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 1ya8_1_B DATA FIRST_RESID 21 DATA SEQUENCE SSPPVVDTVH GKVLGKFVSL EGFAQPVAIF LGIPFAKPPL GPLRFTPPQP DATA SEQUENCE AEPWSFVKNA TSYPPMcTQD PKAGQLLSEL FTNRKENIPL KLSEDcLYLN DATA SEQUENCE IYTPADLTKK NRLPVMVWIH GGGLMVGAAS TYDGLALAAH ENVVVVTIQY DATA SEQUENCE RLGIWGFFST GDEHSRGNWG HLDQVAALRW VQDNIASFGG NPGSVTIFGE DATA SEQUENCE SAGGESVSVL VLSPLAKNLF HRAISESGVA LTSVLVKKGD VKPLAEQIAI DATA SEQUENCE TAGcKTTTSA VMVHcLRQKT EEELLETTLK MKFLSLDLQG DPRESQPLLG DATA SEQUENCE TVIDGMLLLK TPEELQAERN FHTVPYMVGI NKQEFGWLIP MXLMSYPLSE DATA SEQUENCE GQLDQKTAMS LLWKSYPLVC IAKELIPEAT EKYLGGTDDT VKKKDLFLDL DATA SEQUENCE IADVMFGVPS VIVARNHRDA GAPTYMYEFQ YRPSFSSDMK PKTVIGDHGD DATA SEQUENCE ELFSVFGAPF LKEGASEEEI RLSKMVMKFW ANFARNGNPN GEGLPHWPEY DATA SEQUENCE NQKEGYLQIG ANTQAAQKLK DKEVAFWTNL FAK 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 21 S HA 0.000 nan 4.470 nan 0.000 0.327 21 S C 0.000 174.676 174.600 0.127 0.000 1.055 21 S CA 0.000 58.245 58.200 0.074 0.000 1.107 21 S CB 0.000 63.256 63.200 0.094 0.000 0.593 22 S N 3.162 118.950 115.700 0.147 0.000 2.465 22 S HA 0.602 5.072 4.470 0.000 0.000 0.279 22 S C -2.327 172.390 174.600 0.195 0.000 1.201 22 S CA -1.048 57.233 58.200 0.136 0.000 1.053 22 S CB -0.244 63.020 63.200 0.106 0.000 0.953 22 S HN 0.638 nan 8.310 nan 0.000 0.488 23 P HA 0.061 nan 4.420 nan 0.000 0.263 23 P C -2.599 174.638 177.300 -0.104 0.000 1.168 23 P CA -0.607 62.463 63.100 -0.051 0.000 0.759 23 P CB -0.295 31.366 31.700 -0.064 0.000 0.782 24 P HA 0.083 nan 4.420 nan 0.000 0.276 24 P C -0.826 176.468 177.300 -0.010 0.000 1.253 24 P CA 0.271 63.198 63.100 -0.288 0.000 0.766 24 P CB 0.493 31.769 31.700 -0.707 0.000 0.845 25 V N 5.569 125.538 119.914 0.092 0.000 2.378 25 V HA 0.274 4.395 4.120 0.000 0.000 0.288 25 V C 0.168 176.326 176.094 0.107 0.000 1.016 25 V CA -0.594 61.790 62.300 0.140 0.000 0.840 25 V CB 2.027 33.911 31.823 0.102 0.000 0.994 25 V HN 0.235 nan 8.190 nan 0.000 0.431 26 V N 3.663 123.630 119.914 0.088 0.000 2.667 26 V HA 0.461 4.582 4.120 0.000 0.000 0.308 26 V C -0.263 175.774 176.094 -0.095 0.000 1.048 26 V CA -0.662 61.547 62.300 -0.151 0.000 0.928 26 V CB 2.178 33.615 31.823 -0.643 0.000 1.004 26 V HN 0.806 nan 8.190 nan 0.000 0.444 27 D N 2.441 122.758 120.400 -0.137 0.000 2.274 27 D HA 0.408 5.048 4.640 0.000 0.000 0.239 27 D C -0.174 176.051 176.300 -0.125 0.000 1.104 27 D CA 0.127 54.083 54.000 -0.073 0.000 0.840 27 D CB 1.801 42.560 40.800 -0.068 0.000 1.100 27 D HN 0.757 nan 8.370 nan 0.000 0.477 28 T N 0.058 114.585 114.554 -0.045 0.000 2.930 28 T HA 0.267 4.617 4.350 0.000 0.000 0.290 28 T C 1.647 176.241 174.700 -0.178 0.000 1.052 28 T CA -0.681 61.374 62.100 -0.076 0.000 1.017 28 T CB 1.310 70.277 68.868 0.165 0.000 1.137 28 T HN 0.038 nan 8.240 nan 0.000 0.511 29 V N 1.826 121.570 119.914 -0.284 0.000 2.250 29 V HA -0.213 3.907 4.120 0.000 0.000 0.253 29 V C 2.493 178.341 176.094 -0.409 0.000 1.065 29 V CA 2.128 64.206 62.300 -0.370 0.000 1.039 29 V CB -1.147 30.366 31.823 -0.517 0.000 0.647 29 V HN 0.887 nan 8.190 nan 0.000 0.446 30 H N 0.304 119.151 119.070 -0.372 0.000 2.559 30 H HA 0.350 4.907 4.556 0.000 0.000 0.273 30 H C 1.080 175.634 175.328 -1.290 0.000 1.000 30 H CA 1.005 56.619 56.048 -0.724 0.000 1.195 30 H CB -0.123 29.180 29.762 -0.765 0.000 1.368 30 H HN 0.602 nan 8.280 nan 0.000 0.592 31 G N -0.132 108.213 108.800 -0.759 0.000 2.346 31 G HA2 -0.025 3.935 3.960 0.000 0.000 0.294 31 G HA3 -0.025 3.935 3.960 0.000 0.000 0.294 31 G C -1.277 173.702 174.900 0.131 0.000 1.294 31 G CA -1.084 43.666 45.100 -0.583 0.000 0.962 31 G HN 0.076 nan 8.290 nan 0.000 0.508 32 K N -0.532 120.130 120.400 0.437 0.000 2.144 32 K HA 0.630 4.950 4.320 0.000 0.000 0.270 32 K C 0.132 177.078 176.600 0.575 0.000 1.005 32 K CA -0.501 56.044 56.287 0.430 0.000 0.932 32 K CB 1.817 34.481 32.500 0.273 0.000 1.021 32 K HN 0.888 nan 8.250 nan 0.000 0.462 33 V N 0.198 120.338 119.914 0.377 0.000 2.735 33 V HA 0.488 4.608 4.120 0.000 0.000 0.310 33 V C -0.948 175.346 176.094 0.334 0.000 1.061 33 V CA -1.161 61.342 62.300 0.340 0.000 0.913 33 V CB 1.725 33.791 31.823 0.406 0.000 1.005 33 V HN 0.540 nan 8.190 nan 0.000 0.428 34 L N 3.615 124.979 121.223 0.236 0.000 2.333 34 L HA 0.953 5.293 4.340 0.000 0.000 0.280 34 L C 0.211 177.075 176.870 -0.010 0.000 1.004 34 L CA 0.546 55.457 54.840 0.117 0.000 0.820 34 L CB 1.072 43.152 42.059 0.035 0.000 1.247 34 L HN 1.030 nan 8.230 nan 0.000 0.416 35 G N 4.816 113.442 108.800 -0.290 0.000 3.209 35 G HA2 0.624 4.584 3.960 0.000 0.000 0.236 35 G HA3 0.624 4.584 3.960 0.000 0.000 0.236 35 G C -1.314 173.252 174.900 -0.557 0.000 1.329 35 G CA -0.550 44.124 45.100 -0.709 0.000 1.015 35 G HN 0.715 nan 8.290 nan 0.000 0.571 36 K N -1.224 118.816 120.400 -0.601 0.000 2.435 36 K HA 0.643 4.963 4.320 0.000 0.000 0.251 36 K C -1.773 174.591 176.600 -0.393 0.000 0.954 36 K CA -0.837 55.219 56.287 -0.386 0.000 0.820 36 K CB 2.212 34.577 32.500 -0.225 0.000 1.292 36 K HN 0.283 nan 8.250 nan 0.000 0.436 37 F N 1.295 121.178 119.950 -0.112 0.000 2.404 37 F HA 0.412 4.939 4.527 0.000 0.000 0.339 37 F C -0.380 175.399 175.800 -0.035 0.000 1.105 37 F CA -0.778 57.185 58.000 -0.063 0.000 1.087 37 F CB 2.052 41.036 39.000 -0.027 0.000 1.143 37 F HN 0.101 nan 8.300 nan 0.000 0.491 38 V N 2.995 123.039 119.914 0.216 0.000 2.525 38 V HA 0.303 4.423 4.120 0.000 0.000 0.299 38 V C -0.509 175.661 176.094 0.127 0.000 1.034 38 V CA -0.699 61.681 62.300 0.133 0.000 0.863 38 V CB 1.891 33.775 31.823 0.101 0.000 0.999 38 V HN 0.738 nan 8.190 nan 0.000 0.423 39 S N 4.276 120.034 115.700 0.097 0.000 2.578 39 S HA 0.747 5.217 4.470 0.000 0.000 0.283 39 S C -0.612 174.041 174.600 0.088 0.000 1.195 39 S CA -0.369 57.881 58.200 0.083 0.000 1.050 39 S CB 1.482 64.722 63.200 0.067 0.000 1.012 39 S HN 0.549 nan 8.310 nan 0.000 0.511 40 L N 2.633 123.914 121.223 0.096 0.000 2.346 40 L HA 0.543 4.883 4.340 0.000 0.000 0.276 40 L C -0.239 176.779 176.870 0.247 0.000 1.006 40 L CA -0.676 54.236 54.840 0.121 0.000 0.817 40 L CB 1.478 43.522 42.059 -0.025 0.000 1.272 40 L HN 0.606 nan 8.230 nan 0.000 0.421 41 E N 3.781 124.113 120.200 0.221 0.000 3.072 41 E HA 0.270 4.620 4.350 0.000 0.000 0.241 41 E C 0.935 177.679 176.600 0.239 0.000 0.962 41 E CA 1.431 57.955 56.400 0.206 0.000 0.955 41 E CB -0.380 29.442 29.700 0.204 0.000 0.899 41 E HN 0.906 nan 8.360 nan 0.000 0.547 42 G N 3.511 112.367 108.800 0.093 0.000 2.131 42 G HA2 -0.238 3.722 3.960 0.000 0.000 0.223 42 G HA3 -0.238 3.722 3.960 0.000 0.000 0.223 42 G C -0.291 174.320 174.900 -0.483 0.000 0.990 42 G CA -0.042 44.962 45.100 -0.159 0.000 0.671 42 G HN 0.363 nan 8.290 nan 0.000 0.521 43 F N -0.495 119.420 119.950 -0.057 0.000 2.557 43 F HA 0.705 5.232 4.527 0.000 0.000 0.316 43 F C 1.150 176.925 175.800 -0.041 0.000 1.141 43 F CA -0.229 57.732 58.000 -0.066 0.000 0.922 43 F CB 1.474 40.417 39.000 -0.094 0.000 1.194 43 F HN 0.107 nan 8.300 nan 0.000 0.443 44 A N 1.805 124.679 122.820 0.091 0.000 1.851 44 A HA -0.178 4.142 4.320 0.000 0.000 0.216 44 A C 1.173 178.782 177.584 0.043 0.000 1.195 44 A CA 1.311 53.374 52.037 0.043 0.000 0.622 44 A CB -0.552 18.457 19.000 0.014 0.000 0.831 44 A HN 0.673 nan 8.150 nan 0.000 0.444 45 Q N 1.359 121.198 119.800 0.066 0.000 2.307 45 Q HA 0.283 4.623 4.340 0.000 0.000 0.261 45 Q C -2.400 173.624 176.000 0.041 0.000 1.051 45 Q CA -2.394 53.428 55.803 0.031 0.000 0.911 45 Q CB 0.508 29.280 28.738 0.058 0.000 1.227 45 Q HN 0.397 nan 8.270 nan 0.000 0.418 46 P HA 0.002 nan 4.420 nan 0.000 0.271 46 P C -0.820 176.588 177.300 0.181 0.000 1.218 46 P CA -0.206 62.920 63.100 0.043 0.000 0.780 46 P CB 0.862 32.528 31.700 -0.057 0.000 0.901 47 V N 2.275 122.310 119.914 0.202 0.000 2.530 47 V HA 0.323 4.443 4.120 0.000 0.000 0.282 47 V C 0.946 177.220 176.094 0.301 0.000 1.048 47 V CA -0.422 62.018 62.300 0.233 0.000 0.997 47 V CB 0.617 32.535 31.823 0.158 0.000 0.987 47 V HN 0.741 nan 8.190 nan 0.000 0.477 48 A N 6.925 129.912 122.820 0.277 0.000 2.309 48 A HA 0.722 5.042 4.320 0.000 0.000 0.290 48 A C -0.380 177.169 177.584 -0.058 0.000 1.206 48 A CA -0.277 51.754 52.037 -0.011 0.000 0.850 48 A CB -0.067 19.002 19.000 0.114 0.000 1.118 48 A HN 0.762 nan 8.150 nan 0.000 0.523 49 I N 1.733 122.066 120.570 -0.394 0.000 2.530 49 I HA 0.534 4.704 4.170 0.000 0.000 0.297 49 I C -1.201 174.480 176.117 -0.725 0.000 1.011 49 I CA -0.420 60.632 61.300 -0.412 0.000 1.107 49 I CB 1.920 39.714 38.000 -0.344 0.000 1.285 49 I HN 0.549 nan 8.210 nan 0.000 0.436 50 F N 5.599 125.375 119.950 -0.290 0.000 2.539 50 F HA 0.572 5.099 4.527 0.000 0.000 0.318 50 F C -0.577 175.070 175.800 -0.255 0.000 1.135 50 F CA -0.553 57.332 58.000 -0.192 0.000 0.915 50 F CB 1.579 40.559 39.000 -0.033 0.000 1.176 50 F HN 0.065 nan 8.300 nan 0.000 0.440 51 L N 2.352 123.511 121.223 -0.108 0.000 2.341 51 L HA 0.712 5.052 4.340 0.000 0.000 0.278 51 L C 0.556 177.358 176.870 -0.114 0.000 1.005 51 L CA -1.003 53.739 54.840 -0.165 0.000 0.818 51 L CB 1.823 43.646 42.059 -0.394 0.000 1.259 51 L HN 0.895 nan 8.230 nan 0.000 0.418 52 G N 3.566 112.330 108.800 -0.060 0.000 2.289 52 G HA2 -0.235 3.725 3.960 0.000 0.000 0.280 52 G HA3 -0.235 3.725 3.960 0.000 0.000 0.280 52 G C -0.237 174.735 174.900 0.118 0.000 1.089 52 G CA -0.380 44.669 45.100 -0.086 0.000 0.939 52 G HN 0.491 nan 8.290 nan 0.000 0.499 53 I N 2.152 122.800 120.570 0.130 0.000 2.352 53 I HA 0.231 4.401 4.170 0.000 0.000 0.290 53 I C -1.441 174.726 176.117 0.084 0.000 1.036 53 I CA -2.212 59.133 61.300 0.075 0.000 1.336 53 I CB 1.398 39.382 38.000 -0.028 0.000 1.407 53 I HN 0.030 nan 8.210 nan 0.000 0.497 54 P HA 0.043 nan 4.420 nan 0.000 0.276 54 P C -0.267 176.949 177.300 -0.139 0.000 1.230 54 P CA 0.026 62.984 63.100 -0.236 0.000 0.776 54 P CB 0.578 32.160 31.700 -0.196 0.000 0.888 55 F N 0.982 120.753 119.950 -0.298 0.000 2.706 55 F HA 0.724 5.251 4.527 0.000 0.000 0.313 55 F C 0.052 175.864 175.800 0.019 0.000 1.096 55 F CA -0.737 57.128 58.000 -0.226 0.000 1.219 55 F CB 0.183 38.942 39.000 -0.402 0.000 1.051 55 F HN 0.361 nan 8.300 nan 0.000 0.568 56 A N 0.746 123.260 122.820 -0.510 0.000 2.594 56 A HA 0.535 4.855 4.320 0.000 0.000 0.291 56 A C -1.261 176.128 177.584 -0.324 0.000 1.105 56 A CA -1.068 50.768 52.037 -0.334 0.000 0.694 56 A CB 1.117 19.842 19.000 -0.458 0.000 1.291 56 A HN 0.184 nan 8.150 nan 0.000 0.410 57 K N 0.808 121.091 120.400 -0.194 0.000 2.298 57 K HA 0.419 4.739 4.320 0.000 0.000 0.280 57 K C -2.446 174.033 176.600 -0.201 0.000 1.032 57 K CA -1.600 54.587 56.287 -0.167 0.000 0.958 57 K CB 0.388 32.830 32.500 -0.097 0.000 0.978 57 K HN 0.316 nan 8.250 nan 0.000 0.472 58 P HA -0.040 nan 4.420 nan 0.000 0.256 58 P C -2.396 174.817 177.300 -0.144 0.000 1.173 58 P CA -0.729 62.264 63.100 -0.180 0.000 0.768 58 P CB 0.138 31.763 31.700 -0.124 0.000 0.758 59 P HA 0.046 nan 4.420 nan 0.000 0.231 59 P C -0.598 176.622 177.300 -0.133 0.000 1.756 59 P CA 0.475 63.491 63.100 -0.140 0.000 0.990 59 P CB -0.005 31.613 31.700 -0.137 0.000 1.973 60 L N -0.397 120.757 121.223 -0.114 0.000 2.365 60 L HA 0.626 4.966 4.340 0.000 0.000 0.267 60 L C 1.661 178.470 176.870 -0.101 0.000 1.033 60 L CA -0.541 54.240 54.840 -0.098 0.000 0.802 60 L CB 0.447 42.461 42.059 -0.075 0.000 1.267 60 L HN 0.270 nan 8.230 nan 0.000 0.457 61 G N 1.218 109.963 108.800 -0.092 0.000 2.672 61 G HA2 -0.291 3.669 3.960 0.000 0.000 0.324 61 G HA3 -0.291 3.669 3.960 0.000 0.000 0.324 61 G C -1.316 173.520 174.900 -0.106 0.000 1.286 61 G CA 0.374 45.422 45.100 -0.086 0.000 1.004 61 G HN 0.636 nan 8.290 nan 0.000 0.548 62 P HA 0.029 nan 4.420 nan 0.000 0.231 62 P C 1.776 179.018 177.300 -0.097 0.000 1.158 62 P CA 1.150 64.212 63.100 -0.064 0.000 0.763 62 P CB -0.103 31.581 31.700 -0.027 0.000 0.805 63 L N -1.161 119.986 121.223 -0.126 0.000 2.558 63 L HA 0.121 4.462 4.340 0.000 0.000 0.225 63 L C 1.707 178.423 176.870 -0.257 0.000 1.128 63 L CA -0.214 54.533 54.840 -0.156 0.000 0.868 63 L CB -0.319 41.665 42.059 -0.125 0.000 1.006 63 L HN -0.084 nan 8.230 nan 0.000 0.454 64 R N 0.781 121.089 120.500 -0.321 0.000 2.442 64 R HA 0.009 4.349 4.340 0.000 0.000 0.291 64 R C -0.395 175.500 176.300 -0.676 0.000 1.069 64 R CA -0.168 55.585 56.100 -0.579 0.000 1.022 64 R CB 0.202 30.083 30.300 -0.698 0.000 0.976 64 R HN 0.055 nan 8.270 nan 0.000 0.443 65 F N 0.242 119.820 119.950 -0.620 0.000 3.056 65 F HA -0.255 4.272 4.527 0.000 0.000 0.301 65 F C 0.034 174.801 175.800 -1.720 0.000 0.907 65 F CA 1.368 58.662 58.000 -1.176 0.000 1.113 65 F CB -2.476 36.282 39.000 -0.404 0.000 1.123 65 F HN 0.685 nan 8.300 nan 0.000 0.661 66 T N -3.293 110.427 114.554 -1.390 0.000 2.843 66 T HA 0.789 5.140 4.350 0.000 0.000 0.302 66 T C -3.180 171.328 174.700 -0.320 0.000 1.232 66 T CA -2.310 59.274 62.100 -0.860 0.000 1.009 66 T CB 3.351 72.033 68.868 -0.309 0.000 1.254 66 T HN -0.247 nan 8.240 nan 0.000 0.504 67 P HA 0.294 nan 4.420 nan 0.000 0.271 67 P C -2.380 174.997 177.300 0.128 0.000 1.216 67 P CA -1.013 62.257 63.100 0.283 0.000 0.776 67 P CB -0.158 31.710 31.700 0.280 0.000 0.881 68 P HA 0.059 nan 4.420 nan 0.000 0.268 68 P C -0.680 176.664 177.300 0.073 0.000 1.204 68 P CA 0.254 63.400 63.100 0.077 0.000 0.768 68 P CB 0.763 32.534 31.700 0.118 0.000 0.842 69 Q N 3.470 123.284 119.800 0.024 0.000 2.215 69 Q HA 0.441 4.781 4.340 0.000 0.000 0.256 69 Q C -2.202 173.820 176.000 0.036 0.000 0.972 69 Q CA -2.136 53.688 55.803 0.035 0.000 0.889 69 Q CB 0.700 29.444 28.738 0.010 0.000 1.281 69 Q HN 0.366 nan 8.270 nan 0.000 0.456 70 P HA -0.068 nan 4.420 nan 0.000 0.266 70 P C -1.378 175.917 177.300 -0.009 0.000 1.193 70 P CA 0.196 63.357 63.100 0.101 0.000 0.770 70 P CB 0.450 32.230 31.700 0.134 0.000 0.836 71 A N 2.501 125.276 122.820 -0.076 0.000 2.371 71 A HA 0.184 4.504 4.320 0.000 0.000 0.257 71 A C 0.301 177.672 177.584 -0.356 0.000 1.089 71 A CA -0.362 51.548 52.037 -0.212 0.000 0.794 71 A CB -0.026 18.880 19.000 -0.156 0.000 1.029 71 A HN 0.450 nan 8.150 nan 0.000 0.488 72 E N 2.678 122.780 120.200 -0.164 0.000 2.316 72 E HA 0.247 4.597 4.350 0.000 0.000 0.275 72 E C -2.154 174.390 176.600 -0.093 0.000 1.029 72 E CA -1.494 54.844 56.400 -0.103 0.000 0.871 72 E CB 0.372 30.062 29.700 -0.016 0.000 1.022 72 E HN 0.493 nan 8.360 nan 0.000 0.418 73 P HA 0.054 nan 4.420 nan 0.000 0.271 73 P C -0.791 176.504 177.300 -0.009 0.000 1.218 73 P CA -0.229 62.772 63.100 -0.166 0.000 0.780 73 P CB 0.263 31.901 31.700 -0.104 0.000 0.901 74 W N 0.895 122.224 121.300 0.048 0.000 2.551 74 W HA 0.579 5.239 4.660 0.000 0.000 0.330 74 W C 0.888 177.389 176.519 -0.030 0.000 1.063 74 W CA -0.717 56.643 57.345 0.025 0.000 1.222 74 W CB -0.205 29.295 29.460 0.068 0.000 1.349 74 W HN 0.167 nan 8.180 nan 0.000 0.536 75 S N 1.323 117.082 115.700 0.097 0.000 2.356 75 S HA -0.090 4.380 4.470 0.000 0.000 0.223 75 S C 0.669 175.022 174.600 -0.412 0.000 1.032 75 S CA 1.226 59.269 58.200 -0.262 0.000 1.005 75 S CB -0.326 62.584 63.200 -0.483 0.000 0.867 75 S HN 0.483 nan 8.310 nan 0.000 0.449 76 F N -0.374 119.715 119.950 0.232 0.000 3.022 76 F HA 0.465 4.992 4.527 0.000 0.000 0.193 76 F C 0.141 176.105 175.800 0.273 0.000 1.462 76 F CA -0.942 57.173 58.000 0.192 0.000 0.914 76 F CB -0.245 38.826 39.000 0.119 0.000 2.028 76 F HN -0.295 nan 8.300 nan 0.000 0.451 77 V N 1.336 121.510 119.914 0.433 0.000 2.350 77 V HA 0.234 4.354 4.120 0.000 0.000 0.276 77 V C -0.302 175.887 176.094 0.158 0.000 1.028 77 V CA -0.949 61.524 62.300 0.287 0.000 0.860 77 V CB 0.995 32.935 31.823 0.194 0.000 0.990 77 V HN 0.359 nan 8.190 nan 0.000 0.453 78 K N 4.175 124.598 120.400 0.039 0.000 2.258 78 K HA 0.289 4.609 4.320 0.000 0.000 0.284 78 K C -0.139 176.401 176.600 -0.100 0.000 1.051 78 K CA -0.549 55.611 56.287 -0.211 0.000 0.923 78 K CB 0.427 32.441 32.500 -0.810 0.000 1.046 78 K HN 0.588 nan 8.250 nan 0.000 0.474 79 N N 2.943 121.587 118.700 -0.094 0.000 2.549 79 N HA 0.078 4.818 4.740 0.000 0.000 0.267 79 N C -0.763 174.690 175.510 -0.094 0.000 1.182 79 N CA 0.009 53.016 53.050 -0.073 0.000 1.019 79 N CB 1.145 39.585 38.487 -0.078 0.000 1.380 79 N HN 0.536 nan 8.380 nan 0.000 0.505 80 A N 1.654 124.451 122.820 -0.038 0.000 3.026 80 A HA 0.215 4.535 4.320 0.000 0.000 0.272 80 A C 0.788 178.297 177.584 -0.124 0.000 1.782 80 A CA -0.317 51.699 52.037 -0.035 0.000 1.451 80 A CB -0.779 18.313 19.000 0.153 0.000 1.081 80 A HN 0.508 nan 8.150 nan 0.000 0.611 81 T N -2.973 111.474 114.554 -0.178 0.000 3.399 81 T HA 0.415 4.765 4.350 0.000 0.000 0.305 81 T C -0.023 174.510 174.700 -0.278 0.000 0.983 81 T CA -0.110 61.848 62.100 -0.237 0.000 0.967 81 T CB -0.090 68.663 68.868 -0.191 0.000 1.186 81 T HN 0.223 nan 8.240 nan 0.000 0.504 82 S N 1.012 116.538 115.700 -0.290 0.000 2.677 82 S HA 0.521 4.991 4.470 0.000 0.000 0.283 82 S C -1.204 173.223 174.600 -0.289 0.000 1.159 82 S CA -0.755 57.277 58.200 -0.281 0.000 1.001 82 S CB 0.708 63.799 63.200 -0.181 0.000 1.032 82 S HN 0.348 nan 8.310 nan 0.000 0.487 83 Y N 4.151 124.379 120.300 -0.120 0.000 2.881 83 Y HA 0.081 4.631 4.550 0.000 0.000 0.335 83 Y C -1.408 174.382 175.900 -0.184 0.000 1.263 83 Y CA -0.702 57.326 58.100 -0.121 0.000 1.572 83 Y CB -0.212 38.196 38.460 -0.086 0.000 1.237 83 Y HN 0.389 nan 8.280 nan 0.000 0.568 84 P HA 0.216 nan 4.420 nan 0.000 0.276 84 P C -2.681 174.525 177.300 -0.157 0.000 1.252 84 P CA -1.822 61.092 63.100 -0.311 0.000 0.802 84 P CB 0.779 32.160 31.700 -0.531 0.000 1.035 85 P HA 0.173 nan 4.420 nan 0.000 0.269 85 P C -0.131 177.132 177.300 -0.062 0.000 1.215 85 P CA 0.133 63.172 63.100 -0.101 0.000 0.780 85 P CB 0.164 31.807 31.700 -0.095 0.000 0.898 86 M N 0.601 120.153 119.600 -0.081 0.000 2.264 86 M HA 0.433 4.913 4.480 0.000 0.000 0.352 86 M C -0.720 175.510 176.300 -0.118 0.000 1.173 86 M CA -0.644 54.603 55.300 -0.089 0.000 1.075 86 M CB 0.531 33.061 32.600 -0.116 0.000 1.621 86 M HN 0.124 nan 8.290 nan 0.000 0.457 87 c N 2.467 120.994 118.600 -0.123 0.000 2.608 87 c HA 0.029 4.599 4.570 0.000 0.000 0.407 87 c C 1.015 174.937 174.090 -0.281 0.000 1.322 87 c CA 0.021 56.228 56.329 -0.204 0.000 1.778 87 c CB -0.713 41.698 42.510 -0.165 0.000 2.654 87 c HN 0.890 nan 8.230 nan 0.000 0.622 88 T N 4.631 118.885 114.554 -0.500 0.000 2.849 88 T HA 0.270 4.620 4.350 0.000 0.000 0.289 88 T C 0.049 174.532 174.700 -0.362 0.000 1.010 88 T CA 0.384 62.146 62.100 -0.563 0.000 1.161 