0.008 0.000 1.047 343 K CA 0.365 56.657 56.287 0.007 0.000 0.976 343 K CB -0.423 32.082 32.500 0.009 0.000 0.765 343 K HN 0.604 nan 8.250 nan 0.000 0.474 344 L N 3.486 124.714 121.223 0.009 0.000 2.426 344 L HA 0.118 4.458 4.340 0.000 0.000 0.271 344 L C -1.861 175.000 176.870 -0.016 0.000 1.169 344 L CA -1.772 53.073 54.840 0.010 0.000 0.836 344 L CB 0.096 42.166 42.059 0.019 0.000 1.112 344 L HN -0.007 nan 8.230 nan 0.000 0.465 345 P HA 0.116 nan 4.420 nan 0.000 0.269 345 P C -0.839 176.378 177.300 -0.138 0.000 1.215 345 P CA 0.010 63.066 63.100 -0.072 0.000 0.780 345 P CB 0.980 32.633 31.700 -0.077 0.000 0.898 346 I N 1.933 122.415 120.570 -0.147 0.000 2.404 346 I HA 0.352 4.522 4.170 0.000 0.000 0.293 346 I C 0.127 176.069 176.117 -0.292 0.000 0.992 346 I CA -0.973 60.212 61.300 -0.191 0.000 1.149 346 I CB 1.990 39.929 38.000 -0.101 0.000 1.315 346 I HN 0.060 nan 8.210 nan 0.000 0.446 347 V N 6.959 126.585 119.914 -0.480 0.000 2.604 347 V HA 0.451 4.571 4.120 0.000 0.000 0.305 347 V C -0.053 175.828 176.094 -0.355 0.000 1.043 347 V CA -0.594 61.380 62.300 -0.545 0.000 0.888 347 V CB 2.852 33.965 31.823 -1.184 0.000 0.995 347 V HN 0.477 nan 8.190 nan 0.000 0.429 348 I N 4.835 125.300 120.570 -0.174 0.000 2.304 348 I HA 0.347 4.517 4.170 0.000 0.000 0.291 348 I C 0.259 176.362 176.117 -0.023 0.000 1.018 348 I CA -0.126 61.122 61.300 -0.087 0.000 1.260 348 I CB 0.856 38.833 38.000 -0.039 0.000 1.390 348 I HN 0.476 nan 8.210 nan 0.000 0.475 349 K N 5.164 125.567 120.400 0.005 0.000 2.211 349 K HA 0.522 4.842 4.320 0.000 0.000 0.275 349 K C 0.543 177.172 176.600 0.049 0.000 1.024 349 K CA 0.040 56.373 56.287 0.076 0.000 0.887 349 K CB 1.022 33.579 32.500 0.095 0.000 1.084 349 K HN 0.846 nan 8.250 nan 0.000 0.463 350 G N 2.089 110.930 108.800 0.067 0.000 2.148 350 G HA2 -0.188 3.772 3.960 0.000 0.000 0.157 350 G HA3 -0.188 3.772 3.960 0.000 0.000 0.157 350 G C -0.150 174.780 174.900 0.048 0.000 1.012 350 G CA -0.359 44.774 45.100 0.055 0.000 0.677 350 G HN 0.512 nan 8.290 nan 0.000 0.506 351 V N 0.416 120.365 119.914 0.059 0.000 2.694 351 V HA 0.208 4.328 4.120 0.000 0.000 0.306 351 V C 1.246 177.382 176.094 0.069 0.000 1.054 351 V CA 1.503 63.844 62.300 0.069 0.000 1.161 351 V CB 1.424 33.301 31.823 0.089 0.000 0.916 351 V HN 0.539 nan 8.190 nan 0.000 0.490 352 Q N 3.512 123.353 119.800 0.068 0.000 2.112 352 Q HA 0.329 4.669 4.340 0.000 0.000 0.222 352 Q C -0.177 175.859 176.000 0.060 0.000 0.798 352 Q CA -0.299 55.540 55.803 0.060 0.000 1.060 352 Q CB 0.798 29.568 28.738 0.053 0.000 1.184 352 Q HN 0.889 nan 8.270 nan 0.000 0.475 353 R N -3.829 116.714 120.500 0.071 0.000 2.741 353 R HA 0.357 4.698 4.340 0.000 0.000 0.276 353 R C 0.178 176.513 176.300 0.059 0.000 1.028 353 R CA -0.731 55.404 56.100 0.058 0.000 0.865 353 R CB -0.351 29.981 30.300 0.053 0.000 1.268 353 R HN -0.259 nan 8.270 nan 0.000 0.475 354 T N 0.461 115.040 114.554 0.042 0.000 2.737 354 T HA -0.166 4.184 4.350 0.000 0.000 0.269 354 T C 0.805 175.526 174.700 0.035 0.000 1.040 354 T CA 2.401 64.522 62.100 0.034 0.000 1.142 354 T CB -0.221 68.659 68.868 0.021 0.000 0.861 354 T HN 0.578 nan 8.240 nan 0.000 0.456 355 E N 1.341 121.563 120.200 0.038 0.000 2.016 355 E HA -0.064 4.286 4.350 0.000 0.000 0.190 355 E C 2.143 178.769 176.600 0.043 0.000 0.985 355 E CA 1.140 57.552 56.400 0.021 0.000 0.802 355 E CB -0.457 29.254 29.700 0.019 0.000 0.762 355 E HN 0.495 nan 8.360 nan 0.000 0.448 356 D N 0.583 121.058 120.400 0.125 0.000 2.265 356 D HA -0.125 4.515 4.640 0.000 0.000 0.208 356 D C 1.900 178.332 176.300 0.220 0.000 0.977 356 D CA 0.747 54.905 54.000 0.262 0.000 0.871 356 D CB -0.147 40.905 40.800 0.420 0.000 0.925 356 D HN 0.037 nan 8.370 nan 0.000 0.485 357 V N 1.515 121.503 119.914 0.123 0.000 2.343 357 V HA -0.215 3.905 4.120 0.000 0.000 0.247 357 V C 2.556 178.673 176.094 0.039 0.000 1.051 357 V CA 1.078 63.431 62.300 0.089 0.000 1.036 357 V CB -0.347 31.508 31.823 0.054 0.000 0.654 357 V HN 0.190 nan 8.190 nan 0.000 0.451 358 I N -0.454 120.117 120.570 0.002 0.000 2.286 358 I HA -0.247 3.923 4.170 0.000 0.000 0.248 358 I C 2.496 178.554 176.117 -0.099 0.000 1.115 358 I CA 1.478 62.754 61.300 -0.040 0.000 1.392 358 I CB -0.481 37.489 38.000 -0.051 0.000 1.065 358 I HN 0.267 nan 8.210 nan 0.000 0.418 359 K N 1.182 121.468 120.400 -0.189 0.000 2.032 359 K HA -0.186 4.134 4.320 0.000 0.000 0.209 359 K C 2.336 178.777 176.600 -0.265 0.000 1.048 359 K CA 1.677 57.688 56.287 -0.459 0.000 0.927 359 K CB -0.347 31.493 32.500 -1.100 0.000 0.712 359 K HN 0.324 nan 8.250 nan 0.000 0.441 360 A N 1.536 124.370 122.820 0.023 0.000 1.892 360 A HA -0.222 4.098 4.320 0.000 0.000 0.218 360 A C 2.390 180.004 177.584 0.050 0.000 1.188 360 A CA 2.127 54.264 52.037 0.168 0.000 0.631 360 A CB -0.999 18.120 19.000 0.199 0.000 0.822 360 A HN 0.368 nan 8.150 nan 0.000 0.447 361 A N -0.099 122.727 122.820 0.010 0.000 1.884 361 A HA -0.288 4.032 4.320 0.000 0.000 0.219 361 A C 1.893 179.460 177.584 -0.029 0.000 1.197 361 A CA 1.990 54.020 52.037 -0.012 0.000 0.637 361 A CB -0.814 18.174 19.000 -0.020 0.000 0.827 361 A HN 0.671 nan 8.150 nan 0.000 0.450 362 E N -0.465 119.699 120.200 -0.061 0.000 2.209 362 E HA -0.162 4.188 4.350 0.000 0.000 0.196 362 E C 1.737 178.302 176.600 -0.057 0.000 0.993 362 E CA 1.350 57.706 56.400 -0.075 0.000 0.819 362 E CB -0.384 29.245 29.700 -0.118 0.000 0.745 362 E HN 0.951 nan 8.360 nan 0.000 0.477 363 I N -3.367 117.181 120.570 -0.036 0.000 3.883 363 I HA 0.318 4.488 4.170 0.000 0.000 0.326 363 I C 1.033 177.162 176.117 0.021 0.000 1.283 363 I CA 0.229 61.535 61.300 0.009 0.000 1.161 363 I CB 0.036 38.076 38.000 0.067 0.000 1.012 363 I HN -0.024 nan 8.210 nan 0.000 0.421 364 G N 2.353 111.159 108.800 0.010 0.000 2.350 364 G HA2 -0.214 3.746 3.960 0.000 0.000 0.298 364 G HA3 -0.214 3.746 