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 1yaj_1_C 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 0.000 174.678 174.600 0.130 0.000 1.055 21 S CA 0.000 58.261 58.200 0.101 0.000 1.107 21 S CB 0.000 63.244 63.200 0.074 0.000 0.593 22 S N 4.057 119.832 115.700 0.126 0.000 2.548 22 S HA 0.633 5.109 4.470 0.010 0.000 0.277 22 S C -2.602 172.048 174.600 0.083 0.000 1.315 22 S CA -0.509 57.745 58.200 0.089 0.000 1.050 22 S CB 0.522 63.763 63.200 0.069 0.000 0.918 22 S HN 0.469 nan 8.310 nan 0.000 0.497 23 P HA 0.112 nan 4.420 nan 0.000 0.264 23 P C -2.516 174.676 177.300 -0.181 0.000 1.179 23 P CA -0.719 62.304 63.100 -0.129 0.000 0.763 23 P CB -0.394 31.243 31.700 -0.105 0.000 0.806 24 P HA 0.018 nan 4.420 nan 0.000 0.265 24 P C -0.774 176.531 177.300 0.007 0.000 1.193 24 P CA 0.474 63.394 63.100 -0.301 0.000 0.765 24 P CB 0.395 31.755 31.700 -0.566 0.000 0.823 25 V N 5.080 125.031 119.914 0.061 0.000 2.327 25 V HA 0.145 4.270 4.120 0.010 0.000 0.272 25 V C 0.074 176.192 176.094 0.040 0.000 1.019 25 V CA -0.557 61.797 62.300 0.090 0.000 0.814 25 V CB 1.410 33.272 31.823 0.065 0.000 1.040 25 V HN 0.226 nan 8.190 nan 0.000 0.440 26 V N 2.783 122.694 119.914 -0.006 0.000 2.509 26 V HA 0.403 4.529 4.120 0.010 0.000 0.284 26 V C -0.188 175.820 176.094 -0.144 0.000 1.047 26 V CA -0.508 61.644 62.300 -0.246 0.000 0.952 26 V CB 1.877 33.209 31.823 -0.818 0.000 0.988 26 V HN 0.753 nan 8.190 nan 0.000 0.469 27 D N 2.413 122.722 120.400 -0.151 0.000 2.443 27 D HA 0.415 5.061 4.640 0.010 0.000 0.221 27 D C 0.536 176.788 176.300 -0.080 0.000 1.097 27 D CA -0.063 53.904 54.000 -0.056 0.000 0.865 27 D CB 1.245 42.015 40.800 -0.051 0.000 1.034 27 D HN 0.771 nan 8.370 nan 0.000 0.511 28 T N -1.858 112.714 114.554 0.030 0.000 2.810 28 T HA 0.225 4.580 4.350 0.010 0.000 0.277 28 T C 1.521 176.165 174.700 -0.094 0.000 0.973 28 T CA -0.733 61.385 62.100 0.030 0.000 0.949 28 T CB 0.698 69.760 68.868 0.325 0.000 1.075 28 T HN -0.000 nan 8.240 nan 0.000 0.537 29 V N 1.231 121.026 119.914 -0.199 0.000 2.255 29 V HA -0.149 3.976 4.120 0.010 0.000 0.247 29 V C 2.471 178.376 176.094 -0.316 0.000 1.051 29 V CA 1.809 63.925 62.300 -0.307 0.000 1.018 29 V CB -1.114 30.419 31.823 -0.484 0.000 0.641 29 V HN 0.865 nan 8.190 nan 0.000 0.445 30 H N 0.050 118.952 119.070 -0.280 0.000 2.547 30 H HA 0.458 5.022 4.556 0.013 0.000 0.266 30 H C 0.896 175.484 175.328 -1.233 0.000 0.988 30 H CA 0.803 56.471 56.048 -0.633 0.000 1.147 30 H CB -0.025 29.358 29.762 -0.632 0.000 1.365 30 H HN 0.547 nan 8.280 nan 0.000 0.589 31 G N 0.037 108.441 108.800 -0.659 0.000 2.347 31 G HA2 -0.025 3.941 3.960 0.010 0.000 0.321 31 G HA3 -0.025 3.941 3.960 0.010 0.000 0.321 31 G C -1.208 173.872 174.900 0.300 0.000 1.412 31 G CA -1.159 43.627 45.100 -0.523 0.000 0.990 31 G HN 0.037 nan 8.290 nan 0.000 0.637 32 K N -0.523 120.151 120.400 0.456 0.000 2.326 32 K HA 0.557 4.883 4.320 0.010 0.000 0.275 32 K C -0.259 176.648 176.600 0.512 0.000 1.018 32 K CA -0.350 56.172 56.287 0.391 0.000 0.962 32 K CB 1.641 34.286 32.500 0.242 0.000 0.953 32 K HN 0.354 nan 8.250 nan 0.000 0.475 33 V N 3.738 123.847 119.914 0.325 0.000 2.709 33 V HA 0.274 4.400 4.120 0.010 0.000 0.308 33 V C -0.851 175.408 176.094 0.275 0.000 1.062 33 V CA -1.052 61.410 62.300 0.270 0.000 0.901 33 V CB 1.974 33.984 31.823 0.312 0.000 1.003 33 V HN 0.561 nan 8.190 nan 0.000 0.425 34 L N 3.835 125.202 121.223 0.241 0.000 2.296 34 L HA 0.900 5.246 4.340 0.010 0.000 0.286 34 L C 0.247 177.222 176.870 0.176 0.000 1.023 34 L CA 0.452 55.413 54.840 0.202 0.000 0.812 34 L CB 0.992 43.095 42.059 0.074 0.000 1.223 34 L HN 0.818 nan 8.230 nan 0.000 0.421 35 G N 4.535 113.309 108.800 -0.044 0.000 3.042 35 G HA2 0.616 4.581 3.960 0.010 0.000 0.278 35 G HA3 0.616 4.581 3.960 0.010 0.000 0.278 35 G C -1.403 173.146 174.900 -0.586 0.000 1.371 35 G CA -0.637 44.066 45.100 -0.662 0.000 1.009 35 G HN 0.687 nan 8.290 nan 0.000 0.523 36 K N -0.567 119.473 120.400 -0.599 0.000 2.397 36 K HA 0.566 4.892 4.320 0.010 0.000 0.253 36 K C -1.427 174.987 176.600 -0.311 0.000 0.932 36 K CA -0.774 55.286 56.287 -0.379 0.000 0.795 36 K CB 1.939 34.309 32.500 -0.216 0.000 1.159 36 K HN 0.291 nan 8.250 nan 0.000 0.424 37 F N 2.167 122.033 119.950 -0.140 0.000 2.484 37 F HA 0.248 4.781 4.527 0.011 0.000 0.360 37 F C -0.087 175.681 175.800 -0.053 0.000 1.101 37 F CA -0.444 57.507 58.000 -0.083 0.000 1.251 37 F CB 1.403 40.380 39.000 -0.038 0.000 1.132 37 F HN 0.153 nan 8.300 nan 0.000 0.570 38 V N 3.262 123.304 119.914 0.214 0.000 2.610 38 V HA 0.192 4.317 4.120 0.010 0.000 0.298 38 V C -0.747 175.409 176.094 0.103 0.000 1.067 38 V CA -0.851 61.520 62.300 0.118 0.000 0.894 38 V CB 2.023 33.899 31.823 0.088 0.000 1.015 38 V HN 0.782 nan 8.190 nan 0.000 0.432 39 S N 5.095 120.838 115.700 0.071 0.000 2.554 39 S HA 0.785 5.261 4.470 0.010 0.000 0.278 39 S C -0.678 173.956 174.600 0.057 0.000 1.242 39 S CA -0.629 57.603 58.200 0.054 0.000 1.051 39 S CB 1.954 65.178 63.200 0.040 0.000 0.986 39 S HN 0.640 nan 8.310 nan 0.000 0.502 40 L N 2.004 123.250 121.223 0.039 0.000 2.276 40 L HA 0.404 4.749 4.340 0.010 0.000 0.286 40 L C 0.363 177.321 176.870 0.147 0.000 1.061 40 L CA -0.316 54.549 54.840 0.042 0.000 0.807 40 L CB 0.745 42.731 42.059 -0.123 0.000 1.177 40 L HN 0.912 nan 8.230 nan 0.000 0.429 41 E N 4.278 124.565 120.200 0.144 0.000 3.102 41 E HA 0.131 4.487 4.350 0.010 0.000 0.235 41 E C 0.881 177.616 176.600 0.225 0.000 0.995 41 E CA 1.266 57.759 56.400 0.155 0.000 0.950 41 E CB -0.168 29.612 29.700 0.133 0.000 0.905 41 E HN 0.957 nan 8.360 nan 0.000 0.553 42 G N 4.239 113.147 108.800 0.179 0.000 2.659 42 G HA2 -0.259 3.707 3.960 0.010 0.000 0.202 42 G HA3 -0.259 3.707 3.960 0.010 0.000 0.202 42 G C -0.216 174.712 174.900 0.047 0.000 1.186 42 G CA -0.215 44.957 45.100 0.120 0.000 0.783 42 G HN 0.456 nan 8.290 nan 0.000 0.521 43 F N 2.218 122.141 119.950 -0.044 0.000 2.484 43 F HA 0.641 5.174 4.527 0.010 0.000 0.360 43 F C 1.589 177.364 175.800 -0.042 0.000 1.101 43 F CA 0.204 58.168 58.000 -0.060 0.000 1.251 43 F CB 1.493 40.441 39.000 -0.086 0.000 1.132 43 F HN 0.325 nan 8.300 nan 0.000 0.570 44 A N 2.122 124.986 122.820 0.074 0.000 1.975 44 A HA -0.065 4.260 4.320 0.010 0.000 0.215 44 A C 1.080 178.681 177.584 0.029 0.000 1.170 44 A CA 0.339 52.394 52.037 0.029 0.000 0.656 44 A CB -0.476 18.518 19.000 -0.010 0.000 0.821 44 A HN 0.663 nan 8.150 nan 0.000 0.449 45 Q N 1.649 121.491 119.800 0.069 0.000 2.323 45 Q HA 0.290 4.635 4.340 0.010 0.000 0.257 45 Q C -2.474 173.542 176.000 0.027 0.000 1.022 45 Q CA -2.322 53.503 55.803 0.036 0.000 0.919 45 Q CB 0.662 29.445 28.738 0.075 0.000 1.220 45 Q HN 0.320 nan 8.270 nan 0.000 0.427 46 P HA 0.051 nan 4.420 nan 0.000 0.275 46 P C -0.935 176.389 177.300 0.041 0.000 1.228 46 P CA -0.279 62.777 63.100 -0.073 0.000 0.786 46 P CB 1.086 32.611 31.700 -0.292 0.000 0.927 47 V N 2.369 122.367 119.914 0.141 0.000 2.465 47 V HA 0.391 4.517 4.120 0.010 0.000 0.279 47 V C 0.831 177.136 176.094 0.350 0.000 1.045 47 V CA -0.657 61.778 62.300 0.225 0.000 0.938 47 V CB 0.887 32.812 31.823 0.170 0.000 0.986 47 V HN 0.739 nan 8.190 nan 0.000 0.467 48 A N 6.898 129.942 122.820 0.374 0.000 2.354 48 A HA 0.683 5.009 4.320 0.010 0.000 0.281 48 A C -0.339 177.211 177.584 -0.057 0.000 1.174 48 A CA -0.187 51.929 52.037 0.131 0.000 0.828 48 A CB -0.185 18.970 19.000 0.259 0.000 1.099 48 A HN 0.771 nan 8.150 nan 0.000 0.516 49 I N 2.569 122.903 120.570 -0.393 0.000 2.378 49 I HA 0.467 4.643 4.170 0.010 0.000 0.291 49 I C -1.124 174.564 176.117 -0.715 0.000 0.992 49 I CA -0.247 60.788 61.300 -0.442 0.000 1.154 49 I CB 1.473 39.286 38.000 -0.312 0.000 1.315 49 I HN 0.553 nan 8.210 nan 0.000 0.448 50 F N 6.301 126.105 119.950 -0.242 0.000 2.551 50 F HA 0.654 5.186 4.527 0.009 0.000 0.316 50 F C -0.463 175.213 175.800 -0.208 0.000 1.089 50 F CA -0.672 57.238 58.000 -0.151 0.000 0.915 50 F CB 1.772 40.764 39.000 -0.013 0.000 1.186 50 F HN 0.086 nan 8.300 nan 0.000 0.456 51 L N 1.727 122.942 121.223 -0.013 0.000 2.410 51 L HA 0.690 5.035 4.340 0.010 0.000 0.270 51 L C 0.342 177.191 176.870 -0.035 0.000 0.983 51 L CA -0.980 53.828 54.840 -0.054 0.000 0.822 51 L CB 2.014 43.938 42.059 -0.225 0.000 1.285 51 L HN 0.878 nan 8.230 nan 0.000 0.409 52 G N 3.024 111.828 108.800 0.007 0.000 2.171 52 G HA2 -0.215 3.750 3.960 0.010 0.000 0.238 52 G HA3 -0.215 3.750 3.960 0.010 0.000 0.238 52 G C -0.163 174.835 174.900 0.163 0.000 1.039 52 G CA -0.454 44.627 45.100 -0.032 0.000 0.759 52 G HN 0.479 nan 8.290 nan 0.000 0.501 53 I N 