88 T CB -0.185 68.025 68.868 -1.096 0.000 0.989 88 T HN 0.884 nan 8.240 nan 0.000 0.523 89 Q N 1.055 120.774 119.800 -0.135 0.000 2.814 89 Q HA 0.379 4.720 4.340 0.000 0.000 0.322 89 Q C -1.551 174.470 176.000 0.035 0.000 0.861 89 Q CA -1.188 54.627 55.803 0.021 0.000 0.773 89 Q CB 0.920 29.665 28.738 0.013 0.000 1.423 89 Q HN 0.379 nan 8.270 nan 0.000 0.495 90 D N 2.121 122.558 120.400 0.062 0.000 2.342 90 D HA 0.082 4.722 4.640 0.000 0.000 0.260 90 D C -1.328 174.974 176.300 0.004 0.000 1.278 90 D CA -1.674 52.350 54.000 0.040 0.000 0.910 90 D CB 1.138 41.965 40.800 0.045 0.000 1.079 90 D HN 0.287 nan 8.370 nan 0.000 0.496 91 P HA -0.198 nan 4.420 nan 0.000 0.216 91 P C 1.323 178.606 177.300 -0.030 0.000 1.150 91 P CA 1.139 64.221 63.100 -0.029 0.000 0.837 91 P CB 0.543 32.227 31.700 -0.028 0.000 0.786 92 K N 0.091 120.479 120.400 -0.019 0.000 1.984 92 K HA -0.074 4.246 4.320 0.000 0.000 0.209 92 K C 2.368 178.951 176.600 -0.028 0.000 1.046 92 K CA 1.563 57.837 56.287 -0.021 0.000 0.934 92 K CB -0.736 31.756 32.500 -0.013 0.000 0.717 92 K HN -0.062 nan 8.250 nan 0.000 0.438 93 A N 0.656 123.464 122.820 -0.020 0.000 1.908 93 A HA -0.111 4.209 4.320 0.000 0.000 0.218 93 A C 2.331 179.888 177.584 -0.044 0.000 1.181 93 A CA 2.116 54.137 52.037 -0.027 0.000 0.627 93 A CB -1.410 17.588 19.000 -0.003 0.000 0.818 93 A HN 0.583 nan 8.150 nan 0.000 0.445 94 G N -1.007 107.771 108.800 -0.037 0.000 2.480 94 G HA2 -0.319 3.641 3.960 0.000 0.000 0.216 94 G HA3 -0.319 3.641 3.960 0.000 0.000 0.216 94 G C 1.629 176.482 174.900 -0.079 0.000 1.200 94 G CA 1.102 46.169 45.100 -0.056 0.000 0.782 94 G HN 0.615 nan 8.290 nan 0.000 0.554 95 Q N -0.488 119.270 119.800 -0.071 0.000 2.152 95 Q HA -0.135 4.205 4.340 0.000 0.000 0.206 95 Q C 2.479 178.431 176.000 -0.080 0.000 0.985 95 Q CA 1.369 57.125 55.803 -0.078 0.000 0.863 95 Q CB -0.204 28.497 28.738 -0.062 0.000 0.904 95 Q HN 0.411 nan 8.270 nan 0.000 0.422 96 L N 0.453 121.631 121.223 -0.074 0.000 1.994 96 L HA -0.179 4.161 4.340 0.000 0.000 0.208 96 L C 2.221 179.018 176.870 -0.121 0.000 1.071 96 L CA 1.510 56.304 54.840 -0.076 0.000 0.745 96 L CB -0.774 41.244 42.059 -0.069 0.000 0.892 96 L HN 0.360 nan 8.230 nan 0.000 0.431 97 L N -1.107 120.012 121.223 -0.174 0.000 2.131 97 L HA -0.171 4.169 4.340 0.000 0.000 0.210 97 L C 2.688 179.401 176.870 -0.262 0.000 1.092 97 L CA 2.026 56.678 54.840 -0.314 0.000 0.759 97 L CB -0.941 40.930 42.059 -0.313 0.000 0.903 97 L HN 0.484 nan 8.230 nan 0.000 0.435 98 S N -0.808 114.791 115.700 -0.167 0.000 2.368 98 S HA -0.216 4.254 4.470 0.000 0.000 0.225 98 S C 1.834 176.348 174.600 -0.142 0.000 1.030 98 S CA 1.602 59.705 58.200 -0.162 0.000 0.999 98 S CB -0.238 62.868 63.200 -0.156 0.000 0.844 98 S HN 0.665 nan 8.310 nan 0.000 0.459 99 E N 0.773 120.915 120.200 -0.096 0.000 2.031 99 E HA -0.109 4.241 4.350 0.000 0.000 0.193 99 E C 2.234 178.852 176.600 0.030 0.000 0.994 99 E CA 1.465 57.840 56.400 -0.041 0.000 0.800 99 E CB -0.396 29.294 29.700 -0.017 0.000 0.752 99 E HN 0.476 nan 8.360 nan 0.000 0.447 100 L N 0.076 121.325 121.223 0.043 0.000 2.042 100 L HA -0.176 4.164 4.340 0.000 0.000 0.210 100 L C 2.360 179.460 176.870 0.383 0.000 1.076 100 L CA 0.921 55.877 54.840 0.192 0.000 0.749 100 L CB -0.296 41.820 42.059 0.095 0.000 0.893 100 L HN 0.116 nan 8.230 nan 0.000 0.432 101 F N -0.588 119.335 119.950 -0.045 0.000 2.569 101 F HA 0.066 4.593 4.527 0.000 0.000 0.295 101 F C 1.834 177.308 175.800 -0.545 0.000 1.115 101 F CA -0.241 57.610 58.000 -0.248 0.000 1.450 101 F CB -0.997 37.894 39.000 -0.181 0.000 1.107 101 F HN -0.066 nan 8.300 nan 0.000 0.563 102 T N 1.785 116.176 114.554 -0.270 0.000 2.856 102 T HA -0.096 4.255 4.350 0.000 0.000 0.329 102 T C 1.248 175.708 174.700 -0.401 0.000 1.094 102 T CA 0.446 62.280 62.100 -0.443 0.000 1.112 102 T CB 0.325 69.017 68.868 -0.293 0.000 1.009 102 T HN 0.431 nan 8.240 nan 0.000 0.550 103 N N 2.408 120.845 118.700 -0.438 0.000 2.171 103 N HA 0.036 4.776 4.740 0.000 0.000 0.212 103 N C 0.304 175.670 175.510 -0.240 0.000 1.184 103 N CA -0.450 52.394 53.050 -0.344 0.000 0.888 103 N CB 0.142 38.414 38.487 -0.358 0.000 1.038 103 N HN 0.741 nan 8.380 nan 0.000 0.517 104 R N 1.228 121.601 120.500 -0.212 0.000 2.528 104 R HA 0.315 4.655 4.340 0.000 0.000 0.271 104 R C 1.230 177.473 176.300 -0.095 0.000 1.056 104 R CA -0.674 55.346 56.100 -0.133 0.000 1.117 104 R CB 1.126 31.352 30.300 -0.123 0.000 1.085 104 R HN -0.076 nan 8.270 nan 0.000 0.530 105 K N 0.919 121.289 120.400 -0.049 0.000 2.000 105 K HA -0.257 4.064 4.320 0.000 0.000 0.218 105 K C -0.147 176.442 176.600 -0.017 0.000 1.053 105 K CA 1.859 58.136 56.287 -0.017 0.000 0.946 105 K CB -0.510 31.994 32.500 0.007 0.000 0.723 105 K HN 0.811 nan 8.250 nan 0.000 0.446 106 E N 1.214 121.398 120.200 -0.027 0.000 2.204 106 E HA 0.185 4.535 4.350 0.000 0.000 0.276 106 E C -1.145 175.414 176.600 -0.068 0.000 0.974 106 E CA -0.937 55.444 56.400 -0.032 0.000 0.815 106 E CB 1.293 30.980 29.700 -0.021 0.000 1.119 106 E HN 0.259 nan 8.360 nan 0.000 0.393 107 N N 2.819 121.476 118.700 -0.071 0.000 2.530 107 N HA 0.090 4.830 4.740 0.000 0.000 0.273 107 N C -0.579 174.854 175.510 -0.128 0.000 1.173 107 N CA -0.607 52.376 53.050 -0.111 0.000 0.967 107 N CB 0.556 38.988 38.487 -0.092 0.000 1.109 107 N HN 0.422 nan 8.380 nan 0.000 0.453 108 I N 4.942 125.395 120.570 -0.195 0.000 2.297 108 I HA 0.265 4.435 4.170 0.000 0.000 0.291 108 I C -1.797 174.209 176.117 -0.185 0.000 1.033 108 I CA -2.405 58.762 61.300 -0.221 0.000 1.253 108 I CB 0.407 38.148 38.000 -0.431 0.000 1.396 108 I HN 0.459 nan 8.210 nan 0.000 0.476 109 P HA 0.321 nan 4.420 nan 0.000 0.271 109 P C -0.925 176.315 177.300 -0.100 0.000 1.218 109 P CA -0.164 62.877 63.100 -0.098 0.000 0.780 109 P CB 1.433 33.093 31.700 -0.066 0.000 0.901 110 L N 1.633 122.799 121.223 -0.095 0.000 2.350 110 L HA 0.513 4.853 4.340 0.000 0.000 0.260 110 L C 0.603 177.427 176.870 -0.077 0.000 1.015 110 L CA -1.130 53.657 54.840 -0.088 0.000 0.821 110 L CB 2.284 44.279 42.059 -0.107 0.000 1.370 110 L HN 0.260 nan 8.230 nan 0.000 0.416 111 K N 1.522 121.878 120.400 -0.073 0.000 2.095 111 K HA 0.642 4.962 4.320 0.000 0.000 0.252 111 K C -0.975 175.572 176.600 -0.088 0.000 0.977 111 K CA -0.717 55.526 56.287 -0.073 0.000 0.900 111 K CB 1.685 34.145 32.500 -0.068 0.000 1.060 111 K HN 0.357 nan 8.250 nan 0.000 0.449 112 L N 0.617 121.784 121.223 -0.092 0.000 2.399 112 L HA 0.479 4.819 4.340 0.000 0.000 0.265 112 L C 0.181 176.972 176.870 -0.131 0.000 1.089 112 L CA -0.439 54.327 54.840 -0.123 0.000 0.802 112 L CB 1.586 43.569 42.059 -0.126 0.000 1.180 112 L HN 0.657 nan 8.230 nan 0.000 0.454 113 S N -0.517 115.076 115.700 -0.178 0.000 2.678 113 S HA 0.085 4.555 4.470 0.000 0.000 0.290 113 S C -0.014 174.443 174.600 -0.240 0.000 1.047 113 S CA -0.618 57.480 58.200 -0.171 0.000 0.851 113 S CB 1.166 64.306 63.200 -0.100 0.000 1.058 113 S HN 0.765 nan 8.310 nan 0.000 0.451 114 E N 1.002 121.051 120.200 -0.252 0.000 2.274 114 E HA -0.072 4.278 4.350 0.000 0.000 0.194 114 E C -0.174 176.322 176.600 -0.174 0.000 0.996 114 E CA 0.609 56.831 56.400 -0.297 0.000 0.840 114 E CB 0.092 29.666 29.700 -0.211 0.000 0.772 114 E HN 0.521 nan 8.360 nan 0.000 0.491 115 D N 0.009 120.349 120.400 -0.101 0.000 2.508 115 D HA -0.006 4.634 4.640 0.000 0.000 0.224 115 D C 0.080 176.442 176.300 0.104 0.000 1.171 115 D CA -0.203 53.784 54.000 -0.022 0.000 1.006 115 D CB -0.086 40.725 40.800 0.018 0.000 1.073 115 D HN 0.146 nan 8.370 nan 0.000 0.513 116 c N 1.892 120.516 118.600 0.040 0.000 3.911 116 c HA 0.333 4.903 4.570 0.000 0.000 0.318 116 c C 0.888 175.043 174.090 0.108 0.000 1.643 116 c CA -0.655 55.773 56.329 0.166 0.000 1.845 116 c CB -1.235 41.284 42.510 0.015 0.000 2.981 116 c HN 0.417 nan 8.230 nan 0.000 0.656 117 L N 2.439 123.499 121.223 -0.272 0.000 2.388 117 L HA 0.282 4.622 4.340 0.000 0.000 0.252 117 L C -0.656 175.717 176.870 -0.830 0.000 1.357 117 L CA 0.751 55.270 54.840 -0.534 0.000 1.214 117 L CB -1.031 40.535 42.059 -0.821 0.000 1.392 117 L HN 0.406 nan 8.230 nan 0.000 0.432 118 Y N 1.738 122.045 120.300 0.011 0.000 2.659 118 Y HA 0.723 5.273 4.550 0.000 0.000 0.333 118 Y C -0.078 176.005 175.900 0.304 0.000 1.064 118 Y CA -1.293 56.872 58.100 0.109 0.000 1.141 118 Y CB 1.845 40.308 38.460 0.005 0.000 1.316 118 Y HN 0.152 nan 8.280 nan 0.000 0.509 119 L N -0.302 121.103 121.223 0.304 0.000 2.466 119 L HA 0.712 5.053 4.340 0.000 0.000 0.258 119 L C -1.621 175.283 176.870 0.058 0.000 0.973 119 L CA -1.199 53.717 54.840 0.125 0.000 0.826 119 L CB 1.729 43.732 42.059 -0.094 0.000 1.372 119 L HN 0.400 nan 8.230 nan 0.000 0.409 120 N N 2.282 121.045 118.700 0.106 0.000 2.417 120 N HA 0.751 5.491 4.740 0.000 0.000 0.300 120 N C -1.078 174.461 175.510 0.049 0.000 1.102 120 N CA -0.208 52.882 53.050 0.067 0.000 0.886 120 N CB 2.378 40.972 38.487 0.178 0.000 1.203 120 N HN 0.723 nan 8.380 nan 0.000 0.496 121 I N 1.575 122.087 120.570 -0.096 0.000 2.545 121 I HA 0.317 4.487 4.170 0.000 0.000 0.292 121 I C -1.180 174.870 176.117 -0.111 0.000 1.040 121 I CA -0.756 60.524 61.300 -0.034 0.000 1.068 121 I CB 1.404 39.256 38.000 -0.246 0.000 1.251 121 I HN 0.343 nan 8.210 nan 0.000 0.424 122 Y N 3.298 123.702 120.300 0.174 0.000 2.426 122 Y HA 0.361 4.911 4.550 0.000 0.000 0.325 122 Y C 0.224 176.237 175.900 0.189 0.000 0.989 122 Y CA -0.717 57.492 58.100 0.182 0.000 1.284 122 Y CB 1.905 40.452 38.460 0.145 0.000 1.104 122 Y HN 0.348 nan 8.280 nan 0.000 0.481 123 T N 5.057 119.814 114.554 0.338 0.000 2.797 123 T HA 0.367 4.717 4.350 0.000 0.000 0.279 123 T C -2.071 172.786 174.700 0.263 0.000 0.991 123 T CA -2.315 59.967 62.100 0.304 0.000 0.979 123 T CB 1.336 70.423 68.868 0.366 0.000 0.943 123 T HN 0.345 nan 8.240 nan 0.000 0.444 124 P HA 0.281 nan 4.420 nan 0.000 0.259 124 P C 0.370 177.768 177.300 0.164 0.000 1.233 124 P CA -0.117 63.076 63.100 0.155 0.000 0.827 124 P CB 0.145 31.895 31.700 0.083 0.000 1.154 125 A N 1.174 124.100 122.820 0.178 0.000 2.492 125 A HA 0.033 4.353 4.320 0.000 0.000 0.236 125 A C 0.089 177.778 177.584 0.175 0.000 1.078 125 A CA 0.268 52.401 52.037 0.159 0.000 0.773 125 A CB -0.577 18.518 19.000 0.159 0.000 1.023 125 A HN 0.014 nan 8.150 nan 0.000 0.504 126 D N 1.458 121.938 120.400 0.134 0.000 2.468 126 D HA 0.344 4.984 4.640 0.000 0.000 0.218 126 D C 1.008 177.386 176.300 0.129 0.000 1.155 126 D CA -0.152 53.925 54.000 0.128 0.000 0.924 126 D CB -0.270 40.578 40.800 0.081 0.000 1.029 126 D HN 0.412 nan 8.370 nan 0.000 0.515 127 L N 2.209 123.536 121.223 0.173 0.000 2.270 127 L HA -0.222 4.118 4.340 0.000 0.000 0.217 127 L C 2.523 179.450 176.870 0.095 0.000 1.107 127 L CA 1.583 56.505 54.840 0.137 0.000 0.772 127 L CB -0.989 41.175 42.059 0.174 0.000 0.902 127 L HN 0.523 nan 8.230 nan 0.000 0.439 128 T N -1.817 112.797 114.554 0.100 0.000 2.849 128 T HA -0.150 4.200 4.350 0.000 0.000 0.270 128 T C 0.781 175.510 174.700 0.048 0.000 1.066 128 T CA 0.890 63.032 62.100 0.070 0.000 1.130 128 T CB -0.221 68.685 68.868 0.063 0.000 0.864 128 T HN 0.504 nan 8.240 nan 0.000 0.481 129 K N -0.169 120.261 120.400 0.050 0.000 2.409 129 K HA 0.511 4.831 4.320 0.000 0.000 0.252 129 K C -0.841 175.780 176.600 0.036 0.000 1.036 129 K CA -1.278 55.031 56.287 0.036 0.000 0.871 129 K CB 1.642 34.162 32.500 0.034 0.000 1.374 129 K HN -0.078 nan 8.250 nan 0.000 0.459 130 K N 1.313 121.729 120.400 0.026 0.000 2.382 130 K HA 0.089 4.409 4.320 0.000 0.000 0.275 130 K C -0.986 175.635 176.600 0.035 0.000 1.009 130 K CA 0.074 56.376 56.287 0.024 0.000 0.970 130 K CB 0.323 32.831 32.500 0.015 0.000 0.934 130 K HN 0.634 nan 8.250 nan 0.000 0.479 131 N N 2.929 121.654 118.700 0.042 0.000 2.367 131 N HA 0.236 4.976 4.740 0.000 0.000 0.278 131 N C -1.476 174.067 175.510 0.055 0.000 1.117 131 N CA -0.694 52.388 53.050 0.053 0.000 0.867 131 N CB 1.724 40.255 38.487 0.074 0.000 1.649 131 N HN 0.408 nan 8.380 nan 0.000 0.479 132 R N 1.376 121.906 120.500 0.050 0.000 2.681 132 R HA 0.434 4.775 4.340 0.000 0.000 0.277 132 R C -0.585 175.747 176.300 0.052 0.000 1.563 132 R CA -0.254 55.875 56.100 0.048 0.000 1.673 132 R CB 0.252 30.569 30.300 0.028 0.000 1.258 132 R HN 0.420 nan 8.270 nan 0.000 0.650 133 L N 2.456 123.722 121.223 0.071 0.000 2.395 133 L HA 0.465 4.805 4.340 0.000 0.000 0.269 133 L C -1.645 175.268 176.870 0.072 0.000 1.133 133 L CA -1.994 52.889 54.840 0.071 0.000 0.812 133 L CB 0.554 42.666 42.059 0.089 0.000 1.125 133 L HN 0.124 nan 8.230 nan 0.000 0.452 134 P HA 0.029 nan 4.420 nan 0.000 0.266 134 P C -0.785 176.561 177.300 0.077 0.000 1.195 134 P CA -0.063 63.069 63.100 0.054 0.000 0.768 134 P CB 0.932 32.648 31.700 0.027 0.000 0.838 135 V N 4.426 124.396 119.914 0.093 0.000 2.483 135 V HA 0.425 4.545 4.120 0.000 0.000 0.295 135 V C 0.582 176.742 176.094 0.110 0.000 1.035 135 V CA -0.466 61.906 62.300 0.119 0.000 0.896 135 V CB 1.354 33.261 31.823 0.140 0.000 0.986 135 V HN 0.501 nan 8.190 nan 0.000 0.447 136 M N 4.305 123.989 119.600 0.140 0.000 2.085 136 M HA 0.463 4.943 4.480 0.000 0.000 0.309 136 M C -1.189 175.367 176.300 0.427 0.000 0.947 136 M CA -0.504 54.885 55.300 0.148 0.000 0.918 136 M CB 1.952 34.494 32.600 -0.097 0.000 1.504 136 M HN 0.410 nan 8.290 nan 0.000 0.420 137 V N 3.541 123.715 119.914 0.434 0.000 2.383 137 V HA 0.313 4.433 4.120 0.000 0.000 0.275 137 V C -0.599 175.804 176.094 0.515 0.000 1.036 137 V CA -0.523 62.020 62.300 0.405 0.000 0.889 137 V CB 1.103 33.044 31.823 0.196 0.000 0.985 137 V HN 0.826 nan 8.190 nan 0.000 0.459 138 W N 6.872 128.263 121.300 0.152 0.000 2.433 138 W HA 0.651 5.311 4.660 0.000 0.000 0.315 138 W C -1.343 175.084 176.519 -0.152 0.000 1.087 138 W CA -0.954 56.251 57.345 -0.233 0.000 1.205 138 W CB 1.441 30.699 29.460 -0.336 0.000 1.288 138 W HN 0.432 nan 8.180 nan 0.000 0.504 139 I N 7.719 127.712 120.570 -0.962 0.000 2.390 139 I HA 0.064 4.234 4.170 0.000 0.000 0.283 139 I C 0.960 176.427 176.117 -1.083 0.000 1.016 139 I CA -0.822 60.044 61.300 -0.723 0.000 1.151 139 I CB 0.952 38.628 38.000 -0.540 0.000 1.293 139 I HN 0.390 nan 8.210 nan 0.000 0.458 140 H N 4.705 123.441 119.070 -0.558 0.000 2.757 140 H HA 0.350 4.906 4.556 0.000 0.000 0.370 140 H C 0.080 175.390 175.328 -0.029 0.000 1.172 140 H CA -0.332 55.534 56.048 -0.304 0.000 1.426 140 H CB 0.895 30.715 29.762 0.097 0.000 1.438 140 H HN 0.612 nan 8.280 nan 0.000 0.612 141 G N -1.423 107.524 108.800 0.244 0.000 2.583 141 G HA2 0.452 4.412 3.960 0.000 0.000 0.280 141 G HA3 0.452 4.412 3.960 0.000 0.000 0.280 141 G C 0.419 175.584 174.900 0.442 0.000 1.376 141 G CA -0.663 44.605 45.100 0.281 0.000 1.043 141 G HN 1.211 nan 8.290 nan 0.000 0.538 142 G N -2.855 106.148 108.800 0.339 0.000 2.215 142 G HA2 0.384 4.344 3.960 0.000 0.000 0.187 142 G HA3 0.384 4.344 3.960 0.000 0.000 0.187 142 G C 1.081 176.088 174.900 0.179 0.000 1.039 142 G CA 0.710 45.962 45.100 0.255 0.000 0.771 142 G HN 2.323 nan 8.290 nan 0.000 0.507 143 G N 0.188 109.083 108.800 0.158 0.000 2.258 143 G HA2 -0.163 3.798 3.960 0.000 0.000 0.274 143 G HA3 -0.163 3.798 3.960 0.000 0.000 0.274 143 G C 1.198 176.114 174.900 0.026 0.000 1.021 143 G CA 0.911 46.055 45.100 0.074 0.000 0.798 143 G HN 1.832 nan 8.290 nan 0.000 0.507 144 L N -3.801 117.476 121.223 0.089 0.000 4.884 144 L HA -0.288 4.052 4.340 0.000 0.000 0.430 144 L C 2.045 179.025 176.870 0.184 0.000 1.087 144 L CA 1.663 56.571 54.840 0.114 0.000 1.033 144 L CB -1.521 40.358 42.059 -0.300 0.000 2.030 144 L HN 0.437 nan 8.230 nan 0.000 0.762 145 M N -1.088 118.609 119.600 0.162 0.000 2.538 145 M HA 0.347 4.827 4.480 0.000 0.000 0.259 145 M C 0.757 177.162 176.300 0.176 0.000 1.217 145 M CA 1.125 56.544 55.300 0.197 0.000 1.131 145 M CB 0.751 33.455 32.600 0.175 0.000 1.382 145 M HN 0.266 nan 8.290 nan 0.000 0.520 146 V N -3.208 116.793 119.914 0.145 0.000 3.202 146 V HA 1.032 5.152 4.120 0.000 0.000 0.306 146 V C -0.407 175.757 176.094 0.116 0.000 1.283 146 V CA -0.260 62.096 62.300 0.094 0.000 1.065 146 V CB 1.301 33.156 31.823 0.053 0.000 1.079 146 V HN 0.473 nan 8.190 nan 0.000 0.448 147 G N -0.742 108.055 108.800 -0.006 0.000 2.406 147 G HA2 0.643 4.603 3.960 0.000 0.000 0.680 147 G HA3 0.643 4.603 3.960 0.000 0.000 0.680 147 G C -0.672 173.885 174.900 -0.572 0.000 1.338 147 G CA -0.106 44.889 45.100 -0.174 0.000 0.941 147 G HN 2.717 nan 8.290 nan 0.000 0.633 148 A N -1.069 121.237 122.820 -0.857 0.000 2.599 148 A HA 1.058 5.378 4.320 0.000 0.000 0.290 148 A C 0.767 178.171 177.584 -0.300 0.000 1.101 148 A CA 0.659 52.366 52.037 -0.550 0.000 0.674 148 A CB 0.821 19.683 19.000 -0.229 0.000 1.277 148 A HN 2.536 nan 8.150 nan 0.000 0.419 149 A N -0.039 122.786 122.820 0.010 0.000 1.935 149 A HA 0.198 4.518 4.320 0.000 0.000 0.214 149 A C 1.866 179.585 177.584 0.225 0.000 1.178 149 A CA 1.990 54.171 52.037 0.239 0.000 0.640 149 A CB -0.753 18.410 19.000 0.273 0.000 0.825 149 A HN 1.156 nan 8.150 nan 0.000 0.447 150 S N 0.222 115.982 115.700 0.100 0.000 2.500 150 S HA -0.108 4.362 4.470 0.000 0.000 0.239 150 S C 1.681 176.192 174.600 -0.149 0.000 0.989 150 S CA 1.482 59.685 58.200 0.005 0.000 0.951 150 S CB -0.500 62.627 63.200 -0.122 0.000 0.759 150 S HN 0.655 nan 8.310 nan 0.000 0.523 151 T N 0.912 115.388 114.554 -0.130 0.000 2.962 151 T HA -0.031 4.319 4.350 0.000 0.000 0.270 151 T C -0.206 174.084 174.700 -0.683 0.000 1.088 151 T CA 0.983 62.844 62.100 -0.399 0.000 1.127 151 T CB -0.211 68.377 68.868 -0.466 0.000 0.883 151 T HN 0.417 nan 8.240 nan 0.000 0.493 152 Y N 1.423 121.506 120.300 -0.362 0.000 2.334 152 Y HA 0.482 5.032 4.550 0.000 0.000 0.336 152 Y C -0.173 175.408 175.900 -0.531 0.000 0.960 152 Y CA -2.602 55.081 58.100 -0.695 0.000 1.164 152 Y CB 0.602 38.296 38.460 -1.277 0.000 1.155 152 Y HN -0.126 nan 8.280 nan 0.000 0.478 153 D N 2.235 122.405 120.400 -0.383 0.000 2.313 153 D HA 0.219 4.859 4.640 0.000 0.000 0.239 153 D C 0.852 176.842 176.300 -0.517 0.000 1.142 153 D CA -0.209 53.596 54.000 -0.325 0.000 0.847 153 D CB 1.527 42.248 40.800 -0.130 0.000 1.082 153 D HN 0.848 nan 8.370 nan 0.000 0.480 154 G N 3.366 111.437 108.800 -1.214 0.000 3.327 154 G HA2 -0.029 3.931 3.960 0.000 0.000 0.240 154 G HA3 -0.029 3.931 3.960 0.000 0.000 0.240 154 G C 1.172 175.810 174.900 -0.437 0.000 1.222 154 G CA -0.198 44.440 45.100 -0.771 0.000 0.871 154 G HN 0.475 nan 8.290 nan 0.000 0.525 155 L N 1.406 122.473 121.223 -0.260 0.000 