3.960 0.000 0.000 0.298 364 G C 0.046 174.952 174.900 0.009 0.000 1.037 364 G CA 0.523 45.627 45.100 0.006 0.000 1.074 364 G HN 0.353 nan 8.290 nan 0.000 0.511 365 V N -0.070 119.855 119.914 0.019 0.000 3.596 365 V HA 0.701 4.821 4.120 0.000 0.000 0.288 365 V C 1.740 177.822 176.094 -0.019 0.000 1.021 365 V CA 0.867 63.170 62.300 0.004 0.000 1.020 365 V CB 1.723 33.565 31.823 0.032 0.000 1.243 365 V HN 1.138 nan 8.190 nan 0.000 0.433 366 S N -0.600 115.069 115.700 -0.052 0.000 2.540 366 S HA 0.517 4.987 4.470 0.000 0.000 0.222 366 S C 0.253 174.818 174.600 -0.059 0.000 1.008 366 S CA 0.397 58.566 58.200 -0.051 0.000 0.939 366 S CB 0.482 63.649 63.200 -0.054 0.000 0.865 366 S HN 1.532 nan 8.310 nan 0.000 0.499 367 G N -0.100 108.652 108.800 -0.080 0.000 2.451 367 G HA2 0.507 4.467 3.960 0.000 0.000 0.292 367 G HA3 0.507 4.467 3.960 0.000 0.000 0.292 367 G C -2.139 172.736 174.900 -0.042 0.000 1.427 367 G CA -0.283 44.795 45.100 -0.037 0.000 0.792 367 G HN 0.395 nan 8.290 nan 0.000 0.498 368 V N -0.858 119.083 119.914 0.046 0.000 3.040 368 V HA 0.768 4.888 4.120 0.000 0.000 0.312 368 V C -0.582 175.618 176.094 0.177 0.000 1.115 368 V CA -0.664 61.677 62.300 0.068 0.000 0.998 368 V CB 2.294 34.157 31.823 0.068 0.000 1.042 368 V HN 0.763 nan 8.190 nan 0.000 0.433 369 V N 4.984 125.007 119.914 0.182 0.000 2.495 369 V HA 0.466 4.586 4.120 0.000 0.000 0.298 369 V C -0.322 175.886 176.094 0.190 0.000 1.031 369 V CA -0.620 61.848 62.300 0.279 0.000 0.871 369 V CB 1.688 33.685 31.823 0.291 0.000 0.988 369 V HN 0.620 nan 8.190 nan 0.000 0.432 370 L N 4.628 125.960 121.223 0.181 0.000 2.342 370 L HA 0.568 4.908 4.340 0.000 0.000 0.285 370 L C 0.381 177.322 176.870 0.118 0.000 1.095 370 L CA 0.520 55.434 54.840 0.123 0.000 0.843 370 L CB 0.779 42.895 42.059 0.096 0.000 1.201 370 L HN 0.751 nan 8.230 nan 0.000 0.445 371 S N 2.993 118.751 115.700 0.098 0.000 2.588 371 S HA 0.480 4.950 4.470 0.000 0.000 0.275 371 S C -0.414 174.222 174.600 0.059 0.000 1.130 371 S CA -0.855 57.397 58.200 0.086 0.000 0.855 371 S CB 1.741 65.000 63.200 0.099 0.000 1.116 371 S HN 0.781 nan 8.310 nan 0.000 0.472 372 N N 1.600 120.328 118.700 0.046 0.000 2.536 372 N HA 0.146 4.886 4.740 0.000 0.000 0.286 372 N C -0.030 175.491 175.510 0.020 0.000 1.577 372 N CA -0.338 52.731 53.050 0.033 0.000 0.883 372 N CB 0.323 38.826 38.487 0.027 0.000 1.390 372 N HN 0.776 nan 8.380 nan 0.000 0.491 373 Q N 0.793 120.606 119.800 0.021 0.000 2.437 373 Q HA -0.216 4.124 4.340 0.000 0.000 0.274 373 Q C 0.608 176.595 176.000 -0.020 0.000 1.165 373 Q CA 0.997 56.800 55.803 -0.000 0.000 0.925 373 Q CB -1.681 27.057 28.738 0.001 0.000 1.327 373 Q HN 0.832 nan 8.270 nan 0.000 0.505 374 G N -1.610 107.195 108.800 0.009 0.000 2.246 374 G HA2 -0.055 3.905 3.960 0.000 0.000 0.273 374 G HA3 -0.055 3.905 3.960 0.000 0.000 0.273 374 G C 0.733 175.643 174.900 0.017 0.000 1.055 374 G CA 0.682 45.802 45.100 0.032 0.000 0.851 374 G HN 1.805 nan 8.290 nan 0.000 0.500 375 G N -1.556 107.246 108.800 0.003 0.000 2.176 375 G HA2 -0.269 3.691 3.960 0.000 0.000 0.252 375 G HA3 -0.269 3.691 3.960 0.000 0.000 0.252 375 G C 0.872 175.708 174.900 -0.106 0.000 1.024 375 G CA 1.186 46.268 45.100 -0.030 0.000 0.755 375 G HN 1.023 nan 8.290 nan 0.000 0.507 376 R N -1.187 119.255 120.500 -0.097 0.000 2.225 376 R HA 0.184 4.525 4.340 0.000 0.000 0.194 376 R C 2.447 178.700 176.300 -0.078 0.000 0.957 376 R CA 0.754 56.779 56.100 -0.126 0.000 1.042 376 R CB -0.096 30.111 30.300 -0.155 0.000 1.004 376 R HN 0.390 nan 8.270 nan 0.000 0.509 377 Q N 0.512 120.284 119.800 -0.047 0.000 1.909 377 Q HA 0.066 4.406 4.340 0.000 0.000 0.209 377 Q C 0.540 176.533 176.000 -0.012 0.000 0.974 377 Q CA 0.734 56.523 55.803 -0.024 0.000 0.851 377 Q CB -0.127 28.607 28.738 -0.007 0.000 0.904 377 Q HN 0.171 nan 8.270 nan 0.000 0.445 378 L N 2.632 123.857 121.223 0.003 0.000 2.295 378 L HA 0.290 4.630 4.340 0.000 0.000 0.281 378 L C -1.055 175.832 176.870 0.029 0.000 1.018 378 L CA -0.246 54.611 54.840 0.028 0.000 0.841 378 L CB 1.163 43.247 42.059 0.042 0.000 1.218 378 L HN 0.127 nan 8.230 nan 0.000 0.424 379 D N 4.976 125.395 120.400 0.032 0.000 2.325 379 D HA 0.220 4.860 4.640 0.000 0.000 0.251 379 D C -0.054 176.325 176.300 0.132 0.000 1.196 379 D CA 0.494 54.477 54.000 -0.029 0.000 0.866 379 D CB 0.356 41.129 40.800 -0.045 0.000 1.101 379 D HN 0.629 nan 8.370 nan 0.000 0.476 380 F N 0.136 120.093 119.950 0.012 0.000 1.240 380 F HA -0.205 4.322 4.527 0.000 0.000 0.287 380 F C 0.981 176.786 175.800 0.009 0.000 0.549 380 F CA -0.205 57.800 58.000 0.009 0.000 2.591 380 F CB -1.420 37.584 39.000 0.007 0.000 3.447 380 F HN 0.213 nan 8.300 nan 0.000 0.213 381 S N 1.076 116.839 115.700 0.105 0.000 2.569 381 S HA 0.311 4.781 4.470 0.000 0.000 0.274 381 S C 0.791 175.416 174.600 0.041 0.000 1.353 381 S CA -0.151 58.088 58.200 0.065 0.000 1.023 381 S CB 0.632 63.854 63.200 0.037 0.000 0.876 381 S HN 0.228 nan 8.310 nan 0.000 0.540 382 R N 0.791 121.311 120.500 0.034 0.000 2.577 382 R HA 0.457 4.797 4.340 0.000 0.000 0.269 382 R C 0.016 176.305 176.300 -0.019 0.000 1.084 382 R CA -0.449 55.660 56.100 0.015 0.000 1.163 382 R CB 0.452 30.764 30.300 0.020 0.000 1.100 382 R HN 0.668 nan 8.270 nan 0.000 0.547 383 A N 2.848 125.638 122.820 -0.049 0.000 2.404 383 A HA 0.206 4.526 4.320 0.000 0.000 0.273 383 A C -1.601 175.932 177.584 -0.084 0.000 1.144 383 A CA -1.406 50.577 52.037 -0.091 0.000 0.806 383 A CB 0.187 19.082 19.000 -0.175 0.000 1.080 383 A HN 0.463 nan 8.150 nan 0.000 0.509 384 P HA -0.208 nan 4.420 nan 0.000 0.217 384 P C 1.468 178.740 177.300 -0.046 0.000 1.148 384 P CA 0.831 63.922 63.100 -0.014 0.000 0.828 384 P CB 0.056 31.777 31.700 0.035 0.000 0.783 385 I N 0.800 121.271 120.570 -0.166 0.000 2.039 385 I HA -0.262 3.909 4.170 0.000 0.000 0.233 385 I C 2.304 178.339 