2.353 123.003 120.570 0.134 0.000 2.396 53 I HA 0.221 4.397 4.170 0.010 0.000 0.289 53 I C -1.504 174.664 176.117 0.085 0.000 1.056 53 I CA -2.001 59.337 61.300 0.063 0.000 1.365 53 I CB 1.160 39.095 38.000 -0.108 0.000 1.407 53 I HN -0.015 nan 8.210 nan 0.000 0.509 54 P HA 0.076 nan 4.420 nan 0.000 0.282 54 P C -0.263 176.979 177.300 -0.096 0.000 1.262 54 P CA -0.100 62.876 63.100 -0.207 0.000 0.773 54 P CB 0.509 32.103 31.700 -0.177 0.000 0.879 55 F N 1.338 121.098 119.950 -0.316 0.000 2.654 55 F HA 0.750 5.287 4.527 0.016 0.000 0.303 55 F C 0.003 175.803 175.800 0.000 0.000 1.099 55 F CA -0.782 57.084 58.000 -0.222 0.000 1.270 55 F CB 0.326 39.124 39.000 -0.337 0.000 1.024 55 F HN 0.355 nan 8.300 nan 0.000 0.548 56 A N 0.452 123.016 122.820 -0.427 0.000 2.601 56 A HA 0.500 4.826 4.320 0.010 0.000 0.291 56 A C -1.233 176.163 177.584 -0.313 0.000 1.075 56 A CA -1.024 50.799 52.037 -0.357 0.000 0.671 56 A CB 1.156 19.804 19.000 -0.586 0.000 1.277 56 A HN 0.067 nan 8.150 nan 0.000 0.417 57 K N 0.183 120.460 120.400 -0.206 0.000 2.138 57 K HA 0.401 4.726 4.320 0.010 0.000 0.251 57 K C -2.588 173.869 176.600 -0.238 0.000 1.015 57 K CA -1.516 54.666 56.287 -0.175 0.000 0.917 57 K CB 0.407 32.841 32.500 -0.111 0.000 1.021 57 K HN 0.321 nan 8.250 nan 0.000 0.485 58 P HA 0.106 nan 4.420 nan 0.000 0.270 58 P C -2.275 174.920 177.300 -0.174 0.000 1.242 58 P CA -1.094 61.886 63.100 -0.199 0.000 0.768 58 P CB 0.341 31.963 31.700 -0.130 0.000 0.820 59 P HA -0.027 nan 4.420 nan 0.000 0.262 59 P C -0.488 176.700 177.300 -0.186 0.000 1.647 59 P CA 0.549 63.535 63.100 -0.189 0.000 0.865 59 P CB -0.101 31.480 31.700 -0.198 0.000 1.834 60 L N -1.147 119.983 121.223 -0.155 0.000 2.416 60 L HA 0.573 4.918 4.340 0.010 0.000 0.262 60 L C 1.693 178.490 176.870 -0.121 0.000 1.093 60 L CA -0.222 54.536 54.840 -0.136 0.000 0.801 60 L CB 0.103 42.096 42.059 -0.110 0.000 1.191 60 L HN 0.224 nan 8.230 nan 0.000 0.459 61 G N 1.384 110.119 108.800 -0.108 0.000 2.596 61 G HA2 -0.279 3.687 3.960 0.010 0.000 0.304 61 G HA3 -0.279 3.687 3.960 0.010 0.000 0.304 61 G C -1.281 173.556 174.900 -0.104 0.000 1.189 61 G CA 0.284 45.329 45.100 -0.091 0.000 0.986 61 G HN 0.638 nan 8.290 nan 0.000 0.548 62 P HA 0.109 nan 4.420 nan 0.000 0.225 62 P C 1.858 179.104 177.300 -0.090 0.000 1.156 62 P CA 1.113 64.176 63.100 -0.060 0.000 0.787 62 P CB -0.066 31.617 31.700 -0.029 0.000 0.802 63 L N -0.707 120.443 121.223 -0.121 0.000 2.675 63 L HA 0.111 4.457 4.340 0.010 0.000 0.239 63 L C 1.630 178.349 176.870 -0.252 0.000 1.151 63 L CA -0.124 54.622 54.840 -0.156 0.000 0.905 63 L CB -0.549 41.427 42.059 -0.139 0.000 1.057 63 L HN -0.046 nan 8.230 nan 0.000 0.435 64 R N 0.432 120.751 120.500 -0.303 0.000 2.441 64 R HA 0.119 4.465 4.340 0.010 0.000 0.284 64 R C -0.096 175.844 176.300 -0.599 0.000 1.070 64 R CA -0.376 55.399 56.100 -0.542 0.000 1.047 64 R CB 0.458 30.345 30.300 -0.689 0.000 1.016 64 R HN 0.054 nan 8.270 nan 0.000 0.477 65 F N -0.281 119.328 119.950 -0.568 0.000 3.074 65 F HA -0.276 4.255 4.527 0.006 0.000 0.289 65 F C 0.217 175.132 175.800 -1.474 0.000 0.863 65 F CA 1.385 58.776 58.000 -1.014 0.000 1.121 65 F CB -2.594 36.266 39.000 -0.233 0.000 1.169 65 F HN 0.649 nan 8.300 nan 0.000 0.570 66 T N -3.760 110.111 114.554 -1.138 0.000 2.865 66 T HA 0.809 5.164 4.350 0.010 0.000 0.294 66 T C -3.054 171.388 174.700 -0.430 0.000 1.119 66 T CA -2.459 59.206 62.100 -0.724 0.000 1.007 66 T CB 3.282 71.998 68.868 -0.254 0.000 1.225 66 T HN -0.251 nan 8.240 nan 0.000 0.515 67 P HA 0.286 nan 4.420 nan 0.000 0.271 67 P C -2.373 174.964 177.300 0.061 0.000 1.216 67 P CA -1.096 62.110 63.100 0.177 0.000 0.776 67 P CB -0.220 31.608 31.700 0.213 0.000 0.881 68 P HA 0.025 nan 4.420 nan 0.000 0.266 68 P C -0.616 176.695 177.300 0.018 0.000 1.215 68 P CA 0.322 63.429 63.100 0.011 0.000 0.763 68 P CB 0.629 32.346 31.700 0.029 0.000 0.806 69 Q N 4.381 124.166 119.800 -0.025 0.000 2.259 69 Q HA 0.324 4.670 4.340 0.010 0.000 0.246 69 Q C -2.091 173.904 176.000 -0.008 0.000 0.920 69 Q CA -1.929 53.870 55.803 -0.007 0.000 0.895 69 Q CB 0.192 28.914 28.738 -0.026 0.000 1.220 69 Q HN 0.386 nan 8.270 nan 0.000 0.439 70 P HA -0.104 nan 4.420 nan 0.000 0.265 70 P C -1.183 176.095 177.300 -0.036 0.000 1.187 70 P CA 0.274 63.414 63.100 0.067 0.000 0.766 70 P CB 0.464 32.223 31.700 0.098 0.000 0.820 71 A N 2.903 125.702 122.820 -0.036 0.000 2.425 71 A HA 0.122 4.447 4.320 0.010 0.000 0.242 71 A C 0.411 177.807 177.584 -0.313 0.000 1.077 71 A CA -0.154 51.813 52.037 -0.116 0.000 0.781 71 A CB -0.052 18.976 19.000 0.046 0.000 1.020 71 A HN 0.444 nan 8.150 nan 0.000 0.494 72 E N 2.165 122.274 120.200 -0.150 0.000 2.289 72 E HA 0.269 4.625 4.350 0.010 0.000 0.278 72 E C -2.130 174.407 176.600 -0.105 0.000 1.032 72 E CA -1.531 54.784 56.400 -0.141 0.000 0.854 72 E CB 0.649 30.329 29.700 -0.033 0.000 1.046 72 E HN 0.480 nan 8.360 nan 0.000 0.409 73 P HA 0.051 nan 4.420 nan 0.000 0.271 73 P C -0.720 176.575 177.300 -0.009 0.000 1.216 73 P CA -0.178 62.761 63.100 -0.268 0.000 0.776 73 P CB 0.267 31.825 31.700 -0.236 0.000 0.881 74 W N 1.192 122.520 121.300 0.047 0.000 2.485 74 W HA 0.602 5.265 4.660 0.005 0.000 0.364 74 W C 0.607 177.135 176.519 0.015 0.000 1.171 74 W CA -0.771 56.604 57.345 0.051 0.000 1.304 74 W CB -0.291 29.223 29.460 0.089 0.000 1.335 74 W HN 0.135 nan 8.180 nan 0.000 0.643 75 S N -0.153 115.714 115.700 0.277 0.000 2.511 75 S HA 0.221 4.697 4.470 0.010 0.000 0.214 75 S C 0.095 174.522 174.600 -0.289 0.000 0.997 75 S CA -0.009 58.163 58.200 -0.048 0.000 0.908 75 S CB -0.210 62.909 63.200 -0.135 0.000 0.803 75 S HN 0.416 nan 8.310 nan 0.000 0.504 76 F N -0.235 119.883 119.950 0.279 0.000 3.255 76 F HA 0.491 5.023 4.527 0.008 0.000 0.204 76 F C -0.117 175.841 175.800 0.264 0.000 1.613 76 F CA -0.799 57.324 58.000 0.205 0.000 0.925 76 F CB 0.149 39.221 39.000 0.119 0.000 1.893 76 F HN -0.355 nan 8.300 nan 0.000 0.306 77 V N 1.623 121.786 119.914 0.416 0.000 2.293 77 V HA 0.245 4.371 4.120 0.010 0.000 0.275 77 V C -0.398 175.764 176.094 0.113 0.000 1.021 77 V CA -0.925 61.528 62.300 0.255 0.000 0.815 77 V CB 0.890 32.827 31.823 0.190 0.000 1.025 77 V HN 0.347 nan 8.190 nan 0.000 0.448 78 K N 4.455 124.836 120.400 -0.031 0.000 2.383 78 K HA 0.183 4.509 4.320 0.010 0.000 0.286 78 K C 0.043 176.583 176.600 -0.100 0.000 1.051 78 K CA -0.335 55.809 56.287 -0.239 0.000 0.974 78 K CB 0.327 32.365 32.500 -0.770 0.000 0.968 78 K HN 0.549 nan 8.250 nan 0.000 0.475 79 N N 2.785 121.436 118.700 -0.083 0.000 2.411 79 N HA 0.093 4.838 4.740 0.010 0.000 0.259 79 N C -0.815 174.657 175.510 -0.064 0.000 1.103 79 N CA -0.048 52.972 53.050 -0.050 0.000 0.954 79 N CB 1.564 40.015 38.487 -0.059 0.000 1.085 79 N HN 0.571 nan 8.380 nan 0.000 0.485 80 A N 1.838 124.654 122.820 -0.007 0.000 3.157 80 A HA 0.247 4.573 4.320 0.010 0.000 0.276 80 A C 0.992 178.527 177.584 -0.082 0.000 1.524 80 A CA -0.507 51.526 52.037 -0.006 0.000 1.236 80 A CB -0.624 18.471 19.000 0.159 0.000 1.173 80 A HN 0.605 nan 8.150 nan 0.000 0.595 81 T N -3.273 111.200 114.554 -0.134 0.000 3.040 81 T HA 0.324 4.679 4.350 0.010 0.000 0.266 81 T C 0.426 174.979 174.700 -0.245 0.000 1.005 81 T CA 0.141 62.127 62.100 -0.190 0.000 0.906 81 T CB 0.072 68.849 68.868 -0.152 0.000 1.082 81 T HN 0.236 nan 8.240 nan 0.000 0.531 82 S N 0.622 116.181 115.700 -0.236 0.000 2.536 82 S HA 0.642 5.118 4.470 0.010 0.000 0.298 82 S C -1.405 173.045 174.600 -0.251 0.000 1.083 82 S CA -0.731 57.323 58.200 -0.244 0.000 0.995 82 S CB 0.892 64.000 63.200 -0.154 0.000 1.058 82 S HN 0.282 nan 8.310 nan 0.000 0.488 83 Y N 3.477 123.717 120.300 -0.100 0.000 2.442 83 Y HA 0.229 4.784 4.550 0.009 0.000 0.330 83 Y C -1.595 174.201 175.900 -0.173 0.000 1.129 83 Y CA -1.531 56.507 58.100 -0.105 0.000 1.365 83 Y CB -0.014 38.404 38.460 -0.070 0.000 1.233 83 Y HN 0.398 nan 8.280 nan 0.000 0.529 84 P HA 0.105 nan 4.420 nan 0.000 0.272 84 P C -2.710 174.485 177.300 -0.174 0.000 1.240 84 P CA -1.457 61.458 63.100 -0.308 0.000 0.791 84 P CB 0.429 31.900 31.700 -0.382 0.000 0.978 85 P HA 0.236 nan 4.420 nan 0.000 0.279 85 P C -0.202 177.055 177.300 -0.073 0.000 1.239 85 P CA -0.087 62.941 63.100 -0.119 0.000 0.789 85 P CB 0.199 31.828 31.700 -0.117 0.000 0.933 86 M N 1.357 120.908 119.600 -0.082 0.000 2.235 86 M HA 0.367 4.853 4.480 0.010 0.000 0.351 86 M C -0.303 175.936 176.300 -0.102 0.000 1.178 86 M CA -0.267 54.984 55.300 -0.082 0.000 1.143 86 M CB -0.138 32.401 32.600 -0.103 0.000 1.530 86 M HN 0.152 nan 8.290 nan 0.000 0.461 87 c N 1.938 120.476 118.600 -0.103 