1.961 155 L HA 0.112 4.452 4.340 0.000 0.000 0.210 155 L C 2.929 179.778 176.870 -0.035 0.000 1.072 155 L CA 2.520 57.363 54.840 0.006 0.000 0.749 155 L CB -0.761 41.342 42.059 0.073 0.000 0.889 155 L HN 0.202 nan 8.230 nan 0.000 0.432 156 A N -0.617 122.197 122.820 -0.010 0.000 1.865 156 A HA -0.244 4.076 4.320 0.000 0.000 0.217 156 A C 2.278 179.857 177.584 -0.008 0.000 1.191 156 A CA 2.150 54.207 52.037 0.034 0.000 0.623 156 A CB -1.255 17.796 19.000 0.086 0.000 0.826 156 A HN 0.503 nan 8.150 nan 0.000 0.444 157 L N -0.225 120.981 121.223 -0.029 0.000 2.013 157 L HA -0.191 4.149 4.340 0.000 0.000 0.212 157 L C 2.781 179.637 176.870 -0.023 0.000 1.073 157 L CA 2.427 57.243 54.840 -0.040 0.000 0.753 157 L CB -0.935 41.100 42.059 -0.039 0.000 0.890 157 L HN 0.405 nan 8.230 nan 0.000 0.432 158 A N -0.897 121.916 122.820 -0.012 0.000 1.865 158 A HA -0.139 4.181 4.320 0.000 0.000 0.217 158 A C 2.424 179.960 177.584 -0.081 0.000 1.191 158 A CA 2.226 54.271 52.037 0.013 0.000 0.623 158 A CB -1.248 17.810 19.000 0.096 0.000 0.826 158 A HN 0.575 nan 8.150 nan 0.000 0.444 159 A N -1.486 121.181 122.820 -0.256 0.000 1.873 159 A HA -0.159 4.161 4.320 0.000 0.000 0.215 159 A C 2.089 179.283 177.584 -0.650 0.000 1.186 159 A CA 1.493 53.150 52.037 -0.634 0.000 0.616 159 A CB -0.965 17.322 19.000 -1.188 0.000 0.823 159 A HN 0.662 nan 8.150 nan 0.000 0.442 160 H N -0.673 118.110 119.070 -0.478 0.000 2.421 160 H HA -0.024 4.532 4.556 0.000 0.000 0.298 160 H C 0.763 176.080 175.328 -0.018 0.000 1.087 160 H CA 1.564 57.526 56.048 -0.143 0.000 1.330 160 H CB 0.302 29.907 29.762 -0.261 0.000 1.388 160 H HN 0.423 nan 8.280 nan 0.000 0.526 161 E N 0.115 120.352 120.200 0.062 0.000 2.660 161 E HA 0.003 4.353 4.350 0.000 0.000 0.216 161 E C -0.090 176.541 176.600 0.052 0.000 0.986 161 E CA -0.309 56.127 56.400 0.060 0.000 1.037 161 E CB -0.030 29.697 29.700 0.044 0.000 1.041 161 E HN 0.312 nan 8.360 nan 0.000 0.480 162 N N 1.250 119.976 118.700 0.044 0.000 2.688 162 N HA -0.172 4.568 4.740 0.000 0.000 0.258 162 N C -0.523 175.025 175.510 0.063 0.000 1.016 162 N CA 0.854 53.938 53.050 0.055 0.000 0.747 162 N CB -0.937 37.591 38.487 0.068 0.000 0.895 162 N HN 0.049 nan 8.380 nan 0.000 0.543 163 V N -2.443 117.510 119.914 0.065 0.000 3.040 163 V HA 0.698 4.818 4.120 0.000 0.000 0.312 163 V C 0.375 176.539 176.094 0.115 0.000 1.115 163 V CA -1.009 61.338 62.300 0.079 0.000 0.998 163 V CB 2.232 34.088 31.823 0.056 0.000 1.042 163 V HN -0.103 nan 8.190 nan 0.000 0.433 164 V N 2.818 122.814 119.914 0.137 0.000 2.368 164 V HA 0.356 4.476 4.120 0.000 0.000 0.266 164 V C 0.148 176.367 176.094 0.208 0.000 1.045 164 V CA -0.279 62.130 62.300 0.182 0.000 0.899 164 V CB 1.081 33.011 31.823 0.178 0.000 1.006 164 V HN 0.709 nan 8.190 nan 0.000 0.470 165 V N 6.402 126.475 119.914 0.265 0.000 2.383 165 V HA 0.390 4.510 4.120 0.000 0.000 0.275 165 V C 0.005 176.337 176.094 0.396 0.000 1.036 165 V CA -0.379 62.114 62.300 0.322 0.000 0.889 165 V CB 1.652 33.632 31.823 0.261 0.000 0.985 165 V HN 0.598 nan 8.190 nan 0.000 0.459 166 V N 4.455 124.587 119.914 0.365 0.000 2.407 166 V HA 0.469 4.589 4.120 0.000 0.000 0.291 166 V C 0.222 176.516 176.094 0.333 0.000 1.018 166 V CA -0.516 61.965 62.300 0.303 0.000 0.842 166 V CB 2.122 34.059 31.823 0.192 0.000 0.996 166 V HN 0.986 nan 8.190 nan 0.000 0.426 167 T N 3.823 118.579 114.554 0.337 0.000 2.758 167 T HA 0.783 5.133 4.350 0.000 0.000 0.285 167 T C -0.385 174.463 174.700 0.246 0.000 0.981 167 T CA -0.484 61.820 62.100 0.340 0.000 0.965 167 T CB 1.153 70.239 68.868 0.363 0.000 0.927 167 T HN 0.638 nan 8.240 nan 0.000 0.448 168 I N 0.342 121.036 120.570 0.207 0.000 2.750 168 I HA 0.645 4.815 4.170 0.000 0.000 0.308 168 I C -0.569 175.726 176.117 0.296 0.000 1.016 168 I CA -1.225 60.163 61.300 0.148 0.000 1.098 168 I CB 1.907 39.881 38.000 -0.043 0.000 1.279 168 I HN 0.543 nan 8.210 nan 0.000 0.454 169 Q N 2.855 122.867 119.800 0.354 0.000 2.348 169 Q HA 0.563 4.903 4.340 0.000 0.000 0.271 169 Q C -1.827 174.432 176.000 0.431 0.000 1.067 169 Q CA -0.794 55.223 55.803 0.357 0.000 0.839 169 Q CB 2.735 31.634 28.738 0.269 0.000 1.354 169 Q HN 0.734 nan 8.270 nan 0.000 0.447 170 Y N -2.551 117.902 120.300 0.255 0.000 2.597 170 Y HA 0.541 5.091 4.550 0.000 0.000 0.340 170 Y C -0.845 175.150 175.900 0.159 0.000 1.097 170 Y CA -1.485 56.732 58.100 0.195 0.000 1.037 170 Y CB 0.855 39.387 38.460 0.120 0.000 1.305 170 Y HN 0.395 nan 8.280 nan 0.000 0.463 171 R N 2.141 122.780 120.500 0.232 0.000 2.538 171 R HA 0.349 4.689 4.340 0.000 0.000 0.282 171 R C -0.843 175.604 176.300 0.246 0.000 1.009 171 R CA 0.171 56.367 56.100 0.159 0.000 1.063 171 R CB 0.153 30.551 30.300 0.164 0.000 0.945 171 R HN 0.666 nan 8.270 nan 0.000 0.414 172 L N 1.588 122.962 121.223 0.252 0.000 2.298 172 L HA 0.525 4.865 4.340 0.000 0.000 0.268 172 L C 1.376 178.589 176.870 0.572 0.000 1.010 172 L CA -0.550 54.532 54.840 0.403 0.000 0.812 172 L CB 1.241 43.435 42.059 0.225 0.000 1.331 172 L HN 0.872 nan 8.230 nan 0.000 0.450 173 G N 0.370 109.518 108.800 0.580 0.000 2.627 173 G HA2 -0.338 3.622 3.960 0.000 0.000 0.312 173 G HA3 -0.338 3.622 3.960 0.000 0.000 0.312 173 G C 0.835 176.082 174.900 0.579 0.000 1.299 173 G CA 0.653 46.095 45.100 0.570 0.000 0.989 173 G HN 0.657 nan 8.290 nan 0.000 0.547 174 I N -0.454 120.380 120.570 0.440 0.000 2.163 174 I HA -0.198 3.972 4.170 0.000 0.000 0.243 174 I C 2.814 179.193 176.117 0.436 0.000 1.085 174 I CA 2.317 63.786 61.300 0.283 0.000 1.347 174 I CB -0.346 37.559 38.000 -0.159 0.000 1.044 174 I HN 0.559 nan 8.210 nan 0.000 0.408 175 W N 0.610 122.122 121.300 0.355 0.000 2.350 175 W HA -0.118 4.542 4.660 0.000 0.000 0.289 175 W C 2.196 178.868 176.519 0.255 0.000 1.215 175 W CA 1.230 58.691 57.345 0.193 0.000 1.236 175 W CB -0.708 28.771 29.460 0.032 0.000 1.130 175 W HN 0.266 nan 8.180 nan 0.000 0.541 176 G N -2.816 106.258 108.800 0.457 0.000 3.062 176 G HA2 0.130 4.090 3.960 0.000 0.000 0.228 176 G HA3 0.130 4.090 3.960 0.000 0.000 0.228 176 G C 0.544 175.113 174.900 -0.553 0.000 1.094 176 G CA -0.047 45.072 45.100 0.031 0.000 0.782 176 G HN 0.108 nan 8.290 nan 0.000 0.541 177 F N -0.791 119.416 119.950 0.428 0.000 2.899 177 F HA 0.412 4.939 4.527 0.000 0.000 0.337 177 F C 0.232 176.130 175.800 0.165 0.000 1.129 177 F CA -1.676 56.428 58.000 0.173 0.000 1.128 177 F CB 0.251 39.282 39.000 0.052 0.000 1.154 177 F HN 0.010 nan 8.300 nan 0.000 0.531 178 F N 2.187 122.318 119.950 0.302 0.000 2.578 178 F HA 0.386 4.913 4.527 0.000 0.000 0.376 178 F C 0.403 176.250 175.800 0.079 0.000 1.085 178 F CA 0.252 58.310 58.000 0.097 0.000 1.260 178 F CB 0.518 39.424 39.000 -0.157 0.000 1.095 178 F HN -0.097 nan 8.300 nan 0.000 0.573 179 S N 3.506 118.711 115.700 -0.825 0.000 2.548 179 S HA 0.329 4.799 4.470 0.000 0.000 0.276 179 S C 0.311 174.510 174.600 -0.669 0.000 1.129 179 S CA -0.069 57.800 58.200 -0.552 0.000 0.931 179 S CB 1.349 64.380 63.200 -0.280 0.000 1.068 179 S HN 0.851 nan 8.310 nan 0.000 0.480 180 T N 0.773 115.098 114.554 -0.382 0.000 3.107 180 T HA 0.370 4.720 4.350 0.000 0.000 0.249 180 T C 1.483 176.112 174.700 -0.118 0.000 1.096 180 T CA 0.654 62.623 62.100 -0.218 0.000 1.012 180 T CB -0.203 68.659 68.868 -0.009 0.000 0.977 180 T HN 1.861 nan 8.240 nan 0.000 0.527 181 G N 2.218 110.941 108.800 -0.129 0.000 2.155 181 G HA2 -0.206 3.754 3.960 0.000 0.000 0.257 181 G HA3 -0.206 3.754 3.960 0.000 0.000 0.257 181 G C -0.269 174.597 174.900 -0.056 0.000 0.983 181 G CA 0.446 45.490 45.100 -0.093 0.000 0.676 181 G HN 0.963 nan 8.290 nan 0.000 0.528 182 D N -2.141 118.239 120.400 -0.034 0.000 2.798 182 D HA 0.442 5.082 4.640 0.000 0.000 0.308 182 D C 1.216 177.484 176.300 -0.054 0.000 1.187 182 D CA -0.113 53.864 54.000 -0.038 0.000 1.033 182 D CB -0.228 40.566 40.800 -0.011 0.000 1.445 182 D HN 0.104 nan 8.370 nan 0.000 0.550 183 E N -0.377 119.733 120.200 -0.150 0.000 2.515 183 E HA -0.186 4.164 4.350 0.000 0.000 0.201 183 E C 0.545 177.053 176.600 -0.153 0.000 1.071 183 E CA 0.954 57.259 56.400 -0.160 0.000 0.880 183 E CB -0.541 29.035 29.700 -0.206 0.000 0.828 183 E HN 0.494 nan 8.360 nan 0.000 0.540 184 H N 0.374 119.508 119.070 0.106 0.000 2.544 184 H HA 0.197 4.753 4.556 0.000 0.000 0.269 184 H C 0.320 175.774 175.328 0.210 0.000 0.970 184 H CA 0.851 56.979 56.048 0.133 0.000 1.219 184 H CB 0.692 30.517 29.762 0.104 0.000 1.421 184 H HN 0.134 nan 8.280 nan 0.000 0.555 185 S N -0.091 115.804 115.700 0.325 0.000 2.855 185 S HA 0.165 4.635 4.470 0.000 0.000 0.140 185 S C 0.857 175.639 174.600 0.304 0.000 1.025 185 S CA -0.555 57.940 58.200 0.492 0.000 1.053 185 S CB 0.005 63.470 63.200 0.442 0.000 1.695 185 S HN 0.163 nan 8.310 nan 0.000 0.502 186 R N 1.337 121.948 120.500 0.184 0.000 2.113 186 R HA 0.084 4.425 4.340 0.000 0.000 0.244 186 R C 1.484 177.602 176.300 -0.304 0.000 1.142 186 R CA 1.665 57.707 56.100 -0.096 0.000 0.953 186 R CB -0.326 29.889 30.300 -0.142 0.000 0.860 186 R HN 0.879 nan 8.270 nan 0.000 0.438 187 G N -1.032 107.315 108.800 -0.755 0.000 2.396 187 G HA2 -0.200 3.760 3.960 0.000 0.000 0.254 187 G HA3 -0.200 3.760 3.960 0.000 0.000 0.254 187 G C -0.800 173.290 174.900 -1.350 0.000 1.248 187 G CA -0.377 44.138 45.100 -0.975 0.000 1.033 187 G HN 0.258 nan 8.290 nan 0.000 0.502 188 N N -0.918 117.348 118.700 -0.724 0.000 2.725 188 N HA -0.193 4.547 4.740 0.000 0.000 0.249 188 N C 1.054 176.261 175.510 -0.505 0.000 1.103 188 N CA 1.924 54.738 53.050 -0.394 0.000 0.707 188 N CB -1.456 36.962 38.487 -0.115 0.000 1.043 188 N HN 0.688 nan 8.380 nan 0.000 0.553 189 W N 0.229 121.391 121.300 -0.229 0.000 2.388 189 W HA 0.013 4.673 4.660 0.000 0.000 0.294 189 W C 2.448 178.843 176.519 -0.208 0.000 1.212 189 W CA 0.645 57.907 57.345 -0.137 0.000 1.271 189 W CB -0.644 28.783 29.460 -0.055 0.000 1.126 189 W HN 0.272 nan 8.180 nan 0.000 0.535 190 G N 0.362 108.907 108.800 -0.425 0.000 2.446 190 G HA2 -0.289 3.671 3.960 0.000 0.000 0.217 190 G HA3 -0.289 3.671 3.960 0.000 0.000 0.217 190 G C 1.271 176.130 174.900 -0.067 0.000 1.168 190 G CA 1.453 46.405 45.100 -0.246 0.000 0.771 190 G HN 0.286 nan 8.290 nan 0.000 0.551 191 H N 0.315 119.372 119.070 -0.021 0.000 2.421 191 H HA 0.081 4.637 4.556 0.000 0.000 0.298 191 H C 2.712 178.036 175.328 -0.006 0.000 1.087 191 H CA 0.805 56.840 56.048 -0.022 0.000 1.330 191 H CB -0.257 29.512 29.762 0.011 0.000 1.388 191 H HN 0.277 nan 8.280 nan 0.000 0.526 192 L N 0.350 121.661 121.223 0.147 0.000 2.201 192 L HA -0.132 4.208 4.340 0.000 0.000 0.212 192 L C 1.919 178.902 176.870 0.188 0.000 1.105 192 L CA 0.783 55.717 54.840 0.156 0.000 0.775 192 L CB -0.158 42.017 42.059 0.193 0.000 0.913 192 L HN 0.101 nan 8.230 nan 0.000 0.440 193 D N -0.162 120.367 120.400 0.213 0.000 2.144 193 D HA -0.169 4.471 4.640 0.000 0.000 0.200 193 D C 2.242 178.688 176.300 0.244 0.000 0.978 193 D CA 0.999 55.188 54.000 0.316 0.000 0.833 193 D CB 0.012 41.031 40.800 0.366 0.000 0.961 193 D HN 0.362 nan 8.370 nan 0.000 0.470 194 Q N 0.135 119.998 119.800 0.105 0.000 2.050 194 Q HA -0.084 4.256 4.340 0.000 0.000 0.202 194 Q C 2.332 178.320 176.000 -0.019 0.000 0.980 194 Q CA 0.890 56.678 55.803 -0.027 0.000 0.840 194 Q CB 0.082 28.753 28.738 -0.111 0.000 0.898 194 Q HN 0.118 nan 8.270 nan 0.000 0.424 195 V N 0.533 120.472 119.914 0.041 0.000 2.626 195 V HA -0.215 3.905 4.120 0.000 0.000 0.252 195 V C 2.038 178.194 176.094 0.102 0.000 1.067 195 V CA 1.555 63.894 62.300 0.063 0.000 1.081 195 V CB -0.882 30.991 31.823 0.084 0.000 0.686 195 V HN 0.382 nan 8.190 nan 0.000 0.468 196 A N 0.150 123.062 122.820 0.153 0.000 1.930 196 A HA 0.074 4.394 4.320 0.000 0.000 0.215 196 A C 2.414 180.121 177.584 0.205 0.000 1.176 196 A CA 1.580 53.763 52.037 0.243 0.000 0.632 196 A CB -0.590 18.631 19.000 0.367 0.000 0.819 196 A HN 0.520 nan 8.150 nan 0.000 0.445 197 A N -0.170 122.587 122.820 -0.104 0.000 1.930 197 A HA 0.011 4.331 4.320 0.000 0.000 0.217 197 A C 2.129 179.655 177.584 -0.096 0.000 1.175 197 A CA 1.324 53.017 52.037 -0.573 0.000 0.627 197 A CB -0.555 17.816 19.000 -1.049 0.000 0.815 197 A HN 0.453 nan 8.150 nan 0.000 0.443 198 L N -1.076 120.135 121.223 -0.021 0.000 2.083 198 L HA -0.194 4.147 4.340 0.000 0.000 0.209 198 L C 2.872 179.814 176.870 0.120 0.000 1.083 198 L CA 1.394 56.268 54.840 0.057 0.000 0.752 198 L CB -0.440 41.649 42.059 0.050 0.000 0.899 198 L HN 0.378 nan 8.230 nan 0.000 0.433 199 R N -1.194 119.390 120.500 0.140 0.000 2.096 199 R HA -0.228 4.112 4.340 0.000 0.000 0.235 199 R C 2.078 178.478 176.300 0.166 0.000 1.127 199 R CA 1.878 58.061 56.100 0.138 0.000 0.968 199 R CB -0.487 29.901 30.300 0.147 0.000 0.861 199 R HN 0.400 nan 8.270 nan 0.000 0.440 200 W N 0.875 122.218 121.300 0.072 0.000 2.338 200 W HA -0.226 4.434 4.660 0.000 0.000 0.304 200 W C 1.808 178.367 176.519 0.068 0.000 1.212 200 W CA 1.284 58.690 57.345 0.100 0.000 1.264 200 W CB -0.164 29.389 29.460 0.156 0.000 1.142 200 W HN -0.215 nan 8.180 nan 0.000 0.512 201 V N 0.852 120.997 119.914 0.385 0.000 2.295 201 V HA -0.362 3.758 4.120 0.000 0.000 0.246 201 V C 2.563 178.686 176.094 0.048 0.000 1.049 201 V CA 2.168 64.621 62.300 0.254 0.000 1.024 201 V CB -1.001 30.953 31.823 0.218 0.000 0.648 201 V HN 0.210 nan 8.190 nan 0.000 0.447 202 Q N -0.363 119.464 119.800 0.045 0.000 2.135 202 Q HA -0.211 4.129 4.340 0.000 0.000 0.204 202 Q C 1.856 177.818 176.000 -0.064 0.000 0.981 202 Q CA 1.605 57.414 55.803 0.010 0.000 0.856 202 Q CB -0.434 28.321 28.738 0.028 0.000 0.902 202 Q HN 0.665 nan 8.270 nan 0.000 0.425 203 D N -0.758 119.553 120.400 -0.149 0.000 2.354 203 D HA 0.025 4.665 4.640 0.000 0.000 0.209 203 D C 1.083 177.178 176.300 -0.342 0.000 1.015 203 D CA 0.323 54.187 54.000 -0.227 0.000 0.867 203 D CB 0.247 40.895 40.800 -0.252 0.000 0.933 203 D HN 0.236 nan 8.370 nan 0.000 0.520 204 N N -0.104 118.314 118.700 -0.470 0.000 2.430 204 N HA 0.008 4.749 4.740 0.000 0.000 0.235 204 N C 1.623 177.063 175.510 -0.117 0.000 1.108 204 N CA -0.218 52.537 53.050 -0.492 0.000 0.834 204 N CB 0.755 38.520 38.487 -1.203 0.000 1.430 204 N HN -0.048 nan 8.380 nan 0.000 0.463 205 I N 2.862 123.415 120.570 -0.028 0.000 2.367 205 I HA -0.254 3.916 4.170 0.000 0.000 0.256 205 I C 2.074 178.327 176.117 0.227 0.000 1.132 205 I CA 0.771 62.201 61.300 0.216 0.000 1.397 205 I CB -0.315 37.777 38.000 0.152 0.000 1.074 205 I HN 0.117 nan 8.210 nan 0.000 0.435 206 A N -1.386 121.485 122.820 0.085 0.000 2.070 206 A HA -0.146 4.174 4.320 0.000 0.000 0.220 206 A C 2.383 179.979 177.584 0.019 0.000 1.159 206 A CA 1.800 53.865 52.037 0.048 0.000 0.656 206 A CB -0.707 18.291 19.000 -0.004 0.000 0.800 206 A HN 0.446 nan 8.150 nan 0.000 0.453 207 S N -1.184 114.495 115.700 -0.036 0.000 2.561 207 S HA 0.096 4.566 4.470 0.000 0.000 0.225 207 S C 0.493 174.866 174.600 -0.379 0.000 0.977 207 S CA 0.483 58.538 58.200 -0.243 0.000 0.926 207 S CB -0.324 62.623 63.200 -0.423 0.000 0.769 207 S HN 0.588 nan 8.310 nan 0.000 0.533 208 F N 0.524 120.466 119.950 -0.013 0.000 2.654 208 F HA 0.394 4.921 4.527 0.000 0.000 0.303 208 F C 1.582 177.425 175.800 0.071 0.000 1.099 208 F CA -0.152 57.859 58.000 0.018 0.000 1.270 208 F CB 0.234 39.237 39.000 0.005 0.000 1.024 208 F HN 0.199 nan 8.300 nan 0.000 0.548 209 G N 0.359 109.267 108.800 0.180 0.000 2.141 209 G HA2 -0.170 3.790 3.960 0.000 0.000 0.242 209 G HA3 -0.170 3.790 3.960 0.000 0.000 0.242 209 G C 0.595 175.581 174.900 0.143 0.000 0.982 209 G CA -0.218 44.969 45.100 0.145 0.000 0.662 209 G HN 0.745 nan 8.290 nan 0.000 0.527 210 G N -0.583 108.316 108.800 0.166 0.000 2.477 210 G HA2 0.505 4.465 3.960 0.000 0.000 0.304 210 G HA3 0.505 4.465 3.960 0.000 0.000 0.304 210 G C -0.312 174.648 174.900 0.100 0.000 1.175 210 G CA -0.058 45.126 45.100 0.140 0.000 0.907 210 G HN 0.571 nan 8.290 nan 0.000 0.509 211 N N 0.779 119.533 118.700 0.089 0.000 2.558 211 N HA 0.324 5.064 4.740 0.000 0.000 0.242 211 N C -1.244 174.318 175.510 0.088 0.000 0.979 211 N CA -2.445 50.644 53.050 0.066 0.000 0.931 211 N CB 2.081 40.595 38.487 0.044 0.000 1.122 211 N HN 0.087 nan 8.380 nan 0.000 0.508 212 P HA -0.039 nan 4.420 nan 0.000 0.226 212 P C 0.828 178.239 177.300 0.184 0.000 1.146 212 P CA 0.755 63.920 63.100 0.108 0.000 0.773 212 P CB 0.150 31.886 31.700 0.061 0.000 0.772 213 G N -0.977 107.891 108.800 0.113 0.000 3.042 213 G HA2 0.009 3.969 3.960 0.000 0.000 0.212 213 G HA3 0.009 3.969 3.960 0.000 0.000 0.212 213 G C 0.637 175.430 174.900 -0.178 0.000 1.166 213 G CA 0.129 45.240 45.100 0.018 0.000 0.767 213 G HN 0.345 nan 8.290 nan 0.000 0.546 214 S N 0.382 116.145 115.700 0.105 0.000 2.300 214 S HA 0.448 4.918 4.470 0.000 0.000 0.172 214 S C -0.639 174.110 174.600 0.249 0.000 1.484 214 S CA -0.403 57.877 58.200 0.133 0.000 1.265 214 S CB 0.161 63.365 63.200 0.007 0.000 1.313 214 S HN -0.052 nan 8.310 nan 0.000 0.387 215 V N 2.669 122.837 119.914 0.424 0.000 2.407 215 V HA 0.524 4.644 4.120 0.000 0.000 0.278 215 V C 0.388 176.564 176.094 0.138 0.000 1.037 215 V CA -0.304 62.107 62.300 0.185 0.000 0.900 215 V CB 1.602 33.490 31.823 0.109 0.000 0.983 215 V HN 0.570 nan 8.190 nan 0.000 0.459 216 T N 6.227 120.844 114.554 0.106 0.000 2.807 216 T HA 0.614 4.965 4.350 0.000 0.000 0.279 216 T C -0.231 174.552 174.700 0.137 0.000 0.993 216 T CA -0.215 61.935 62.100 0.085 0.000 0.970 216 T CB 0.981 69.840 68.868 -0.015 0.000 0.950 216 T HN 0.617 nan 8.240 nan 0.000 0.441 217 I N 1.875 122.519 120.570 0.123 0.000 2.336 217 I HA 0.830 5.000 4.170 0.000 0.000 0.292 217 I C -1.007 175.273 176.117 0.272 0.000 0.991 217 I CA -1.015 60.357 61.300 0.120 0.000 1.227 217 I CB 0.809 38.672 38.000 -0.228 0.000 1.366 217 I HN 0.452 nan 8.210 nan 0.000 0.466 218 F N 3.572 123.545 119.950 0.039 0.000 2.581 218 F HA 0.996 5.523 4.527 0.000 0.000 0.311 218 F C -0.402 175.323 175.800 -0.125 0.000 1.113 218 F CA -1.593 56.459 58.000 0.086 0.000 0.935 218 F CB 1.250 40.427 39.000 0.295 0.000 1.232 218 F HN 0.751 nan 8.300 nan 0.000 0.445 219 G N 1.370 109.942 108.800 -0.380 0.000 2.708 219 G HA2 0.536 4.496 3.960 0.000 0.000 0.289 219 G HA3 0.536 4.496 3.960 0.000 0.000 0.289 219 G C -2.324 172.233 174.900 -0.570 0.000 1.416 219 G CA -0.809 43.639 45.100 -1.087 0.000 0.829 219 G HN 0.835 nan 8.290 nan 0.000 0.480 220 E N 0.094 119.947 120.200 -0.578 0.000 2.238 220 E HA 0.583 4.933 4.350 0.000 0.000 0.267 220 E C 0.544 177.133 176.600 -0.018 0.000 0.887 220 