176.117 -0.136 0.000 1.040 385 I CA 1.748 62.906 61.300 -0.236 0.000 1.308 385 I CB -1.167 36.419 38.000 -0.689 0.000 1.035 385 I HN -0.088 nan 8.210 nan 0.000 0.392 386 E N -0.345 119.769 120.200 -0.144 0.000 2.108 386 E HA -0.284 4.066 4.350 0.000 0.000 0.203 386 E C 2.181 178.759 176.600 -0.036 0.000 1.022 386 E CA 2.398 58.753 56.400 -0.076 0.000 0.823 386 E CB -0.238 29.422 29.700 -0.067 0.000 0.744 386 E HN 0.473 nan 8.360 nan 0.000 0.456 387 V N 1.592 121.490 119.914 -0.027 0.000 2.237 387 V HA -0.287 3.833 4.120 0.000 0.000 0.245 387 V C 2.422 178.519 176.094 0.006 0.000 1.046 387 V CA 1.671 63.971 62.300 -0.001 0.000 1.007 387 V CB -0.592 31.239 31.823 0.013 0.000 0.638 387 V HN 0.408 nan 8.190 nan 0.000 0.445 388 L N 0.070 121.298 121.223 0.009 0.000 2.051 388 L HA -0.281 4.059 4.340 0.000 0.000 0.214 388 L C 2.601 179.480 176.870 0.015 0.000 1.076 388 L CA 2.420 57.272 54.840 0.020 0.000 0.758 388 L CB -0.803 41.277 42.059 0.035 0.000 0.890 388 L HN 0.429 nan 8.230 nan 0.000 0.433 389 A N 0.155 122.978 122.820 0.006 0.000 1.873 389 A HA -0.312 4.008 4.320 0.000 0.000 0.218 389 A C 2.170 179.759 177.584 0.008 0.000 1.193 389 A CA 2.094 54.136 52.037 0.008 0.000 0.629 389 A CB -0.745 18.255 19.000 0.000 0.000 0.826 389 A HN 0.692 nan 8.150 nan 0.000 0.447 390 E N -0.879 119.324 120.200 0.005 0.000 2.150 390 E HA -0.149 4.201 4.350 0.000 0.000 0.193 390 E C 1.707 178.312 176.600 0.008 0.000 0.985 390 E CA 1.652 58.056 56.400 0.006 0.000 0.814 390 E CB -0.280 29.424 29.700 0.006 0.000 0.752 390 E HN 0.537 nan 8.360 nan 0.000 0.466 391 T N 0.548 115.108 114.554 0.010 0.000 2.852 391 T HA -0.051 4.299 4.350 0.000 0.000 0.256 391 T C 1.677 176.381 174.700 0.008 0.000 1.038 391 T CA 0.994 63.100 62.100 0.011 0.000 1.141 391 T CB -0.180 68.698 68.868 0.016 0.000 0.869 391 T HN 0.062 nan 8.240 nan 0.000 0.439 392 M N 1.977 121.582 119.600 0.008 0.000 2.106 392 M HA -0.033 4.447 4.480 0.000 0.000 0.259 392 M C -0.928 175.374 176.300 0.003 0.000 1.068 392 M CA 1.217 56.520 55.300 0.004 0.000 1.100 392 M CB -1.120 31.485 32.600 0.007 0.000 1.351 392 M HN 0.129 nan 8.290 nan 0.000 0.404 393 P HA -0.125 nan 4.420 nan 0.000 0.218 393 P C 1.637 178.939 177.300 0.002 0.000 1.149 393 P CA 1.461 64.564 63.100 0.005 0.000 0.817 393 P CB -0.380 31.325 31.700 0.008 0.000 0.785 394 I N -0.317 120.254 120.570 0.002 0.000 2.163 394 I HA -0.239 3.931 4.170 0.000 0.000 0.243 394 I C 2.711 178.826 176.117 -0.003 0.000 1.085 394 I CA 1.401 62.701 61.300 -0.001 0.000 1.347 394 I CB -1.187 36.813 38.000 0.000 0.000 1.044 394 I HN -0.088 nan 8.210 nan 0.000 0.408 395 L N 0.523 121.744 121.223 -0.003 0.000 2.051 395 L HA -0.272 4.069 4.340 0.000 0.000 0.214 395 L C 2.599 179.465 176.870 -0.007 0.000 1.076 395 L CA 1.643 56.479 54.840 -0.007 0.000 0.758 395 L CB -0.593 41.461 42.059 -0.008 0.000 0.890 395 L HN 0.297 nan 8.230 nan 0.000 0.433 396 E N 0.259 120.457 120.200 -0.004 0.000 2.021 396 E HA -0.280 4.070 4.350 0.000 0.000 0.200 396 E C 2.083 178.681 176.600 -0.004 0.000 1.015 396 E CA 1.589 57.987 56.400 -0.003 0.000 0.824 396 E CB -0.093 29.607 29.700 -0.000 0.000 0.762 396 E HN 0.419 nan 8.360 nan 0.000 0.454 397 Q N -0.203 119.595 119.800 -0.003 0.000 2.561 397 Q HA -0.062 4.278 4.340 0.000 0.000 0.217 397 Q C 0.309 176.305 176.000 -0.007 0.000 0.980 397 Q CA 0.522 56.322 55.803 -0.004 0.000 0.927 397 Q CB 0.146 28.882 28.738 -0.003 0.000 0.980 397 Q HN 0.123 nan 8.270 nan 0.000 0.525 398 R N 0.558 121.053 120.500 -0.009 0.000 2.893 398 R HA 0.122 4.462 4.340 0.000 0.000 0.317 398 R C -0.244 176.049 176.300 -0.012 0.000 1.239 398 R CA -0.437 55.656 56.100 -0.012 0.000 1.128 398 R CB -0.648 29.643 30.300 -0.016 0.000 1.377 398 R HN 0.075 nan 8.270 nan 0.000 0.583 399 N N 2.123 120.818 118.700 -0.009 0.000 2.885 399 N HA -0.191 4.549 4.740 0.000 0.000 0.290 399 N C -0.392 175.112 175.510 -0.010 0.000 1.013 399 N CA 0.431 53.476 53.050 -0.008 0.000 0.851 399 N CB -0.318 38.166 38.487 -0.007 0.000 0.945 399 N HN 0.390 nan 8.380 nan 0.000 0.600 400 L N -1.539 119.677 121.223 -0.011 0.000 3.291 400 L HA 0.459 4.799 4.340 0.000 0.000 0.307 400 L C 1.302 178.165 176.870 -0.013 0.000 1.303 400 L CA -0.532 54.300 54.840 -0.013 0.000 0.949 400 L CB 0.111 42.160 42.059 -0.016 0.000 1.375 400 L HN -0.048 nan 8.230 nan 0.000 0.596 401 K N 1.129 121.523 120.400 -0.010 0.000 1.972 401 K HA -0.138 4.182 4.320 0.000 0.000 0.227 401 K C 0.318 176.909 176.600 -0.015 0.000 1.046 401 K CA 2.295 58.575 56.287 -0.010 0.000 1.013 401 K CB 0.035 32.531 32.500 -0.007 0.000 0.741 401 K HN 0.516 nan 8.250 nan 0.000 0.446 402 D N 0.441 120.833 120.400 -0.013 0.000 2.358 402 D HA 0.012 4.652 4.640 0.000 0.000 0.224 402 D C 0.966 177.255 176.300 -0.018 0.000 1.123 402 D CA 0.079 54.068 54.000 -0.017 0.000 0.833 402 D CB 0.351 41.144 40.800 -0.011 0.000 0.946 402 D HN 0.046 nan 8.370 nan 0.000 0.505 403 K N 0.198 120.589 120.400 -0.016 0.000 2.589 403 K HA -0.033 4.287 4.320 0.000 0.000 0.195 403 K C -0.086 176.502 176.600 -0.019 0.000 1.040 403 K CA 0.400 56.678 56.287 -0.015 0.000 0.950 403 K CB 0.036 32.528 32.500 -0.014 0.000 0.781 403 K HN 0.046 nan 8.250 nan 0.000 0.486 404 L N -0.065 121.141 121.223 -0.029 0.000 2.751 404 L HA 0.199 4.539 4.340 0.000 0.000 0.261 404 L C -1.561 175.265 176.870 -0.073 0.000 0.927 404 L CA -0.254 54.563 54.840 -0.039 0.000 0.968 404 L CB 1.872 43.913 42.059 -0.030 0.000 1.432 404 L HN -0.060 nan 8.230 nan 0.000 0.439 405 E N 3.348 123.495 120.200 -0.089 0.000 2.194 405 E HA 0.456 4.806 4.350 0.000 0.000 0.284 405 E C -0.971 175.412 176.600 -0.361 0.000 1.035 405 E CA -0.526 55.747 56.400 -0.211 0.000 0.836 405 E CB 2.029 31.631 29.700 -0.163 0.000 1.070 405 E HN 0.336 nan 8.360 nan 0.000 0.401 406 V N 5.431 125.080 119.914 -0.441 0.000 2.394 406 V HA 0.271 4.391 4.120 