0.000 2.692 87 c HA 0.073 4.649 4.570 0.010 0.000 0.409 87 c C 1.001 174.956 174.090 -0.224 0.000 1.284 87 c CA -0.406 55.817 56.329 -0.177 0.000 1.909 87 c CB -0.727 41.691 42.510 -0.153 0.000 2.713 87 c HN 0.872 nan 8.230 nan 0.000 0.649 88 T N 3.938 118.232 114.554 -0.433 0.000 2.905 88 T HA 0.335 4.691 4.350 0.010 0.000 0.299 88 T C -0.056 174.583 174.700 -0.102 0.000 1.024 88 T CA 0.260 62.090 62.100 -0.450 0.000 1.151 88 T CB -0.113 68.037 68.868 -1.197 0.000 0.987 88 T HN 0.882 nan 8.240 nan 0.000 0.535 89 Q N 0.782 120.597 119.800 0.024 0.000 2.804 89 Q HA 0.288 4.633 4.340 0.010 0.000 0.302 89 Q C -1.639 174.426 176.000 0.109 0.000 0.885 89 Q CA -1.161 54.723 55.803 0.135 0.000 0.759 89 Q CB 0.872 29.660 28.738 0.083 0.000 1.465 89 Q HN 0.401 nan 8.270 nan 0.000 0.432 90 D N 2.454 122.929 120.400 0.125 0.000 2.479 90 D HA -0.011 4.635 4.640 0.010 0.000 0.257 90 D C -1.167 175.160 176.300 0.044 0.000 1.230 90 D CA -0.923 53.131 54.000 0.089 0.000 0.912 90 D CB 1.022 41.875 40.800 0.089 0.000 1.130 90 D HN 0.320 nan 8.370 nan 0.000 0.515 91 P HA -0.229 nan 4.420 nan 0.000 0.215 91 P C 0.966 178.265 177.300 -0.003 0.000 1.157 91 P CA 1.576 64.678 63.100 0.004 0.000 0.874 91 P CB 0.273 31.974 31.700 0.001 0.000 0.790 92 K N 0.579 120.981 120.400 0.004 0.000 1.985 92 K HA -0.054 4.272 4.320 0.010 0.000 0.210 92 K C 2.559 179.154 176.600 -0.008 0.000 1.047 92 K CA 1.562 57.848 56.287 -0.002 0.000 0.932 92 K CB -1.215 31.287 32.500 0.003 0.000 0.716 92 K HN -0.009 nan 8.250 nan 0.000 0.439 93 A N 1.796 124.617 122.820 0.001 0.000 1.908 93 A HA -0.106 4.220 4.320 0.010 0.000 0.218 93 A C 2.591 180.162 177.584 -0.023 0.000 1.181 93 A CA 1.966 54.000 52.037 -0.005 0.000 0.627 93 A CB -1.579 17.434 19.000 0.021 0.000 0.818 93 A HN 0.479 nan 8.150 nan 0.000 0.445 94 G N -1.036 107.756 108.800 -0.013 0.000 2.442 94 G HA2 -0.287 3.679 3.960 0.010 0.000 0.219 94 G HA3 -0.287 3.679 3.960 0.010 0.000 0.219 94 G C 1.648 176.512 174.900 -0.060 0.000 1.141 94 G CA 1.161 46.243 45.100 -0.030 0.000 0.763 94 G HN 0.645 nan 8.290 nan 0.000 0.554 95 Q N -0.592 119.177 119.800 -0.051 0.000 1.994 95 Q HA -0.031 4.314 4.340 0.010 0.000 0.198 95 Q C 2.510 178.469 176.000 -0.067 0.000 0.976 95 Q CA 0.996 56.763 55.803 -0.060 0.000 0.828 95 Q CB -0.301 28.412 28.738 -0.042 0.000 0.894 95 Q HN 0.317 nan 8.270 nan 0.000 0.432 96 L N 1.277 122.468 121.223 -0.053 0.000 2.034 96 L HA -0.241 4.105 4.340 0.010 0.000 0.217 96 L C 2.250 179.058 176.870 -0.103 0.000 1.077 96 L CA 1.784 56.591 54.840 -0.054 0.000 0.769 96 L CB -1.064 40.968 42.059 -0.044 0.000 0.890 96 L HN 0.431 nan 8.230 nan 0.000 0.435 97 L N -1.043 120.086 121.223 -0.156 0.000 2.027 97 L HA -0.161 4.185 4.340 0.010 0.000 0.206 97 L C 2.738 179.416 176.870 -0.320 0.000 1.074 97 L CA 2.144 56.796 54.840 -0.313 0.000 0.745 97 L CB -1.071 40.823 42.059 -0.275 0.000 0.898 97 L HN 0.472 nan 8.230 nan 0.000 0.433 98 S N -0.972 114.608 115.700 -0.200 0.000 2.419 98 S HA -0.214 4.261 4.470 0.010 0.000 0.235 98 S C 1.788 176.306 174.600 -0.137 0.000 1.019 98 S CA 1.634 59.721 58.200 -0.187 0.000 0.982 98 S CB -0.385 62.717 63.200 -0.163 0.000 0.789 98 S HN 0.676 nan 8.310 nan 0.000 0.490 99 E N 0.120 120.268 120.200 -0.086 0.000 2.230 99 E HA 0.091 4.447 4.350 0.010 0.000 0.192 99 E C 1.665 178.310 176.600 0.074 0.000 0.987 99 E CA 0.661 57.053 56.400 -0.013 0.000 0.841 99 E CB -0.064 29.637 29.700 0.001 0.000 0.783 99 E HN 0.530 nan 8.360 nan 0.000 0.481 100 L N -0.132 121.132 121.223 0.068 0.000 2.591 100 L HA 0.088 4.434 4.340 0.010 0.000 0.228 100 L C 1.272 178.466 176.870 0.540 0.000 1.133 100 L CA 0.098 55.094 54.840 0.261 0.000 0.880 100 L CB 0.135 42.318 42.059 0.208 0.000 1.033 100 L HN 0.074 nan 8.230 nan 0.000 0.450 101 F N -1.051 118.901 119.950 0.003 0.000 2.667 101 F HA 0.160 4.692 4.527 0.009 0.000 0.288 101 F C 1.712 177.284 175.800 -0.380 0.000 1.086 101 F CA -0.559 57.299 58.000 -0.235 0.000 1.297 101 F CB -0.448 38.408 39.000 -0.239 0.000 1.059 101 F HN -0.217 nan 8.300 nan 0.000 0.624 102 T N 2.503 116.997 114.554 -0.100 0.000 2.939 102 T HA -0.086 4.270 4.350 0.010 0.000 0.312 102 T C 1.111 175.771 174.700 -0.066 0.000 1.064 102 T CA 0.566 62.534 62.100 -0.219 0.000 1.136 102 T CB 0.203 68.971 68.868 -0.166 0.000 1.035 102 T HN 0.445 nan 8.240 nan 0.000 0.538 103 N N 3.664 122.265 118.700 -0.165 0.000 2.171 103 N HA 0.037 4.783 4.740 0.010 0.000 0.212 103 N C 0.424 175.861 175.510 -0.122 0.000 1.184 103 N CA -0.517 52.476 53.050 -0.095 0.000 0.888 103 N CB 0.191 38.610 38.487 -0.112 0.000 1.038 103 N HN 0.755 nan 8.380 nan 0.000 0.517 104 R N 1.055 121.488 120.500 -0.111 0.000 2.541 104 R HA 0.314 4.660 4.340 0.010 0.000 0.263 104 R C 1.104 177.372 176.300 -0.052 0.000 1.112 104 R CA -0.649 55.410 56.100 -0.069 0.000 1.170 104 R CB 1.001 31.268 30.300 -0.056 0.000 1.167 104 R HN -0.125 nan 8.270 nan 0.000 0.582 105 K N 0.579 120.968 120.400 -0.018 0.000 1.970 105 K HA -0.224 4.102 4.320 0.010 0.000 0.225 105 K C 0.004 176.601 176.600 -0.004 0.000 1.045 105 K CA 1.761 58.046 56.287 -0.003 0.000 1.002 105 K CB -0.584 31.927 32.500 0.019 0.000 0.743 105 K HN 0.788 nan 8.250 nan 0.000 0.445 106 E N 1.641 121.841 120.200 0.000 0.000 2.191 106 E HA 0.156 4.511 4.350 0.010 0.000 0.278 106 E C -0.892 175.694 176.600 -0.022 0.000 0.972 106 E CA -0.819 55.579 56.400 -0.003 0.000 0.804 106 E CB 1.116 30.820 29.700 0.006 0.000 1.110 106 E HN 0.262 nan 8.360 nan 0.000 0.394 107 N N 2.873 121.556 118.700 -0.028 0.000 2.344 107 N HA -0.032 4.713 4.740 0.010 0.000 0.236 107 N C -0.566 174.906 175.510 -0.064 0.000 1.279 107 N CA -0.116 52.901 53.050 -0.056 0.000 0.882 107 N CB 0.473 38.933 38.487 -0.045 0.000 1.110 107 N HN 0.418 nan 8.380 nan 0.000 0.436 108 I N 3.394 123.898 120.570 -0.109 0.000 2.378 108 I HA 0.320 4.495 4.170 0.010 0.000 0.291 108 I C -1.976 174.077 176.117 -0.106 0.000 0.992 108 I CA -2.330 58.903 61.300 -0.112 0.000 1.154 108 I CB 1.014 38.882 38.000 -0.221 0.000 1.315 108 I HN 0.492 nan 8.210 nan 0.000 0.448 109 P HA 0.359 nan 4.420 nan 0.000 0.276 109 P C -1.061 176.202 177.300 -0.062 0.000 1.230 109 P CA -0.198 62.870 63.100 -0.054 0.000 0.776 109 P CB 1.256 32.937 31.700 -0.030 0.000 0.888 110 L N 3.073 124.254 121.223 -0.071 0.000 2.323 110 L HA 0.524 4.870 4.340 0.010 0.000 0.265 110 L C 0.382 177.214 176.870 -0.063 0.000 1.012 110 L CA -1.064 53.731 54.840 -0.074 0.000 0.820 110 L CB 1.731 43.729 42.059 -0.102 0.000 1.334 110 L HN 0.215 nan 8.230 nan 0.000 0.427 111 K N 1.470 121.831 120.400 -0.066 0.000 2.166 111 K HA 0.727 5.052 4.320 0.010 0.000 0.245 111 K C -1.108 175.442 176.600 -0.083 0.000 0.967 111 K CA -0.459 55.788 56.287 -0.067 0.000 0.863 111 K CB 1.215 33.675 32.500 -0.066 0.000 1.107 111 K HN 0.318 nan 8.250 nan 0.000 0.436 112 L N 0.695 121.865 121.223 -0.088 0.000 2.334 112 L HA 0.649 4.995 4.340 0.010 0.000 0.275 112 L C -0.147 176.637 176.870 -0.143 0.000 1.036 112 L CA -0.666 54.103 54.840 -0.119 0.000 0.807 112 L CB 1.797 43.788 42.059 -0.113 0.000 1.231 112 L HN 0.716 nan 8.230 nan 0.000 0.438 113 S N 0.219 115.803 115.700 -0.193 0.000 2.558 113 S HA 0.155 4.631 4.470 0.010 0.000 0.277 113 S C 0.127 174.549 174.600 -0.296 0.000 1.143 113 S CA -0.584 57.492 58.200 -0.205 0.000 0.865 113 S CB 1.737 64.861 63.200 -0.126 0.000 1.102 113 S HN 0.770 nan 8.310 nan 0.000 0.454 114 E N 0.988 120.985 120.200 -0.338 0.000 2.152 114 E HA -0.068 4.288 4.350 0.010 0.000 0.192 114 E C -0.171 176.275 176.600 -0.257 0.000 0.983 114 E CA 0.751 56.892 56.400 -0.432 0.000 0.818 114 E CB 0.123 29.590 29.700 -0.387 0.000 0.758 114 E HN 0.595 nan 8.360 nan 0.000 0.467 115 D N -0.352 119.957 120.400 -0.152 0.000 2.402 115 D HA -0.014 4.631 4.640 0.010 0.000 0.235 115 D C 0.045 176.407 176.300 0.103 0.000 1.226 115 D CA -0.261 53.707 54.000 -0.054 0.000 0.918 115 D CB 0.192 40.987 40.800 -0.009 0.000 1.043 115 D HN 0.133 nan 8.370 nan 0.000 0.506 116 c N 2.480 121.123 118.600 0.073 0.000 4.015 116 c HA 0.328 4.904 4.570 0.010 0.000 0.323 116 c C 0.900 175.120 174.090 0.217 0.000 1.724 116 c CA -0.668 55.804 56.329 0.237 0.000 1.828 116 c CB -1.273 41.260 42.510 0.037 0.000 3.083 116 c HN 0.506 nan 8.230 nan 0.000 0.640 117 L N 2.638 123.725 121.223 -0.225 0.000 2.450 117 L HA 0.223 4.569 4.340 0.010 0.000 0.256 117 L C -0.744 175.776 176.870 -0.583 0.000 1.374 117 L CA 0.901 55.461 54.840 -0.467 0.000 1.210 117 L CB -1.047 40.505 42.059 -0.845 0.000 1.394 117 L HN 0.436 nan 8.230 nan 0.000 0.438 118 Y N 1.326 121.738 120.300 0.187 0.000 2.605 118 Y