E CA 0.171 56.511 56.400 -0.100 0.000 0.769 220 E CB 2.123 31.878 29.700 0.092 0.000 1.187 220 E HN 0.728 nan 8.360 nan 0.000 0.416 221 S N 2.785 118.548 115.700 0.105 0.000 4.114 221 S HA -0.395 4.075 4.470 0.000 0.000 0.618 221 S C 1.474 176.159 174.600 0.140 0.000 1.937 221 S CA 2.060 60.420 58.200 0.266 0.000 4.228 221 S CB -1.614 61.836 63.200 0.417 0.000 0.216 221 S HN 0.962 nan 8.310 nan 0.000 0.528 222 A N 0.942 123.843 122.820 0.134 0.000 1.978 222 A HA 0.116 4.436 4.320 0.000 0.000 0.220 222 A C 2.450 180.000 177.584 -0.056 0.000 1.170 222 A CA 2.525 54.587 52.037 0.042 0.000 0.636 222 A CB -1.525 17.518 19.000 0.072 0.000 0.810 222 A HN 1.606 nan 8.150 nan 0.000 0.448 223 G N -0.890 107.837 108.800 -0.122 0.000 2.421 223 G HA2 0.116 4.076 3.960 0.000 0.000 0.217 223 G HA3 0.116 4.076 3.960 0.000 0.000 0.217 223 G C 1.434 176.174 174.900 -0.266 0.000 1.143 223 G CA 1.124 46.037 45.100 -0.311 0.000 0.784 223 G HN 0.664 nan 8.290 nan 0.000 0.541 224 G N 0.390 109.101 108.800 -0.149 0.000 2.402 224 G HA2 -0.149 3.811 3.960 0.000 0.000 0.216 224 G HA3 -0.149 3.811 3.960 0.000 0.000 0.216 224 G C 1.552 176.418 174.900 -0.056 0.000 1.162 224 G CA 1.065 46.122 45.100 -0.071 0.000 0.777 224 G HN 0.402 nan 8.290 nan 0.000 0.539 225 E N 1.042 121.214 120.200 -0.047 0.000 2.077 225 E HA -0.113 4.237 4.350 0.000 0.000 0.193 225 E C 2.618 179.154 176.600 -0.107 0.000 0.989 225 E CA 1.251 57.615 56.400 -0.060 0.000 0.800 225 E CB -0.280 29.390 29.700 -0.051 0.000 0.746 225 E HN 0.332 nan 8.360 nan 0.000 0.452 226 S N 0.242 115.871 115.700 -0.119 0.000 2.359 226 S HA -0.140 4.330 4.470 0.000 0.000 0.224 226 S C 2.158 176.612 174.600 -0.243 0.000 1.035 226 S CA 1.309 59.415 58.200 -0.157 0.000 1.018 226 S CB -0.326 62.748 63.200 -0.210 0.000 0.876 226 S HN 0.153 nan 8.310 nan 0.000 0.448 227 V N 1.273 121.044 119.914 -0.238 0.000 2.392 227 V HA -0.158 3.962 4.120 0.000 0.000 0.249 227 V C 2.548 178.484 176.094 -0.262 0.000 1.059 227 V CA 1.904 64.035 62.300 -0.282 0.000 1.051 227 V CB -0.791 30.919 31.823 -0.189 0.000 0.658 227 V HN 0.526 nan 8.190 nan 0.000 0.455 228 S N -0.517 115.097 115.700 -0.143 0.000 2.368 228 S HA -0.152 4.319 4.470 0.000 0.000 0.225 228 S C 1.963 176.466 174.600 -0.162 0.000 1.030 228 S CA 1.751 59.901 58.200 -0.084 0.000 0.999 228 S CB -0.112 63.080 63.200 -0.014 0.000 0.844 228 S HN 0.355 nan 8.310 nan 0.000 0.459 229 V N 2.131 121.913 119.914 -0.220 0.000 2.307 229 V HA -0.115 4.005 4.120 0.000 0.000 0.245 229 V C 2.365 178.311 176.094 -0.247 0.000 1.045 229 V CA 1.698 63.831 62.300 -0.279 0.000 1.024 229 V CB -0.695 30.841 31.823 -0.479 0.000 0.651 229 V HN 0.462 nan 8.190 nan 0.000 0.449 230 L N -0.312 120.752 121.223 -0.266 0.000 2.083 230 L HA -0.143 4.197 4.340 0.000 0.000 0.209 230 L C 2.408 179.274 176.870 -0.006 0.000 1.083 230 L CA 1.019 55.740 54.840 -0.198 0.000 0.752 230 L CB -0.632 41.192 42.059 -0.391 0.000 0.899 230 L HN 0.200 nan 8.230 nan 0.000 0.433 231 V N -0.005 119.860 119.914 -0.082 0.000 2.867 231 V HA -0.229 3.891 4.120 0.000 0.000 0.260 231 V C 2.077 178.256 176.094 0.143 0.000 1.099 231 V CA 1.347 63.716 62.300 0.116 0.000 1.122 231 V CB -0.207 31.451 31.823 -0.276 0.000 0.708 231 V HN 0.394 nan 8.190 nan 0.000 0.490 232 L N -1.366 119.827 121.223 -0.049 0.000 2.515 232 L HA 0.192 4.532 4.340 0.000 0.000 0.223 232 L C 1.283 177.886 176.870 -0.445 0.000 1.079 232 L CA 0.200 54.872 54.840 -0.281 0.000 0.857 232 L CB 0.191 42.100 42.059 -0.249 0.000 1.050 232 L HN 0.204 nan 8.230 nan 0.000 0.476 233 S N 0.336 115.959 115.700 -0.128 0.000 2.499 233 S HA 0.191 4.661 4.470 0.000 0.000 0.275 233 S C -1.614 173.135 174.600 0.248 0.000 1.257 233 S CA -1.329 56.844 58.200 -0.045 0.000 1.050 233 S CB 1.126 64.310 63.200 -0.027 0.000 0.937 233 S HN -0.095 nan 8.310 nan 0.000 0.490 234 P HA -0.011 nan 4.420 nan 0.000 0.225 234 P C 0.942 178.381 177.300 0.233 0.000 1.148 234 P CA 0.825 64.178 63.100 0.422 0.000 0.779 234 P CB 0.101 31.962 31.700 0.268 0.000 0.780 235 L N -1.838 119.480 121.223 0.158 0.000 2.395 235 L HA 0.002 4.342 4.340 0.000 0.000 0.218 235 L C 2.122 179.072 176.870 0.134 0.000 1.130 235 L CA 0.968 55.879 54.840 0.117 0.000 0.826 235 L CB -0.608 41.501 42.059 0.083 0.000 0.941 235 L HN -0.015 nan 8.230 nan 0.000 0.451 236 A N -0.674 122.260 122.820 0.190 0.000 2.115 236 A HA -0.018 4.302 4.320 0.000 0.000 0.211 236 A C 1.149 178.844 177.584 0.183 0.000 1.169 236 A CA -0.215 51.967 52.037 0.242 0.000 0.787 236 A CB -0.012 19.211 19.000 0.371 0.000 0.858 236 A HN 0.181 nan 8.150 nan 0.000 0.474 237 K N 1.462 121.938 120.400 0.128 0.000 2.472 237 K HA -0.173 4.147 4.320 0.000 0.000 0.269 237 K C -0.355 176.218 176.600 -0.044 0.000 1.056 237 K CA 1.056 57.323 56.287 -0.032 0.000 1.158 237 K CB -0.179 32.283 32.500 -0.063 0.000 0.821 237 K HN 0.490 nan 8.250 nan 0.000 0.486 238 N N 2.095 120.725 118.700 -0.118 0.000 2.948 238 N HA -0.213 4.527 4.740 0.000 0.000 0.239 238 N C 0.351 175.790 175.510 -0.118 0.000 0.954 238 N CA 1.151 54.153 53.050 -0.079 0.000 0.941 238 N CB -0.999 37.479 38.487 -0.015 0.000 1.101 238 N HN 0.592 nan 8.380 nan 0.000 0.579 239 L N -0.625 120.531 121.223 -0.111 0.000 2.513 239 L HA 0.215 4.555 4.340 0.000 0.000 0.222 239 L C 0.481 177.357 176.870 0.010 0.000 1.096 239 L CA 0.475 55.329 54.840 0.024 0.000 0.857 239 L CB -0.008 42.153 42.059 0.170 0.000 1.026 239 L HN 0.149 nan 8.230 nan 0.000 0.469 240 F N -4.381 115.346 119.950 -0.372 0.000 2.664 240 F HA 0.492 5.019 4.527 0.000 0.000 0.317 240 F C 0.561 175.952 175.800 -0.681 0.000 1.108 240 F CA -1.018 56.694 58.000 -0.479 0.000 0.957 240 F CB 0.736 39.602 39.000 -0.223 0.000 1.365 240 F HN -0.157 nan 8.300 nan 0.000 0.475 241 H N -0.584 118.484 119.070 -0.003 0.000 3.440 241 H HA 0.448 5.004 4.556 0.000 0.000 0.259 241 H C -0.435 174.828 175.328 -0.107 0.000 1.120 241 H CA -0.028 55.937 56.048 -0.139 0.000 1.191 241 H CB 0.797 30.501 29.762 -0.096 0.000 1.537 241 H HN 0.525 nan 8.280 nan 0.000 0.547 242 R N 0.144 120.701 120.500 0.094 0.000 2.680 242 R HA 0.726 5.066 4.340 0.000 0.000 0.269 242 R C -1.370 175.051 176.300 0.201 0.000 1.026 242 R CA -0.698 55.403 56.100 0.002 0.000 0.889 242 R CB 2.565 32.627 30.300 -0.398 0.000 1.241 242 R HN 0.104 nan 8.270 nan 0.000 0.463 243 A N 2.290 125.292 122.820 0.302 0.000 2.486 243 A HA 0.783 5.103 4.320 0.000 0.000 0.300 243 A C -1.130 176.708 177.584 0.424 0.000 1.048 243 A CA -0.689 51.487 52.037 0.232 0.000 0.696 243 A CB 1.258 20.189 19.000 -0.116 0.000 1.278 243 A HN 0.606 nan 8.150 nan 0.000 0.405 244 I N 1.304 122.052 120.570 0.297 0.000 2.447 244 I HA 0.346 4.516 4.170 0.000 0.000 0.287 244 I C -0.193 176.052 176.117 0.212 0.000 1.023 244 I CA -0.340 61.080 61.300 0.199 0.000 1.083 244 I CB 2.305 40.349 38.000 0.073 0.000 1.245 244 I HN 0.485 nan 8.210 nan 0.000 0.434 245 S N 5.202 120.996 115.700 0.157 0.000 2.498 245 S HA 0.320 4.790 4.470 0.000 0.000 0.324 245 S C -0.437 174.206 174.600 0.071 0.000 1.071 245 S CA -0.596 57.663 58.200 0.100 0.000 1.113 245 S CB 0.687 63.939 63.200 0.087 0.000 0.976 245 S HN 0.476 nan 8.310 nan 0.000 0.462 246 E N 1.989 122.273 120.200 0.140 0.000 2.081 246 E HA 0.298 4.648 4.350 0.000 0.000 0.281 246 E C -0.373 176.302 176.600 0.126 0.000 0.986 246 E CA -0.461 56.063 56.400 0.207 0.000 0.796 246 E CB 0.862 30.767 29.700 0.341 0.000 1.085 246 E HN 0.630 nan 8.360 nan 0.000 0.398 247 S N 2.083 117.842 115.700 0.099 0.000 3.572 247 S HA -0.137 4.333 4.470 0.000 0.000 0.394 247 S C 0.044 174.836 174.600 0.320 0.000 0.923 247 S CA 0.508 58.799 58.200 0.151 0.000 1.291 247 S CB -1.091 62.126 63.200 0.029 0.000 0.914 247 S HN 0.937 nan 8.310 nan 0.000 0.545 248 G N -0.815 108.128 108.800 0.239 0.000 2.169 248 G HA2 0.507 4.467 3.960 0.000 0.000 0.286 248 G HA3 0.507 4.467 3.960 0.000 0.000 0.286 248 G C -0.754 174.179 174.900 0.056 0.000 1.742 248 G CA 0.083 45.295 45.100 0.187 0.000 0.904 248 G HN 1.491 nan 8.290 nan 0.000 0.735 249 V N -0.630 119.287 119.914 0.005 0.000 3.105 249 V HA 0.968 5.088 4.120 0.000 0.000 0.311 249 V C 1.202 177.261 176.094 -0.058 0.000 1.287 249 V CA 0.064 62.350 62.300 -0.023 0.000 1.066 249 V CB 1.147 32.949 31.823 -0.037 0.000 1.105 249 V HN 1.936 nan 8.190 nan 0.000 0.462 250 A N -0.787 121.996 122.820 -0.062 0.000 2.021 250 A HA 0.285 4.605 4.320 0.000 0.000 0.216 250 A C 1.740 179.265 177.584 -0.099 0.000 1.163 250 A CA 1.037 53.019 52.037 -0.091 0.000 0.676 250 A CB -0.645 18.296 19.000 -0.098 0.000 0.818 250 A HN 0.824 nan 8.150 nan 0.000 0.453 251 L N 0.446 121.618 121.223 -0.085 0.000 2.549 251 L HA -0.055 4.285 4.340 0.000 0.000 0.229 251 L C 0.507 177.303 176.870 -0.124 0.000 1.158 251 L CA 0.500 55.285 54.840 -0.090 0.000 0.842 251 L CB -0.598 41.422 42.059 -0.066 0.000 0.952 251 L HN 0.172 nan 8.230 nan 0.000 0.452 252 T N 0.023 114.492 114.554 -0.143 0.000 3.859 252 T HA 0.006 4.356 4.350 0.000 0.000 0.251 252 T C 1.496 176.078 174.700 -0.197 0.000 1.079 252 T CA -0.012 61.969 62.100 -0.197 0.000 1.151 252 T CB 0.219 68.958 68.868 -0.215 0.000 1.173 252 T HN 0.219 nan 8.240 nan 0.000 0.885 253 S N 1.706 117.289 115.700 -0.195 0.000 2.409 253 S HA -0.190 4.280 4.470 0.000 0.000 0.237 253 S C 2.341 176.818 174.600 -0.205 0.000 1.060 253 S CA 1.321 59.404 58.200 -0.196 0.000 1.052 253 S CB -0.485 62.584 63.200 -0.218 0.000 0.871 253 S HN 0.646 nan 8.310 nan 0.000 0.465 254 V N 1.564 121.342 119.914 -0.227 0.000 2.317 254 V HA -0.190 3.931 4.120 0.000 0.000 0.251 254 V C 1.689 177.667 176.094 -0.193 0.000 1.065 254 V CA 1.937 64.107 62.300 -0.216 0.000 1.049 254 V CB -0.345 31.343 31.823 -0.226 0.000 0.651 254 V HN 0.573 nan 8.190 nan 0.000 0.450 255 L N -0.427 120.685 121.223 -0.185 0.000 2.509 255 L HA 0.162 4.502 4.340 0.000 0.000 0.222 255 L C 0.414 177.174 176.870 -0.182 0.000 1.123 255 L CA -0.019 54.709 54.840 -0.187 0.000 0.856 255 L CB 0.409 42.370 42.059 -0.163 0.000 0.985 255 L HN 0.158 nan 8.230 nan 0.000 0.456 256 V N 1.326 121.142 119.914 -0.164 0.000 2.334 256 V HA 0.205 4.325 4.120 0.000 0.000 0.281 256 V C 0.037 176.045 176.094 -0.142 0.000 1.016 256 V CA -0.808 61.406 62.300 -0.143 0.000 0.832 256 V CB 1.377 33.121 31.823 -0.132 0.000 0.999 256 V HN 0.041 nan 8.190 nan 0.000 0.439 257 K N 5.363 125.682 120.400 -0.134 0.000 2.150 257 K HA 0.321 4.641 4.320 0.000 0.000 0.261 257 K C 0.114 176.648 176.600 -0.110 0.000 1.127 257 K CA -0.055 56.156 56.287 -0.126 0.000 0.989 257 K CB 0.372 32.795 32.500 -0.128 0.000 1.475 257 K HN 0.590 nan 8.250 nan 0.000 0.391 258 K N 0.234 120.570 120.400 -0.107 0.000 2.090 258 K HA 0.528 4.848 4.320 0.000 0.000 0.250 258 K C 0.594 177.144 176.600 -0.082 0.000 1.004 258 K CA -0.298 55.933 56.287 -0.093 0.000 0.919 258 K CB 0.786 33.230 32.500 -0.094 0.000 1.045 258 K HN 0.642 nan 8.250 nan 0.000 0.471 259 G N 1.135 109.893 108.800 -0.070 0.000 2.728 259 G HA2 -0.231 3.730 3.960 0.000 0.000 0.294 259 G HA3 -0.231 3.730 3.960 0.000 0.000 0.294 259 G C -1.184 173.680 174.900 -0.061 0.000 1.342 259 G CA -0.531 44.534 45.100 -0.059 0.000 0.866 259 G HN 0.745 nan 8.290 nan 0.000 0.534 260 D N -0.197 120.172 120.400 -0.052 0.000 2.363 260 D HA 0.330 4.970 4.640 0.000 0.000 0.263 260 D C 1.805 178.067 176.300 -0.064 0.000 1.258 260 D CA 0.663 54.632 54.000 -0.053 0.000 0.907 260 D CB 1.110 41.887 40.800 -0.039 0.000 1.107 260 D HN 1.313 nan 8.370 nan 0.000 0.495 261 V N 2.185 122.050 119.914 -0.083 0.000 3.235 261 V HA 0.041 4.162 4.120 0.000 0.000 0.259 261 V C 2.118 178.144 176.094 -0.112 0.000 1.133 261 V CA 0.634 62.870 62.300 -0.107 0.000 1.128 261 V CB -0.467 31.271 31.823 -0.141 0.000 0.757 261 V HN 0.330 nan 8.190 nan 0.000 0.469 262 K N 2.109 122.455 120.400 -0.090 0.000 2.059 262 K HA -0.118 4.202 4.320 0.000 0.000 0.212 262 K C -0.082 176.486 176.600 -0.053 0.000 1.050 262 K CA 2.658 58.900 56.287 -0.075 0.000 0.927 262 K CB -1.739 30.735 32.500 -0.042 0.000 0.714 262 K HN 0.457 nan 8.250 nan 0.000 0.447 263 P HA -0.181 nan 4.420 nan 0.000 0.215 263 P C 1.327 178.621 177.300 -0.010 0.000 1.157 263 P CA 0.938 64.028 63.100 -0.017 0.000 0.868 263 P CB -0.054 31.638 31.700 -0.014 0.000 0.788 264 L N -0.572 120.634 121.223 -0.029 0.000 2.131 264 L HA -0.121 4.219 4.340 0.000 0.000 0.210 264 L C 1.940 178.812 176.870 0.005 0.000 1.092 264 L CA 2.262 57.096 54.840 -0.010 0.000 0.759 264 L CB -1.450 40.582 42.059 -0.045 0.000 0.903 264 L HN -0.065 nan 8.230 nan 0.000 0.435 265 A N 0.126 122.906 122.820 -0.068 0.000 1.877 265 A HA -0.227 4.093 4.320 0.000 0.000 0.216 265 A C 2.041 179.695 177.584 0.117 0.000 1.186 265 A CA 1.649 53.645 52.037 -0.068 0.000 0.620 265 A CB -0.527 18.305 19.000 -0.280 0.000 0.822 265 A HN 0.601 nan 8.150 nan 0.000 0.443 266 E N -0.752 119.484 120.200 0.061 0.000 2.110 266 E HA -0.260 4.090 4.350 0.000 0.000 0.193 266 E C 2.251 178.896 176.600 0.074 0.000 0.988 266 E CA 1.247 57.689 56.400 0.071 0.000 0.804 266 E CB -0.194 29.529 29.700 0.039 0.000 0.745 266 E HN 0.783 nan 8.360 nan 0.000 0.458 267 Q N 0.751 120.593 119.800 0.070 0.000 2.061 267 Q HA -0.200 4.140 4.340 0.000 0.000 0.204 267 Q C 2.244 178.298 176.000 0.090 0.000 0.984 267 Q CA 1.398 57.244 55.803 0.071 0.000 0.846 267 Q CB -0.054 28.729 28.738 0.076 0.000 0.902 267 Q HN 0.316 nan 8.270 nan 0.000 0.421 268 I N 0.385 121.040 120.570 0.141 0.000 2.226 268 I HA -0.282 3.888 4.170 0.000 0.000 0.245 268 I C 2.481 178.649 176.117 0.084 0.000 1.100 268 I CA 0.924 62.316 61.300 0.153 0.000 1.374 268 I CB -0.609 37.556 38.000 0.274 0.000 1.057 268 I HN 0.255 nan 8.210 nan 0.000 0.413 269 A N 1.529 124.410 122.820 0.101 0.000 1.865 269 A HA -0.206 4.114 4.320 0.000 0.000 0.217 269 A C 2.314 179.908 177.584 0.015 0.000 1.191 269 A CA 1.759 53.817 52.037 0.036 0.000 0.623 269 A CB -0.935 18.104 19.000 0.064 0.000 0.826 269 A HN 0.394 nan 8.150 nan 0.000 0.444 270 I N -0.531 120.056 120.570 0.028 0.000 2.226 270 I HA -0.235 3.935 4.170 0.000 0.000 0.245 270 I C 2.539 178.658 176.117 0.004 0.000 1.100 270 I CA 1.776 63.085 61.300 0.015 0.000 1.374 270 I CB -0.773 37.238 38.000 0.019 0.000 1.057 270 I HN 0.258 nan 8.210 nan 0.000 0.413 271 T N 0.730 115.288 114.554 0.007 0.000 2.788 271 T HA -0.134 4.216 4.350 0.000 0.000 0.268 271 T C 1.855 176.543 174.700 -0.020 0.000 1.044 271 T CA 1.476 63.571 62.100 -0.009 0.000 1.139 271 T CB -0.218 68.642 68.868 -0.013 0.000 0.867 271 T HN 0.500 nan 8.240 nan 0.000 0.454 272 A N 0.289 123.095 122.820 -0.023 0.000 2.169 272 A HA 0.508 4.828 4.320 0.000 0.000 0.212 272 A C 1.621 179.186 177.584 -0.032 0.000 1.153 272 A CA 0.716 52.730 52.037 -0.038 0.000 0.756 272 A CB -0.506 18.457 19.000 -0.062 0.000 0.813 272 A HN 0.798 nan 8.150 nan 0.000 0.471 273 G N -1.527 107.261 108.800 -0.021 0.000 2.414 273 G HA2 -0.142 3.818 3.960 0.000 0.000 0.256 273 G HA3 -0.142 3.818 3.960 0.000 0.000 0.256 273 G C -0.245 174.645 174.900 -0.017 0.000 1.128 273 G CA -0.176 44.914 45.100 -0.017 0.000 0.944 273 G HN 0.670 nan 8.290 nan 0.000 0.500 274 c N -0.234 118.358 118.600 -0.013 0.000 2.634 274 c HA 0.710 5.280 4.570 0.000 0.000 0.313 274 c C 0.688 174.780 174.090 0.004 0.000 1.198 274 c CA -1.245 55.078 56.329 -0.010 0.000 1.605 274 c CB 1.783 44.279 42.510 -0.022 0.000 2.196 274 c HN 0.661 nan 8.230 nan 0.000 0.486 275 K N 0.712 121.117 120.400 0.008 0.000 2.276 275 K HA 0.337 4.657 4.320 0.000 0.000 0.259 275 K C 0.889 177.501 176.600 0.019 0.000 1.001 275 K CA 0.254 56.549 56.287 0.013 0.000 0.927 275 K CB 0.321 32.828 32.500 0.013 0.000 0.969 275 K HN 0.863 nan 8.250 nan 0.000 0.490 276 T N -2.711 111.855 114.554 0.020 0.000 3.266 276 T HA 0.070 4.420 4.350 0.000 0.000 0.278 276 T C 0.953 175.665 174.700 0.020 0.000 1.010 276 T CA -0.461 61.655 62.100 0.027 0.000 0.909 276 T CB -0.080 68.805 68.868 0.029 0.000 1.122 276 T HN 0.430 nan 8.240 nan 0.000 0.536 277 T N 2.893 117.455 114.554 0.014 0.000 2.624 277 T HA -0.080 4.270 4.350 0.000 0.000 0.268 277 T C 1.166 175.870 174.700 0.007 0.000 1.041 277 T CA 2.116 64.221 62.100 0.008 0.000 1.159 277 T CB -0.515 68.354 68.868 0.003 0.000 0.863 277 T HN 0.862 nan 8.240 nan 0.000 0.434 278 T N -2.365 112.191 114.554 0.002 0.000 2.843 278 T HA 0.533 4.883 4.350 0.000 0.000 0.302 278 T C 0.931 175.631 174.700 -0.001 0.000 1.232 278 T CA -0.392 61.706 62.100 -0.003 0.000 1.009 278 T CB 1.855 70.705 68.868 -0.030 0.000 1.254 278 T HN -0.127 nan 8.240 nan 0.000 0.504 279 S N 0.863 116.575 115.700 0.020 0.000 2.359 279 S HA -0.117 4.353 4.470 0.000 0.000 0.222 279 S C 2.559 177.147 174.600 -0.020 0.000 1.038 279 S CA 1.692 59.926 58.200 0.057 0.000 1.051 279 S CB -1.117 62.185 63.200 0.171 0.000 0.944 279 S HN 1.039 nan 8.310 nan 0.000 0.433 280 A N 0.783 123.443 122.820 -0.267 0.000 2.042 280 A HA -0.119 4.201 4.320 0.000 0.000 0.222 280 A C 2.274 179.798 177.584 -0.101 0.000 1.167 280 A CA 1.762 53.578 52.037 -0.367 0.000 0.649 280 A CB -0.839 17.761 19.000 -0.666 0.000 0.809 280 A HN 0.377 nan 8.150 nan 0.000 0.457 281 V N -0.508 119.372 119.914 -0.056 0.000 2.488 281 V HA -0.237 3.884 4.120 0.000 0.000 0.246 281 V C 2.568 178.694 176.094 0.053 0.000 1.046 281 V CA 1.847 64.156 62.300 0.015 0.000 1.053 281 V CB -0.603 31.222 31.823 0.002 0.000 0.679 281 V HN 0.573 nan 8.190 nan 0.000 0.458 282 M N -0.388 119.238 119.600 0.043 0.000 2.067 282 M HA -0.161 4.319 4.480 0.000 0.000 0.260 282 M C 2.281 178.584 176.300 0.005 0.000 1.069 282 M CA 1.765 57.091 55.300 0.045 0.000 1.117 282 M CB -0.621 32.047 32.600 0.113 0.000 1.334 282 M HN 0.246 nan 8.290 nan 0.000 0.407 283 V N -0.314 119.630 119.914 0.050 0.000 2.287 283 V HA -0.320 3.800 4.120 0.000 0.000 0.248 283 V C 2.311 178.445 176.094 0.065 0.000 1.053 283 V CA 2.521 64.836 62.300 0.025 0.000 1.027 283 V CB -1.223 30.682 31.823 0.136 0.000 0.646 283 V HN 0.492 nan 8.190 nan 0.000 0.447 284 H N -0.698 118.371 119.070 -0.002 0.000 2.353 284 H HA -0.236 4.320 4.556 0.000 0.000 0.298 284 H C 2.341 177.662 175.328 -0.011 0.000 1.103 284 H CA 2.274 58.321 56.048 -0.003 0.000 1.293 284 H CB -0.635 29.116 29.762 -0.018 0.000 1.372 284 H HN 0.478 nan 8.280 nan 0.000 0.501 285 c N -0.264 118.298 118.600 -0.064 0.000 2.446 285 c HA -0.023 4.547 4.570 0.000 0.000 0.277 285 c C 2.779 176.792 174.090 -0.129 0.000 1.275 285 c CA 0.765 57.022 56.329 -0.120 0.000 1.727 285 c CB -1.398 41.086 42.510 -0.045 0.000 2.010 285 c HN 0.646 nan 8.230 nan 0.000 0.486 