0.000 0.000 0.282 406 V C -0.376 175.403 176.094 -0.525 0.000 1.031 406 V CA -0.163 61.920 62.300 -0.363 0.000 0.881 406 V CB 0.190 31.921 31.823 -0.154 0.000 0.982 406 V HN 0.521 nan 8.190 nan 0.000 0.451 407 F N 3.940 123.954 119.950 0.107 0.000 2.561 407 F HA 0.823 5.350 4.527 0.000 0.000 0.384 407 F C 0.260 176.178 175.800 0.196 0.000 1.131 407 F CA -0.731 57.386 58.000 0.194 0.000 1.133 407 F CB 1.315 40.469 39.000 0.257 0.000 1.506 407 F HN 0.167 nan 8.300 nan 0.000 0.499 408 V N 0.205 120.407 119.914 0.480 0.000 2.971 408 V HA 0.310 4.430 4.120 0.000 0.000 0.281 408 V C -1.735 174.512 176.094 0.256 0.000 1.470 408 V CA -0.746 61.730 62.300 0.294 0.000 0.966 408 V CB 2.007 33.979 31.823 0.249 0.000 1.156 408 V HN 0.884 nan 8.190 nan 0.000 0.441 409 D N 2.709 123.222 120.400 0.189 0.000 2.798 409 D HA 0.767 5.407 4.640 0.000 0.000 0.308 409 D C -0.001 176.375 176.300 0.126 0.000 1.187 409 D CA 0.036 54.115 54.000 0.131 0.000 1.033 409 D CB 1.777 42.641 40.800 0.106 0.000 1.445 409 D HN 1.797 nan 8.370 nan 0.000 0.550 410 G N -1.691 107.164 108.800 0.092 0.000 3.405 410 G HA2 0.432 4.392 3.960 0.000 0.000 0.676 410 G HA3 0.432 4.392 3.960 0.000 0.000 0.676 410 G C 0.856 175.853 174.900 0.162 0.000 1.039 410 G CA 0.587 45.749 45.100 0.102 0.000 0.855 410 G HN 1.842 nan 8.290 nan 0.000 0.443 411 G N -0.569 108.305 108.800 0.123 0.000 2.176 411 G HA2 -0.013 3.947 3.960 0.000 0.000 0.253 411 G HA3 -0.013 3.947 3.960 0.000 0.000 0.253 411 G C 0.714 175.742 174.900 0.213 0.000 0.979 411 G CA 0.541 45.743 45.100 0.170 0.000 0.641 411 G HN 1.942 nan 8.290 nan 0.000 0.530 412 V N 0.828 120.804 119.914 0.103 0.000 2.470 412 V HA 0.430 4.550 4.120 0.000 0.000 0.276 412 V C 1.450 177.446 176.094 -0.162 0.000 1.040 412 V CA 0.911 63.167 62.300 -0.074 0.000 1.008 412 V CB 1.189 32.936 31.823 -0.127 0.000 0.990 412 V HN 0.456 nan 8.190 nan 0.000 0.477 413 R N 3.290 123.691 120.500 -0.165 0.000 2.507 413 R HA 0.317 4.657 4.340 0.000 0.000 0.230 413 R C 0.282 176.416 176.300 -0.277 0.000 0.897 413 R CA -0.280 55.648 56.100 -0.286 0.000 1.006 413 R CB 0.772 30.817 30.300 -0.423 0.000 1.341 413 R HN 0.453 nan 8.270 nan 0.000 0.604 414 R N -1.004 119.393 120.500 -0.171 0.000 2.795 414 R HA 0.301 4.641 4.340 0.000 0.000 0.275 414 R C 0.645 176.856 176.300 -0.148 0.000 0.981 414 R CA -0.436 55.582 56.100 -0.137 0.000 0.917 414 R CB 1.392 31.670 30.300 -0.036 0.000 1.202 414 R HN 0.116 nan 8.270 nan 0.000 0.469 415 G N 0.149 108.882 108.800 -0.111 0.000 2.462 415 G HA2 -0.251 3.709 3.960 0.000 0.000 0.220 415 G HA3 -0.251 3.709 3.960 0.000 0.000 0.220 415 G C 0.961 175.842 174.900 -0.032 0.000 1.121 415 G CA 1.459 46.511 45.100 -0.081 0.000 0.758 415 G HN 0.640 nan 8.290 nan 0.000 0.559 416 T N 1.104 115.660 114.554 0.003 0.000 2.720 416 T HA -0.137 4.214 4.350 0.000 0.000 0.268 416 T C 1.808 176.534 174.700 0.043 0.000 1.037 416 T CA 1.441 63.620 62.100 0.133 0.000 1.144 416 T CB -0.302 68.660 68.868 0.155 0.000 0.864 416 T HN 0.240 nan 8.240 nan 0.000 0.444 417 D N 1.563 121.865 120.400 -0.163 0.000 2.137 417 D HA -0.109 4.531 4.640 0.000 0.000 0.189 417 D C 2.368 178.483 176.300 -0.309 0.000 0.998 417 D CA 1.072 54.777 54.000 -0.491 0.000 0.839 417 D CB -0.953 39.357 40.800 -0.817 0.000 0.962 417 D HN 0.266 nan 8.370 nan 0.000 0.446 418 V N 1.210 121.003 119.914 -0.202 0.000 2.380 418 V HA -0.242 3.878 4.120 0.000 0.000 0.251 418 V C 2.687 178.813 176.094 0.054 0.000 1.063 418 V CA 1.212 63.480 62.300 -0.053 0.000 1.055 418 V CB -0.556 31.258 31.823 -0.015 0.000 0.657 418 V HN 0.204 nan 8.190 nan 0.000 0.455 419 L N -0.459 120.808 121.223 0.072 0.000 2.017 419 L HA -0.185 4.155 4.340 0.000 0.000 0.208 419 L C 2.686 179.666 176.870 0.185 0.000 1.073 419 L CA 1.721 56.645 54.840 0.139 0.000 0.745 419 L CB -0.622 41.542 42.059 0.175 0.000 0.894 419 L HN 0.331 nan 8.230 nan 0.000 0.432 420 K N 0.201 120.714 120.400 0.188 0.000 2.063 420 K HA -0.177 4.143 4.320 0.000 0.000 0.208 420 K C 2.169 178.883 176.600 0.190 0.000 1.048 420 K CA 1.560 57.958 56.287 0.184 0.000 0.928 420 K CB -0.380 32.182 32.500 0.104 0.000 0.713 420 K HN 0.287 nan 8.250 nan 0.000 0.442 421 A N 1.773 124.716 122.820 0.206 0.000 1.930 421 A HA -0.083 4.237 4.320 0.000 0.000 0.217 421 A C 2.232 179.902 177.584 0.145 0.000 1.175 421 A CA 1.023 53.185 52.037 0.208 0.000 0.627 421 A CB -0.586 18.553 19.000 0.232 0.000 0.815 421 A HN 0.138 nan 8.150 nan 0.000 0.443 422 L N -0.503 120.802 121.223 0.136 0.000 1.989 422 L HA -0.273 4.067 4.340 0.000 0.000 0.211 422 L C 2.625 179.552 176.870 0.095 0.000 1.071 422 L CA 1.595 56.501 54.840 0.109 0.000 0.749 422 L CB -0.817 41.308 42.059 0.110 0.000 0.890 422 L HN 0.492 nan 8.230 nan 0.000 0.431 423 C N -0.304 119.063 119.300 0.112 0.000 2.409 423 C HA -0.123 4.337 4.460 0.000 0.000 0.288 423 C C 2.601 177.641 174.990 0.083 0.000 1.395 423 C CA 0.288 59.365 59.018 0.098 0.000 1.792 423 C CB -1.173 26.641 27.740 0.124 0.000 1.847 423 C HN 0.453 nan 8.230 nan 0.000 0.534 424 L N 0.264 121.540 121.223 0.089 0.000 2.418 424 L HA 0.175 4.515 4.340 0.000 0.000 0.218 424 L C 2.001 178.901 176.870 0.050 0.000 1.125 424 L CA 1.294 56.176 54.840 0.070 0.000 0.835 424 L CB -0.107 41.999 42.059 0.077 0.000 0.953 424 L HN 0.565 nan 8.230 nan 0.000 0.454 425 G N -1.282 107.545 108.800 0.045 0.000 2.370 425 G HA2 -0.130 3.830 3.960 0.000 0.000 0.174 425 G HA3 -0.130 3.830 3.960 0.000 0.000 0.174 425 G C 0.281 175.180 174.900 -0.001 0.000 1.002 425 G CA -0.182 44.928 45.100 0.017 0.000 0.730 425 G HN 0.349 nan 8.290 nan 0.000 0.497 426 A N 0.412 123.247 122.820 0.025 0.000 2.440 426 A HA 0.675 4.995 4.320 0.000 0.000 0.251 426 A C 1.303 178.852 177.584 -0.057 0.000 1.089 426 A CA 0.980 53.013 52.037 -0.007 0.000 0.779 426 A CB 0.743 19.785 19.000 0.071 0.000 1.022 426 A HN 0.226 nan 8.150 