HA 0.704 5.260 4.550 0.011 0.000 0.343 118 Y C -0.117 175.932 175.900 0.248 0.000 1.036 118 Y CA -1.431 56.800 58.100 0.219 0.000 1.065 118 Y CB 1.717 40.213 38.460 0.059 0.000 1.288 118 Y HN 0.096 nan 8.280 nan 0.000 0.481 119 L N -0.300 121.060 121.223 0.229 0.000 2.393 119 L HA 0.741 5.087 4.340 0.010 0.000 0.260 119 L C -1.293 175.609 176.870 0.053 0.000 1.002 119 L CA -1.231 53.650 54.840 0.068 0.000 0.818 119 L CB 1.570 43.525 42.059 -0.174 0.000 1.369 119 L HN 0.405 nan 8.230 nan 0.000 0.412 120 N N 1.329 120.104 118.700 0.126 0.000 2.417 120 N HA 0.739 5.485 4.740 0.010 0.000 0.300 120 N C -1.136 174.433 175.510 0.098 0.000 1.102 120 N CA -0.253 52.869 53.050 0.119 0.000 0.886 120 N CB 2.429 41.077 38.487 0.268 0.000 1.203 120 N HN 0.676 nan 8.380 nan 0.000 0.496 121 I N 1.358 121.896 120.570 -0.053 0.000 2.608 121 I HA 0.306 4.481 4.170 0.010 0.000 0.295 121 I C -1.053 174.963 176.117 -0.168 0.000 1.049 121 I CA -0.709 60.594 61.300 0.004 0.000 1.063 121 I CB 1.599 39.517 38.000 -0.138 0.000 1.248 121 I HN 0.409 nan 8.210 nan 0.000 0.424 122 Y N 2.878 123.307 120.300 0.215 0.000 2.584 122 Y HA 0.208 4.763 4.550 0.009 0.000 0.358 122 Y C 0.469 176.495 175.900 0.211 0.000 1.028 122 Y CA -0.636 57.586 58.100 0.204 0.000 1.148 122 Y CB 1.466 40.024 38.460 0.164 0.000 1.126 122 Y HN 0.392 nan 8.280 nan 0.000 0.658 123 T N 3.576 118.338 114.554 0.346 0.000 2.780 123 T HA 0.229 4.585 4.350 0.010 0.000 0.294 123 T C -1.759 173.111 174.700 0.284 0.000 0.949 123 T CA -1.898 60.395 62.100 0.322 0.000 1.074 123 T CB 1.038 70.141 68.868 0.391 0.000 0.910 123 T HN 0.270 nan 8.240 nan 0.000 0.501 124 P HA 0.284 nan 4.420 nan 0.000 0.262 124 P C 0.206 177.605 177.300 0.166 0.000 1.304 124 P CA -0.215 62.988 63.100 0.172 0.000 0.859 124 P CB 0.050 31.822 31.700 0.120 0.000 1.310 125 A N 0.788 123.721 122.820 0.190 0.000 2.313 125 A HA 0.205 4.531 4.320 0.010 0.000 0.261 125 A C 0.009 177.698 177.584 0.175 0.000 1.090 125 A CA -0.108 52.026 52.037 0.162 0.000 0.807 125 A CB -0.257 18.840 19.000 0.161 0.000 1.055 125 A HN -0.056 nan 8.150 nan 0.000 0.492 126 D N 1.192 121.671 120.400 0.131 0.000 2.524 126 D HA 0.327 4.973 4.640 0.010 0.000 0.222 126 D C 1.061 177.441 176.300 0.134 0.000 1.142 126 D CA -0.132 53.942 54.000 0.123 0.000 0.973 126 D CB -0.407 40.436 40.800 0.072 0.000 1.025 126 D HN 0.419 nan 8.370 nan 0.000 0.519 127 L N 1.797 123.134 121.223 0.189 0.000 2.283 127 L HA -0.258 4.088 4.340 0.010 0.000 0.217 127 L C 2.450 179.378 176.870 0.097 0.000 1.104 127 L CA 1.667 56.594 54.840 0.145 0.000 0.772 127 L CB -1.016 41.151 42.059 0.181 0.000 0.899 127 L HN 0.494 nan 8.230 nan 0.000 0.439 128 T N -3.017 111.601 114.554 0.107 0.000 2.788 128 T HA -0.131 4.225 4.350 0.010 0.000 0.268 128 T C 1.245 175.973 174.700 0.047 0.000 1.044 128 T CA 0.790 62.934 62.100 0.073 0.000 1.139 128 T CB 0.067 68.977 68.868 0.071 0.000 0.867 128 T HN 0.318 nan 8.240 nan 0.000 0.454 129 K N 0.573 121.002 120.400 0.048 0.000 2.727 129 K HA 0.480 4.806 4.320 0.010 0.000 0.299 129 K C -0.183 176.434 176.600 0.028 0.000 0.996 129 K CA -0.824 55.483 56.287 0.033 0.000 1.212 129 K CB 0.468 32.988 32.500 0.033 0.000 1.529 129 K HN 0.028 nan 8.250 nan 0.000 0.646 130 K N 1.727 122.141 120.400 0.024 0.000 2.575 130 K HA 0.210 4.536 4.320 0.010 0.000 0.236 130 K C -1.257 175.358 176.600 0.025 0.000 0.976 130 K CA -0.326 55.972 56.287 0.018 0.000 0.985 130 K CB 0.415 32.919 32.500 0.007 0.000 1.198 130 K HN 0.425 nan 8.250 nan 0.000 0.464 131 N N 2.372 121.095 118.700 0.038 0.000 2.430 131 N HA 0.341 5.086 4.740 0.010 0.000 0.298 131 N C -0.432 175.104 175.510 0.043 0.000 1.130 131 N CA -0.654 52.424 53.050 0.045 0.000 0.894 131 N CB 1.695 40.221 38.487 0.067 0.000 1.209 131 N HN 0.364 nan 8.380 nan 0.000 0.503 132 R N 0.939 121.461 120.500 0.037 0.000 2.772 132 R HA 0.392 4.738 4.340 0.010 0.000 0.358 132 R C -0.472 175.848 176.300 0.034 0.000 1.143 132 R CA -0.352 55.766 56.100 0.031 0.000 1.153 132 R CB -0.449 29.857 30.300 0.009 0.000 1.329 132 R HN 0.505 nan 8.270 nan 0.000 0.615 133 L N 2.135 123.390 121.223 0.055 0.000 2.492 133 L HA 0.161 4.507 4.340 0.010 0.000 0.280 133 L C -1.565 175.336 176.870 0.052 0.000 1.240 133 L CA -1.148 53.726 54.840 0.057 0.000 0.831 133 L CB 0.194 42.302 42.059 0.082 0.000 1.100 133 L HN 0.103 nan 8.230 nan 0.000 0.505 134 P HA 0.096 nan 4.420 nan 0.000 0.275 134 P C -0.996 176.343 177.300 0.065 0.000 1.227 134 P CA -0.193 62.926 63.100 0.031 0.000 0.781 134 P CB 1.151 32.852 31.700 0.003 0.000 0.906 135 V N 4.513 124.476 119.914 0.081 0.000 2.483 135 V HA 0.389 4.515 4.120 0.010 0.000 0.295 135 V C 0.611 176.787 176.094 0.138 0.000 1.035 135 V CA -0.392 61.983 62.300 0.125 0.000 0.896 135 V CB 1.195 33.101 31.823 0.138 0.000 0.986 135 V HN 0.510 nan 8.190 nan 0.000 0.447 136 M N 4.575 124.290 119.600 0.192 0.000 2.018 136 M HA 0.412 4.898 4.480 0.010 0.000 0.311 136 M C -1.045 175.556 176.300 0.501 0.000 0.928 136 M CA -0.492 54.973 55.300 0.275 0.000 0.911 136 M CB 1.805 34.493 32.600 0.147 0.000 1.447 136 M HN 0.400 nan 8.290 nan 0.000 0.407 137 V N 3.673 123.851 119.914 0.440 0.000 2.389 137 V HA 0.159 4.285 4.120 0.010 0.000 0.264 137 V C -0.452 175.854 176.094 0.352 0.000 1.049 137 V CA -0.402 62.100 62.300 0.336 0.000 0.932 137 V CB 0.367 32.289 31.823 0.167 0.000 1.011 137 V HN 0.825 nan 8.190 nan 0.000 0.475 138 W N 7.393 128.693 121.300 0.001 0.000 2.331 138 W HA 0.533 5.199 4.660 0.010 0.000 0.306 138 W C -1.086 175.280 176.519 -0.256 0.000 1.162 138 W CA -1.001 56.066 57.345 -0.463 0.000 1.232 138 W CB 1.060 30.211 29.460 -0.515 0.000 1.235 138 W HN 0.433 nan 8.180 nan 0.000 0.479 139 I N 8.415 128.342 120.570 -1.071 0.000 2.291 139 I HA 0.006 4.182 4.170 0.010 0.000 0.290 139 I C 1.163 176.469 176.117 -1.351 0.000 1.050 139 I CA -0.625 60.130 61.300 -0.908 0.000 1.245 139 I CB 0.437 38.040 38.000 -0.661 0.000 1.405 139 I HN 0.381 nan 8.210 nan 0.000 0.478 140 H N 5.494 124.024 119.070 -0.900 0.000 2.790 140 H HA 0.326 4.887 4.556 0.009 0.000 0.358 140 H C -0.002 175.275 175.328 -0.085 0.000 1.103 140 H CA -0.345 55.410 56.048 -0.489 0.000 1.426 140 H CB 0.944 30.812 29.762 0.177 0.000 1.424 140 H HN 0.616 nan 8.280 nan 0.000 0.599 141 G N -0.566 108.255 108.800 0.034 0.000 2.568 141 G HA2 0.473 4.439 3.960 0.010 0.000 0.293 141 G HA3 0.473 4.439 3.960 0.010 0.000 0.293 141 G C 0.389 175.500 174.900 0.353 0.000 1.347 141 G CA -0.689 44.487 45.100 0.126 0.000 1.039 141 G HN 1.140 nan 8.290 nan 0.000 0.523 142 G N -3.097 105.883 108.800 0.300 0.000 3.216 142 G HA2 0.427 4.393 3.960 0.010 0.000 0.221 142 G HA3 0.427 4.393 3.960 0.010 0.000 0.221 142 G C 0.981 175.986 174.900 0.176 0.000 0.949 142 G CA 0.864 46.122 45.100 0.263 0.000 0.952 142 G HN 2.327 nan 8.290 nan 0.000 0.657 143 G N 0.169 109.061 108.800 0.154 0.000 2.148 143 G HA2 -0.176 3.790 3.960 0.010 0.000 0.254 143 G HA3 -0.176 3.790 3.960 0.010 0.000 0.254 143 G C 1.033 175.959 174.900 0.042 0.000 0.981 143 G CA 0.423 45.573 45.100 0.084 0.000 0.670 143 G HN 1.637 nan 8.290 nan 0.000 0.528 144 L N -2.882 118.401 121.223 0.100 0.000 4.291 144 L HA -0.266 4.080 4.340 0.010 0.000 0.413 144 L C 1.820 178.798 176.870 0.180 0.000 1.162 144 L CA 1.598 56.534 54.840 0.160 0.000 0.961 144 L CB -1.398 40.606 42.059 -0.092 0.000 2.095 144 L HN 0.446 nan 8.230 nan 0.000 0.838 145 M N -1.400 118.275 119.600 0.126 0.000 2.532 145 M HA 0.334 4.819 4.480 0.010 0.000 0.244 145 M C 0.578 176.958 176.300 0.134 0.000 1.390 145 M CA 1.036 56.410 55.300 0.124 0.000 1.132 145 M CB 0.556 33.209 32.600 0.088 0.000 1.466 145 M HN 0.140 nan 8.290 nan 0.000 0.550 146 V N -1.449 118.541 119.914 0.127 0.000 2.925 146 V HA 1.058 5.183 4.120 0.010 0.000 0.311 146 V C -0.468 175.722 176.094 0.160 0.000 1.104 146 V CA -0.097 62.267 62.300 0.107 0.000 0.954 146 V CB 1.565 33.431 31.823 0.072 0.000 1.022 146 V HN 0.502 nan 8.190 nan 0.000 0.427 147 G N 1.118 109.988 108.800 0.116 0.000 2.333 147 G HA2 0.877 4.843 3.960 0.010 0.000 0.288 147 G HA3 0.877 4.843 3.960 0.010 0.000 0.288 147 G C -0.812 173.951 174.900 -0.229 0.000 1.286 147 G CA -0.013 45.163 45.100 0.127 0.000 0.865 147 G HN 2.557 nan 8.290 nan 0.000 0.506 148 A N -2.344 120.034 122.820 -0.736 0.000 2.601 148 A HA 0.846 5.171 4.320 0.010 0.000 0.303 148 A C 0.320 177.706 177.584 -0.331 0.000 1.004 148 A CA 0.629 52.378 52.037 -0.480 0.000 0.742 148 A CB 0.503 19.369 19.000 -0.224 0.000 1.250 148 A HN 2.459 nan 8.150 nan 0.000 0.406 149 A N 0.560 123.325 122.820 -0.090 0.000 2.072 149 A HA 0.278 4.604 4.320 