286 L N 0.209 121.364 121.223 -0.114 0.000 2.201 286 L HA -0.055 4.285 4.340 0.000 0.000 0.212 286 L C 2.897 179.753 176.870 -0.023 0.000 1.105 286 L CA 1.138 55.918 54.840 -0.100 0.000 0.775 286 L CB -0.681 41.231 42.059 -0.246 0.000 0.913 286 L HN 0.337 nan 8.230 nan 0.000 0.440 287 R N -0.300 120.184 120.500 -0.027 0.000 2.189 287 R HA -0.100 4.241 4.340 0.000 0.000 0.218 287 R C 2.098 178.309 176.300 -0.148 0.000 1.074 287 R CA 0.648 56.692 56.100 -0.094 0.000 0.991 287 R CB -0.005 30.250 30.300 -0.074 0.000 0.883 287 R HN 0.449 nan 8.270 nan 0.000 0.457 288 Q N 0.606 120.299 119.800 -0.179 0.000 2.245 288 Q HA 0.028 4.368 4.340 0.000 0.000 0.201 288 Q C 0.420 176.357 176.000 -0.104 0.000 0.955 288 Q CA 0.819 56.523 55.803 -0.164 0.000 0.870 288 Q CB 0.108 28.728 28.738 -0.196 0.000 0.945 288 Q HN 0.058 nan 8.270 nan 0.000 0.461 289 K N 1.982 122.326 120.400 -0.094 0.000 2.276 289 K HA 0.106 4.426 4.320 0.000 0.000 0.259 289 K C 0.656 177.232 176.600 -0.040 0.000 1.001 289 K CA 0.105 56.354 56.287 -0.065 0.000 0.927 289 K CB 0.214 32.670 32.500 -0.072 0.000 0.969 289 K HN 0.201 nan 8.250 nan 0.000 0.490 290 T N -2.992 111.555 114.554 -0.011 0.000 2.902 290 T HA 0.105 4.455 4.350 0.000 0.000 0.280 290 T C 1.303 176.051 174.700 0.080 0.000 0.992 290 T CA -0.674 61.438 62.100 0.020 0.000 1.015 290 T CB 1.399 70.275 68.868 0.014 0.000 1.044 290 T HN 0.626 nan 8.240 nan 0.000 0.520 291 E N 0.274 120.548 120.200 0.124 0.000 2.065 291 E HA -0.305 4.045 4.350 0.000 0.000 0.201 291 E C 1.809 178.542 176.600 0.222 0.000 1.016 291 E CA 1.818 58.365 56.400 0.245 0.000 0.818 291 E CB -0.190 29.578 29.700 0.114 0.000 0.749 291 E HN 0.784 nan 8.360 nan 0.000 0.453 292 E N 0.756 121.022 120.200 0.110 0.000 2.130 292 E HA -0.219 4.131 4.350 0.000 0.000 0.196 292 E C 1.765 178.413 176.600 0.079 0.000 0.998 292 E CA 1.864 58.314 56.400 0.083 0.000 0.806 292 E CB -0.074 29.650 29.700 0.040 0.000 0.738 292 E HN 0.446 nan 8.360 nan 0.000 0.459 293 E N -0.296 119.938 120.200 0.058 0.000 2.072 293 E HA -0.117 4.233 4.350 0.000 0.000 0.191 293 E C 2.210 178.821 176.600 0.018 0.000 0.985 293 E CA 0.943 57.358 56.400 0.024 0.000 0.801 293 E CB -0.143 29.555 29.700 -0.002 0.000 0.750 293 E HN 0.309 nan 8.360 nan 0.000 0.452 294 L N 0.649 121.892 121.223 0.032 0.000 2.217 294 L HA -0.121 4.220 4.340 0.000 0.000 0.211 294 L C 2.445 179.351 176.870 0.060 0.000 1.107 294 L CA 0.214 55.012 54.840 -0.070 0.000 0.783 294 L CB -0.205 41.662 42.059 -0.320 0.000 0.919 294 L HN 0.188 nan 8.230 nan 0.000 0.442 295 L N 0.046 121.420 121.223 0.252 0.000 2.072 295 L HA -0.140 4.200 4.340 0.000 0.000 0.205 295 L C 2.394 179.334 176.870 0.117 0.000 1.079 295 L CA 1.690 56.701 54.840 0.284 0.000 0.752 295 L CB -0.494 41.710 42.059 0.243 0.000 0.906 295 L HN 0.194 nan 8.230 nan 0.000 0.436 296 E N -1.101 119.138 120.200 0.065 0.000 2.077 296 E HA -0.202 4.148 4.350 0.000 0.000 0.193 296 E C 1.923 178.514 176.600 -0.016 0.000 0.989 296 E CA 1.791 58.202 56.400 0.018 0.000 0.800 296 E CB -0.338 29.367 29.700 0.009 0.000 0.746 296 E HN 0.504 nan 8.360 nan 0.000 0.452 297 T N 0.767 115.307 114.554 -0.024 0.000 2.746 297 T HA -0.130 4.220 4.350 0.000 0.000 0.267 297 T C 2.042 176.678 174.700 -0.107 0.000 1.039 297 T CA 1.670 63.733 62.100 -0.063 0.000 1.142 297 T CB -0.427 68.405 68.868 -0.061 0.000 0.866 297 T HN 0.169 nan 8.240 nan 0.000 0.444 298 T N 2.239 116.764 114.554 -0.048 0.000 2.778 298 T HA -0.007 4.343 4.350 0.000 0.000 0.269 298 T C 1.832 176.441 174.700 -0.152 0.000 1.050 298 T CA 0.935 63.009 62.100 -0.044 0.000 1.137 298 T CB -0.332 68.640 68.868 0.173 0.000 0.860 298 T HN 0.293 nan 8.240 nan 0.000 0.468 299 L N -0.180 120.993 121.223 -0.083 0.000 2.249 299 L HA 0.095 4.435 4.340 0.000 0.000 0.207 299 L C 2.506 179.298 176.870 -0.130 0.000 1.090 299 L CA 0.870 55.659 54.840 -0.085 0.000 0.802 299 L CB -0.299 41.744 42.059 -0.025 0.000 0.947 299 L HN 0.159 nan 8.230 nan 0.000 0.453 300 K N -0.115 120.206 120.400 -0.133 0.000 2.097 300 K HA -0.111 4.209 4.320 0.000 0.000 0.206 300 K C 2.051 178.538 176.600 -0.188 0.000 1.049 300 K CA 1.138 57.352 56.287 -0.122 0.000 0.933 300 K CB -0.080 32.363 32.500 -0.094 0.000 0.717 300 K HN 0.168 nan 8.250 nan 0.000 0.442 301 M N 1.071 120.462 119.600 -0.349 0.000 2.358 301 M HA -0.084 4.396 4.480 0.000 0.000 0.264 301 M C 0.087 176.110 176.300 -0.462 0.000 1.064 301 M CA 1.138 56.098 55.300 -0.567 0.000 1.093 301 M CB -0.818 30.954 32.600 -1.379 0.000 1.401 301 M HN 0.067 nan 8.290 nan 0.000 0.440 302 K N -0.081 120.129 120.400 -0.317 0.000 3.490 302 K HA -0.210 4.110 4.320 0.000 0.000 0.273 302 K C 0.483 177.092 176.600 0.014 0.000 0.916 302 K CA 0.101 56.320 56.287 -0.114 0.000 0.718 302 K CB -2.181 30.289 32.500 -0.050 0.000 1.477 302 K HN 0.322 nan 8.250 nan 0.000 0.452 303 F N -0.082 119.890 119.950 0.036 0.000 2.234 303 F HA -0.174 4.353 4.527 0.000 0.000 0.299 303 F C 2.102 177.918 175.800 0.027 0.000 1.087 303 F CA 0.699 58.719 58.000 0.034 0.000 1.340 303 F CB -0.039 38.991 39.000 0.050 0.000 1.031 303 F HN 0.195 nan 8.300 nan 0.000 0.500 304 L N -1.396 119.958 121.223 0.218 0.000 2.341 304 L HA -0.010 4.330 4.340 0.000 0.000 0.214 304 L C 1.201 178.125 176.870 0.090 0.000 1.115 304 L CA 0.102 55.019 54.840 0.128 0.000 0.820 304 L CB -0.312 41.805 42.059 0.096 0.000 0.944 304 L HN -0.082 nan 8.230 nan 0.000 0.452 305 S N 0.090 115.840 115.700 0.084 0.000 2.585 305 S HA 0.428 4.899 4.470 0.000 0.000 0.277 305 S C -0.561 174.086 174.600 0.078 0.000 1.241 305 S CA -0.665 57.575 58.200 0.068 0.000 1.041 305 S CB 1.169 64.396 63.200 0.044 0.000 0.987 305 S HN 0.030 nan 8.310 nan 0.000 0.512 306 L N 3.777 125.051 121.223 0.084 0.000 2.276 306 L HA 0.474 4.814 4.340 0.000 0.000 0.286 306 L C -0.465 176.435 176.870 0.049 0.000 1.061 306 L CA -0.152 54.738 54.840 0.083 0.000 0.807 306 L CB 1.125 43.265 42.059 0.135 0.000 1.177 306 L HN 0.595 nan 8.230 nan 0.000 0.429 307 D N 4.036 124.456 120.400 0.034 0.000 2.336 307 D HA 0.117 4.757 4.640 0.000 0.000 0.249 307 D C 1.025 177.323 176.300 -0.004 0.000 1.213 307 D CA 0.172 54.180 54.000 0.013 0.000 0.870 307 D CB 0.691 41.498 40.800 0.011 0.000 1.076 307 D HN 0.620 nan 8.370 nan 0.000 0.483 308 L N 2.835 124.052 121.223 -0.010 0.000 1.976 308 L HA -0.131 4.210 4.340 0.000 0.000 0.209 308 L C 1.696 178.552 176.870 -0.022 0.000 1.071 308 L CA 1.056 55.882 54.840 -0.023 0.000 0.746 308 L CB -0.442 41.602 42.059 -0.026 0.000 0.890 308 L HN 0.587 nan 8.230 nan 0.000 0.432 309 Q N -0.256 119.536 119.800 -0.014 0.000 2.414 309 Q HA 0.436 4.776 4.340 0.000 0.000 0.206 309 Q C 0.372 176.361 176.000 -0.018 0.000 1.058 309 Q CA 0.034 55.830 55.803 -0.011 0.000 1.025 309 Q CB 0.762 29.498 28.738 -0.004 0.000 1.196 309 Q HN 0.270 nan 8.270 nan 0.000 0.586 310 G N 0.350 109.143 108.800 -0.012 0.000 2.660 310 G HA2 -0.211 3.750 3.960 0.000 0.000 0.215 310 G HA3 -0.211 3.750 3.960 0.000 0.000 0.215 310 G C -1.407 173.471 174.900 -0.036 0.000 1.345 310 G CA -0.160 44.929 45.100 -0.018 0.000 0.877 310 G HN 0.893 nan 8.290 nan 0.000 0.549 311 D N 0.525 120.897 120.400 -0.047 0.000 2.225 311 D HA 0.472 5.112 4.640 0.000 0.000 0.248 311 D C -0.944 175.249 176.300 -0.178 0.000 1.096 311 D CA -1.664 52.286 54.000 -0.083 0.000 0.863 311 D CB 1.694 42.468 40.800 -0.044 0.000 1.156 311 D HN -0.018 nan 8.370 nan 0.000 0.450 312 P HA -0.115 nan 4.420 nan 0.000 0.216 312 P C 1.026 178.149 177.300 -0.294 0.000 1.153 312 P CA 1.348 64.130 63.100 -0.531 0.000 0.858 312 P CB 0.306 31.163 31.700 -1.406 0.000 0.789 313 R N -0.857 119.435 120.500 -0.347 0.000 2.193 313 R HA -0.013 4.328 4.340 0.000 0.000 0.213 313 R C 2.191 178.476 176.300 -0.026 0.000 1.055 313 R CA 0.831 56.853 56.100 -0.130 0.000 0.995 313 R CB -0.242 29.955 30.300 -0.173 0.000 0.893 313 R HN 0.342 nan 8.270 nan 0.000 0.459 314 E N 0.451 120.620 120.200 -0.050 0.000 2.042 314 E HA -0.024 4.326 4.350 0.000 0.000 0.189 314 E C 0.394 176.991 176.600 -0.005 0.000 0.974 314 E CA 0.148 56.538 56.400 -0.017 0.000 0.806 314 E CB 0.015 29.704 29.700 -0.018 0.000 0.769 314 E HN -0.002 nan 8.360 nan 0.000 0.451 315 S N 2.822 118.511 115.700 -0.018 0.000 3.959 315 S HA -0.169 4.301 4.470 0.000 0.000 0.473 315 S C 0.135 174.750 174.600 0.025 0.000 1.041 315 S CA -0.044 58.155 58.200 -0.000 0.000 1.364 315 S CB -0.655 62.536 63.200 -0.015 0.000 0.851 315 S HN 0.210 nan 8.310 nan 0.000 0.543 316 Q N 4.884 124.711 119.800 0.045 0.000 2.757 316 Q HA -0.028 4.312 4.340 0.000 0.000 0.366 316 Q C -2.003 174.046 176.000 0.081 0.000 1.083 316 Q CA -0.350 55.499 55.803 0.077 0.000 1.146 316 Q CB -0.086 28.728 28.738 0.126 0.000 1.060 316 Q HN 0.378 nan 8.270 nan 0.000 0.416 317 P HA 0.080 nan 4.420 nan 0.000 0.200 317 P C -0.641 176.622 177.300 -0.061 0.000 1.048 317 P CA 0.364 63.450 63.100 -0.024 0.000 0.734 317 P CB 0.240 31.899 31.700 -0.067 0.000 0.648 318 L N -4.531 116.564 121.223 -0.214 0.000 2.866 318 L HA 0.408 4.748 4.340 0.000 0.000 0.298 318 L C -1.497 175.082 176.870 -0.485 0.000 0.848 318 L CA -1.133 53.357 54.840 -0.584 0.000 1.088 318 L CB -0.532 41.225 42.059 -0.504 0.000 1.661 318 L HN 0.009 nan 8.230 nan 0.000 0.343 319 L N -2.075 118.838 121.223 -0.518 0.000 2.455 319 L HA 1.069 5.409 4.340 0.000 0.000 0.264 319 L C -0.424 176.296 176.870 -0.250 0.000 0.968 319 L CA 0.031 54.703 54.840 -0.281 0.000 0.827 319 L CB 1.670 43.625 42.059 -0.173 0.000 1.317 319 L HN 0.961 nan 8.230 nan 0.000 0.407 320 G N 1.067 109.732 108.800 -0.225 0.000 2.694 320 G HA2 0.408 4.368 3.960 0.000 0.000 0.246 320 G HA3 0.408 4.368 3.960 0.000 0.000 0.246 320 G C -0.926 173.842 174.900 -0.221 0.000 1.205 320 G CA -0.356 44.478 45.100 -0.442 0.000 0.891 320 G HN 0.592 nan 8.290 nan 0.000 0.515 321 T N 0.723 115.156 114.554 -0.202 0.000 2.946 321 T HA 0.427 4.777 4.350 0.000 0.000 0.311 321 T C 0.532 175.217 174.700 -0.025 0.000 1.063 321 T CA 0.720 62.847 62.100 0.044 0.000 1.139 321 T CB 0.815 69.710 68.868 0.046 0.000 0.994 321 T HN 1.405 nan 8.240 nan 0.000 0.547 322 V N -0.097 119.809 119.914 -0.013 0.000 3.158 322 V HA 0.625 4.745 4.120 0.000 0.000 0.311 322 V C -0.686 175.359 176.094 -0.082 0.000 1.181 322 V CA -1.316 60.941 62.300 -0.070 0.000 1.054 322 V CB 1.957 33.725 31.823 -0.092 0.000 1.085 322 V HN 0.626 nan 8.190 nan 0.000 0.446 323 I N 3.175 123.690 120.570 -0.091 0.000 2.316 323 I HA 0.277 4.447 4.170 0.000 0.000 0.286 323 I C 0.790 176.852 176.117 -0.092 0.000 1.107 323 I CA 0.022 61.267 61.300 -0.092 0.000 1.219 323 I CB 0.152 38.100 38.000 -0.086 0.000 1.455 323 I HN 0.977 nan 8.210 nan 0.000 0.498 324 D N 3.609 123.948 120.400 -0.102 0.000 2.317 324 D HA -0.070 4.571 4.640 0.000 0.000 0.211 324 D C 1.398 177.650 176.300 -0.079 0.000 0.966 324 D CA 0.965 54.900 54.000 -0.108 0.000 0.876 324 D CB 0.253 40.964 40.800 -0.149 0.000 0.927 324 D HN 0.668 nan 8.370 nan 0.000 0.519 325 G N -0.148 108.610 108.800 -0.071 0.000 2.136 325 G HA2 -0.266 3.695 3.960 0.000 0.000 0.242 325 G HA3 -0.266 3.695 3.960 0.000 0.000 0.242 325 G C 0.728 175.604 174.900 -0.039 0.000 0.989 325 G CA 0.730 45.799 45.100 -0.053 0.000 0.682 325 G HN 0.307 nan 8.290 nan 0.000 0.522 326 M N -1.939 117.634 119.600 -0.045 0.000 2.463 326 M HA 0.364 4.844 4.480 0.000 0.000 0.201 326 M C 2.084 178.370 176.300 -0.024 0.000 1.799 326 M CA 0.858 56.144 55.300 -0.023 0.000 1.094 326 M CB -0.934 31.654 32.600 -0.021 0.000 1.408 326 M HN 0.261 nan 8.290 nan 0.000 0.581 327 L N 0.763 121.958 121.223 -0.047 0.000 2.162 327 L HA 0.258 4.598 4.340 0.000 0.000 0.205 327 L C 0.099 176.916 176.870 -0.089 0.000 1.086 327 L CA 1.369 56.177 54.840 -0.053 0.000 0.778 327 L CB 0.319 42.340 42.059 -0.064 0.000 0.928 327 L HN 0.148 nan 8.230 nan 0.000 0.446 328 L N -0.117 121.046 121.223 -0.100 0.000 2.404 328 L HA 0.256 4.596 4.340 0.000 0.000 0.272 328 L C 0.272 177.081 176.870 -0.101 0.000 0.980 328 L CA -0.335 54.431 54.840 -0.123 0.000 0.836 328 L CB 2.049 44.027 42.059 -0.135 0.000 1.238 328 L HN -0.004 nan 8.230 nan 0.000 0.408 329 L N 3.034 124.195 121.223 -0.103 0.000 2.554 329 L HA 0.117 4.457 4.340 0.000 0.000 0.226 329 L C 0.398 177.221 176.870 -0.078 0.000 1.137 329 L CA 0.639 55.433 54.840 -0.077 0.000 0.863 329 L CB -0.401 41.619 42.059 -0.064 0.000 0.985 329 L HN 0.639 nan 8.230 nan 0.000 0.451 330 K N -1.956 118.388 120.400 -0.094 0.000 2.736 330 K HA 0.183 4.503 4.320 0.000 0.000 0.290 330 K C -0.468 176.074 176.600 -0.096 0.000 1.033 330 K CA -0.748 55.488 56.287 -0.085 0.000 0.852 330 K CB 0.258 32.715 32.500 -0.072 0.000 1.494 330 K HN -0.126 nan 8.250 nan 0.000 0.378 331 T N -0.963 113.540 114.554 -0.086 0.000 2.923 331 T HA 0.012 4.362 4.350 0.000 0.000 0.320 331 T C -1.829 172.815 174.700 -0.093 0.000 1.074 331 T CA -0.357 61.689 62.100 -0.090 0.000 1.131 331 T CB -0.063 68.757 68.868 -0.080 0.000 1.058 331 T HN 0.393 nan 8.240 nan 0.000 0.535 332 P HA -0.062 nan 4.420 nan 0.000 0.217 332 P C 1.411 178.670 177.300 -0.069 0.000 1.150 332 P CA 0.930 63.973 63.100 -0.094 0.000 0.832 332 P CB 0.053 31.694 31.700 -0.097 0.000 0.787 333 E N -0.045 120.117 120.200 -0.063 0.000 2.097 333 E HA -0.205 4.145 4.350 0.000 0.000 0.196 333 E C 1.896 178.474 176.600 -0.037 0.000 1.000 333 E CA 1.385 57.759 56.400 -0.045 0.000 0.804 333 E CB -0.793 28.878 29.700 -0.048 0.000 0.740 333 E HN 0.445 nan 8.360 nan 0.000 0.454 334 E N 0.282 120.454 120.200 -0.047 0.000 2.008 334 E HA -0.102 4.249 4.350 0.000 0.000 0.191 334 E C 2.272 178.846 176.600 -0.044 0.000 0.986 334 E CA 0.731 57.107 56.400 -0.041 0.000 0.807 334 E CB -0.304 29.367 29.700 -0.047 0.000 0.766 334 E HN 0.140 nan 8.360 nan 0.000 0.450 335 L N 1.424 122.607 121.223 -0.068 0.000 2.034 335 L HA -0.324 4.016 4.340 0.000 0.000 0.217 335 L C 2.871 179.709 176.870 -0.055 0.000 1.077 335 L CA 1.993 56.780 54.840 -0.089 0.000 0.769 335 L CB -0.818 41.152 42.059 -0.148 0.000 0.890 335 L HN 0.308 nan 8.230 nan 0.000 0.435 336 Q N -0.098 119.682 119.800 -0.032 0.000 2.439 336 Q HA -0.098 4.242 4.340 0.000 0.000 0.211 336 Q C 1.413 177.428 176.000 0.025 0.000 0.978 336 Q CA 1.205 57.016 55.803 0.012 0.000 0.897 336 Q CB -0.211 28.542 28.738 0.025 0.000 0.956 336 Q HN 0.447 nan 8.270 nan 0.000 0.483 337 A N 1.069 123.894 122.820 0.008 0.000 2.532 337 A HA 0.116 4.436 4.320 0.000 0.000 0.273 337 A C -0.120 177.473 177.584 0.015 0.000 1.342 337 A CA -0.283 51.762 52.037 0.014 0.000 0.929 337 A CB 0.051 19.055 19.000 0.006 0.000 1.051 337 A HN 0.405 nan 8.150 nan 0.000 0.521 338 E N 0.514 120.727 120.200 0.022 0.000 2.460 338 E HA 0.317 4.667 4.350 0.000 0.000 0.249 338 E C -0.937 175.700 176.600 0.061 0.000 0.962 338 E CA -0.678 55.740 56.400 0.031 0.000 0.787 338 E CB 0.445 30.155 29.700 0.016 0.000 1.341 338 E HN 0.208 nan 8.360 nan 0.000 0.407 339 R N 2.693 123.226 120.500 0.056 0.000 4.556 339 R HA 0.224 4.564 4.340 0.000 0.000 0.197 339 R C -0.482 175.861 176.300 0.072 0.000 1.791 339 R CA 0.024 56.163 56.100 0.065 0.000 1.526 339 R CB -0.537 29.785 30.300 0.037 0.000 1.410 339 R HN 0.372 nan 8.270 nan 0.000 0.826 340 N N -0.635 118.133 118.700 0.112 0.000 2.167 340 N HA 0.103 4.843 4.740 0.000 0.000 0.234 340 N C -1.195 174.418 175.510 0.173 0.000 1.312 340 N CA -0.219 52.894 53.050 0.104 0.000 0.861 340 N CB 0.473 39.009 38.487 0.081 0.000 1.217 340 N HN 0.159 nan 8.380 nan 0.000 0.504 341 F N 1.215 121.182 119.950 0.029 0.000 2.440 341 F HA 0.357 4.884 4.527 0.000 0.000 0.328 341 F C 0.660 176.511 175.800 0.085 0.000 1.070 341 F CA -1.133 56.895 58.000 0.046 0.000 1.011 341 F CB 0.877 39.900 39.000 0.037 0.000 1.226 341 F HN 0.031 nan 8.300 nan 0.000 0.491 342 H N 2.492 121.114 119.070 -0.748 0.000 3.046 342 H HA 0.215 4.772 4.556 0.000 0.000 0.303 342 H C -0.447 174.734 175.328 -0.245 0.000 1.002 342 H CA 0.061 55.817 56.048 -0.488 0.000 1.460 342 H CB 0.500 29.888 29.762 -0.623 0.000 1.493 342 H HN 0.719 nan 8.280 nan 0.000 0.559 343 T N 2.248 116.773 114.554 -0.049 0.000 2.945 343 T HA 0.556 4.906 4.350 0.000 0.000 0.286 343 T C -0.060 174.541 174.700 -0.166 0.000 1.025 343 T CA -0.500 61.562 62.100 -0.063 0.000 1.039 343 T CB 1.812 70.691 68.868 0.019 0.000 1.068 343 T HN 0.482 nan 8.240 nan 0.000 0.497 344 V N -2.542 117.357 119.914 -0.024 0.000 3.178 344 V HA 0.707 4.827 4.120 0.000 0.000 0.302 344 V C -3.299 172.917 176.094 0.203 0.000 1.262 344 V CA -3.071 59.218 62.300 -0.019 0.000 1.030 344 V CB 1.232 32.947 31.823 -0.180 0.000 1.074 344 V HN 0.706 nan 8.190 nan 0.000 0.438 345 P HA 0.128 nan 4.420 nan 0.000 0.263 345 P C -1.432 176.193 177.300 0.542 0.000 1.175 345 P CA 0.740 64.037 63.100 0.328 0.000 0.761 345 P CB -0.151 31.607 31.700 0.096 0.000 0.794 346 Y N 3.458 124.004 120.300 0.409 0.000 2.354 346 Y HA 0.473 5.023 4.550 0.000 0.000 0.330 346 Y C -0.779 175.118 175.900 -0.005 0.000 1.011 346 Y CA -1.422 56.766 58.100 0.148 0.000 1.099 346 Y CB 1.418 39.626 38.460 -0.421 0.000 1.179 346 Y HN 0.213 nan 8.280 nan 0.000 0.442 347 M N 7.820 127.387 119.600 -0.055 0.000 2.129 347 M HA 0.580 5.060 4.480 0.000 0.000 0.348 347 M C -2.099 173.917 176.300 -0.474 0.000 1.116 347 M CA -0.649 54.359 55.300 -0.487 0.000 1.022 347 M CB 0.889 32.880 32.600 -1.015 0.000 1.599 347 M HN 0.443 nan 8.290 nan 0.000 0.449 348 V N 4.252 123.849 119.914 -0.528 0.000 2.540 348 V HA 0.935 5.055 4.120 0.000 0.000 0.302 348 V C 0.149 175.924 176.094 -0.531 0.000 1.035 348 V CA -0.585 61.396 62.300 -0.532 0.000 0.873 348 V CB 1.659 33.092 31.823 -0.650 0.000 0.992 348 V HN 1.011 nan 8.190 nan 0.000 0.428 349 G N 3.640 112.057 108.800 -0.638 0.000 2.704 349 G HA2 0.828 4.789 3.960 0.000 0.000 0.293 349 G HA3 0.828 4.789 3.960 0.000 0.000 0.293 349 G C -1.401 173.120 174.900 -0.630 0.000 1.421 349 G CA -0.570 43.827 45.100 -1.172 0.000 0.870 349 G HN 0.971 nan 8.290 nan 0.000 0.492 350 I N -2.176 118.153 120.570 -0.400 0.000 3.239 350 I HA 0.646 4.816 4.170 0.000 0.000 0.314 350 I C -0.814 175.398 176.117 0.158 0.000 1.126 350 I CA -1.433 59.837 61.300 -0.049 0.000 0.973 350 I CB 2.394 40.385 38.000 -0.016 0.000 1.252 350 I HN 0.466 nan 8.210 nan 0.000 0.463 351 N N 1.319 120.120 118.700 0.167 0.000 2.477 351 N HA 0.262 5.002 4.740 0.000 0.000 0.284 351 N C 0.060 175.682 175.510 0.187 0.000 1.182 351 N CA -0.831 52.377 53.050 0.262 0.000 0.949 351 N CB 1.814 40.444 38.487 0.237 0.000 1.204 351 N HN 0.523 nan 8.380 nan 0.000 0.526 352 K N 0.663 121.186 120.400 