nan 0.000 0.492 427 K N 1.136 121.397 120.400 -0.232 0.000 2.280 427 K HA 0.061 4.382 4.320 0.000 0.000 0.202 427 K C 0.693 177.294 176.600 0.002 0.000 1.047 427 K CA 1.430 57.582 56.287 -0.224 0.000 0.942 427 K CB -0.135 32.030 32.500 -0.559 0.000 0.739 427 K HN 1.058 nan 8.250 nan 0.000 0.457 428 G N -1.375 107.524 108.800 0.164 0.000 2.616 428 G HA2 0.420 4.380 3.960 0.000 0.000 0.294 428 G HA3 0.420 4.380 3.960 0.000 0.000 0.294 428 G C -1.968 173.354 174.900 0.704 0.000 1.489 428 G CA -0.246 45.232 45.100 0.629 0.000 0.836 428 G HN 0.167 nan 8.290 nan 0.000 0.527 429 V N 0.105 120.326 119.914 0.511 0.000 2.914 429 V HA 0.996 5.116 4.120 0.000 0.000 0.314 429 V C 0.168 176.123 176.094 -0.232 0.000 1.084 429 V CA 0.085 62.552 62.300 0.278 0.000 0.963 429 V CB 2.017 33.961 31.823 0.201 0.000 1.025 429 V HN 1.650 nan 8.190 nan 0.000 0.432 430 G N 4.746 113.271 108.800 -0.458 0.000 2.372 430 G HA2 0.652 4.612 3.960 0.000 0.000 0.323 430 G HA3 0.652 4.612 3.960 0.000 0.000 0.323 430 G C -1.232 173.479 174.900 -0.315 0.000 1.152 430 G CA -0.693 43.809 45.100 -0.996 0.000 0.906 430 G HN 0.832 nan 8.290 nan 0.000 0.460 431 L N 1.593 122.719 121.223 -0.162 0.000 2.344 431 L HA 0.694 5.034 4.340 0.000 0.000 0.272 431 L C 1.352 178.253 176.870 0.051 0.000 1.035 431 L CA -0.160 54.674 54.840 -0.009 0.000 0.807 431 L CB 2.105 44.219 42.059 0.091 0.000 1.237 431 L HN 0.655 nan 8.230 nan 0.000 0.442 432 G N 0.017 108.808 108.800 -0.015 0.000 2.621 432 G HA2 0.083 4.043 3.960 0.000 0.000 0.209 432 G HA3 0.083 4.043 3.960 0.000 0.000 0.209 432 G C 1.334 176.131 174.900 -0.172 0.000 1.379 432 G CA -0.158 44.897 45.100 -0.075 0.000 0.766 432 G HN 0.522 nan 8.290 nan 0.000 0.599 433 R N 1.177 121.531 120.500 -0.244 0.000 2.073 433 R HA -0.046 4.294 4.340 0.000 0.000 0.234 433 R C -0.310 175.707 176.300 -0.471 0.000 1.134 433 R CA 1.662 57.460 56.100 -0.502 0.000 0.952 433 R CB -1.159 28.840 30.300 -0.502 0.000 0.850 433 R HN 0.288 nan 8.270 nan 0.000 0.433 434 P HA -0.170 nan 4.420 nan 0.000 0.217 434 P C 0.775 177.825 177.300 -0.417 0.000 1.148 434 P CA 1.466 64.416 63.100 -0.249 0.000 0.828 434 P CB -0.062 31.386 31.700 -0.421 0.000 0.783 435 F N -1.705 118.104 119.950 -0.235 0.000 2.335 435 F HA 0.038 4.565 4.527 0.000 0.000 0.296 435 F C 2.456 178.090 175.800 -0.276 0.000 1.091 435 F CA 0.504 58.358 58.000 -0.243 0.000 1.399 435 F CB -1.080 37.809 39.000 -0.186 0.000 1.067 435 F HN -0.229 nan 8.300 nan 0.000 0.520 436 L N -0.879 120.229 121.223 -0.193 0.000 1.990 436 L HA -0.301 4.039 4.340 0.000 0.000 0.213 436 L C 2.417 179.149 176.870 -0.230 0.000 1.072 436 L CA 1.900 56.518 54.840 -0.370 0.000 0.755 436 L CB -0.687 40.923 42.059 -0.749 0.000 0.889 436 L HN 0.177 nan 8.230 nan 0.000 0.432 437 Y N -0.682 119.563 120.300 -0.092 0.000 2.220 437 Y HA -0.127 4.423 4.550 0.000 0.000 0.291 437 Y C 2.570 178.454 175.900 -0.027 0.000 1.129 437 Y CA 0.670 58.797 58.100 0.045 0.000 1.161 437 Y CB -1.134 37.429 38.460 0.173 0.000 0.997 437 Y HN 0.153 nan 8.280 nan 0.000 0.522 438 A N 0.645 123.365 122.820 -0.167 0.000 1.859 438 A HA -0.382 3.938 4.320 0.000 0.000 0.218 438 A C 2.172 179.628 177.584 -0.213 0.000 1.209 438 A CA 2.526 54.144 52.037 -0.698 0.000 0.639 438 A CB -1.474 16.773 19.000 -1.256 0.000 0.835 438 A HN 0.636 nan 8.150 nan 0.000 0.450 439 N N -1.015 117.613 118.700 -0.120 0.000 2.018 439 N HA -0.186 4.554 4.740 0.000 0.000 0.196 439 N C 1.996 177.528 175.510 0.038 0.000 1.043 439 N CA 1.737 54.775 53.050 -0.019 0.000 0.856 439 N CB -0.166 38.309 38.487 -0.019 0.000 1.042 439 N HN 0.410 nan 8.380 nan 0.000 0.423 440 S N -0.240 115.498 115.700 0.064 0.000 2.378 440 S HA -0.235 4.235 4.470 0.000 0.000 0.229 440 S C 2.142 176.791 174.600 0.083 0.000 1.052 440 S CA 1.509 59.784 58.200 0.124 0.000 1.084 440 S CB -0.492 62.858 63.200 0.251 0.000 0.950 440 S HN 0.565 nan 8.310 nan 0.000 0.440 441 C N -1.377 117.972 119.300 0.082 0.000 2.492 441 C HA 0.146 4.606 4.460 0.000 0.000 0.279 441 C C 1.950 176.824 174.990 -0.193 0.000 1.335 441 C CA 0.040 59.009 59.018 -0.081 0.000 1.734 441 C CB -1.148 26.529 27.740 -0.104 0.000 2.027 441 C HN 0.656 nan 8.230 nan 0.000 0.496 442 Y N 0.173 120.509 120.300 0.061 0.000 2.471 442 Y HA 0.386 4.936 4.550 0.000 0.000 0.249 442 Y C 1.628 177.546 175.900 0.030 0.000 1.116 442 Y CA 0.556 58.693 58.100 0.061 0.000 1.240 442 Y CB 0.125 38.652 38.460 0.111 0.000 1.251 442 Y HN 0.409 nan 8.280 nan 0.000 0.527 443 G N 1.422 110.303 108.800 0.135 0.000 2.698 443 G HA2 -0.379 3.581 3.960 0.000 0.000 0.233 443 G HA3 -0.379 3.581 3.960 0.000 0.000 0.233 443 G C 0.661 175.604 174.900 0.072 0.000 1.352 443 G CA 0.109 45.259 45.100 0.084 0.000 0.879 443 G HN 0.431 nan 8.290 nan 0.000 0.567 444 R N -0.067 120.463 120.500 0.050 0.000 2.117 444 R HA -0.110 4.230 4.340 0.000 0.000 0.243 444 R C 2.050 178.374 176.300 0.039 0.000 1.143 444 R CA 2.196 58.316 56.100 0.033 0.000 0.968 444 R CB -0.523 29.791 30.300 0.023 0.000 0.863 444 R HN 0.456 nan 8.270 nan 0.000 0.444 445 N N 0.755 119.488 118.700 0.056 0.000 2.171 445 N HA -0.064 4.676 4.740 0.000 0.000 0.184 445 N C 2.029 177.562 175.510 0.038 0.000 1.021 445 N CA 1.396 54.475 53.050 0.048 0.000 0.854 445 N CB -0.853 37.663 38.487 0.049 0.000 0.994 445 N HN 0.426 nan 8.380 nan 0.000 0.426 446 G N 1.924 110.768 108.800 0.074 0.000 2.830 446 G HA2 -0.346 3.614 3.960 0.000 0.000 0.230 446 G HA3 -0.346 3.614 3.960 0.000 0.000 0.230 446 G C 1.660 176.502 174.900 -0.096 0.000 1.172 446 G CA 1.875 46.981 45.100 0.009 0.000 0.764 446 G HN 0.253 nan 8.290 nan 0.000 0.640 447 V N 0.383 120.284 119.914 -0.023 0.000 2.270 447 V HA -0.128 3.992 4.120 0.000 0.000 0.245 447 V C 2.631 178.790 176.094 0.109 0.000 1.043 447 V CA 2.303 64.629 62.300 0.044 0.000 1.014 447 V CB -0.496 31.371 31.823 0.073 0.000 0.645 447 V HN 