0.010 0.000 0.216 149 A C 1.818 179.516 177.584 0.190 0.000 1.156 149 A CA 1.951 54.107 52.037 0.199 0.000 0.701 149 A CB -0.483 18.677 19.000 0.267 0.000 0.816 149 A HN 1.480 nan 8.150 nan 0.000 0.458 150 S N -0.300 115.418 115.700 0.030 0.000 2.474 150 S HA -0.110 4.366 4.470 0.010 0.000 0.235 150 S C 1.802 176.255 174.600 -0.244 0.000 0.997 150 S CA 1.467 59.603 58.200 -0.106 0.000 0.949 150 S CB -0.469 62.543 63.200 -0.313 0.000 0.766 150 S HN 0.596 nan 8.310 nan 0.000 0.517 151 T N 1.096 115.512 114.554 -0.229 0.000 2.746 151 T HA -0.043 4.313 4.350 0.010 0.000 0.267 151 T C -0.099 174.282 174.700 -0.532 0.000 1.039 151 T CA 1.036 62.885 62.100 -0.419 0.000 1.142 151 T CB -0.294 68.246 68.868 -0.545 0.000 0.866 151 T HN 0.439 nan 8.240 nan 0.000 0.444 152 Y N 2.068 122.222 120.300 -0.243 0.000 2.452 152 Y HA 0.392 4.947 4.550 0.009 0.000 0.348 152 Y C 0.193 175.873 175.900 -0.366 0.000 0.985 152 Y CA -1.789 56.009 58.100 -0.503 0.000 1.214 152 Y CB 0.240 38.152 38.460 -0.914 0.000 1.136 152 Y HN -0.035 nan 8.280 nan 0.000 0.523 153 D N 2.270 122.523 120.400 -0.246 0.000 2.249 153 D HA 0.224 4.870 4.640 0.010 0.000 0.246 153 D C 0.793 176.860 176.300 -0.388 0.000 1.114 153 D CA -0.273 53.570 54.000 -0.262 0.000 0.854 153 D CB 1.665 42.402 40.800 -0.105 0.000 1.132 153 D HN 0.809 nan 8.370 nan 0.000 0.461 154 G N 3.032 111.214 108.800 -1.030 0.000 3.337 154 G HA2 -0.045 3.920 3.960 0.010 0.000 0.246 154 G HA3 -0.045 3.920 3.960 0.010 0.000 0.246 154 G C 1.257 175.947 174.900 -0.350 0.000 1.131 154 G CA -0.167 44.553 45.100 -0.633 0.000 0.773 154 G HN 0.481 nan 8.290 nan 0.000 0.544 155 L N 1.395 122.482 121.223 -0.225 0.000 2.042 155 L HA 0.034 4.380 4.340 0.010 0.000 0.210 155 L C 2.830 179.656 176.870 -0.075 0.000 1.076 155 L CA 2.393 57.244 54.840 0.018 0.000 0.749 155 L CB -0.478 41.630 42.059 0.082 0.000 0.893 155 L HN 0.210 nan 8.230 nan 0.000 0.432 156 A N -0.558 122.211 122.820 -0.086 0.000 1.824 156 A HA -0.215 4.111 4.320 0.010 0.000 0.215 156 A C 2.214 179.709 177.584 -0.147 0.000 1.209 156 A CA 1.908 53.876 52.037 -0.115 0.000 0.614 156 A CB -1.351 17.599 19.000 -0.083 0.000 0.852 156 A HN 0.451 nan 8.150 nan 0.000 0.447 157 L N -0.094 121.048 121.223 -0.136 0.000 1.976 157 L HA -0.260 4.086 4.340 0.010 0.000 0.223 157 L C 2.740 179.571 176.870 -0.063 0.000 1.081 157 L CA 2.923 57.687 54.840 -0.126 0.000 0.784 157 L CB -1.046 40.918 42.059 -0.159 0.000 0.896 157 L HN 0.452 nan 8.230 nan 0.000 0.438 158 A N -0.987 121.818 122.820 -0.024 0.000 1.958 158 A HA -0.218 4.108 4.320 0.010 0.000 0.221 158 A C 2.385 179.958 177.584 -0.018 0.000 1.178 158 A CA 2.588 54.647 52.037 0.037 0.000 0.642 158 A CB -1.263 17.816 19.000 0.131 0.000 0.816 158 A HN 0.705 nan 8.150 nan 0.000 0.453 159 A N -1.628 121.099 122.820 -0.155 0.000 1.840 159 A HA -0.118 4.208 4.320 0.010 0.000 0.214 159 A C 2.111 179.512 177.584 -0.305 0.000 1.198 159 A CA 1.385 53.186 52.037 -0.393 0.000 0.608 159 A CB -0.949 17.518 19.000 -0.888 0.000 0.839 159 A HN 0.628 nan 8.150 nan 0.000 0.443 160 H N -0.342 118.530 119.070 -0.331 0.000 2.352 160 H HA -0.052 4.510 4.556 0.009 0.000 0.299 160 H C 0.876 176.239 175.328 0.058 0.000 1.097 160 H CA 1.673 57.721 56.048 -0.000 0.000 1.311 160 H CB 0.239 29.884 29.762 -0.196 0.000 1.377 160 H HN 0.416 nan 8.280 nan 0.000 0.504 161 E N 0.189 120.457 120.200 0.113 0.000 2.548 161 E HA 0.040 4.395 4.350 0.010 0.000 0.206 161 E C -0.301 176.344 176.600 0.075 0.000 1.005 161 E CA -0.346 56.104 56.400 0.084 0.000 0.951 161 E CB -0.262 29.465 29.700 0.044 0.000 1.035 161 E HN 0.386 nan 8.360 nan 0.000 0.470 162 N N 0.778 119.527 118.700 0.082 0.000 2.586 162 N HA -0.176 4.570 4.740 0.010 0.000 0.282 162 N C -0.826 174.729 175.510 0.074 0.000 1.171 162 N CA 0.562 53.661 53.050 0.082 0.000 0.733 162 N CB -0.596 37.942 38.487 0.086 0.000 0.910 162 N HN 0.034 nan 8.380 nan 0.000 0.548 163 V N -1.936 118.025 119.914 0.079 0.000 3.120 163 V HA 0.625 4.751 4.120 0.010 0.000 0.303 163 V C 0.131 176.300 176.094 0.125 0.000 1.238 163 V CA -1.064 61.287 62.300 0.086 0.000 1.008 163 V CB 2.057 33.917 31.823 0.062 0.000 1.064 163 V HN -0.066 nan 8.190 nan 0.000 0.434 164 V N 2.958 122.960 119.914 0.145 0.000 2.455 164 V HA 0.457 4.583 4.120 0.010 0.000 0.273 164 V C 0.333 176.560 176.094 0.221 0.000 1.045 164 V CA -0.269 62.147 62.300 0.194 0.000 0.976 164 V CB 0.826 32.761 31.823 0.187 0.000 0.993 164 V HN 0.727 nan 8.190 nan 0.000 0.475 165 V N 5.845 125.928 119.914 0.281 0.000 2.472 165 V HA 0.548 4.674 4.120 0.010 0.000 0.290 165 V C -0.008 176.330 176.094 0.406 0.000 1.037 165 V CA -0.422 62.077 62.300 0.331 0.000 0.908 165 V CB 1.857 33.849 31.823 0.282 0.000 0.985 165 V HN 0.657 nan 8.190 nan 0.000 0.454 166 V N 3.256 123.402 119.914 0.386 0.000 2.735 166 V HA 0.680 4.806 4.120 0.010 0.000 0.310 166 V C -0.031 176.285 176.094 0.369 0.000 1.061 166 V CA -0.558 61.945 62.300 0.339 0.000 0.913 166 V CB 2.437 34.404 31.823 0.240 0.000 1.005 166 V HN 0.985 nan 8.190 nan 0.000 0.428 167 T N 1.565 116.325 114.554 0.344 0.000 2.934 167 T HA 0.682 5.038 4.350 0.010 0.000 0.328 167 T C -0.589 174.260 174.700 0.248 0.000 1.068 167 T CA -0.436 61.884 62.100 0.367 0.000 1.018 167 T CB 0.506 69.638 68.868 0.441 0.000 1.009 167 T HN 0.652 nan 8.240 nan 0.000 0.471 168 I N 0.445 121.114 120.570 0.164 0.000 2.677 168 I HA 0.632 4.808 4.170 0.010 0.000 0.305 168 I C -0.094 176.189 176.117 0.278 0.000 0.988 168 I CA -0.884 60.471 61.300 0.092 0.000 1.260 168 I CB 1.080 39.021 38.000 -0.097 0.000 1.410 168 I HN 0.488 nan 8.210 nan 0.000 0.523 169 Q N 2.364 122.377 119.800 0.356 0.000 2.378 169 Q HA 0.586 4.932 4.340 0.010 0.000 0.276 169 Q C -1.780 174.587 176.000 0.612 0.000 1.083 169 Q CA -0.835 55.259 55.803 0.485 0.000 0.856 169 Q CB 2.621 31.562 28.738 0.338 0.000 1.383 169 Q HN 0.773 nan 8.270 nan 0.000 0.458 170 Y N -2.966 117.504 120.300 0.283 0.000 2.521 170 Y HA 0.432 4.987 4.550 0.009 0.000 0.326 170 Y C -1.037 174.944 175.900 0.136 0.000 1.176 170 Y CA -1.296 56.931 58.100 0.212 0.000 1.079 170 Y CB 0.473 39.037 38.460 0.174 0.000 1.341 170 Y HN 0.472 nan 8.280 nan 0.000 0.456 171 R N 2.453 122.971 120.500 0.031 0.000 2.678 171 R HA 0.353 4.699 4.340 0.010 0.000 0.264 171 R C -0.698 175.518 176.300 -0.140 0.000 0.995 171 R CA 0.491 56.557 56.100 -0.056 0.000 1.098 171 R CB 0.203 30.507 30.300 0.007 0.000 0.949 171 R HN 0.756 nan 8.270 nan 0.000 0.422 172 L N 0.394 121.603 121.223 -0.024 0.000 2.230 172 L HA 0.513 4.859 4.340 0.010 0.000 0.255 172 L C 1.130 178.158 176.870 0.263 0.000 1.039 172 L CA -0.666 54.224 54.840 0.084 0.000 0.846 172 L CB 1.355 43.445 42.059 0.052 0.000 1.419 172 L HN 0.888 nan 8.230 nan 0.000 0.435 173 G N 0.235 109.210 108.800 0.291 0.000 2.578 173 G HA2 -0.325 3.641 3.960 0.010 0.000 0.313 173 G HA3 -0.325 3.641 3.960 0.010 0.000 0.313 173 G C 0.869 175.914 174.900 0.242 0.000 1.324 173 G CA 0.624 45.864 45.100 0.234 0.000 0.955 173 G HN 0.672 nan 8.290 nan 0.000 0.541 174 I N -0.887 119.762 120.570 0.132 0.000 2.145 174 I HA -0.261 3.914 4.170 0.010 0.000 0.244 174 I C 2.773 179.038 176.117 0.247 0.000 1.075 174 I CA 2.569 63.932 61.300 0.104 0.000 1.332 174 I CB -0.347 37.525 38.000 -0.213 0.000 1.033 174 I HN 0.556 nan 8.210 nan 0.000 0.410 175 W N 0.617 122.037 121.300 0.200 0.000 2.331 175 W HA -0.122 4.538 4.660 0.000 0.000 0.291 175 W C 2.265 178.843 176.519 0.098 0.000 1.214 175 W CA 1.469 58.856 57.345 0.071 0.000 1.228 175 W CB -0.818 28.605 29.460 -0.063 0.000 1.135 175 W HN 0.261 nan 8.180 nan 0.000 0.537 176 G N -3.054 105.866 108.800 0.200 0.000 3.062 176 G HA2 0.116 4.082 3.960 0.010 0.000 0.228 176 G HA3 0.116 4.082 3.960 0.010 0.000 0.228 176 G C 0.447 174.875 174.900 -0.788 0.000 1.094 176 G CA -0.006 44.961 45.100 -0.223 0.000 0.782 176 G HN 0.073 nan 8.290 nan 0.000 0.541 177 F N -0.740 119.407 119.950 0.328 0.000 2.960 177 F HA 0.393 4.928 4.527 0.014 0.000 0.345 177 F C 0.063 175.929 175.800 0.110 0.000 1.147 177 F CA -2.034 56.022 58.000 0.092 0.000 1.099 177 F CB 0.024 39.011 39.000 -0.021 0.000 1.219 177 F HN 0.033 nan 8.300 nan 0.000 0.525 178 F N 2.164 122.261 119.950 0.246 0.000 2.533 178 F HA 0.436 4.968 4.527 0.008 0.000 0.378 178 F C 0.398 176.246 175.800 0.080 0.000 1.070 178 F CA 0.148 58.218 58.000 0.117 0.000 1.172 178 F CB 0.375 39.380 39.000 0.008 0.000 1.085 178 F HN -0.076 nan 8.300 nan 0.000 0.552 179 S N 3.465 118.812 115.700 -0.588 0.000 2.542 179 S HA 0.448 4.924 4.470 0.010 0.000 0.293 179 S C 0.542 174.708 174.600 -0.724 0.000 1.089 179 S CA -0.021 57.848 58.200 -0.553 0.000 0.961 179 S CB 1.578 64.597 63.200 -0.300 0.000 1.062 179 S HN 0.806 nan 8.310 nan 0.000 0.483 180 T N -0.000 114.254 114.554 -0.499 0.000 3.001 180 T HA 0.409 4.765 4.350 0.010 0.000 0.251 180 T C 1.336 175.939 174.700 -0.162 0.000 1.040 180 T CA 0.694 62.594 62.100 -0.333 0.000 0.985 180 T CB 0.097 68.859 68.868 -0.178 0.000 1.011 180 T HN 1.742 nan 8.240 nan 0.000 0.509 181 G N 1.797 110.511 108.800 -0.143 0.000 2.141 181 G HA2 -0.115 3.850 3.960 0.010 0.000 0.231 181 G HA3 -0.115 3.850 3.960 0.010 0.000 0.231 181 G C -0.485 174.380 174.900 -0.058 0.000 0.984 181 G CA 0.064 45.109 45.100 -0.092 0.000 0.660 181 G HN 0.859 nan 8.290 nan 0.000 0.525 182 D N -1.596 118.779 120.400 -0.043 0.000 2.610 182 D HA 0.544 5.190 4.640 0.010 0.000 0.271 182 D C 1.242 177.510 176.300 -0.054 0.000 1.174 182 D CA -0.304 53.670 54.000 -0.044 0.000 0.949 182 D CB 0.375 41.170 40.800 -0.008 0.000 1.430 182 D HN 0.006 nan 8.370 nan 0.000 0.467 183 E N 0.297 120.414 120.200 -0.138 0.000 2.219 183 E HA -0.299 4.057 4.350 0.010 0.000 0.198 183 E C 0.937 177.515 176.600 -0.036 0.000 0.998 183 E CA 1.440 57.770 56.400 -0.116 0.000 0.818 183 E CB -0.569 29.021 29.700 -0.182 0.000 0.741 183 E HN 0.529 nan 8.360 nan 0.000 0.477 184 H N 0.635 119.757 119.070 0.088 0.000 2.489 184 H HA 0.076 4.636 4.556 0.007 0.000 0.293 184 H C 0.545 175.984 175.328 0.184 0.000 1.066 184 H CA 1.407 57.525 56.048 0.116 0.000 1.305 184 H CB 0.212 30.026 29.762 0.087 0.000 1.386 184 H HN 0.192 nan 8.280 nan 0.000 0.551 185 S N -0.618 115.254 115.700 0.287 0.000 2.862 185 S HA 0.176 4.652 4.470 0.010 0.000 0.148 185 S C 0.746 175.445 174.600 0.165 0.000 0.829 185 S CA -0.607 57.836 58.200 0.405 0.000 0.991 185 S CB 0.066 63.482 63.200 0.360 0.000 1.607 185 S HN 0.182 nan 8.310 nan 0.000 0.474 186 R N 1.581 122.132 120.500 0.084 0.000 2.096 186 R HA 0.222 4.568 4.340 0.010 0.000 0.240 186 R C 1.505 177.604 176.300 -0.336 0.000 1.139 186 R CA 1.391 57.417 56.100 -0.122 0.000 0.952 186 R CB -0.328 29.908 30.300 -0.106 0.000 0.854 186 R HN 0.936 nan 8.270 nan 0.000 0.436 187 G N -0.855 107.454 108.800 -0.819 0.000 2.483 187 G HA2 -0.193 3.772 3.960 0.010 0.000 0.521 187 G HA3 -0.193 3.772 3.960 0.010 0.000 0.521 187 G C -0.692 173.539 174.900 -1.115 0.000 1.278 187 G CA -0.386 44.050 45.100 -1.106 0.000 0.965 187 G HN 0.261 nan 8.290 nan 0.000 0.504 188 N N -1.238 117.116 118.700 -0.577 0.000 2.782 188 N HA -0.200 4.545 4.740 0.010 0.000 0.251 188 N C 1.298 176.710 175.510 -0.163 0.000 1.101 188 N CA 1.895 54.876 53.050 -0.115 0.000 0.764 188 N CB -1.548 36.959 38.487 0.034 0.000 1.122 188 N HN 0.725 nan 8.380 nan 0.000 0.561 189 W N 0.674 121.966 121.300 -0.013 0.000 2.305 189 W HA -0.172 4.506 4.660 0.029 0.000 0.308 189 W C 2.486 178.950 176.519 -0.091 0.000 1.226 189 W CA 0.894 58.215 57.345 -0.040 0.000 1.253 189 W CB -0.726 28.708 29.460 -0.043 0.000 1.146 189 W HN 0.302 nan 8.180 nan 0.000 0.507 190 G N -0.491 108.165 108.800 -0.239 0.000 2.422 190 G HA2 -0.253 3.713 3.960 0.010 0.000 0.218 190 G HA3 -0.253 3.713 3.960 0.010 0.000 0.218 190 G C 1.208 176.254 174.900 0.242 0.000 1.146 190 G CA 1.320 46.388 45.100 -0.053 0.000 0.769 190 G HN 0.279 nan 8.290 nan 0.000 0.547 191 H N 0.331 119.564 119.070 0.271 0.000 2.333 191 H HA 0.129 4.691 4.556 0.010 0.000 0.302 191 H C 2.748 178.145 175.328 0.114 0.000 1.075 191 H CA 0.638 56.774 56.048 0.146 0.000 1.348 191 H CB -0.513 29.329 29.762 0.134 0.000 1.393 191 H HN 0.241 nan 8.280 nan 0.000 0.509 192 L N 0.566 121.953 121.223 0.274 0.000 2.261 192 L HA -0.194 4.152 4.340 0.010 0.000 0.216 192 L C 1.894 178.911 176.870 0.245 0.000 1.114 192 L CA 0.964 55.942 54.840 0.231 0.000 0.777 192 L CB -0.196 42.017 42.059 0.257 0.000 0.910 192 L HN 0.168 nan 8.230 nan 0.000 0.440 193 D N -0.230 120.336 120.400 0.276 0.000 2.107 193 D HA -0.151 4.494 4.640 0.010 0.000 0.204 193 D C 2.198 178.694 176.300 0.326 0.000 0.978 193 D CA 0.951 55.165 54.000 0.357 0.000 0.852 193 D CB -0.354 40.683 40.800 0.395 0.000 1.008 193 D HN 0.300 nan 8.370 nan 0.000 0.458 194 Q N 0.396 120.314 119.800 0.197 0.000 2.268 194 Q HA -0.169 4.177 4.340 0.010 0.000 0.213 194 Q C 2.237 178.250 176.000 0.021 0.000 0.995 194 Q CA 1.120 56.931 55.803 0.013 0.000 0.901 194 Q CB -0.188 28.473 28.738 -0.128 0.000 0.921 194 Q HN 0.156 nan 8.270 nan 0.000 0.421 195 V N 0.595 120.566 119.914 0.095 0.000 2.255 195 V HA -0.234 3.892 4.120 0.010 0.000 0.243 195 V C 2.272 178.451 176.094 0.141 0.000 1.038 195 V CA 1.676 64.034 62.300 0.096 0.000 1.008 195 V CB -1.039 30.853 31.823 0.116 0.000 0.645 195 V HN 0.455 nan 8.190 nan 0.000 0.449 196 A N -0.021 122.938 122.820 0.232 0.000 1.986 196 A HA -0.217 4.109 4.320 0.010 0.000 0.220 196 A C 2.341 180.131 177.584 0.342 0.000 1.171 196 A CA 2.387 54.618 52.037 0.323 0.000 0.640 196 A CB -0.703 18.546 19.000 0.414 0.000 0.811 196 A HN 0.608 nan 8.150 nan 0.000 0.451 197 A N -0.556 122.316 122.820 0.086 0.000 1.897 197 A HA 0.080 4.406 4.320 0.010 0.000 0.215 197 A C 2.138 179.683 177.584 -0.065 0.000 1.181 197 A CA 1.260 53.015 52.037 -0.470 0.000 0.620 197 A CB -0.514 17.884 19.000 -1.003 0.000 0.821 197 A HN 0.453 nan 8.150 nan 0.000 0.443 198 L N -0.630 120.592 121.223 -0.002 0.000 2.083 198 L HA -0.214 4.131 4.340 0.010 0.000 0.209 198 L C 2.905 179.842 176.870 0.111 0.000 1.083 198 L CA 1.260 56.134 54.840 0.058 0.000 0.752 198 L CB -0.448 41.640 42.059 0.048 0.000 0.899 198 L HN 0.375 nan 8.230 nan 0.000 0.433 199 R N -0.977 119.603 120.500 0.134 0.000 2.080 199 R HA -0.250 4.096 4.340 0.010 0.000 0.236 199 R C 2.063 178.456 176.300 0.154 0.000 1.137 199 R CA 2.107 58.287 56.100 0.133 0.000 0.943 199 R CB -0.936 29.457 30.300 0.154 0.000 0.846 199 R HN 0.429 nan 8.270 nan 0.000 0.431 200 W N 1.666 123.002 121.300 0.058 0.000 2.331 200 W HA -0.235 4.430 4.660 0.009 0.000 0.291 200 W C 1.860 178.394 176.519 0.025 0.000 1.214 200 W CA 1.357 58.739 57.345 0.061 0.000 1.228 200 W CB -0.087 29.442 29.460 0.116 0.000 1.135 200 W HN -0.199 nan 8.180 nan 0.000 0.537 201 V N 0.783 120.847 119.914 0.250 0.000 2.295 201 V HA -0.343 3.783 4.120 0.010 0.000 0.246 201 V C 2.543 178.609 176.094 -0.046 0.000 1.049 201 V CA 2.145 64.521 62.300 0.127 0.000 1.024 201 V CB -0.990 30.937 31.823 0.174 0.000 0.648 201 V HN 0.168 nan 8.190 nan 0.000 0.447 202 Q N -0.005 119.789 119.800 -0.011 0.000 2.170 202 Q HA -0.170 4.176 4.340 0.010 0.000 0.203 202 Q C 1.637 177.573 176.000 -0.107 0.000 0.976 202 Q CA 1.402 57.189 55.803 -0.028 0.000 0.858 202 Q CB -0.494 28.247 28.738 0.004 0.000 0.907 202 Q HN 0.692 nan 8.270 nan 0.000 0.433 203 D N -0.705 119.578 120.400 -0.195 0.000 2.349 203 D HA 0.068 4.713 4.640 0.010 0.000 0.214 203 D C 0.789 176.853 176.300 -0.393 0.000 1.063 203 D CA 0.101 53.949 54.000 -0.253 0.000 0.847 203 D CB 0.367 41.028 40.800 -0.232 0.000 0.933 203 D HN 0.212 nan 8.370 nan 0.000 0.513 204 N N 0.042 118.419 118.700 -0.539 0.000 2.354 204 N HA 0.001 4.747 4.740 0.010 0.000 0.253 204 N C 1.618 176.971 175.510 -0.261 0.000 1.096 204 N CA -0.263 52.425 53.050 -0.604 0.000 0.820 204 N CB 0.635 38.248 38.487 -1.457 0.000 1.610 204 N HN -0.067 nan 8.380 nan 0.000 0.501 205 I N 2.905 123.339 120.570 -0.227 0.000 2.358 205 I HA -0.279 3.897 4.170 0.010 0.000 0.257 205 I C 2.067 178.264 176.117 0.133 0.000 1.123 205 I CA 0.960 62.291 61.300 0.051 0.000 1.393 205 I CB -0.295 37.736 38.000 0.053 0.000 1.073 205 I HN 0.167 nan 8.210 nan 0.000 0.437 206 A N -1.290 121.544 122.820 0.023 0.000 1.908 206 A HA -0.198 4.128 4.320 0.010 0.000 0.218 206 A C 2.383 179.970 177.584 0.004 0.000 1.181 206 A CA 2.054 54.097 52.037 0.010 0.000 0.627 206 A CB -0.943 18.034 19.000 -0.039 0.000 0.818 206 A HN 0.438 nan 8.150 nan 0.000 0.445 207 S N -1.395 114.278 115.700 -0.045 0.000 2.607 207 S HA 0.142 4.618 4.470 0.010 0.000 0.224 207 S C 0.112 174.523 174.600 -0.313 0.000 0.969 207 S CA 0.274 58.354 58.200 -0.200 0.000 0.927 207 S CB -0.411 62.591 63.200 -0.330 0.000 0.772 207 S HN 0.509 nan 8.310 nan 0.000 0.533 208 F N 0.432 120.367 119.950 -0.025 0.000 2.791 208 F HA 0.369 4.901 4.527 0.009 0.000 0.308 208 F C 1.479 177.324 175.800 0.075 0.000 1.138 208 F CA -0.290 57.725 58.000 0.025 0.000 1.294 208 F CB 0.334 39.349 39.000 0.024 0.000 0.975 208 F HN 0.169 nan 8.300 nan 0.000 0.512 209 G N 0.231 109.132 108.800 0.168 0.000 2.184 209 G HA2 -0.231 3.734 3.960 0.010 0.000 0.264 209 G HA3 -0.231 3.734 3.960 0.010 0.000 0.264 209 G C 0.709 175.685 174.900 0.127 0.000 0.975 209 G CA -0.053 45.129 45.100 