0.205 0.000 2.009 352 K HA -0.133 4.187 4.320 0.000 0.000 0.210 352 K C 0.001 176.685 176.600 0.139 0.000 1.049 352 K CA 1.786 58.164 56.287 0.152 0.000 0.929 352 K CB 0.134 32.714 32.500 0.133 0.000 0.714 352 K HN 0.508 nan 8.250 nan 0.000 0.440 353 Q N 0.409 120.297 119.800 0.148 0.000 2.700 353 Q HA 0.128 4.468 4.340 0.000 0.000 0.249 353 Q C -0.187 175.895 176.000 0.136 0.000 1.033 353 Q CA -0.360 55.531 55.803 0.147 0.000 0.804 353 Q CB 1.615 30.442 28.738 0.149 0.000 1.164 353 Q HN 0.122 nan 8.270 nan 0.000 0.500 354 E N 0.522 120.776 120.200 0.088 0.000 2.110 354 E HA -0.161 4.189 4.350 0.000 0.000 0.193 354 E C 0.433 177.066 176.600 0.054 0.000 0.988 354 E CA 1.199 57.566 56.400 -0.055 0.000 0.804 354 E CB 0.167 29.641 29.700 -0.377 0.000 0.745 354 E HN 0.502 nan 8.360 nan 0.000 0.458 355 F N 0.474 120.419 119.950 -0.008 0.000 2.668 355 F HA 0.249 4.776 4.527 0.000 0.000 0.297 355 F C 1.633 177.444 175.800 0.019 0.000 1.124 355 F CA -0.229 57.757 58.000 -0.024 0.000 1.353 355 F CB 0.313 39.272 39.000 -0.068 0.000 0.992 355 F HN -0.070 nan 8.300 nan 0.000 0.524 356 G N 0.865 109.715 108.800 0.084 0.000 2.666 356 G HA2 -0.318 3.642 3.960 0.000 0.000 0.215 356 G HA3 -0.318 3.642 3.960 0.000 0.000 0.215 356 G C 1.024 175.991 174.900 0.113 0.000 1.294 356 G CA 1.363 46.537 45.100 0.123 0.000 0.811 356 G HN 0.572 nan 8.290 nan 0.000 0.594 357 W N -0.395 120.870 121.300 -0.058 0.000 3.614 357 W HA 0.385 5.045 4.660 0.000 0.000 0.229 357 W C 2.110 178.574 176.519 -0.093 0.000 0.916 357 W CA 0.329 57.636 57.345 -0.064 0.000 2.162 357 W CB -0.699 28.761 29.460 0.001 0.000 1.061 357 W HN 0.164 nan 8.180 nan 0.000 0.704 358 L N 1.956 123.054 121.223 -0.208 0.000 1.980 358 L HA -0.320 4.020 4.340 0.000 0.000 0.232 358 L C 2.299 178.878 176.870 -0.486 0.000 1.092 358 L CA 3.107 57.674 54.840 -0.456 0.000 0.808 358 L CB -1.392 40.702 42.059 0.060 0.000 0.908 358 L HN 0.230 nan 8.230 nan 0.000 0.442 359 I N -0.784 119.578 120.570 -0.346 0.000 2.091 359 I HA -0.286 3.884 4.170 0.000 0.000 0.239 359 I C -0.178 175.641 176.117 -0.497 0.000 1.061 359 I CA 1.893 62.967 61.300 -0.377 0.000 1.317 359 I CB -1.961 35.825 38.000 -0.356 0.000 1.031 359 I HN 0.304 nan 8.210 nan 0.000 0.401 360 P HA -0.194 nan 4.420 nan 0.000 0.215 360 P C 1.175 178.311 177.300 -0.273 0.000 1.157 360 P CA 1.267 64.004 63.100 -0.605 0.000 0.874 360 P CB -0.081 31.203 31.700 -0.693 0.000 0.790 364 M N -0.193 119.373 119.600 -0.056 0.000 2.502 364 M HA 0.144 4.624 4.480 0.000 0.000 0.243 364 M C 0.631 176.977 176.300 0.076 0.000 1.130 364 M CA 0.409 55.734 55.300 0.040 0.000 1.055 364 M CB 0.558 33.224 32.600 0.111 0.000 1.457 364 M HN 0.242 nan 8.290 nan 0.000 0.488 365 S N -0.472 115.255 115.700 0.044 0.000 3.672 365 S HA -0.190 4.280 4.470 0.000 0.000 0.319 365 S C -0.173 174.498 174.600 0.119 0.000 1.151 365 S CA 0.150 58.385 58.200 0.058 0.000 0.911 365 S CB -2.508 60.715 63.200 0.038 0.000 0.939 365 S HN 0.566 nan 8.310 nan 0.000 0.524 366 Y N 2.534 122.848 120.300 0.023 0.000 2.811 366 Y HA 0.213 4.763 4.550 0.000 0.000 0.334 366 Y C -1.902 174.056 175.900 0.096 0.000 1.247 366 Y CA -0.725 57.430 58.100 0.092 0.000 1.526 366 Y CB 0.252 38.792 38.460 0.132 0.000 1.284 366 Y HN 0.039 nan 8.280 nan 0.000 0.586 367 P HA 0.119 nan 4.420 nan 0.000 0.244 367 P C -0.869 176.437 177.300 0.010 0.000 1.723 367 P CA 0.710 63.745 63.100 -0.108 0.000 1.110 367 P CB -0.318 31.269 31.700 -0.188 0.000 1.972 368 L N 0.780 122.075 121.223 0.119 0.000 2.783 368 L HA 0.199 4.539 4.340 0.000 0.000 0.265 368 L C 1.019 177.965 176.870 0.127 0.000 1.398 368 L CA 0.061 55.002 54.840 0.169 0.000 0.802 368 L CB 0.582 42.813 42.059 0.287 0.000 1.126 368 L HN 0.051 nan 8.230 nan 0.000 0.529 369 S N -0.484 115.267 115.700 0.085 0.000 2.406 369 S HA -0.042 4.428 4.470 0.000 0.000 0.224 369 S C 1.665 176.305 174.600 0.067 0.000 1.030 369 S CA 0.630 58.873 58.200 0.072 0.000 0.958 369 S CB 0.220 63.449 63.200 0.050 0.000 0.811 369 S HN 0.471 nan 8.310 nan 0.000 0.489 370 E N 0.912 121.149 120.200 0.061 0.000 2.106 370 E HA 0.018 4.368 4.350 0.000 0.000 0.192 370 E C 1.665 178.304 176.600 0.065 0.000 0.984 370 E CA 0.870 57.302 56.400 0.054 0.000 0.806 370 E CB -0.641 29.084 29.700 0.042 0.000 0.750 370 E HN 0.560 nan 8.360 nan 0.000 0.458 371 G N 1.725 110.578 108.800 0.088 0.000 2.136 371 G HA2 -0.284 3.676 3.960 0.000 0.000 0.242 371 G HA3 -0.284 3.676 3.960 0.000 0.000 0.242 371 G C 0.162 175.116 174.900 0.089 0.000 0.989 371 G CA 0.848 46.007 45.100 0.099 0.000 0.682 371 G HN 0.400 nan 8.290 nan 0.000 0.522 372 Q N -1.950 117.897 119.800 0.078 0.000 2.626 372 Q HA 0.925 5.265 4.340 0.000 0.000 0.300 372 Q C -1.355 174.673 176.000 0.047 0.000 0.988 372 Q CA -1.320 54.521 55.803 0.063 0.000 0.761 372 Q CB 2.061 30.826 28.738 0.045 0.000 1.494 372 Q HN 0.655 nan 8.270 nan 0.000 0.439 373 L N 0.440 121.680 121.223 0.029 0.000 2.892 373 L HA 0.551 4.892 4.340 0.000 0.000 0.269 373 L C -2.239 174.623 176.870 -0.013 0.000 1.058 373 L CA -0.112 54.722 54.840 -0.011 0.000 0.923 373 L CB 2.429 44.460 42.059 -0.047 0.000 1.518 373 L HN 0.994 nan 8.230 nan 0.000 0.402 374 D N 0.086 120.463 120.400 -0.039 0.000 2.661 374 D HA 0.205 4.845 4.640 0.000 0.000 0.228 374 D C -0.254 176.025 176.300 -0.035 0.000 1.183 374 D CA -0.433 53.554 54.000 -0.023 0.000 0.844 374 D CB 1.429 42.221 40.800 -0.014 0.000 1.555 374 D HN 0.441 nan 8.370 nan 0.000 0.453 375 Q N 0.587 120.380 119.800 -0.012 0.000 2.290 375 Q HA -0.180 4.160 4.340 0.000 0.000 0.211 375 Q C 1.323 177.316 176.000 -0.011 0.000 0.991 375 Q CA 1.477 57.278 55.803 -0.004 0.000 0.893 375 Q CB 0.001 28.745 28.738 0.009 0.000 0.913 375 Q HN 0.531 nan 8.270 nan 0.000 0.428 376 K N -0.406 119.984 120.400 -0.017 0.000 1.992 376 K HA -0.013 4.307 4.320 0.000 0.000 0.210 376 K C 2.231 178.816 176.600 -0.024 0.000 1.036 376 K CA 1.325 57.604 56.287 -0.012 0.000 0.946 376 K CB -0.534 31.961 32.500 -0.008 0.000 0.742 376 K HN 0.100 nan 8.250 nan 0.000 0.442 377 T N 2.098 116.626 114.554 -0.042 0.000 2.680 377 T HA -0.243 4.108 4.350 0.000 0.000 0.268 377 T C 1.993 176.617 174.700 -0.127 0.000 1.033 377 T CA 1.733 63.794 62.100 -0.065 0.000 1.152 377 T CB -0.440 68.380 68.868 -0.079 0.000 0.859 377 T HN 0.399 nan 8.240 nan 0.000 0.452 378 A N 1.652 124.357 122.820 -0.192 0.000 1.859 378 A HA -0.153 4.167 4.320 0.000 0.000 0.217 378 A C 2.332 179.862 177.584 -0.091 0.000 1.198 378 A CA 2.037 53.872 52.037 -0.336 0.000 0.629 378 A CB -0.792 18.082 19.000 -0.209 0.000 0.830 378 A HN 0.514 nan 8.150 nan 0.000 0.446 379 M N -0.772 118.835 119.600 0.011 0.000 2.446 379 M HA -0.085 4.395 4.480 0.000 0.000 0.263 379 M C 2.303 178.687 176.300 0.141 0.000 1.066 379 M CA 1.393 56.748 55.300 0.092 0.000 1.087 379 M CB -0.208 32.422 32.600 0.050 0.000 1.406 379 M HN 0.543 nan 8.290 nan 0.000 0.459 380 S N 0.430 116.189 115.700 0.100 0.000 2.427 380 S HA 0.098 4.568 4.470 0.000 0.000 0.224 380 S C 1.699 176.407 174.600 0.181 0.000 1.047 380 S CA 0.212 58.502 58.200 0.150 0.000 0.953 380 S CB 0.117 63.363 63.200 0.076 0.000 0.824 380 S HN 0.417 nan 8.310 nan 0.000 0.502 381 L N 1.035 122.323 121.223 0.107 0.000 2.056 381 L HA -0.016 4.324 4.340 0.000 0.000 0.207 381 L C 2.345 179.446 176.870 0.384 0.000 1.078 381 L CA 0.944 55.881 54.840 0.162 0.000 0.749 381 L CB -0.280 41.819 42.059 0.066 0.000 0.901 381 L HN 0.364 nan 8.230 nan 0.000 0.433 382 L N -0.847 120.674 121.223 0.495 0.000 2.083 382 L HA -0.267 4.073 4.340 0.000 0.000 0.209 382 L C 2.136 179.282 176.870 0.461 0.000 1.083 382 L CA 1.800 56.961 54.840 0.534 0.000 0.752 382 L CB -0.726 41.663 42.059 0.549 0.000 0.899 382 L HN 0.371 nan 8.230 nan 0.000 0.433 383 W N 0.674 122.093 121.300 0.199 0.000 2.355 383 W HA -0.265 4.396 4.660 0.000 0.000 0.309 383 W C 2.160 178.779 176.519 0.167 0.000 1.206 383 W CA 1.360 58.802 57.345 0.161 0.000 1.284 383 W CB 0.066 29.580 29.460 0.089 0.000 1.145 383 W HN 0.108 nan 8.180 nan 0.000 0.502 384 K N 0.181 120.622 120.400 0.068 0.000 2.209 384 K HA -0.094 4.226 4.320 0.000 0.000 0.204 384 K C 1.700 178.295 176.600 -0.009 0.000 1.048 384 K CA 1.341 57.570 56.287 -0.096 0.000 0.940 384 K CB -0.328 32.165 32.500 -0.012 0.000 0.729 384 K HN -0.100 nan 8.250 nan 0.000 0.451 385 S N 0.605 116.379 115.700 0.124 0.000 2.754 385 S HA -0.021 4.449 4.470 0.000 0.000 0.223 385 S C 0.929 175.569 174.600 0.065 0.000 0.951 385 S CA -0.187 58.098 58.200 0.143 0.000 0.954 385 S CB -0.306 63.034 63.200 0.233 0.000 0.780 385 S HN 0.314 nan 8.310 nan 0.000 0.509 386 Y N 3.832 124.060 120.300 -0.119 0.000 2.207 386 Y HA -0.094 4.456 4.550 0.000 0.000 0.287 386 Y C -0.942 174.875 175.900 -0.139 0.000 1.156 386 Y CA 1.300 59.303 58.100 -0.161 0.000 1.182 386 Y CB -0.938 37.245 38.460 -0.461 0.000 0.979 386 Y HN 0.260 nan 8.280 nan 0.000 0.521 387 P HA -0.090 nan 4.420 nan 0.000 0.239 387 P C 0.831 178.013 177.300 -0.197 0.000 1.184 387 P CA 1.371 64.367 63.100 -0.174 0.000 0.760 387 P CB 0.040 31.706 31.700 -0.057 0.000 0.884 388 L N -1.025 120.082 121.223 -0.193 0.000 2.586 388 L HA 0.086 4.426 4.340 0.000 0.000 0.204 388 L C 2.085 178.789 176.870 -0.277 0.000 1.053 388 L CA 0.458 55.175 54.840 -0.206 0.000 0.856 388 L CB -0.040 41.928 42.059 -0.151 0.000 1.192 388 L HN -0.228 nan 8.230 nan 0.000 0.484 389 V N -4.951 114.812 119.914 -0.252 0.000 3.578 389 V HA 0.170 4.290 4.120 0.000 0.000 0.290 389 V C 0.853 176.831 176.094 -0.193 0.000 1.376 389 V CA -0.926 61.233 62.300 -0.235 0.000 1.083 389 V CB -0.654 31.049 31.823 -0.200 0.000 0.911 389 V HN 0.453 nan 8.190 nan 0.000 0.433 390 C N 2.017 121.088 119.300 -0.382 0.000 2.527 390 C HA -0.173 4.287 4.460 0.000 0.000 0.230 390 C C 0.374 175.298 174.990 -0.110 0.000 1.222 390 C CA 0.433 59.089 59.018 -0.603 0.000 2.667 390 C CB -2.703 24.684 27.740 -0.587 0.000 1.625 390 C HN 0.661 nan 8.230 nan 0.000 0.361 391 I N 1.723 122.481 120.570 0.313 0.000 2.447 391 I HA 0.516 4.686 4.170 0.000 0.000 0.287 391 I C 0.719 177.258 176.117 0.702 0.000 1.023 391 I CA -0.290 61.329 61.300 0.532 0.000 1.083 391 I CB 1.428 39.744 38.000 0.526 0.000 1.245 391 I HN 0.581 nan 8.210 nan 0.000 0.434 392 A N 5.702 128.815 122.820 0.488 0.000 2.498 392 A HA 0.076 4.396 4.320 0.000 0.000 0.239 392 A C 1.387 178.994 177.584 0.038 0.000 1.068 392 A CA 0.068 52.287 52.037 0.302 0.000 0.766 392 A CB 0.289 19.391 19.000 0.170 0.000 1.003 392 A HN 0.938 nan 8.150 nan 0.000 0.497 393 K N 0.963 121.069 120.400 -0.491 0.000 2.063 393 K HA -0.185 4.135 4.320 0.000 0.000 0.208 393 K C 1.732 178.132 176.600 -0.333 0.000 1.048 393 K CA 1.859 57.660 56.287 -0.809 0.000 0.928 393 K CB -0.004 31.655 32.500 -1.403 0.000 0.713 393 K HN 0.895 nan 8.250 nan 0.000 0.442 394 E N 0.728 120.802 120.200 -0.210 0.000 2.472 394 E HA -0.186 4.164 4.350 0.000 0.000 0.200 394 E C 1.532 178.113 176.600 -0.031 0.000 1.046 394 E CA 0.904 57.241 56.400 -0.105 0.000 0.871 394 E CB -0.067 29.592 29.700 -0.068 0.000 0.806 394 E HN 0.439 nan 8.360 nan 0.000 0.533 395 L N -0.054 121.176 121.223 0.012 0.000 2.470 395 L HA 0.069 4.409 4.340 0.000 0.000 0.219 395 L C 2.363 179.298 176.870 0.108 0.000 1.071 395 L CA -0.210 54.681 54.840 0.084 0.000 0.850 395 L CB -0.175 41.991 42.059 0.179 0.000 1.040 395 L HN -0.041 nan 8.230 nan 0.000 0.475 396 I N 1.067 121.695 120.570 0.098 0.000 2.130 396 I HA -0.291 3.879 4.170 0.000 0.000 0.241 396 I C -0.035 176.156 176.117 0.124 0.000 1.023 396 I CA 2.466 63.849 61.300 0.138 0.000 1.293 396 I CB -2.394 35.641 38.000 0.059 0.000 1.001 396 I HN 0.169 nan 8.210 nan 0.000 0.407 397 P HA -0.180 nan 4.420 nan 0.000 0.210 397 P C 1.592 178.943 177.300 0.085 0.000 1.185 397 P CA 1.642 64.778 63.100 0.060 0.000 0.924 397 P CB -0.158 31.556 31.700 0.024 0.000 0.786 398 E N -0.505 119.744 120.200 0.081 0.000 2.136 398 E HA -0.284 4.066 4.350 0.000 0.000 0.202 398 E C 2.022 178.733 176.600 0.185 0.000 1.019 398 E CA 1.643 58.110 56.400 0.111 0.000 0.819 398 E CB -0.724 29.030 29.700 0.091 0.000 0.739 398 E HN 0.204 nan 8.360 nan 0.000 0.458 399 A N 0.922 123.860 122.820 0.197 0.000 1.855 399 A HA -0.156 4.164 4.320 0.000 0.000 0.215 399 A C 2.447 180.150 177.584 0.199 0.000 1.191 399 A CA 1.925 54.097 52.037 0.225 0.000 0.613 399 A CB -0.943 18.219 19.000 0.270 0.000 0.829 399 A HN 0.217 nan 8.150 nan 0.000 0.442 400 T N -0.138 114.534 114.554 0.198 0.000 2.737 400 T HA -0.182 4.168 4.350 0.000 0.000 0.269 400 T C 1.868 176.659 174.700 0.151 0.000 1.040 400 T CA 1.822 64.039 62.100 0.195 0.000 1.142 400 T CB -0.245 68.714 68.868 0.152 0.000 0.861 400 T HN 0.589 nan 8.240 nan 0.000 0.456 401 E N 1.574 121.832 120.200 0.096 0.000 2.015 401 E HA -0.103 4.247 4.350 0.000 0.000 0.191 401 E C 2.125 178.723 176.600 -0.004 0.000 0.991 401 E CA 1.346 57.772 56.400 0.044 0.000 0.802 401 E CB -0.366 29.348 29.700 0.023 0.000 0.759 401 E HN 0.212 nan 8.360 nan 0.000 0.447 402 K N -0.855 119.489 120.400 -0.094 0.000 2.189 402 K HA -0.200 4.120 4.320 0.000 0.000 0.207 402 K C 1.737 178.197 176.600 -0.234 0.000 1.046 402 K CA 1.656 57.749 56.287 -0.323 0.000 0.928 402 K CB -0.528 31.392 32.500 -0.968 0.000 0.720 402 K HN 0.273 nan 8.250 nan 0.000 0.458 403 Y N -0.651 119.548 120.300 -0.168 0.000 2.265 403 Y HA 0.216 4.766 4.550 0.000 0.000 0.290 403 Y C 1.530 177.441 175.900 0.019 0.000 1.137 403 Y CA 0.687 58.763 58.100 -0.040 0.000 1.147 403 Y CB -0.017 38.490 38.460 0.080 0.000 1.104 403 Y HN -0.155 nan 8.280 nan 0.000 0.514 404 L N -0.021 121.345 121.223 0.237 0.000 2.675 404 L HA 0.118 4.458 4.340 0.000 0.000 0.239 404 L C 1.771 178.688 176.870 0.078 0.000 1.151 404 L CA 0.597 55.530 54.840 0.156 0.000 0.905 404 L CB -0.730 41.424 42.059 0.158 0.000 1.057 404 L HN 0.303 nan 8.230 nan 0.000 0.435 405 G N -0.504 108.322 108.800 0.043 0.000 2.880 405 G HA2 0.052 4.012 3.960 0.000 0.000 0.209 405 G HA3 0.052 4.012 3.960 0.000 0.000 0.209 405 G C 1.350 176.249 174.900 -0.001 0.000 1.157 405 G CA 0.473 45.580 45.100 0.011 0.000 0.779 405 G HN 0.419 nan 8.290 nan 0.000 0.539 406 G N 0.897 109.697 108.800 -0.000 0.000 2.844 406 G HA2 0.072 4.032 3.960 0.000 0.000 0.211 406 G HA3 0.072 4.032 3.960 0.000 0.000 0.211 406 G C 1.136 176.039 174.900 0.004 0.000 1.368 406 G CA 1.796 46.892 45.100 -0.006 0.000 0.815 406 G HN 0.702 nan 8.290 nan 0.000 0.649 407 T N -3.444 111.120 114.554 0.016 0.000 2.844 407 T HA 0.488 4.839 4.350 0.000 0.000 0.274 407 T C 0.330 175.043 174.700 0.021 0.000 0.991 407 T CA -0.011 62.098 62.100 0.016 0.000 0.983 407 T CB 1.819 70.698 68.868 0.019 0.000 1.310 407 T HN 0.098 nan 8.240 nan 0.000 0.596 408 D N -0.365 120.047 120.400 0.019 0.000 2.360 408 D HA 0.069 4.709 4.640 0.000 0.000 0.210 408 D C 0.101 176.415 176.300 0.024 0.000 1.047 408 D CA 0.022 54.034 54.000 0.020 0.000 0.854 408 D CB -0.026 40.782 40.800 0.014 0.000 0.936 408 D HN 0.582 nan 8.370 nan 0.000 0.514 409 D N 2.104 122.521 120.400 0.027 0.000 2.554 409 D HA -0.082 4.558 4.640 0.000 0.000 0.251 409 D C 1.529 177.852 176.300 0.039 0.000 1.213 409 D CA 0.374 54.393 54.000 0.032 0.000 0.900 409 D CB 0.945 41.765 40.800 0.035 0.000 1.135 409 D HN 0.091 nan 8.370 nan 0.000 0.522 410 T N 0.562 115.136 114.554 0.035 0.000 2.881 410 T HA -0.140 4.210 4.350 0.000 0.000 0.270 410 T C 1.917 176.649 174.700 0.053 0.000 1.068 410 T CA 1.034 63.156 62.100 0.037 0.000 1.131 410 T CB -0.125 68.761 68.868 0.029 0.000 0.871 410 T HN 0.239 nan 8.240 nan 0.000 0.479 411 V N 1.471 121.418 119.914 0.055 0.000 2.346 411 V HA -0.017 4.103 4.120 0.000 0.000 0.244 411 V C 2.733 178.877 176.094 0.084 0.000 1.037 411 V CA 1.362 63.703 62.300 0.069 0.000 1.029 411 V CB -0.524 31.334 31.823 0.057 0.000 0.663 411 V HN 0.423 nan 8.190 nan 0.000 0.454 412 K N 0.236 120.680 120.400 0.073 0.000 2.211 412 K HA -0.207 4.113 4.320 0.000 0.000 0.204 412 K C 2.169 178.834 176.600 0.109 0.000 1.047 412 K CA 1.359 57.695 56.287 0.081 0.000 0.935 412 K CB -0.167 32.370 32.500 0.062 0.000 0.728 412 K HN 0.461 nan 8.250 nan 0.000 0.452 413 K N 0.957 121.420 120.400 0.105 0.000 1.984 413 K HA -0.165 4.156 4.320 0.000 0.000 0.209 413 K C 2.118 178.833 176.600 0.191 0.000 1.046 413 K CA 1.242 57.606 56.287 0.129 0.000 0.934 413 K CB -0.134 32.415 32.500 0.082 0.000 0.717 413 K HN 0.045 nan 8.250 nan 0.000 0.438 414 K N 1.384 121.888 120.400 0.173 0.000 2.052 414 K HA -0.271 4.049 4.320 0.000 0.000 0.215 414 K C 1.499 178.288 176.600 0.314 0.000 1.053 414 K CA 2.347 58.782 56.287 0.248 0.000 0.934 414 K CB -0.197 32.423 32.500 0.200 0.000 0.717 414 K HN 0.128 nan 8.250 nan 0.000 0.450 415 D N 0.777 121.316 120.400 0.232 0.000 2.104 415 D HA -0.197 4.444 4.640 0.000 0.000 0.194 415 D C 2.154 178.601 176.300 0.244 0.000 0.994 415 D CA 1.297 55.427 54.000 0.217 0.000 0.830 415 D CB -0.258 40.637 40.800 0.158 0.000 0.959 415 D HN 0.312 nan 8.370 nan 0.000 0.452 416 L N -0.112 121.263 121.223 0.253 0.000 2.141 416 L HA -0.136 4.204 4.340 0.000 0.000 0.209 416 L C 2.371 179.470 176.870 0.382 0.000 1.094 416 L CA 0.398 55.418 54.840 0.299 0.000 0.763 416 L CB -0.257 41.962 42.059 0.267 0.000 0.908 416 L HN -0.065 nan 8.230 nan 0.000 0.437 417 F N 0.606 120.674 119.950 0.196 0.000 2.134 417 F HA -0.206 4.321 4.527 0.000 0.000 0.299 417 F C 2.114 177.991 175.800 0.129 0.000 1.097 417 F CA 1.467 59.561 58.000 0.157 0.000 1.264 417 F CB -0.236 38.866 39.000 0.171 0.000 1.001 417 F HN -0.107 nan 8.300 nan 0.000 0.479 418 L N -0.312 121.015 121.223 0.173 0.000 2.131 418 L HA -0.210 4.130 4.340 0.000 0.000 0.210 418 L C 2.136 179.050 176.870 0.073 0.000 1.092 418 L CA 1.305 56.222 54.840 0.129 0.000 0.759 418 L CB -0.806 41.428 42.059 0.292 0.000 0.903 418 L HN 0.117 nan 8.230 nan 0.000 0.435 419 D N 0.043 120.533 120.400 0.151 0.000 2.103 419 D HA -0.161 4.479 4.640 0.000 0.000 0.199 419 D C 2.211 178.591 176.300 0.134 0.000 0.978 419 D CA 0.769 54.890 54.000 0.202 0.000 0.829 419 D CB -0.059 40.925 40.800 0.307 0.000 0.981 419 D HN 0.128 nan 8.370 nan 0.000 0.464 420 L N 1.735 122.960 121.223 0.004 0.000 1.976 420 L HA -0.227 4.113 4.340 0.000 0.000 0.223 420 L C 2.318 178.919 176.870 -0.448 0.000 1.081 420 L CA 1.695 56.237 54.840 -0.497 0.000 0.784 420 L CB -1.029 40.749 42.059 -0.469 0.000 0.896 420 L HN 0.024 nan 8.230 nan 0.000 0.438 421 I N 0.110 120.354 120.570 -0.543 0.000 2.226 421 I HA -0.260 3.910 4.170 0.000 0.000 0.245 421 I C 2.717 178.585 176.117 -0.415 0.000 