0.514 nan 8.190 nan 0.000 0.447 448 E N 0.068 120.312 120.200 0.073 0.000 2.058 448 E HA -0.324 4.026 4.350 0.000 0.000 0.194 448 E C 2.264 178.925 176.600 0.102 0.000 0.997 448 E CA 1.742 58.193 56.400 0.084 0.000 0.801 448 E CB -0.064 29.665 29.700 0.048 0.000 0.746 448 E HN 0.376 nan 8.360 nan 0.000 0.450 449 K N 1.001 121.449 120.400 0.080 0.000 2.020 449 K HA -0.176 4.144 4.320 0.000 0.000 0.212 449 K C 1.797 178.491 176.600 0.157 0.000 1.050 449 K CA 1.800 58.150 56.287 0.104 0.000 0.929 449 K CB -0.803 31.759 32.500 0.104 0.000 0.714 449 K HN 0.132 nan 8.250 nan 0.000 0.443 450 A N 1.637 124.556 122.820 0.166 0.000 1.870 450 A HA -0.249 4.071 4.320 0.000 0.000 0.219 450 A C 2.206 179.874 177.584 0.139 0.000 1.224 450 A CA 2.433 54.538 52.037 0.113 0.000 0.650 450 A CB -1.037 17.871 19.000 -0.153 0.000 0.836 450 A HN 0.410 nan 8.150 nan 0.000 0.454 451 I N -0.850 119.888 120.570 0.281 0.000 2.093 451 I HA -0.388 3.782 4.170 0.000 0.000 0.239 451 I C 2.530 178.812 176.117 0.274 0.000 1.026 451 I CA 2.554 64.090 61.300 0.393 0.000 1.295 451 I CB -1.387 36.796 38.000 0.305 0.000 1.007 451 I HN 0.547 nan 8.210 nan 0.000 0.401 452 E N 1.242 121.544 120.200 0.169 0.000 2.065 452 E HA -0.236 4.114 4.350 0.000 0.000 0.201 452 E C 2.243 178.894 176.600 0.086 0.000 1.016 452 E CA 1.880 58.346 56.400 0.109 0.000 0.818 452 E CB -0.095 29.652 29.700 0.077 0.000 0.749 452 E HN 0.424 nan 8.360 nan 0.000 0.453 453 I N 0.148 120.759 120.570 0.069 0.000 2.208 453 I HA -0.255 3.915 4.170 0.000 0.000 0.245 453 I C 2.400 178.525 176.117 0.012 0.000 1.097 453 I CA 0.807 62.121 61.300 0.023 0.000 1.363 453 I CB -0.496 37.506 38.000 0.003 0.000 1.051 453 I HN 0.281 nan 8.210 nan 0.000 0.413 454 L N 0.978 122.219 121.223 0.030 0.000 2.034 454 L HA -0.105 4.236 4.340 0.000 0.000 0.203 454 L C 2.759 179.682 176.870 0.087 0.000 1.074 454 L CA 1.578 56.400 54.840 -0.031 0.000 0.748 454 L CB -0.828 41.081 42.059 -0.250 0.000 0.905 454 L HN 0.077 nan 8.230 nan 0.000 0.439 455 R N -0.277 120.373 120.500 0.250 0.000 2.140 455 R HA -0.250 4.090 4.340 0.000 0.000 0.250 455 R C 1.757 178.122 176.300 0.108 0.000 1.150 455 R CA 2.335 58.567 56.100 0.221 0.000 0.966 455 R CB -0.561 29.853 30.300 0.190 0.000 0.869 455 R HN 0.478 nan 8.270 nan 0.000 0.445 456 D N 0.310 120.753 120.400 0.071 0.000 2.097 456 D HA -0.151 4.489 4.640 0.000 0.000 0.195 456 D C 1.835 178.147 176.300 0.021 0.000 0.989 456 D CA 1.378 55.400 54.000 0.036 0.000 0.827 456 D CB -0.413 40.401 40.800 0.023 0.000 0.966 456 D HN 0.466 nan 8.370 nan 0.000 0.456 457 E N 0.353 120.559 120.200 0.010 0.000 2.171 457 E HA -0.155 4.195 4.350 0.000 0.000 0.197 457 E C 2.307 178.908 176.600 0.003 0.000 0.997 457 E CA 0.605 57.001 56.400 -0.006 0.000 0.810 457 E CB -0.026 29.657 29.700 -0.030 0.000 0.738 457 E HN 0.382 nan 8.360 nan 0.000 0.467 458 I N 0.875 121.463 120.570 0.031 0.000 2.235 458 I HA -0.187 3.983 4.170 0.000 0.000 0.241 458 I C 2.442 178.571 176.117 0.020 0.000 1.085 458 I CA 0.918 62.242 61.300 0.039 0.000 1.378 458 I CB -0.420 37.641 38.000 0.101 0.000 1.076 458 I HN 0.080 nan 8.210 nan 0.000 0.415 459 E N 0.686 120.903 120.200 0.029 0.000 2.049 459 E HA -0.267 4.083 4.350 0.000 0.000 0.198 459 E C 2.322 178.919 176.600 -0.006 0.000 1.007 459 E CA 1.494 57.904 56.400 0.016 0.000 0.809 459 E CB -0.102 29.613 29.700 0.024 0.000 0.749 459 E HN 0.329 nan 8.360 nan 0.000 0.450 460 M N 0.415 120.010 119.600 -0.009 0.000 2.088 460 M HA -0.198 4.282 4.480 0.000 0.000 0.256 460 M C 2.389 178.663 176.300 -0.043 0.000 1.071 460 M CA 1.629 56.917 55.300 -0.021 0.000 1.097 460 M CB -0.558 32.033 32.600 -0.014 0.000 1.315 460 M HN 0.023 nan 8.290 nan 0.000 0.406 461 S N -0.131 115.538 115.700 -0.052 0.000 2.395 461 S HA -0.065 4.405 4.470 0.000 0.000 0.225 461 S C 1.785 176.305 174.600 -0.134 0.000 1.027 461 S CA 0.899 59.035 58.200 -0.106 0.000 0.965 461 S CB -0.244 62.896 63.200 -0.101 0.000 0.812 461 S HN 0.460 nan 8.310 nan 0.000 0.482 462 M N 1.329 120.879 119.600 -0.082 0.000 2.144 462 M HA -0.201 4.279 4.480 0.000 0.000 0.260 462 M C 2.220 178.476 176.300 -0.073 0.000 1.067 462 M CA 1.413 56.668 55.300 -0.074 0.000 1.095 462 M CB -0.058 32.526 32.600 -0.026 0.000 1.365 462 M HN 0.173 nan 8.290 nan 0.000 0.406 463 R N -0.202 120.263 120.500 -0.057 0.000 2.070 463 R HA -0.150 4.190 4.340 0.000 0.000 0.233 463 R C 1.800 178.059 176.300 -0.067 0.000 1.137 463 R CA 1.485 57.556 56.100 -0.049 0.000 0.945 463 R CB -0.348 29.932 30.300 -0.034 0.000 0.845 463 R HN 0.281 nan 8.270 nan 0.000 0.430 464 L N 0.719 121.890 121.223 -0.088 0.000 2.450 464 L HA -0.071 4.269 4.340 0.000 0.000 0.224 464 L C 1.809 178.600 176.870 -0.130 0.000 1.149 464 L CA 1.250 56.032 54.840 -0.096 0.000 0.816 464 L CB -0.364 41.641 42.059 -0.090 0.000 0.932 464 L HN 0.296 nan 8.230 nan 0.000 0.449 465 L N -1.141 119.983 121.223 -0.165 0.000 2.529 465 L HA 0.214 4.555 4.340 0.000 0.000 0.223 465 L C 1.062 177.869 176.870 -0.104 0.000 1.113 465 L CA 0.674 55.395 54.840 -0.199 0.000 0.861 465 L CB 0.039 41.928 42.059 -0.283 0.000 1.012 465 L HN 0.465 nan 8.230 nan 0.000 0.461 466 G N 0.792 109.549 108.800 -0.073 0.000 2.165 466 G HA2 -0.194 3.766 3.960 0.000 0.000 0.226 466 G HA3 -0.194 3.766 3.960 0.000 0.000 0.226 466 G C -0.204 174.677 174.900 -0.032 0.000 1.035 466 G CA 0.168 45.243 45.100 -0.041 0.000 0.744 466 G HN 0.393 nan 8.290 nan 0.000 0.501 467 V N -3.793 116.099 119.914 -0.037 0.000 3.114 467 V HA 0.938 5.059 4.120 0.000 0.000 0.308 467 V C 0.629 176.716 176.094 -0.012 0.000 1.168 467 V CA 0.274 62.563 62.300 -0.019 0.000 1.015 467 V CB 1.642 33.458 31.823 -0.013 0.000 1.050 467 V HN 0.871 nan 8.190 nan 0.000 0.433 468 T N -1.833 112.720 114.554 -0.002 0.000 3.003 468 T HA 0.431 4.781 4.350 0.000 0.000 0.261 468 T C 0.596 175.301 174.700 0.008 0.000 