0.137 0.000 0.642 209 G HN 0.775 nan 8.290 nan 0.000 0.536 210 G N -0.616 108.271 108.800 0.144 0.000 2.477 210 G HA2 0.491 4.456 3.960 0.010 0.000 0.304 210 G HA3 0.491 4.456 3.960 0.010 0.000 0.304 210 G C -0.330 174.611 174.900 0.068 0.000 1.175 210 G CA 0.017 45.185 45.100 0.114 0.000 0.907 210 G HN 0.521 nan 8.290 nan 0.000 0.509 211 N N 0.880 119.611 118.700 0.051 0.000 2.546 211 N HA 0.317 5.063 4.740 0.010 0.000 0.238 211 N C -1.167 174.358 175.510 0.025 0.000 0.984 211 N CA -2.477 50.585 53.050 0.019 0.000 0.935 211 N CB 2.119 40.602 38.487 -0.006 0.000 1.122 211 N HN 0.091 nan 8.380 nan 0.000 0.510 212 P HA -0.050 nan 4.420 nan 0.000 0.223 212 P C 0.928 178.279 177.300 0.085 0.000 1.144 212 P CA 0.815 63.945 63.100 0.050 0.000 0.783 212 P CB 0.176 31.884 31.700 0.014 0.000 0.771 213 G N -0.899 107.891 108.800 -0.017 0.000 2.880 213 G HA2 -0.033 3.933 3.960 0.010 0.000 0.209 213 G HA3 -0.033 3.933 3.960 0.010 0.000 0.209 213 G C 0.832 175.406 174.900 -0.544 0.000 1.157 213 G CA 0.165 45.156 45.100 -0.181 0.000 0.779 213 G HN 0.329 nan 8.290 nan 0.000 0.539 214 S N 0.460 116.043 115.700 -0.196 0.000 2.204 214 S HA 0.447 4.923 4.470 0.010 0.000 0.178 214 S C -0.246 174.413 174.600 0.099 0.000 1.493 214 S CA -0.497 57.617 58.200 -0.144 0.000 1.266 214 S CB 0.057 63.182 63.200 -0.125 0.000 1.232 214 S HN 0.006 nan 8.310 nan 0.000 0.406 215 V N 2.331 122.459 119.914 0.357 0.000 2.546 215 V HA 0.524 4.650 4.120 0.010 0.000 0.284 215 V C 0.346 176.579 176.094 0.232 0.000 1.050 215 V CA -0.316 62.143 62.300 0.265 0.000 0.981 215 V CB 1.490 33.467 31.823 0.256 0.000 0.990 215 V HN 0.535 nan 8.190 nan 0.000 0.474 216 T N 5.674 120.325 114.554 0.161 0.000 2.890 216 T HA 0.558 4.913 4.350 0.010 0.000 0.295 216 T C -0.289 174.526 174.700 0.192 0.000 0.993 216 T CA -0.237 61.936 62.100 0.122 0.000 0.979 216 T CB 0.890 69.745 68.868 -0.022 0.000 0.967 216 T HN 0.650 nan 8.240 nan 0.000 0.441 217 I N 1.356 122.030 120.570 0.174 0.000 2.428 217 I HA 0.923 5.099 4.170 0.010 0.000 0.296 217 I C -0.905 175.428 176.117 0.360 0.000 0.985 217 I CA -0.970 60.443 61.300 0.189 0.000 1.260 217 I CB 1.022 38.923 38.000 -0.165 0.000 1.389 217 I HN 0.532 nan 8.210 nan 0.000 0.484 218 F N 2.296 122.259 119.950 0.021 0.000 2.688 218 F HA 0.939 5.472 4.527 0.010 0.000 0.308 218 F C -0.654 175.088 175.800 -0.097 0.000 1.117 218 F CA -1.361 56.686 58.000 0.079 0.000 0.976 218 F CB 1.113 40.267 39.000 0.257 0.000 1.291 218 F HN 0.845 nan 8.300 nan 0.000 0.439 219 G N 1.242 109.905 108.800 -0.229 0.000 2.732 219 G HA2 0.472 4.437 3.960 0.010 0.000 0.296 219 G HA3 0.472 4.437 3.960 0.010 0.000 0.296 219 G C -2.411 172.284 174.900 -0.342 0.000 1.448 219 G CA -0.790 43.754 45.100 -0.928 0.000 0.911 219 G HN 0.804 nan 8.290 nan 0.000 0.528 220 E N 0.720 120.735 120.200 -0.308 0.000 2.242 220 E HA 0.584 4.940 4.350 0.010 0.000 0.275 220 E C 0.890 177.517 176.600 0.046 0.000 1.002 220 E CA 0.599 57.022 56.400 0.039 0.000 0.841 220 E CB 1.832 31.645 29.700 0.188 0.000 1.109 220 E HN 0.811 nan 8.360 nan 0.000 0.394 221 S N 2.821 118.610 115.700 0.148 0.000 4.114 221 S HA -0.397 4.079 4.470 0.010 0.000 0.618 221 S C 1.457 176.176 174.600 0.199 0.000 1.937 221 S CA 1.887 60.297 58.200 0.350 0.000 4.228 221 S CB -1.547 61.983 63.200 0.551 0.000 0.216 221 S HN 0.842 nan 8.310 nan 0.000 0.528 222 A N 1.174 124.099 122.820 0.176 0.000 1.940 222 A HA 0.135 4.460 4.320 0.010 0.000 0.219 222 A C 2.637 180.206 177.584 -0.026 0.000 1.176 222 A CA 2.613 54.692 52.037 0.070 0.000 0.631 222 A CB -1.740 17.311 19.000 0.085 0.000 0.814 222 A HN 1.735 nan 8.150 nan 0.000 0.446 223 G N -0.501 108.242 108.800 -0.094 0.000 2.446 223 G HA2 -0.028 3.938 3.960 0.010 0.000 0.217 223 G HA3 -0.028 3.938 3.960 0.010 0.000 0.217 223 G C 1.552 176.299 174.900 -0.255 0.000 1.168 223 G CA 1.310 46.224 45.100 -0.310 0.000 0.771 223 G HN 0.717 nan 8.290 nan 0.000 0.551 224 G N 0.400 109.123 108.800 -0.130 0.000 2.421 224 G HA2 -0.216 3.750 3.960 0.010 0.000 0.216 224 G HA3 -0.216 3.750 3.960 0.010 0.000 0.216 224 G C 1.578 176.455 174.900 -0.039 0.000 1.171 224 G CA 1.199 46.269 45.100 -0.051 0.000 0.775 224 G HN 0.469 nan 8.290 nan 0.000 0.543 225 E N 1.007 121.190 120.200 -0.028 0.000 2.118 225 E HA -0.144 4.212 4.350 0.010 0.000 0.195 225 E C 2.525 179.065 176.600 -0.099 0.000 0.992 225 E CA 1.421 57.793 56.400 -0.047 0.000 0.804 225 E CB -0.276 29.398 29.700 -0.043 0.000 0.741 225 E HN 0.386 nan 8.360 nan 0.000 0.458 226 S N 0.227 115.857 115.700 -0.116 0.000 2.382 226 S HA -0.128 4.347 4.470 0.010 0.000 0.228 226 S C 2.151 176.602 174.600 -0.249 0.000 1.027 226 S CA 1.205 59.291 58.200 -0.190 0.000 0.991 226 S CB -0.260 62.813 63.200 -0.213 0.000 0.823 226 S HN 0.142 nan 8.310 nan 0.000 0.469 227 V N 1.436 121.232 119.914 -0.197 0.000 2.237 227 V HA -0.164 3.961 4.120 0.010 0.000 0.245 227 V C 2.600 178.600 176.094 -0.157 0.000 1.046 227 V CA 2.001 64.186 62.300 -0.193 0.000 1.007 227 V CB -1.035 30.751 31.823 -0.062 0.000 0.638 227 V HN 0.556 nan 8.190 nan 0.000 0.445 228 S N -0.560 115.116 115.700 -0.040 0.000 2.402 228 S HA -0.188 4.287 4.470 0.010 0.000 0.233 228 S C 1.874 176.410 174.600 -0.107 0.000 1.030 228 S CA 1.856 60.052 58.200 -0.006 0.000 1.003 228 S CB -0.246 62.990 63.200 0.060 0.000 0.813 228 S HN 0.339 nan 8.310 nan 0.000 0.477 229 V N 1.591 121.395 119.914 -0.184 0.000 2.407 229 V HA -0.054 4.072 4.120 0.010 0.000 0.245 229 V C 2.311 178.287 176.094 -0.197 0.000 1.041 229 V CA 1.479 63.635 62.300 -0.240 0.000 1.040 229 V CB -0.570 30.983 31.823 -0.451 0.000 0.671 229 V HN 0.460 nan 8.190 nan 0.000 0.455 230 L N -0.314 120.777 121.223 -0.220 0.000 2.017 230 L HA -0.164 4.182 4.340 0.010 0.000 0.208 230 L C 2.511 179.428 176.870 0.078 0.000 1.073 230 L CA 1.286 56.044 54.840 -0.137 0.000 0.745 230 L CB -0.762 41.092 42.059 -0.342 0.000 0.894 230 L HN 0.196 nan 8.230 nan 0.000 0.432 231 V N 0.259 120.202 119.914 0.050 0.000 2.392 231 V HA -0.278 3.848 4.120 0.010 0.000 0.249 231 V C 2.168 178.365 176.094 0.172 0.000 1.059 231 V CA 1.623 64.049 62.300 0.211 0.000 1.051 231 V CB -0.402 31.323 31.823 -0.163 0.000 0.658 231 V HN 0.397 nan 8.190 nan 0.000 0.455 232 L N -0.684 120.554 121.223 0.026 0.000 2.558 232 L HA 0.153 4.499 4.340 0.010 0.000 0.225 232 L C 1.164 177.956 176.870 -0.130 0.000 1.128 232 L CA 0.154 54.958 54.840 -0.060 0.000 0.868 232 L CB 0.009 42.011 42.059 -0.095 0.000 1.006 232 L HN 0.223 nan 8.230 nan 0.000 0.454 233 S N -0.107 115.589 115.700 -0.006 0.000 2.525 233 S HA 0.302 4.777 4.470 0.010 0.000 0.278 233 S C -1.719 172.982 174.600 0.167 0.000 1.234 233 S CA -1.387 56.813 58.200 0.000 0.000 1.058 233 S CB 1.429 64.628 63.200 -0.002 0.000 0.983 233 S HN -0.131 nan 8.310 nan 0.000 0.495 234 P HA 0.044 nan 4.420 nan 0.000 0.220 234 P C 1.220 178.650 177.300 0.216 0.000 1.152 234 P CA 0.693 64.027 63.100 0.389 0.000 0.812 234 P CB 0.094 31.926 31.700 0.220 0.000 0.792 235 L N -0.833 120.466 121.223 0.128 0.000 2.056 235 L HA -0.124 4.222 4.340 0.010 0.000 0.207 235 L C 2.439 179.367 176.870 0.096 0.000 1.078 235 L CA 1.538 56.433 54.840 0.092 0.000 0.749 235 L CB -1.377 40.728 42.059 0.078 0.000 0.901 235 L HN -0.050 nan 8.230 nan 0.000 0.433 236 A N 0.180 123.082 122.820 0.137 0.000 2.024 236 A HA -0.197 4.129 4.320 0.010 0.000 0.220 236 A C 1.387 179.080 177.584 0.182 0.000 1.164 236 A CA 0.636 52.799 52.037 0.210 0.000 0.643 236 A CB -0.486 18.681 19.000 0.279 0.000 0.806 236 A HN 0.322 nan 8.150 nan 0.000 0.451 237 K N 0.374 120.801 120.400 0.045 0.000 2.550 237 K HA -0.118 4.208 4.320 0.010 0.000 0.280 237 K C -0.048 176.368 176.600 -0.306 0.000 0.987 237 K CA 0.876 57.018 56.287 -0.242 0.000 1.048 237 K CB -0.029 32.293 32.500 -0.297 0.000 0.879 237 K HN 0.479 nan 8.250 nan 0.000 0.491 238 N N 1.925 120.317 118.700 -0.513 0.000 2.948 238 N HA -0.214 4.532 4.740 0.010 0.000 0.239 238 N C -0.012 175.332 175.510 -0.277 0.000 0.954 238 N CA 1.228 54.034 53.050 -0.407 0.000 0.941 238 N CB -1.008 37.315 38.487 -0.274 0.000 1.101 238 N HN 0.593 nan 8.380 nan 0.000 0.579 239 L N -0.409 120.705 121.223 -0.181 0.000 2.728 239 L HA 0.308 4.653 4.340 0.010 0.000 0.238 239 L C -0.154 176.805 176.870 0.148 0.000 1.143 239 L CA -0.040 54.819 54.840 0.031 0.000 0.937 239 L CB -0.030 42.119 42.059 0.151 0.000 1.225 239 L HN 0.176 nan 8.230 nan 0.000 0.507 240 F N -4.214 115.503 119.950 -0.387 0.000 2.769 240 F HA 0.366 4.899 4.527 0.009 0.000 0.313 240 F C -0.076 175.362 175.800 -0.603 0.000 1.146 240 F CA -1.055 56.718 58.000 -0.380 0.000 0.934 240 