1.100 421 I CA 1.188 62.098 61.300 -0.650 0.000 1.374 421 I CB -0.571 36.757 38.000 -1.121 0.000 1.057 421 I HN 0.350 nan 8.210 nan 0.000 0.413 422 A N 0.107 122.819 122.820 -0.180 0.000 2.076 422 A HA -0.232 4.089 4.320 0.000 0.000 0.220 422 A C 1.912 179.552 177.584 0.094 0.000 1.160 422 A CA 1.887 53.989 52.037 0.108 0.000 0.653 422 A CB -0.497 18.610 19.000 0.177 0.000 0.801 422 A HN 0.419 nan 8.150 nan 0.000 0.455 423 D N -0.796 119.577 120.400 -0.045 0.000 2.240 423 D HA 0.004 4.644 4.640 0.000 0.000 0.206 423 D C 1.983 178.102 176.300 -0.303 0.000 0.963 423 D CA 0.953 54.913 54.000 -0.065 0.000 0.863 423 D CB 0.117 40.970 40.800 0.088 0.000 0.973 423 D HN 0.266 nan 8.370 nan 0.000 0.501 424 V N 1.296 120.901 119.914 -0.513 0.000 2.323 424 V HA -0.179 3.941 4.120 0.000 0.000 0.244 424 V C 2.494 178.330 176.094 -0.431 0.000 1.041 424 V CA 1.247 63.176 62.300 -0.617 0.000 1.025 424 V CB -0.268 31.134 31.823 -0.701 0.000 0.656 424 V HN 0.153 nan 8.190 nan 0.000 0.451 425 M N -1.526 117.792 119.600 -0.470 0.000 2.236 425 M HA 0.014 4.494 4.480 0.000 0.000 0.266 425 M C 1.873 177.688 176.300 -0.808 0.000 1.070 425 M CA 2.063 56.926 55.300 -0.728 0.000 1.137 425 M CB -0.140 31.814 32.600 -1.077 0.000 1.378 425 M HN 0.363 nan 8.290 nan 0.000 0.426 426 F N -1.602 118.280 119.950 -0.114 0.000 2.549 426 F HA 0.359 4.886 4.527 0.000 0.000 0.275 426 F C 2.377 178.130 175.800 -0.079 0.000 0.990 426 F CA 0.163 58.123 58.000 -0.066 0.000 1.274 426 F CB -1.358 37.642 39.000 -0.000 0.000 1.064 426 F HN 0.031 nan 8.300 nan 0.000 0.715 427 G N 1.460 110.337 108.800 0.129 0.000 2.739 427 G HA2 -0.238 3.722 3.960 0.000 0.000 0.216 427 G HA3 -0.238 3.722 3.960 0.000 0.000 0.216 427 G C 1.706 176.602 174.900 -0.008 0.000 1.298 427 G CA 2.111 47.239 45.100 0.047 0.000 0.804 427 G HN 0.141 nan 8.290 nan 0.000 0.623 428 V N 2.478 122.371 119.914 -0.035 0.000 2.231 428 V HA -0.167 3.953 4.120 0.000 0.000 0.248 428 V C 0.531 176.605 176.094 -0.034 0.000 1.054 428 V CA 2.567 64.854 62.300 -0.021 0.000 1.015 428 V CB -1.638 30.152 31.823 -0.055 0.000 0.638 428 V HN 0.311 nan 8.190 nan 0.000 0.444 429 P HA -0.163 nan 4.420 nan 0.000 0.214 429 P C 2.114 179.373 177.300 -0.068 0.000 1.169 429 P CA 2.242 65.302 63.100 -0.067 0.000 0.908 429 P CB -0.169 31.468 31.700 -0.106 0.000 0.791 430 S N -0.790 114.866 115.700 -0.074 0.000 2.359 430 S HA -0.157 4.314 4.470 0.000 0.000 0.222 430 S C 2.017 176.516 174.600 -0.168 0.000 1.038 430 S CA 1.633 59.760 58.200 -0.121 0.000 1.051 430 S CB -1.373 61.759 63.200 -0.113 0.000 0.944 430 S HN -0.075 nan 8.310 nan 0.000 0.433 431 V N 2.015 121.847 119.914 -0.135 0.000 2.332 431 V HA -0.191 3.929 4.120 0.000 0.000 0.248 431 V C 2.048 178.096 176.094 -0.077 0.000 1.055 431 V CA 1.585 63.801 62.300 -0.140 0.000 1.038 431 V CB -0.698 31.096 31.823 -0.049 0.000 0.651 431 V HN 0.440 nan 8.190 nan 0.000 0.450 432 I N -0.451 120.101 120.570 -0.031 0.000 2.099 432 I HA -0.249 3.921 4.170 0.000 0.000 0.239 432 I C 2.426 178.539 176.117 -0.007 0.000 1.066 432 I CA 1.562 62.866 61.300 0.006 0.000 1.324 432 I CB -0.550 37.458 38.000 0.013 0.000 1.037 432 I HN 0.147 nan 8.210 nan 0.000 0.401 433 V N 1.251 121.139 119.914 -0.044 0.000 2.278 433 V HA -0.380 3.741 4.120 0.000 0.000 0.251 433 V C 2.739 178.805 176.094 -0.046 0.000 1.062 433 V CA 2.240 64.519 62.300 -0.035 0.000 1.038 433 V CB -1.212 30.566 31.823 -0.074 0.000 0.646 433 V HN 0.554 nan 8.190 nan 0.000 0.447 434 A N -0.380 122.333 122.820 -0.179 0.000 1.908 434 A HA -0.253 4.067 4.320 0.000 0.000 0.218 434 A C 2.371 179.952 177.584 -0.005 0.000 1.181 434 A CA 2.059 53.944 52.037 -0.254 0.000 0.627 434 A CB -0.526 18.089 19.000 -0.641 0.000 0.818 434 A HN 0.529 nan 8.150 nan 0.000 0.445 435 R N -0.367 120.183 120.500 0.084 0.000 2.082 435 R HA -0.180 4.160 4.340 0.000 0.000 0.234 435 R C 2.085 178.476 176.300 0.152 0.000 1.136 435 R CA 1.906 58.144 56.100 0.230 0.000 0.935 435 R CB -0.577 29.832 30.300 0.183 0.000 0.842 435 R HN 0.656 nan 8.270 nan 0.000 0.430 436 N N -0.299 118.468 118.700 0.113 0.000 2.061 436 N HA -0.223 4.517 4.740 0.000 0.000 0.193 436 N C 1.712 177.302 175.510 0.133 0.000 1.030 436 N CA 1.623 54.735 53.050 0.104 0.000 0.856 436 N CB -0.431 38.110 38.487 0.090 0.000 1.023 436 N HN 0.302 nan 8.380 nan 0.000 0.424 437 H N 0.806 119.922 119.070 0.076 0.000 2.387 437 H HA 0.004 4.560 4.556 0.000 0.000 0.299 437 H C 2.197 177.579 175.328 0.090 0.000 1.099 437 H CA 1.639 57.751 56.048 0.107 0.000 1.315 437 H CB 0.048 29.901 29.762 0.151 0.000 1.380 437 H HN 0.122 nan 8.280 nan 0.000 0.513 438 R N 0.259 120.825 120.500 0.109 0.000 2.070 438 R HA -0.136 4.204 4.340 0.000 0.000 0.232 438 R C 1.464 177.764 176.300 0.000 0.000 1.138 438 R CA 2.020 58.156 56.100 0.061 0.000 0.936 438 R CB -0.253 30.156 30.300 0.180 0.000 0.839 438 R HN 0.371 nan 8.270 nan 0.000 0.429 439 D N 0.551 120.970 120.400 0.033 0.000 2.221 439 D HA -0.152 4.488 4.640 0.000 0.000 0.204 439 D C 1.582 177.877 176.300 -0.008 0.000 0.982 439 D CA 1.406 55.415 54.000 0.015 0.000 0.857 439 D CB -0.223 40.597 40.800 0.033 0.000 0.934 439 D HN 0.455 nan 8.370 nan 0.000 0.475 440 A N -0.131 122.673 122.820 -0.027 0.000 2.216 440 A HA 0.234 4.554 4.320 0.000 0.000 0.214 440 A C 1.932 179.471 177.584 -0.074 0.000 1.160 440 A CA 1.549 53.561 52.037 -0.042 0.000 0.725 440 A CB -0.340 18.630 19.000 -0.050 0.000 0.784 440 A HN 0.315 nan 8.150 nan 0.000 0.472 441 G N -2.739 106.007 108.800 -0.089 0.000 2.175 441 G HA2 0.121 4.081 3.960 0.000 0.000 0.244 441 G HA3 0.121 4.081 3.960 0.000 0.000 0.244 441 G C 0.326 175.158 174.900 -0.113 0.000 0.982 441 G CA 0.294 45.348 45.100 -0.077 0.000 0.641 441 G HN 1.616 nan 8.290 nan 0.000 0.527 442 A N 0.404 123.082 122.820 -0.237 0.000 2.303 442 A HA 0.794 5.114 4.320 0.000 0.000 0.317 442 A C -2.145 175.351 177.584 -0.146 0.000 1.149 442 A CA -1.456 50.425 52.037 -0.260 0.000 0.822 442 A CB 0.760 19.428 19.000 -0.553 0.000 1.131 442 A HN 0.075 nan 8.150 nan 0.000 0.493 443 P HA 0.137 nan 4.420 nan 0.000 0.258 443 P C -0.531 176.820 177.300 0.085 0.000 1.187 443 P CA 0.939 64.050 63.100 0.018 0.000 0.767 443 P CB 0.441 32.203 31.700 0.104 0.000 0.770 444 T N 3.624 118.105 114.554 -0.121 0.000 2.876 444 T HA 0.554 4.904 4.350 0.000 0.000 0.289 444 T C -1.001 173.431 174.700 -0.448 0.000 1.014 444 T CA -0.271 61.783 62.100 -0.077 0.000 0.986 444 T CB 0.790 69.729 68.868 0.118 0.000 1.021 444 T HN 0.083 nan 8.240 nan 0.000 0.458 445 Y N 1.170 121.390 120.300 -0.134 0.000 2.492 445 Y HA 0.686 5.236 4.550 0.000 0.000 0.346 445 Y C -0.012 175.764 175.900 -0.207 0.000 0.997 445 Y CA -1.084 56.876 58.100 -0.233 0.000 1.025 445 Y CB 2.004 40.044 38.460 -0.701 0.000 1.263 445 Y HN 0.399 nan 8.280 nan 0.000 0.454 446 M N 3.065 122.807 119.600 0.237 0.000 2.690 446 M HA 0.592 5.072 4.480 0.000 0.000 0.302 446 M C -1.621 175.010 176.300 0.552 0.000 1.234 446 M CA -1.023 54.350 55.300 0.122 0.000 0.853 446 M CB 3.440 35.941 32.600 -0.165 0.000 1.748 446 M HN 0.781 nan 8.290 nan 0.000 0.469 447 Y N -1.444 119.045 120.300 0.315 0.000 2.641 447 Y HA 0.624 5.174 4.550 0.000 0.000 0.333 447 Y C -1.764 174.268 175.900 0.219 0.000 1.174 447 Y CA -1.002 57.286 58.100 0.314 0.000 1.057 447 Y CB 1.385 40.022 38.460 0.296 0.000 1.322 447 Y HN 0.691 nan 8.280 nan 0.000 0.457 448 E N 3.228 123.761 120.200 0.555 0.000 2.279 448 E HA 0.306 4.657 4.350 0.000 0.000 0.252 448 E C -2.107 174.780 176.600 0.479 0.000 0.894 448 E CA -0.833 55.815 56.400 0.414 0.000 0.785 448 E CB 1.054 30.898 29.700 0.239 0.000 1.237 448 E HN 0.628 nan 8.360 nan 0.000 0.418 449 F N 4.341 124.548 119.950 0.428 0.000 2.438 449 F HA 0.166 4.693 4.527 0.000 0.000 0.356 449 F C -0.159 175.765 175.800 0.205 0.000 1.099 449 F CA 0.180 58.337 58.000 0.261 0.000 1.185 449 F CB 0.622 39.773 39.000 0.253 0.000 1.115 449 F HN 0.410 nan 8.300 nan 0.000 0.526 450 Q N 7.181 126.805 119.800 -0.293 0.000 3.244 450 Q HA 0.281 4.621 4.340 0.000 0.000 0.249 450 Q C -1.815 174.051 176.000 -0.224 0.000 0.951 450 Q CA -0.695 55.033 55.803 -0.126 0.000 0.740 450 Q CB 1.379 30.107 28.738 -0.017 0.000 1.334 450 Q HN 0.728 nan 8.270 nan 0.000 0.448 451 Y N 0.536 120.593 120.300 -0.404 0.000 2.597 451 Y HA 0.530 5.080 4.550 0.000 0.000 0.340 451 Y C -1.564 174.352 175.900 0.026 0.000 1.097 451 Y CA -1.158 56.788 58.100 -0.257 0.000 1.037 451 Y CB 2.208 40.397 38.460 -0.453 0.000 1.305 451 Y HN 0.441 nan 8.280 nan 0.000 0.463 452 R N 5.585 125.744 120.500 -0.568 0.000 2.352 452 R HA 0.445 4.785 4.340 0.000 0.000 0.304 452 R C -2.876 173.223 176.300 -0.335 0.000 1.104 452 R CA -2.083 53.839 56.100 -0.296 0.000 0.991 452 R CB 0.953 31.076 30.300 -0.295 0.000 1.140 452 R HN 0.419 nan 8.270 nan 0.000 0.540 453 P HA -0.015 nan 4.420 nan 0.000 0.269 453 P C 0.224 177.337 177.300 -0.312 0.000 1.209 453 P CA 0.014 63.089 63.100 -0.041 0.000 0.776 453 P CB 1.478 33.155 31.700 -0.038 0.000 0.876 454 S N 1.104 116.490 115.700 -0.523 0.000 2.515 454 S HA -0.070 4.400 4.470 0.000 0.000 0.231 454 S C 1.064 175.319 174.600 -0.575 0.000 0.987 454 S CA 0.411 58.269 58.200 -0.571 0.000 0.936 454 S CB -1.101 61.704 63.200 -0.658 0.000 0.766 454 S HN 0.408 nan 8.310 nan 0.000 0.528 455 F N 2.629 122.388 119.950 -0.318 0.000 2.676 455 F HA 0.379 4.906 4.527 0.000 0.000 0.300 455 F C 1.039 176.615 175.800 -0.374 0.000 1.160 455 F CA -0.593 57.192 58.000 -0.358 0.000 1.401 455 F CB -0.443 38.252 39.000 -0.507 0.000 1.037 455 F HN 0.040 nan 8.300 nan 0.000 0.522 456 S N -0.422 115.165 115.700 -0.188 0.000 2.632 456 S HA 0.192 4.662 4.470 0.000 0.000 0.267 456 S C 0.404 174.958 174.600 -0.077 0.000 1.276 456 S CA -0.751 57.382 58.200 -0.112 0.000 0.998 456 S CB 1.285 64.393 63.200 -0.153 0.000 0.953 456 S HN 0.253 nan 8.310 nan 0.000 0.547 457 S N 0.266 115.925 115.700 -0.068 0.000 2.576 457 S HA 0.055 4.525 4.470 0.000 0.000 0.276 457 S C 0.703 175.153 174.600 -0.249 0.000 1.339 457 S CA -0.622 57.525 58.200 -0.089 0.000 1.039 457 S CB 0.165 63.390 63.200 0.041 0.000 0.902 457 S HN 0.603 nan 8.310 nan 0.000 0.516 458 D N 3.583 123.894 120.400 -0.149 0.000 2.178 458 D HA -0.102 4.538 4.640 0.000 0.000 0.201 458 D C 1.359 177.525 176.300 -0.225 0.000 0.980 458 D CA 1.421 55.325 54.000 -0.159 0.000 0.842 458 D CB -0.119 40.632 40.800 -0.082 0.000 0.948 458 D HN 0.623 nan 8.370 nan 0.000 0.472 459 M N 0.234 119.691 119.600 -0.238 0.000 2.691 459 M HA -0.010 4.470 4.480 0.000 0.000 0.227 459 M C 0.737 176.654 176.300 -0.639 0.000 1.120 459 M CA 0.321 55.486 55.300 -0.226 0.000 1.034 459 M CB 0.068 32.708 32.600 0.066 0.000 1.675 459 M HN -0.247 nan 8.290 nan 0.000 0.514 460 K N 3.091 122.909 120.400 -0.970 0.000 2.253 460 K HA 0.268 4.588 4.320 0.000 0.000 0.277 460 K C -2.285 173.967 176.600 -0.579 0.000 1.053 460 K CA -1.840 53.669 56.287 -1.297 0.000 0.892 460 K CB 0.947 32.705 32.500 -1.238 0.000 1.102 460 K HN -0.089 nan 8.250 nan 0.000 0.469 461 P HA -0.045 nan 4.420 nan 0.000 0.261 461 P C -0.573 176.631 177.300 -0.162 0.000 1.183 461 P CA 0.221 63.208 63.100 -0.189 0.000 0.761 461 P CB 0.685 32.336 31.700 -0.081 0.000 0.785 462 K N 1.373 121.689 120.400 -0.139 0.000 2.442 462 K HA -0.111 4.209 4.320 0.000 0.000 0.199 462 K C 1.806 178.351 176.600 -0.092 0.000 1.044 462 K CA 1.811 58.023 56.287 -0.126 0.000 0.941 462 K CB -0.508 31.923 32.500 -0.114 0.000 0.759 462 K HN 0.618 nan 8.250 nan 0.000 0.472 463 T N -1.869 112.648 114.554 -0.060 0.000 3.043 463 T HA 0.019 4.369 4.350 0.000 0.000 0.263 463 T C 0.853 175.546 174.700 -0.012 0.000 1.094 463 T CA -0.100 61.982 62.100 -0.031 0.000 1.127 463 T CB -0.083 68.781 68.868 -0.005 0.000 0.905 463 T HN -0.162 nan 8.240 nan 0.000 0.490 464 V N 2.687 122.597 119.914 -0.007 0.000 2.446 464 V HA 0.344 4.464 4.120 0.000 0.000 0.276 464 V C 0.129 176.236 176.094 0.022 0.000 1.030 464 V CA -0.134 62.188 62.300 0.038 0.000 1.033 464 V CB -0.234 31.635 31.823 0.076 0.000 0.993 464 V HN 0.462 nan 8.190 nan 0.000 0.477 465 I N 3.524 124.119 120.570 0.041 0.000 2.509 465 I HA 0.622 4.792 4.170 0.000 0.000 0.293 465 I C 0.913 177.092 176.117 0.105 0.000 1.020 465 I CA -0.485 60.833 61.300 0.029 0.000 1.088 465 I CB 1.910 39.897 38.000 -0.022 0.000 1.267 465 I HN 0.770 nan 8.210 nan 0.000 0.430 466 G N 3.597 112.501 108.800 0.172 0.000 2.272 466 G HA2 -0.237 3.723 3.960 0.000 0.000 0.280 466 G HA3 -0.237 3.723 3.960 0.000 0.000 0.280 466 G C -0.291 174.763 174.900 0.257 0.000 1.067 466 G CA 0.074 45.346 45.100 0.287 0.000 0.902 466 G HN 0.729 nan 8.290 nan 0.000 0.500 467 D N -0.911 119.638 120.400 0.248 0.000 2.377 467 D HA 0.358 4.998 4.640 0.000 0.000 0.245 467 D C 0.919 177.367 176.300 0.247 0.000 1.196 467 D CA -0.530 53.615 54.000 0.242 0.000 0.962 467 D CB 0.362 41.331 40.800 0.282 0.000 1.127 467 D HN 0.358 nan 8.370 nan 0.000 0.471 468 H N -0.091 119.043 119.070 0.107 0.000 3.187 468 H HA 0.281 4.837 4.556 0.000 0.000 0.286 468 H C 1.306 176.737 175.328 0.173 0.000 0.944 468 H CA 1.774 57.857 56.048 0.058 0.000 1.429 468 H CB -0.222 29.554 29.762 0.023 0.000 1.483 468 H HN 0.584 nan 8.280 nan 0.000 0.555 469 G N 4.319 112.945 108.800 -0.291 0.000 2.195 469 G HA2 -0.327 3.633 3.960 0.000 0.000 0.246 469 G HA3 -0.327 3.633 3.960 0.000 0.000 0.246 469 G C 1.294 176.134 174.900 -0.100 0.000 0.984 469 G CA 0.383 45.249 45.100 -0.389 0.000 0.633 469 G HN 0.639 nan 8.290 nan 0.000 0.525 470 D N 1.106 121.586 120.400 0.132 0.000 2.158 470 D HA -0.114 4.526 4.640 0.000 0.000 0.197 470 D C 2.399 178.739 176.300 0.066 0.000 0.995 470 D CA 1.525 55.711 54.000 0.311 0.000 0.846 470 D CB -0.073 40.969 40.800 0.403 0.000 0.941 470 D HN 0.740 nan 8.370 nan 0.000 0.456 471 E N 1.422 121.311 120.200 -0.518 0.000 2.409 471 E HA -0.140 4.210 4.350 0.000 0.000 0.198 471 E C 2.279 178.578 176.600 -0.502 0.000 1.024 471 E CA 0.189 55.899 56.400 -1.151 0.000 0.861 471 E CB -0.705 28.246 29.700 -1.247 0.000 0.788 471 E HN 0.354 nan 8.360 nan 0.000 0.521 472 L N -0.263 120.775 121.223 -0.308 0.000 2.042 472 L HA -0.153 4.187 4.340 0.000 0.000 0.210 472 L C 2.481 179.177 176.870 -0.290 0.000 1.076 472 L CA 1.547 56.200 54.840 -0.311 0.000 0.749 472 L CB -0.649 41.111 42.059 -0.499 0.000 0.893 472 L HN 0.026 nan 8.230 nan 0.000 0.432 473 F N -0.452 119.442 119.950 -0.093 0.000 2.216 473 F HA -0.173 4.354 4.527 0.000 0.000 0.300 473 F C 2.667 178.429 175.800 -0.063 0.000 1.085 473 F CA 1.212 59.176 58.000 -0.059 0.000 1.326 473 F CB -0.690 38.359 39.000 0.082 0.000 1.027 473 F HN -0.032 nan 8.300 nan 0.000 0.497 474 S N -0.357 115.375 115.700 0.053 0.000 2.395 474 S HA -0.060 4.410 4.470 0.000 0.000 0.225 474 S C 2.239 176.685 174.600 -0.256 0.000 1.027 474 S CA 0.780 58.944 58.200 -0.060 0.000 0.965 474 S CB -0.300 62.868 63.200 -0.054 0.000 0.812 474 S HN 0.128 nan 8.310 nan 0.000 0.482 475 V N 0.465 120.120 119.914 -0.432 0.000 2.379 475 V HA -0.017 4.103 4.120 0.000 0.000 0.245 475 V C 1.300 177.035 176.094 -0.598 0.000 1.044 475 V CA 1.484 63.373 62.300 -0.686 0.000 1.036 475 V CB -0.574 30.759 31.823 -0.817 0.000 0.664 475 V HN 0.468 nan 8.190 nan 0.000 0.453 476 F N 0.467 120.237 119.950 -0.300 0.000 2.660 476 F HA 0.448 4.976 4.527 0.000 0.000 0.302 476 F C 1.644 177.345 175.800 -0.165 0.000 1.103 476 F CA 0.462 58.306 58.000 -0.260 0.000 1.340 476 F CB -0.144 38.648 39.000 -0.346 0.000 1.048 476 F HN 0.251 nan 8.300 nan 0.000 0.551 477 G N 1.123 109.933 108.800 0.015 0.000 2.371 477 G HA2 -0.293 3.667 3.960 0.000 0.000 0.299 477 G HA3 -0.293 3.667 3.960 0.000 0.000 0.299 477 G C 1.207 176.196 174.900 0.148 0.000 1.014 477 G CA 0.295 45.488 45.100 0.155 0.000 1.097 477 G HN 0.571 nan 8.290 nan 0.000 0.512 478 A N 0.062 122.881 122.820 -0.003 0.000 1.978 478 A HA 0.093 4.413 4.320 0.000 0.000 0.220 478 A C 0.692 178.139 177.584 -0.228 0.000 1.170 478 A CA 2.105 54.003 52.037 -0.232 0.000 0.636 478 A CB -0.672 18.038 19.000 -0.483 0.000 0.810 478 A HN 0.497 nan 8.150 nan 0.000 0.448 479 P HA -0.123 nan 4.420 nan 0.000 0.219 479 P C 0.464 177.549 177.300 -0.358 0.000 1.146 479 P CA 0.933 63.954 63.100 -0.131 0.000 0.808 479 P CB -0.136 31.346 31.700 -0.363 0.000 0.779 480 F N -2.313 117.668 119.950 0.051 0.000 2.660 480 F HA 0.236 4.763 4.527 0.000 0.000 0.302 480 F C 1.577 177.421 175.800 0.074 0.000 1.103 480 F CA 0.415 58.472 58.000 0.095 0.000 1.340 480 F CB -0.308 38.788 39.000 0.160 0.000 1.048 480 F HN -0.157 nan 8.300 nan 0.000 0.551 481 L N -1.929 119.368 121.223 0.124 0.000 2.953 481 L HA 0.234 4.574 4.340 0.000 0.000 0.258 481 L C 0.854 177.738 176.870 0.023 0.000 1.100 481 L CA 0.089 54.971 54.840 0.071 0.000 0.971 481 L CB 0.329 42.404 42.059 0.026 0.000 1.474 481 L HN -0.191 nan 8.230 nan 0.000 0.540 482 K N 0.664 121.058 120.400 -0.010 0.000 2.502 482 K HA 0.535 4.855 4.320 0.000 0.000 0.252 482 K C -0.661 176.024 176.600 0.141 0.000 1.043 482 K CA -0.620 55.691 56.287 0.041 0.000 0.999 482 K CB 1.259 33.718 32.500 -0.067 0.000 1.343 482 K HN -0.097 nan 8.250 nan 0.000 0.513 483 E N -1.257 119.061 120.200 0.198 0.000 2.277 483 E HA 0.388 4.738 4.350 0.000 0.000 0.266 483 E C -0.126 176.543 176.600 0.114 0.000 0.901 483 E CA -0.431 56.048 56.400 0.132 0.000 0.782 483 E CB 1.850 31.596 29.700 0.076 0.000 1.228 483 E HN 0.790 nan 8.360 nan 0.000 0.424 484 G N 0.937 109.754 108.800 0.029 0.000 2.176 484 G HA2 -0.263 3.697 3.960 0.000 0.000 0.232 484 G HA3 -0.263 3.697 3.960 0.000 0.000 0.232 484 G C 0.290 175.115 174.900 -0.126 0.000 0.986 484 G CA -0.180 44.888 45.100 -0.053 0.000 0.643 484 G HN 0.742 nan 8.290 nan 0.000 0.522 485 A N 1.030 123.798 122.820 -0.086 0.000 2.491 485 A HA 0.638 4.958 4.320 0.000 0.000 0.261 485 A C 1.132 178.657 177.584 -0.099 0.000 1.101 485 A CA 1.020 52.979 52.037 -0.130 0.000 0.772 485 A CB 0.057 19.062 19.000 0.007 0.000 1.043 485 A HN 1.988 nan 8.150 nan 0.000 0.501 486 S N 1.832 117.471 115.700 -0.101 0.000 2.589 486 S HA 0.122 4.592 4.470 0.000 0.000 0.265 486 S C 0.957 175.527 174.600 -0.051 0.000 1.342 486 S CA 0.398 58.559 58.200 -0.064 0.000 1.005 486 S CB 0.722 63.892 63.200 -0.051 0.000 0.909 486 S HN 0.755 nan 8.310 nan 0.000 0.555 487 E N 0.626 120.804 120.200 -0.036 0.000 2.118 487 E HA -0.202 4.148 4.350 0.000 0.000 0.195 487 E C 1.875 178.459 176.600 -0.027 0.000 0.992 487 E CA 1.911 58.294 56.400 -0.028 0.000 0.804 487 E CB -0.351 29.340 29.700 -0.014 0.000 0.741 487 E HN 0.837 nan 8.360 nan 