1.003 468 T CA 0.534 62.635 62.100 0.001 0.000 0.917 468 T CB -0.205 68.665 68.868 0.003 0.000 1.084 468 T HN 1.534 nan 8.240 nan 0.000 0.522 469 S N -0.535 115.172 115.700 0.011 0.000 2.638 469 S HA 0.625 5.095 4.470 0.000 0.000 0.274 469 S C 0.583 175.196 174.600 0.021 0.000 1.157 469 S CA -0.953 57.257 58.200 0.017 0.000 0.826 469 S CB 0.885 64.098 63.200 0.021 0.000 1.139 469 S HN -0.014 nan 8.310 nan 0.000 0.474 470 I N 1.120 121.705 120.570 0.025 0.000 2.335 470 I HA -0.132 4.038 4.170 0.000 0.000 0.251 470 I C 2.633 178.769 176.117 0.031 0.000 1.129 470 I CA 1.762 63.081 61.300 0.031 0.000 1.402 470 I CB -0.456 37.564 38.000 0.033 0.000 1.069 470 I HN 0.884 nan 8.210 nan 0.000 0.424 471 A N -0.134 122.702 122.820 0.027 0.000 2.248 471 A HA -0.114 4.207 4.320 0.000 0.000 0.210 471 A C 1.634 179.233 177.584 0.025 0.000 1.174 471 A CA 0.955 53.008 52.037 0.026 0.000 0.750 471 A CB -0.567 18.448 19.000 0.024 0.000 0.780 471 A HN 0.488 nan 8.150 nan 0.000 0.478 472 E N -0.414 119.801 120.200 0.024 0.000 2.451 472 E HA 0.287 4.637 4.350 0.000 0.000 0.194 472 E C -0.544 176.072 176.600 0.027 0.000 1.027 472 E CA -0.262 56.151 56.400 0.022 0.000 0.914 472 E CB 0.225 29.934 29.700 0.016 0.000 1.054 472 E HN 0.529 nan 8.360 nan 0.000 0.461 473 L N 1.808 123.052 121.223 0.035 0.000 2.334 473 L HA 0.439 4.779 4.340 0.000 0.000 0.277 473 L C -0.051 176.850 176.870 0.051 0.000 1.075 473 L CA -0.127 54.742 54.840 0.048 0.000 0.804 473 L CB 0.786 42.880 42.059 0.058 0.000 1.174 473 L HN 0.004 nan 8.230 nan 0.000 0.438 474 K N 2.003 122.440 120.400 0.062 0.000 2.660 474 K HA 0.228 4.548 4.320 0.000 0.000 0.285 474 K C -2.484 174.156 176.600 0.067 0.000 0.997 474 K CA -1.380 54.941 56.287 0.055 0.000 0.861 474 K CB 0.916 33.441 32.500 0.042 0.000 1.469 474 K HN 0.003 nan 8.250 nan 0.000 0.395 475 P HA -0.196 nan 4.420 nan 0.000 0.218 475 P C 0.198 177.536 177.300 0.063 0.000 1.148 475 P CA 1.230 64.367 63.100 0.062 0.000 0.822 475 P CB 0.112 31.840 31.700 0.046 0.000 0.784 476 D N -0.995 119.439 120.400 0.055 0.000 2.315 476 D HA -0.126 4.514 4.640 0.000 0.000 0.211 476 D C 1.478 177.819 176.300 0.069 0.000 0.977 476 D CA 0.874 54.906 54.000 0.054 0.000 0.894 476 D CB -0.218 40.607 40.800 0.042 0.000 0.910 476 D HN 0.128 nan 8.370 nan 0.000 0.490 477 L N 0.160 121.436 121.223 0.088 0.000 2.509 477 L HA 0.170 4.510 4.340 0.000 0.000 0.222 477 L C 0.720 177.700 176.870 0.183 0.000 1.123 477 L CA 0.445 55.357 54.840 0.119 0.000 0.856 477 L CB -0.360 41.770 42.059 0.118 0.000 0.985 477 L HN -0.036 nan 8.230 nan 0.000 0.456 478 L N -0.050 121.264 121.223 0.152 0.000 2.317 478 L HA 0.261 4.601 4.340 0.000 0.000 0.281 478 L C -0.243 176.693 176.870 0.110 0.000 1.024 478 L CA -0.673 54.255 54.840 0.147 0.000 0.810 478 L CB 1.924 44.044 42.059 0.101 0.000 1.240 478 L HN -0.111 nan 8.230 nan 0.000 0.427 479 D N 3.484 123.953 120.400 0.115 0.000 2.422 479 D HA 0.150 4.790 4.640 0.000 0.000 0.227 479 D C 0.631 176.977 176.300 0.076 0.000 1.190 479 D CA 0.079 54.137 54.000 0.096 0.000 0.905 479 D CB 0.758 41.633 40.800 0.124 0.000 1.034 479 D HN 0.392 nan 8.370 nan 0.000 0.507 480 L N 2.529 123.784 121.223 0.053 0.000 2.592 480 L HA -0.019 4.321 4.340 0.000 0.000 0.227 480 L C 2.069 178.958 176.870 0.032 0.000 1.127 480 L CA 0.134 54.999 54.840 0.040 0.000 0.884 480 L CB -0.093 41.986 42.059 0.033 0.000 1.065 480 L HN 0.349 nan 8.230 nan 0.000 0.457 481 S N -1.579 114.138 115.700 0.028 0.000 2.507 481 S HA -0.118 4.352 4.470 0.000 0.000 0.235 481 S C 1.483 176.088 174.600 0.007 0.000 0.988 481 S CA 1.057 59.264 58.200 0.011 0.000 0.944 481 S CB -0.449 62.751 63.200 0.001 0.000 0.762 481 S HN 0.481 nan 8.310 nan 0.000 0.526 482 T N -1.443 113.122 114.554 0.018 0.000 3.380 482 T HA 0.414 4.764 4.350 0.000 0.000 0.289 482 T C 1.006 175.721 174.700 0.026 0.000 1.012 482 T CA -0.458 61.651 62.100 0.015 0.000 0.944 482 T CB -0.301 68.570 68.868 0.005 0.000 1.172 482 T HN 0.266 nan 8.240 nan 0.000 0.502 483 L N 1.113 122.349 121.223 0.022 0.000 1.997 483 L HA -0.048 4.292 4.340 0.000 0.000 0.216 483 L C 2.113 178.984 176.870 0.002 0.000 1.074 483 L CA 1.462 56.308 54.840 0.010 0.000 0.763 483 L CB -0.168 41.893 42.059 0.003 0.000 0.890 483 L HN 0.307 nan 8.230 nan 0.000 0.434 484 K N -0.054 120.348 120.400 0.002 0.000 2.551 484 K HA 0.142 4.463 4.320 0.000 0.000 0.204 484 K C 0.315 176.915 176.600 0.000 0.000 1.033 484 K CA 0.167 56.454 56.287 -0.001 0.000 1.187 484 K CB 0.207 32.706 32.500 -0.001 0.000 0.900 484 K HN 0.193 nan 8.250 nan 0.000 0.499 485 A N 1.887 124.709 122.820 0.003 0.000 3.215 485 A HA 0.130 4.451 4.320 0.000 0.000 0.269 485 A C 0.048 177.635 177.584 0.004 0.000 1.517 485 A CA -0.359 51.680 52.037 0.004 0.000 1.221 485 A CB -0.368 18.635 19.000 0.006 0.000 1.160 485 A HN 0.200 nan 8.150 nan 0.000 0.620 486 R N 1.398 121.899 120.500 0.003 0.000 2.296 486 R HA 0.342 4.682 4.340 0.000 0.000 0.323 486 R C 0.099 176.405 176.300 0.010 0.000 1.067 486 R CA 0.645 56.748 56.100 0.005 0.000 0.946 486 R CB 0.361 30.668 30.300 0.012 0.000 0.991 486 R HN 0.584 nan 8.270 nan 0.000 0.448 487 T N -0.353 114.207 114.554 0.010 0.000 2.924 487 T HA 0.593 4.943 4.350 0.000 0.000 0.291 487 T C -0.575 174.134 174.700 0.016 0.000 1.045 487 T CA -0.846 61.260 62.100 0.010 0.000 1.015 487 T CB 1.938 70.809 68.868 0.004 0.000 1.103 487 T HN 0.176 nan 8.240 nan 0.000 0.496 488 V N 1.260 121.183 119.914 0.015 0.000 2.483 488 V HA 0.740 4.861 4.120 0.000 0.000 0.297 488 V C 0.752 176.850 176.094 0.007 0.000 1.027 488 V CA -0.696 61.615 62.300 0.017 0.000 0.855 488 V CB 1.461 33.300 31.823 0.026 0.000 0.995 488 V HN 1.291 nan 8.190 nan 0.000 0.424 489 G N 2.115 110.918 108.800 0.005 0.000 2.437 489 G HA2 0.551 4.511 3.960 0.000 0.000 0.319 489 G HA3 0.551 4.511 3.960 0.000 0.000 0.319 489 G C -0.311 