0.000 0.458 488 E N 0.210 120.402 120.200 -0.015 0.000 2.023 488 E HA -0.295 4.055 4.350 0.000 0.000 0.196 488 E C 2.070 178.644 176.600 -0.043 0.000 1.003 488 E CA 1.581 57.977 56.400 -0.007 0.000 0.809 488 E CB -0.197 29.529 29.700 0.043 0.000 0.755 488 E HN 0.398 nan 8.360 nan 0.000 0.449 489 E N 0.196 120.385 120.200 -0.018 0.000 2.058 489 E HA -0.204 4.146 4.350 0.000 0.000 0.194 489 E C 2.270 178.816 176.600 -0.090 0.000 0.997 489 E CA 1.380 57.744 56.400 -0.060 0.000 0.801 489 E CB -0.144 29.566 29.700 0.018 0.000 0.746 489 E HN 0.353 nan 8.360 nan 0.000 0.450 490 I N 0.638 121.146 120.570 -0.103 0.000 2.194 490 I HA -0.315 3.855 4.170 0.000 0.000 0.246 490 I C 2.527 178.619 176.117 -0.042 0.000 1.093 490 I CA 1.228 62.422 61.300 -0.177 0.000 1.355 490 I CB -0.273 37.612 38.000 -0.191 0.000 1.046 490 I HN 0.111 nan 8.210 nan 0.000 0.413 491 R N -0.052 120.433 120.500 -0.026 0.000 2.161 491 R HA -0.052 4.288 4.340 0.000 0.000 0.213 491 R C 2.201 178.475 176.300 -0.043 0.000 1.055 491 R CA 0.678 56.777 56.100 -0.001 0.000 0.996 491 R CB -0.357 29.938 30.300 -0.009 0.000 0.901 491 R HN 0.266 nan 8.270 nan 0.000 0.456 492 L N 0.882 122.043 121.223 -0.103 0.000 2.046 492 L HA -0.106 4.234 4.340 0.000 0.000 0.208 492 L C 2.320 179.131 176.870 -0.099 0.000 1.077 492 L CA 1.862 56.606 54.840 -0.160 0.000 0.747 492 L CB -0.800 41.038 42.059 -0.368 0.000 0.896 492 L HN -0.002 nan 8.230 nan 0.000 0.432 493 S N -0.683 114.985 115.700 -0.052 0.000 2.348 493 S HA -0.221 4.249 4.470 0.000 0.000 0.221 493 S C 2.091 176.685 174.600 -0.010 0.000 1.033 493 S CA 1.500 59.698 58.200 -0.004 0.000 1.010 493 S CB -0.252 63.012 63.200 0.107 0.000 0.891 493 S HN 0.552 nan 8.310 nan 0.000 0.442 494 K N 0.355 120.791 120.400 0.059 0.000 2.034 494 K HA -0.190 4.130 4.320 0.000 0.000 0.214 494 K C 2.341 178.895 176.600 -0.076 0.000 1.051 494 K CA 1.948 58.229 56.287 -0.009 0.000 0.931 494 K CB -0.392 32.147 32.500 0.063 0.000 0.715 494 K HN 0.456 nan 8.250 nan 0.000 0.446 495 M N 0.774 120.318 119.600 -0.092 0.000 2.073 495 M HA -0.234 4.246 4.480 0.000 0.000 0.258 495 M C 2.111 178.299 176.300 -0.187 0.000 1.070 495 M CA 1.742 56.931 55.300 -0.185 0.000 1.103 495 M CB -0.107 32.406 32.600 -0.146 0.000 1.321 495 M HN -0.017 nan 8.290 nan 0.000 0.405 496 V N 0.652 120.514 119.914 -0.086 0.000 2.287 496 V HA -0.345 3.776 4.120 0.000 0.000 0.248 496 V C 2.347 178.394 176.094 -0.079 0.000 1.053 496 V CA 2.210 64.469 62.300 -0.069 0.000 1.027 496 V CB -0.704 30.916 31.823 -0.338 0.000 0.646 496 V HN 0.572 nan 8.190 nan 0.000 0.447 497 M N -0.987 118.523 119.600 -0.150 0.000 2.149 497 M HA -0.188 4.293 4.480 0.000 0.000 0.261 497 M C 2.371 178.704 176.300 0.055 0.000 1.064 497 M CA 1.672 56.915 55.300 -0.094 0.000 1.102 497 M CB -0.514 32.005 32.600 -0.135 0.000 1.369 497 M HN 0.192 nan 8.290 nan 0.000 0.408 498 K N 0.458 120.863 120.400 0.008 0.000 1.987 498 K HA -0.134 4.186 4.320 0.000 0.000 0.216 498 K C 1.823 178.531 176.600 0.179 0.000 1.051 498 K CA 1.844 58.140 56.287 0.015 0.000 0.942 498 K CB -0.794 31.618 32.500 -0.147 0.000 0.722 498 K HN 0.323 nan 8.250 nan 0.000 0.444 499 F N -0.120 119.977 119.950 0.244 0.000 2.027 499 F HA -0.327 4.200 4.527 0.000 0.000 0.297 499 F C 2.684 178.719 175.800 0.391 0.000 1.129 499 F CA 1.105 59.328 58.000 0.372 0.000 1.195 499 F CB -0.456 38.927 39.000 0.637 0.000 0.960 499 F HN 0.292 nan 8.300 nan 0.000 0.485 500 W N 0.145 121.586 121.300 0.236 0.000 2.315 500 W HA -0.311 4.349 4.660 0.000 0.000 0.323 500 W C 2.686 179.242 176.519 0.062 0.000 1.233 500 W CA 0.915 58.315 57.345 0.092 0.000 1.267 500 W CB -0.825 28.622 29.460 -0.021 0.000 1.160 500 W HN 0.064 nan 8.180 nan 0.000 0.474 501 A N 0.617 123.597 122.820 0.266 0.000 1.908 501 A HA -0.255 4.065 4.320 0.000 0.000 0.218 501 A C 1.734 179.388 177.584 0.117 0.000 1.181 501 A CA 2.063 54.176 52.037 0.126 0.000 0.627 501 A CB -1.079 17.973 19.000 0.087 0.000 0.818 501 A HN 0.300 nan 8.150 nan 0.000 0.445 502 N N -0.879 117.919 118.700 0.163 0.000 2.043 502 N HA -0.160 4.581 4.740 0.000 0.000 0.193 502 N C 1.451 177.027 175.510 0.111 0.000 1.037 502 N CA 1.613 54.742 53.050 0.133 0.000 0.851 502 N CB -0.707 37.886 38.487 0.177 0.000 1.027 502 N HN 0.502 nan 8.380 nan 0.000 0.422 503 F N 1.831 121.751 119.950 -0.050 0.000 2.091 503 F HA -0.181 4.346 4.527 0.000 0.000 0.299 503 F C 2.209 177.959 175.800 -0.084 0.000 1.103 503 F CA 1.494 59.406 58.000 -0.146 0.000 1.228 503 F CB -0.673 38.157 39.000 -0.283 0.000 0.984 503 F HN 0.061 nan 8.300 nan 0.000 0.477 504 A N 0.412 123.203 122.820 -0.049 0.000 1.908 504 A HA -0.219 4.101 4.320 0.000 0.000 0.218 504 A C 2.393 179.903 177.584 -0.124 0.000 1.181 504 A CA 1.937 53.894 52.037 -0.133 0.000 0.627 504 A CB -0.719 18.248 19.000 -0.055 0.000 0.818 504 A HN 0.484 nan 8.150 nan 0.000 0.445 505 R N -0.761 119.702 120.500 -0.061 0.000 2.062 505 R HA -0.018 4.322 4.340 0.000 0.000 0.229 505 R C 0.584 176.840 176.300 -0.073 0.000 1.128 505 R CA 1.447 57.520 56.100 -0.044 0.000 0.960 505 R CB -0.132 30.167 30.300 -0.001 0.000 0.855 505 R HN 0.559 nan 8.270 nan 0.000 0.432 506 N N -1.222 117.429 118.700 -0.082 0.000 2.197 506 N HA 0.089 4.829 4.740 0.000 0.000 0.228 506 N C 0.314 175.755 175.510 -0.115 0.000 1.212 506 N CA 0.694 53.700 53.050 -0.074 0.000 0.883 506 N CB 1.912 40.392 38.487 -0.011 0.000 1.107 506 N HN 0.318 nan 8.380 nan 0.000 0.519 507 G N 1.874 110.493 108.800 -0.303 0.000 2.198 507 G HA2 -0.275 3.685 3.960 0.000 0.000 0.260 507 G HA3 -0.275 3.685 3.960 0.000 0.000 0.260 507 G C -0.165 174.783 174.900 0.079 0.000 1.025 507 G CA 0.259 45.117 45.100 -0.402 0.000 0.769 507 G HN 0.448 nan 8.290 nan 0.000 0.507 508 N N -0.615 118.135 118.700 0.083 0.000 2.572 508 N HA 0.317 5.057 4.740 0.000 0.000 0.287 508 N C -1.558 173.902 175.510 -0.083 0.000 1.136 508 N CA -1.184 51.871 53.050 0.008 0.000 0.900 508 N CB 2.041 40.577 38.487 0.081 0.000 1.484 508 N HN -0.060 nan 8.380 nan 0.000 0.526 509 P HA -0.097 nan 4.420 nan 0.000 0.226 509 P C -0.134 177.312 177.300 0.243 0.000 1.146 509 P CA 0.629 63.642 63.100 -0.146 0.000 0.773 509 P CB 0.322 31.553 31.700 -0.780 0.000 0.772 510 N N 0.597 119.366 118.700 0.115 0.000 2.444 510 N HA 0.339 5.079 4.740 0.000 0.000 0.255 510 N C 0.833 176.464 175.510 0.201 0.000 1.255 510 N CA 0.818 54.011 53.050 0.240 0.000 0.933 510 N CB 0.726 39.320 38.487 0.178 0.000 1.143 510 N HN 0.101 nan 8.380 nan 0.000 0.453 511 G N -0.018 108.896 108.800 0.190 0.000 2.616 511 G HA2 0.128 4.088 3.960 0.000 0.000 0.294 511 G HA3 0.128 4.088 3.960 0.000 0.000 0.294 511 G C -1.321 173.635 174.900 0.094 0.000 1.489 511 G CA -0.684 44.486 45.100 0.117 0.000 0.836 511 G HN 0.411 nan 8.290 nan 0.000 0.527 512 E N -0.350 119.892 120.200 0.071 0.000 2.415 512 E HA 0.379 4.729 4.350 0.000 0.000 0.263 512 E C 1.266 177.885 176.600 0.032 0.000 0.995 512 E CA 1.540 57.975 56.400 0.057 0.000 0.915 512 E CB 0.709 30.437 29.700 0.046 0.000 0.951 512 E HN 1.631 nan 8.360 nan 0.000 0.449 513 G N 2.978 111.797 108.800 0.032 0.000 2.175 513 G HA2 -0.252 3.708 3.960 0.000 0.000 0.244 513 G HA3 -0.252 3.708 3.960 0.000 0.000 0.244 513 G C -0.087 174.803 174.900 -0.017 0.000 0.982 513 G CA -0.251 44.853 45.100 0.008 0.000 0.641 513 G HN 0.394 nan 8.290 nan 0.000 0.527 514 L N 0.520 121.743 121.223 0.000 0.000 2.354 514 L HA 0.585 4.925 4.340 0.000 0.000 0.269 514 L C -1.930 175.014 176.870 0.124 0.000 1.005 514 L CA -2.413 52.402 54.840 -0.042 0.000 0.819 514 L CB 1.872 43.812 42.059 -0.199 0.000 1.311 514 L HN -0.130 nan 8.230 nan 0.000 0.423 515 P HA 0.002 nan 4.420 nan 0.000 0.269 515 P C -1.067 176.448 177.300 0.358 0.000 1.217 515 P CA -0.115 63.129 63.100 0.240 0.000 0.783 515 P CB 0.273 32.100 31.700 0.211 0.000 0.898 516 H N 1.312 120.507 119.070 0.208 0.000 2.690 516 H HA 0.197 4.753 4.556 0.000 0.000 0.314 516 H C -1.011 174.472 175.328 0.260 0.000 1.069 516 H CA -0.099 56.092 56.048 0.238 0.000 1.436 516 H CB 0.244 30.106 29.762 0.167 0.000 1.462 516 H HN 0.351 nan 8.280 nan 0.000 0.511 517 W N 9.894 130.902 121.300 -0.486 0.000 2.283 517 W HA 0.282 4.942 4.660 0.000 0.000 0.317 517 W C -2.649 173.663 176.519 -0.346 0.000 1.042 517 W CA -3.182 53.949 57.345 -0.357 0.000 1.348 517 W CB 0.668 29.869 29.460 -0.431 0.000 1.216 517 W HN 0.587 nan 8.180 nan 0.000 0.404 518 P HA -0.021 nan 4.420 nan 0.000 0.269 518 P C -0.188 177.364 177.300 0.419 0.000 1.209 518 P CA 0.355 63.659 63.100 0.340 0.000 0.776 518 P CB 1.251 33.127 31.700 0.293 0.000 0.876 519 E N 1.974 122.339 120.200 0.274 0.000 2.354 519 E HA 0.026 4.376 4.350 0.000 0.000 0.269 519 E C -0.973 175.654 176.600 0.044 0.000 1.036 519 E CA -0.634 55.773 56.400 0.011 0.000 0.876 519 E CB 0.325 29.969 29.700 -0.093 0.000 1.009 519 E HN 0.390 nan 8.360 nan 0.000 0.416 520 Y N 5.676 125.877 120.300 -0.164 0.000 2.539 520 Y HA 0.052 4.602 4.550 0.000 0.000 0.352 520 Y C -0.136 175.729 175.900 -0.058 0.000 1.004 520 Y CA 0.072 58.151 58.100 -0.035 0.000 1.278 520 Y CB -0.196 38.248 38.460 -0.026 0.000 1.136 520 Y HN 0.541 nan 8.280 nan 0.000 0.528 521 N N 1.377 119.925 118.700 -0.253 0.000 3.492 521 N HA 0.158 4.898 4.740 0.000 0.000 0.352 521 N C 0.531 175.874 175.510 -0.278 0.000 1.517 521 N CA -0.379 52.560 53.050 -0.184 0.000 0.629 521 N CB 0.220 38.654 38.487 -0.088 0.000 2.162 521 N HN 0.275 nan 8.380 nan 0.000 0.598 522 Q N 0.025 119.735 119.800 -0.151 0.000 2.124 522 Q HA 0.008 4.348 4.340 0.000 0.000 0.202 522 Q C 1.300 177.216 176.000 -0.140 0.000 0.977 522 Q CA 1.523 57.251 55.803 -0.126 0.000 0.850 522 Q CB -0.527 28.174 28.738 -0.062 0.000 0.901 522 Q HN 0.528 nan 8.270 nan 0.000 0.429 523 K N 0.995 121.325 120.400 -0.117 0.000 2.362 523 K HA -0.085 4.235 4.320 0.000 0.000 0.200 523 K C 0.101 176.631 176.600 -0.117 0.000 1.046 523 K CA 0.263 56.504 56.287 -0.078 0.000 0.952 523 K CB 0.082 32.564 32.500 -0.030 0.000 0.753 523 K HN 0.249 nan 8.250 nan 0.000 0.466 524 E N -0.647 119.368 120.200 -0.310 0.000 2.320 524 E HA -0.164 4.186 4.350 0.000 0.000 0.234 524 E C -0.130 176.453 176.600 -0.028 0.000 1.183 524 E CA 0.216 56.301 56.400 -0.524 0.000 0.713 524 E CB -1.895 27.634 29.700 -0.285 0.000 1.226 524 E HN 0.481 nan 8.360 nan 0.000 0.382 525 G N 0.965 109.788 108.800 0.039 0.000 2.380 525 G HA2 0.388 4.348 3.960 0.000 0.000 0.262 525 G HA3 0.388 4.348 3.960 0.000 0.000 0.262 525 G C -0.295 174.858 174.900 0.422 0.000 1.243 525 G CA -0.058 45.157 45.100 0.191 0.000 0.865 525 G HN 0.294 nan 8.290 nan 0.000 0.513 526 Y N 0.798 121.263 120.300 0.275 0.000 2.634 526 Y HA 0.769 5.319 4.550 0.000 0.000 0.340 526 Y C -1.286 174.685 175.900 0.118 0.000 1.058 526 Y CA -2.044 56.253 58.100 0.328 0.000 1.081 526 Y CB 1.822 40.454 38.460 0.287 0.000 1.295 526 Y HN 0.504 nan 8.280 nan 0.000 0.487 527 L N 2.362 123.603 121.223 0.030 0.000 2.313 527 L HA 0.487 4.827 4.340 0.000 0.000 0.283 527 L C -1.023 175.753 176.870 -0.158 0.000 1.013 527 L CA -0.614 53.942 54.840 -0.474 0.000 0.816 527 L CB 1.789 42.919 42.059 -1.550 0.000 1.236 527 L HN 0.800 nan 8.230 nan 0.000 0.419 528 Q N 5.621 125.316 119.800 -0.175 0.000 2.274 528 Q HA 0.543 4.883 4.340 0.000 0.000 0.256 528 Q C -1.042 174.903 176.000 -0.092 0.000 0.927 528 Q CA -0.100 55.703 55.803 0.000 0.000 0.939 528 Q CB 1.872 30.608 28.738 -0.002 0.000 1.201 528 Q HN 0.602 nan 8.270 nan 0.000 0.426 529 I N 1.629 122.161 120.570 -0.063 0.000 2.441 529 I HA 0.746 4.916 4.170 0.000 0.000 0.295 529 I C 0.546 176.493 176.117 -0.285 0.000 0.994 529 I CA -0.419 60.799 61.300 -0.138 0.000 1.144 529 I CB 1.815 39.780 38.000 -0.057 0.000 1.314 529 I HN 0.812 nan 8.210 nan 0.000 0.445 530 G N 3.009 111.664 108.800 -0.242 0.000 2.452 530 G HA2 0.326 4.286 3.960 0.000 0.000 0.224 530 G HA3 0.326 4.286 3.960 0.000 0.000 0.224 530 G C 0.348 175.193 174.900 -0.093 0.000 1.208 530 G CA 0.109 45.075 45.100 -0.224 0.000 0.946 530 G HN 0.589 nan 8.290 nan 0.000 0.481 531 A N -0.178 122.687 122.820 0.074 0.000 1.892 531 A HA 0.045 4.365 4.320 0.000 0.000 0.218 531 A C 1.228 178.813 177.584 0.002 0.000 1.188 531 A CA 2.579 54.662 52.037 0.078 0.000 0.631 531 A CB -0.538 18.516 19.000 0.090 0.000 0.822 531 A HN 1.212 nan 8.150 nan 0.000 0.447 532 N N -0.205 118.488 118.700 -0.011 0.000 2.518 532 N HA 0.288 5.028 4.740 0.000 0.000 0.254 532 N C -1.496 173.993 175.510 -0.035 0.000 0.979 532 N CA -0.129 52.910 53.050 -0.018 0.000 0.930 532 N CB 0.885 39.365 38.487 -0.011 0.000 1.152 532 N HN 0.015 nan 8.380 nan 0.000 0.505 533 T N 4.149 118.682 114.554 -0.034 0.000 2.747 533 T HA 0.267 4.617 4.350 0.000 0.000 0.301 533 T C -0.353 174.323 174.700 -0.039 0.000 0.952 533 T CA -0.354 61.720 62.100 -0.043 0.000 0.983 533 T CB 0.054 68.921 68.868 -0.002 0.000 0.930 533 T HN 0.601 nan 8.240 nan 0.000 0.494 534 Q N 1.777 121.532 119.800 -0.075 0.000 2.421 534 Q HA 0.776 5.116 4.340 0.000 0.000 0.280 534 Q C -1.227 174.685 176.000 -0.147 0.000 1.085 534 Q CA -1.354 54.404 55.803 -0.074 0.000 0.807 534 Q CB 1.950 30.658 28.738 -0.050 0.000 1.405 534 Q HN 0.512 nan 8.270 nan 0.000 0.419 535 A N 1.099 123.844 122.820 -0.126 0.000 2.371 535 A HA 0.768 5.088 4.320 0.000 0.000 0.257 535 A C -0.443 176.996 177.584 -0.241 0.000 1.089 535 A CA 0.449 52.374 52.037 -0.187 0.000 0.794 535 A CB 0.562 19.532 19.000 -0.049 0.000 1.029 535 A HN 0.999 nan 8.150 nan 0.000 0.488 536 A N 1.040 123.591 122.820 -0.448 0.000 2.566 536 A HA 0.823 5.144 4.320 0.000 0.000 0.291 536 A C -0.724 176.639 177.584 -0.369 0.000 1.278 536 A CA -0.561 51.201 52.037 -0.458 0.000 0.711 536 A CB 0.989 19.603 19.000 -0.644 0.000 1.332 536 A HN 0.850 nan 8.150 nan 0.000 0.478 537 Q N -0.590 119.158 119.800 -0.087 0.000 2.534 537 Q HA 0.520 4.860 4.340 0.000 0.000 0.290 537 Q C -1.641 174.590 176.000 0.385 0.000 0.991 537 Q CA -1.060 54.862 55.803 0.197 0.000 0.783 537 Q CB 2.029 30.820 28.738 0.090 0.000 1.470 537 Q HN 0.620 nan 8.270 nan 0.000 0.406 538 K N 1.108 121.701 120.400 0.320 0.000 4.387 538 K HA -0.206 4.114 4.320 0.000 0.000 0.290 538 K C -1.030 175.698 176.600 0.212 0.000 0.936 538 K CA -0.011 56.410 56.287 0.224 0.000 0.890 538 K CB -1.052 31.533 32.500 0.141 0.000 1.617 538 K HN 0.392 nan 8.250 nan 0.000 0.437 539 L N 2.809 124.089 121.223 0.095 0.000 2.319 539 L HA 0.125 4.465 4.340 0.000 0.000 0.280 539 L C 0.623 177.459 176.870 -0.056 0.000 1.099 539 L CA 0.356 55.062 54.840 -0.223 0.000 0.828 539 L CB 0.625 42.295 42.059 -0.649 0.000 1.150 539 L HN 0.346 nan 8.230 nan 0.000 0.442 540 K N 2.750 123.136 120.400 -0.023 0.000 2.960 540 K HA -0.297 4.023 4.320 0.000 0.000 0.259 540 K C 0.943 177.594 176.600 0.084 0.000 1.025 540 K CA 1.151 57.465 56.287 0.045 0.000 0.756 540 K CB -1.210 31.314 32.500 0.040 0.000 1.221 540 K HN 0.895 nan 8.250 nan 0.000 0.483 541 D N 1.040 121.489 120.400 0.082 0.000 2.092 541 D HA -0.169 4.471 4.640 0.000 0.000 0.193 541 D C 1.785 178.143 176.300 0.098 0.000 0.994 541 D CA 1.657 55.712 54.000 0.093 0.000 0.828 541 D CB 0.216 41.068 40.800 0.087 0.000 0.963 541 D HN 0.544 nan 8.370 nan 0.000 0.450 542 K N 0.451 120.902 120.400 0.085 0.000 2.009 542 K HA -0.213 4.107 4.320 0.000 0.000 0.210 542 K C 2.045 178.729 176.600 0.140 0.000 1.049 542 K CA 1.604 57.939 56.287 0.079 0.000 0.929 542 K CB 0.009 32.528 32.500 0.033 0.000 0.714 542 K HN -0.098 nan 8.250 nan 0.000 0.440 543 E N 0.508 120.815 120.200 0.178 0.000 2.065 543 E HA -0.202 4.148 4.350 0.000 0.000 0.201 543 E C 1.971 178.831 176.600 0.433 0.000 1.016 543 E CA 1.695 58.307 56.400 0.353 0.000 0.818 543 E CB -0.434 29.466 29.700 0.333 0.000 0.749 543 E HN 0.144 nan 8.360 nan 0.000 0.453 544 V N 0.936 121.007 119.914 0.262 0.000 2.332 544 V HA -0.318 3.802 4.120 0.000 0.000 0.248 544 V C 2.172 178.376 176.094 0.184 0.000 1.055 544 V CA 1.863 64.290 62.300 0.211 0.000 1.038 544 V CB -1.002 30.899 31.823 0.131 0.000 0.651 544 V HN 0.377 nan 8.190 nan 0.000 0.450 545 A N 0.044 122.954 122.820 0.150 0.000 1.841 545 A HA -0.263 4.057 4.320 0.000 0.000 0.216 545 A C 2.124 179.745 177.584 0.062 0.000 1.199 545 A CA 2.149 54.244 52.037 0.097 0.000 0.621 545 A CB -0.900 18.153 19.000 0.088 0.000 0.835 545 A HN 0.509 nan 8.150 nan 0.000 0.445 546 F N -0.562 119.351 119.950 -0.063 0.000 2.087 546 F HA -0.263 4.264 4.527 0.000 0.000 0.299 546 F C 1.961 177.570 175.800 -0.319 0.000 1.100 546 F CA 2.001 59.865 58.000 -0.227 0.000 1.226 546 F CB -0.670 38.116 39.000 -0.356 0.000 0.983 546 F HN 0.409 nan 8.300 nan 0.000 0.479 547 W N 0.169 121.265 121.300 -0.341 0.000 2.436 547 W HA -0.068 4.592 4.660 0.000 0.000 0.284 547 W C 2.576 178.829 176.519 -0.444 0.000 1.225 547 W CA 1.473 58.461 57.345 -0.596 0.000 1.271 547 W CB -1.127 28.080 29.460 -0.421 0.000 1.114 547 W HN -0.170 nan 8.180 nan 0.000 0.559 548 T N 0.747 115.302 114.554 0.002 0.000 2.803 548 T HA -0.210 4.140 4.350 0.000 0.000 0.269 548 T C 1.324 176.019 174.700 -0.007 0.000 1.052 548 T CA 1.766 63.893 62.100 0.044 0.000 1.136 548 T CB -0.327 68.573 68.868 0.053 0.000 0.864 548 T HN 0.100 nan 8.240 nan 0.000 0.467 549 N N 1.022 119.646 118.700 -0.126 0.000 2.176 549 N HA 0.071 4.811 4.740 0.000 0.000 0.187 549 N C 1.652 177.060 175.510 -0.169 0.000 1.043 549 N CA 0.382 53.351 53.050 -0.135 0.000 0.851 549 N CB -1.010 37.378 38.487 -0.164 0.000 1.018 549 N HN 0.136 nan 8.380 nan 0.000 0.436 550 L N 0.712 121.687 121.223 -0.412 0.000 2.064 550 L HA -0.131 4.209 4.340 0.000 0.000 0.216 550 L C 1.839 178.715 176.870 0.009 0.000 1.077 550 L CA 1.664 56.291 54.840 -0.355 0.000 0.766 550 L CB -0.838 40.754 42.059 -0.779 0.000 0.890 550 L HN 0.218 nan 8.230 nan 0.000 0.435 551 F N -1.009 118.917 119.950 -0.041 0.000 2.293 551 F HA -0.121 4.406 4.527 0.000 0.000 0.300 551 F C 2.252 178.054 175.800 0.002 0.000 1.086 551 F CA 0.203 58.217 58.000 0.023 0.000 1.375 551 F CB -0.277 38.755 39.000 0.053 0.000 1.045 551 F HN 0.259 nan 8.300 nan 0.000 0.516 552 A N 0.325 123.248 122.820 0.172 0.000 2.239 552 A HA 0.021 4.341 4.320 0.000 0.000 0.209 552 A C 0.676 178.297 177.584 0.061 0.000 1.171 552 A CA 0.273 52.363 52.037 0.088 0.000 0.768 552 A CB -0.523 18.507 19.000 0.050 0.000 0.790 552 A HN 0.342 nan 8.150 nan 0.000 0.478 553 K N 0.000 120.446 120.400 0.077 0.000 2.780 553 K HA 0.000 4.320 4.320 0.000 0.000 0.191 553 K CA 0.000 56.319 56.287 0.053 0.000 0.838 553 K CB 0.000 32.528 32.500 0.046 0.000 1.064 553 K HN 0.000 nan 8.250 nan 0.000 0.543