174.586 174.900 -0.005 0.000 1.158 489 G CA -0.539 44.559 45.100 -0.004 0.000 0.899 489 G HN 0.907 nan 8.290 nan 0.000 0.502 490 V N 1.443 121.349 119.914 -0.013 0.000 2.637 490 V HA 0.460 4.580 4.120 0.000 0.000 0.296 490 V C -1.870 174.215 176.094 -0.014 0.000 1.046 490 V CA -1.620 60.672 62.300 -0.014 0.000 1.066 490 V CB 1.101 32.911 31.823 -0.022 0.000 0.968 490 V HN 0.577 nan 8.190 nan 0.000 0.483 491 P HA 0.317 nan 4.420 nan 0.000 0.279 491 P C -1.064 176.232 177.300 -0.007 0.000 1.318 491 P CA 0.014 63.113 63.100 -0.002 0.000 0.819 491 P CB 0.399 32.100 31.700 0.003 0.000 0.927 492 N N 1.945 120.640 118.700 -0.007 0.000 2.362 492 N HA 0.098 4.838 4.740 0.000 0.000 0.298 492 N C 0.144 175.653 175.510 -0.002 0.000 1.048 492 N CA -0.371 52.669 53.050 -0.016 0.000 0.858 492 N CB 0.640 39.107 38.487 -0.033 0.000 1.218 492 N HN 0.310 nan 8.380 nan 0.000 0.488 493 D N 1.732 122.132 120.400 0.001 0.000 2.781 493 D HA -0.165 4.475 4.640 0.000 0.000 0.221 493 D C 1.128 177.473 176.300 0.075 0.000 1.224 493 D CA 0.185 54.201 54.000 0.026 0.000 0.625 493 D CB -0.014 40.770 40.800 -0.026 0.000 0.987 493 D HN 0.310 nan 8.370 nan 0.000 0.402 494 V N 0.122 120.070 119.914 0.058 0.000 2.233 494 V HA -0.342 3.778 4.120 0.000 0.000 0.256 494 V C 2.519 178.667 176.094 0.090 0.000 1.069 494 V CA 1.977 64.314 62.300 0.063 0.000 1.054 494 V CB -0.433 31.417 31.823 0.045 0.000 0.664 494 V HN 0.365 nan 8.190 nan 0.000 0.453 495 L N -1.598 119.682 121.223 0.096 0.000 1.988 495 L HA -0.128 4.212 4.340 0.000 0.000 0.207 495 L C 2.208 179.164 176.870 0.142 0.000 1.071 495 L CA 2.055 56.953 54.840 0.097 0.000 0.744 495 L CB -1.200 40.911 42.059 0.086 0.000 0.893 495 L HN 0.447 nan 8.230 nan 0.000 0.433 496 Y N 0.683 120.999 120.300 0.026 0.000 2.053 496 Y HA -0.354 4.196 4.550 0.000 0.000 0.277 496 Y C 2.429 178.364 175.900 0.058 0.000 1.159 496 Y CA 2.370 60.493 58.100 0.039 0.000 1.125 496 Y CB -0.366 38.106 38.460 0.021 0.000 0.969 496 Y HN 0.393 nan 8.280 nan 0.000 0.492 497 N N -0.270 118.631 118.700 0.336 0.000 2.011 497 N HA -0.314 4.426 4.740 0.000 0.000 0.199 497 N C 1.766 177.345 175.510 0.116 0.000 1.047 497 N CA 1.373 54.543 53.050 0.200 0.000 0.863 497 N CB -0.434 38.139 38.487 0.145 0.000 1.056 497 N HN 0.329 nan 8.380 nan 0.000 0.427 498 E N 0.320 120.572 120.200 0.087 0.000 2.233 498 E HA -0.239 4.111 4.350 0.000 0.000 0.210 498 E C 1.769 178.384 176.600 0.025 0.000 1.046 498 E CA 1.849 58.280 56.400 0.051 0.000 0.844 498 E CB 0.026 29.752 29.700 0.044 0.000 0.741 498 E HN 0.456 nan 8.360 nan 0.000 0.465 499 V N -2.246 117.664 119.914 -0.005 0.000 2.992 499 V HA 0.051 4.171 4.120 0.000 0.000 0.250 499 V C 0.981 177.031 176.094 -0.073 0.000 1.090 499 V CA 0.372 62.638 62.300 -0.057 0.000 1.101 499 V CB -0.830 30.947 31.823 -0.077 0.000 0.743 499 V HN 0.234 nan 8.190 nan 0.000 0.468 500 Y N 3.234 123.404 120.300 -0.216 0.000 2.605 500 Y HA 0.323 4.874 4.550 0.000 0.000 0.336 500 Y C 0.330 176.180 175.900 -0.084 0.000 1.111 500 Y CA -0.720 57.270 58.100 -0.183 0.000 1.422 500 Y CB -0.163 38.165 38.460 -0.220 0.000 1.193 500 Y HN 0.416 nan 8.280 nan 0.000 0.526 501 E N 4.934 124.835 120.200 -0.497 0.000 2.081 501 E HA 0.342 4.692 4.350 0.000 0.000 0.281 501 E C 0.296 176.442 176.600 -0.756 0.000 0.986 501 E CA -0.419 55.733 56.400 -0.413 0.000 0.796 501 E CB 0.832 30.382 29.700 -0.250 0.000 1.085 501 E HN 0.915 nan 8.360 nan 0.000 0.398 502 G N 3.983 112.567 108.800 -0.360 0.000 2.636 502 G HA2 0.227 4.188 3.960 0.000 0.000 0.246 502 G HA3 0.227 4.188 3.960 0.000 0.000 0.246 502 G C -1.897 172.952 174.900 -0.086 0.000 1.216 502 G CA -0.821 44.227 45.100 -0.087 0.000 0.854 502 G HN 0.327 nan 8.290 nan 0.000 0.572 503 P HA 0.453 nan 4.420 nan 0.000 0.293 503 P C -0.286 177.011 177.300 -0.006 0.000 1.298 503 P CA -0.274 62.815 63.100 -0.018 0.000 0.757 503 P CB 0.789 32.498 31.700 0.015 0.000 1.262 504 T N -0.807 113.741 114.554 -0.010 0.000 3.097 504 T HA 0.486 4.836 4.350 0.000 0.000 0.332 504 T C -0.927 173.763 174.700 -0.016 0.000 1.269 504 T CA -0.505 61.588 62.100 -0.012 0.000 1.076 504 T CB 0.234 69.089 68.868 -0.023 0.000 1.209 504 T HN 0.098 nan 8.240 nan 0.000 0.474 505 L N 2.529 123.744 121.223 -0.015 0.000 2.454 505 L HA 0.655 4.995 4.340 0.000 0.000 0.256 505 L C 1.334 178.179 176.870 -0.043 0.000 1.136 505 L CA -0.662 54.161 54.840 -0.027 0.000 0.804 505 L CB 0.392 42.437 42.059 -0.023 0.000 1.181 505 L HN 0.634 nan 8.230 nan 0.000 0.469 506 T N -2.768 111.742 114.554 -0.073 0.000 2.849 506 T HA 0.344 4.694 4.350 0.000 0.000 0.276 506 T C 0.554 175.170 174.700 -0.139 0.000 0.971 506 T CA -0.589 61.453 62.100 -0.096 0.000 0.949 506 T CB 1.625 70.420 68.868 -0.122 0.000 1.093 506 T HN 0.614 nan 8.240 nan 0.000 0.545 507 E N -0.740 119.370 120.200 -0.151 0.000 2.110 507 E HA 0.449 4.799 4.350 0.000 0.000 0.194 507 E C -0.778 175.794 176.600 -0.046 0.000 0.944 507 E CA -0.137 56.217 56.400 -0.077 0.000 0.899 507 E CB 0.123 29.827 29.700 0.006 0.000 0.907 507 E HN 0.579 nan 8.360 nan 0.000 0.473 508 F N -1.041 118.906 119.950 -0.005 0.000 2.183 508 F HA -0.212 4.315 4.527 0.000 0.000 0.318 508 F C 0.775 176.572 175.800 -0.005 0.000 0.992 508 F CA 0.129 58.126 58.000 -0.005 0.000 0.912 508 F CB -0.470 38.527 39.000 -0.005 0.000 4.135 508 F HN 0.063 nan 8.300 nan 0.000 0.137 509 E N -0.166 120.161 120.200 0.211 0.000 2.421 509 E HA 0.063 4.413 4.350 0.000 0.000 0.209 509 E C 0.143 176.784 176.600 0.069 0.000 0.871 509 E CA 0.794 57.256 56.400 0.103 0.000 1.064 509 E CB 0.242 29.989 29.700 0.078 0.000 1.075 509 E HN 0.619 nan 8.360 nan 0.000 0.513 510 D N 0.000 120.431 120.400 0.052 0.000 6.856 510 D HA 0.000 4.640 4.640 0.000 0.000 0.175 510 D CA 0.000 54.021 54.000 0.034 0.000 0.868 510 D CB 0.000 40.811 40.800 0.019 0.000 0.688 510 D HN 0.000 nan 8.370 nan 0.000 0.683