F CB 0.655 39.571 39.000 -0.141 0.000 1.283 240 F HN -0.101 nan 8.300 nan 0.000 0.443 241 H N 0.324 119.410 119.070 0.025 0.000 3.058 241 H HA 0.435 4.997 4.556 0.010 0.000 0.266 241 H C -0.483 174.814 175.328 -0.051 0.000 1.135 241 H CA -0.198 55.800 56.048 -0.083 0.000 1.174 241 H CB 0.849 30.566 29.762 -0.075 0.000 1.581 241 H HN 0.504 nan 8.280 nan 0.000 0.553 242 R N 0.541 121.133 120.500 0.153 0.000 2.594 242 R HA 0.694 5.040 4.340 0.010 0.000 0.265 242 R C -1.420 175.025 176.300 0.241 0.000 1.070 242 R CA -0.718 55.398 56.100 0.026 0.000 0.909 242 R CB 2.511 32.620 30.300 -0.320 0.000 1.243 242 R HN 0.083 nan 8.270 nan 0.000 0.455 243 A N 2.753 125.782 122.820 0.348 0.000 2.475 243 A HA 0.817 5.143 4.320 0.010 0.000 0.301 243 A C -0.961 176.911 177.584 0.479 0.000 1.059 243 A CA -0.730 51.519 52.037 0.353 0.000 0.710 243 A CB 1.373 20.482 19.000 0.181 0.000 1.288 243 A HN 0.645 nan 8.150 nan 0.000 0.408 244 I N 1.663 122.424 120.570 0.317 0.000 2.503 244 I HA 0.219 4.395 4.170 0.010 0.000 0.282 244 I C -0.254 175.981 176.117 0.197 0.000 1.059 244 I CA -0.122 61.273 61.300 0.159 0.000 1.081 244 I CB 2.174 40.194 38.000 0.033 0.000 1.210 244 I HN 0.484 nan 8.210 nan 0.000 0.450 245 S N 5.428 121.181 115.700 0.088 0.000 2.466 245 S HA 0.268 4.744 4.470 0.010 0.000 0.313 245 S C -0.150 174.477 174.600 0.045 0.000 1.078 245 S CA -0.580 57.658 58.200 0.064 0.000 1.115 245 S CB 0.192 63.404 63.200 0.021 0.000 1.006 245 S HN 0.459 nan 8.310 nan 0.000 0.487 246 E N 2.065 122.360 120.200 0.160 0.000 2.052 246 E HA 0.240 4.596 4.350 0.010 0.000 0.283 246 E C -0.249 176.419 176.600 0.114 0.000 1.071 246 E CA -0.437 56.090 56.400 0.211 0.000 0.851 246 E CB 0.527 30.456 29.700 0.383 0.000 1.066 246 E HN 0.634 nan 8.360 nan 0.000 0.396 247 S N 1.969 117.712 115.700 0.071 0.000 3.667 247 S HA -0.112 4.364 4.470 0.010 0.000 0.405 247 S C 0.112 174.952 174.600 0.401 0.000 0.913 247 S CA 0.312 58.595 58.200 0.138 0.000 1.288 247 S CB -1.359 61.780 63.200 -0.102 0.000 0.905 247 S HN 0.999 nan 8.310 nan 0.000 0.550 248 G N -0.958 108.029 108.800 0.311 0.000 2.088 248 G HA2 0.497 4.463 3.960 0.010 0.000 0.222 248 G HA3 0.497 4.463 3.960 0.010 0.000 0.222 248 G C -0.739 174.197 174.900 0.060 0.000 1.690 248 G CA 0.092 45.325 45.100 0.222 0.000 0.923 248 G HN 1.658 nan 8.290 nan 0.000 0.730 249 V N -0.173 119.735 119.914 -0.010 0.000 3.158 249 V HA 0.945 5.071 4.120 0.010 0.000 0.311 249 V C 1.306 177.363 176.094 -0.061 0.000 1.181 249 V CA -0.048 62.238 62.300 -0.023 0.000 1.054 249 V CB 1.431 33.234 31.823 -0.033 0.000 1.085 249 V HN 2.157 nan 8.190 nan 0.000 0.446 250 A N 0.129 122.918 122.820 -0.052 0.000 2.248 250 A HA 0.227 4.553 4.320 0.010 0.000 0.210 250 A C 1.388 178.912 177.584 -0.100 0.000 1.174 250 A CA 1.170 53.157 52.037 -0.083 0.000 0.750 250 A CB -0.793 18.160 19.000 -0.079 0.000 0.780 250 A HN 0.825 nan 8.150 nan 0.000 0.478 251 L N -0.102 121.056 121.223 -0.109 0.000 2.741 251 L HA 0.098 4.444 4.340 0.010 0.000 0.237 251 L C 0.018 176.770 176.870 -0.198 0.000 1.178 251 L CA -0.077 54.678 54.840 -0.142 0.000 0.973 251 L CB 0.284 42.264 42.059 -0.132 0.000 1.255 251 L HN 0.085 nan 8.230 nan 0.000 0.498 252 T N -0.242 114.191 114.554 -0.201 0.000 3.579 252 T HA 0.048 4.404 4.350 0.010 0.000 0.328 252 T C 1.503 176.065 174.700 -0.231 0.000 1.481 252 T CA 0.254 62.193 62.100 -0.269 0.000 1.144 252 T CB 0.447 69.144 68.868 -0.285 0.000 1.205 252 T HN 0.442 nan 8.240 nan 0.000 0.812 253 S N 2.141 117.706 115.700 -0.225 0.000 2.451 253 S HA -0.259 4.217 4.470 0.010 0.000 0.272 253 S C 2.134 176.637 174.600 -0.163 0.000 1.136 253 S CA 1.824 59.915 58.200 -0.182 0.000 1.209 253 S CB -1.193 61.897 63.200 -0.184 0.000 1.130 253 S HN 0.478 nan 8.310 nan 0.000 0.440 254 V N 1.741 121.549 119.914 -0.177 0.000 2.428 254 V HA -0.162 3.964 4.120 0.010 0.000 0.255 254 V C 2.154 178.168 176.094 -0.133 0.000 1.080 254 V CA 2.334 64.549 62.300 -0.142 0.000 1.083 254 V CB -0.570 31.171 31.823 -0.137 0.000 0.665 254 V HN 0.644 nan 8.190 nan 0.000 0.461 255 L N -0.757 120.377 121.223 -0.149 0.000 2.529 255 L HA 0.176 4.522 4.340 0.010 0.000 0.223 255 L C 0.291 177.061 176.870 -0.166 0.000 1.113 255 L CA -0.011 54.734 54.840 -0.159 0.000 0.861 255 L CB 0.453 42.427 42.059 -0.141 0.000 1.012 255 L HN 0.130 nan 8.230 nan 0.000 0.461 256 V N 0.703 120.534 119.914 -0.139 0.000 2.378 256 V HA 0.276 4.402 4.120 0.010 0.000 0.288 256 V C -0.081 175.950 176.094 -0.105 0.000 1.016 256 V CA -0.976 61.252 62.300 -0.120 0.000 0.840 256 V CB 1.605 33.364 31.823 -0.107 0.000 0.994 256 V HN -0.014 nan 8.190 nan 0.000 0.431 257 K N 4.857 125.198 120.400 -0.099 0.000 2.310 257 K HA 0.409 4.735 4.320 0.010 0.000 0.290 257 K C -0.177 176.384 176.600 -0.066 0.000 1.077 257 K CA -0.104 56.136 56.287 -0.078 0.000 0.922 257 K CB 1.019 33.472 32.500 -0.079 0.000 1.057 257 K HN 0.619 nan 8.250 nan 0.000 0.479 258 K N 0.680 121.048 120.400 -0.053 0.000 2.123 258 K HA 0.620 4.946 4.320 0.010 0.000 0.248 258 K C 0.509 177.091 176.600 -0.030 0.000 0.969 258 K CA -0.583 55.679 56.287 -0.042 0.000 0.882 258 K CB 1.410 33.888 32.500 -0.037 0.000 1.080 258 K HN 0.717 nan 8.250 nan 0.000 0.441 259 G N 1.414 110.198 108.800 -0.027 0.000 2.508 259 G HA2 -0.233 3.733 3.960 0.010 0.000 0.220 259 G HA3 -0.233 3.733 3.960 0.010 0.000 0.220 259 G C -1.266 173.618 174.900 -0.027 0.000 1.287 259 G CA -0.430 44.659 45.100 -0.019 0.000 0.916 259 G HN 0.660 nan 8.290 nan 0.000 0.574 260 D N 0.496 120.883 120.400 -0.021 0.000 2.317 260 D HA 0.446 5.091 4.640 0.010 0.000 0.252 260 D C 1.722 178.001 176.300 -0.035 0.000 1.174 260 D CA 0.475 54.458 54.000 -0.028 0.000 0.866 260 D CB 1.387 42.176 40.800 -0.018 0.000 1.127 260 D HN 1.111 nan 8.370 nan 0.000 0.467 261 V N 2.082 121.964 119.914 -0.055 0.000 3.354 261 V HA 0.093 4.218 4.120 0.010 0.000 0.258 261 V C 2.110 178.156 176.094 -0.080 0.000 1.159 261 V CA 0.324 62.580 62.300 -0.073 0.000 1.125 261 V CB -0.354 31.404 31.823 -0.108 0.000 0.774 261 V HN 0.296 nan 8.190 nan 0.000 0.464 262 K N 1.986 122.346 120.400 -0.067 0.000 2.089 262 K HA -0.100 4.226 4.320 0.010 0.000 0.210 262 K C -0.147 176.433 176.600 -0.033 0.000 1.048 262 K CA 2.442 58.695 56.287 -0.057 0.000 0.926 262 K CB -1.609 30.872 32.500 -0.032 0.000 0.714 262 K HN 0.442 nan 8.250 nan 0.000 0.448 263 P HA -0.182 nan 4.420 nan 0.000 0.215 263 P C 1.338 178.645 177.300 0.011 0.000 1.157 263 P CA 1.085 64.184 63.100 -0.001 0.000 0.868 263 P CB 0.008 31.707 31.700 -0.000 0.000 0.788 264 L N -1.191 120.036 121.223 0.007 0.000 2.083 264 L HA -0.176 4.170 4.340 0.010 0.000 0.209 264 L C 2.132 179.040 176.870 0.064 0.000 1.083 264 L CA 1.665 56.529 54.840 0.038 0.000 0.752 264 L CB -0.726 41.350 42.059 0.029 0.000 0.899 264 L HN -0.039 nan 8.230 nan 0.000 0.433 265 A N -0.262 122.564 122.820 0.011 0.000 1.898 265 A HA -0.219 4.107 4.320 0.010 0.000 0.216 265 A C 1.965 179.637 177.584 0.146 0.000 1.181 265 A CA 1.523 53.601 52.037 0.068 0.000 0.620 265 A CB -0.442 18.470 19.000 -0.146 0.000 0.819 265 A HN 0.545 nan 8.150 nan 0.000 0.442 266 E N -0.708 119.534 120.200 0.070 0.000 2.338 266 E HA -0.189 4.167 4.350 0.010 0.000 0.197 266 E C 2.054 178.688 176.600 0.058 0.000 1.007 266 E CA 0.893 57.330 56.400 0.061 0.000 0.849 266 E CB -0.067 29.652 29.700 0.032 0.000 0.774 266 E HN 0.761 nan 8.360 nan 0.000 0.506 267 Q N 0.352 120.192 119.800 0.066 0.000 2.089 267 Q HA -0.039 4.306 4.340 0.010 0.000 0.195 267 Q C 2.180 178.218 176.000 0.063 0.000 0.963 267 Q CA 0.548 56.383 55.803 0.053 0.000 0.834 267 Q CB 0.237 29.007 28.738 0.054 0.000 0.906 267 Q HN 0.264 nan 8.270 nan 0.000 0.452 268 I N 0.469 121.108 120.570 0.115 0.000 2.142 268 I HA -0.271 3.905 4.170 0.010 0.000 0.240 268 I C 2.450 178.589 176.117 0.038 0.000 1.078 268 I CA 0.988 62.352 61.300 0.107 0.000 1.343 268 I CB -0.515 37.608 38.000 0.206 0.000 1.046 268 I HN 0.207 nan 8.210 nan 0.000 0.405 269 A N 1.201 124.059 122.820 0.063 0.000 1.903 269 A HA -0.255 4.071 4.320 0.010 0.000 0.219 269 A C 2.343 179.923 177.584 -0.005 0.000 1.191 269 A CA 1.916 53.956 52.037 0.005 0.000 0.638 269 A CB -1.042 17.991 19.000 0.056 0.000 0.823 269 A HN 0.424 nan 8.150 nan 0.000 0.451 270 I N -0.735 119.842 120.570 0.012 0.000 2.286 270 I HA -0.211 3.964 4.170 0.010 0.000 0.248 270 I C 2.407 178.517 176.117 -0.011 0.000 1.115 270 I CA 1.817 63.117 61.300 0.001 0.000 1.392 270 I CB -0.432 37.572 38.000 0.006 0.000 1.065 270 I HN 0.294 nan 8.210 nan 0.000 0.418 271 T N 0.448 114.994 114.554 -0.014 0.000 2.951 271 T HA -0.010 4.346 4.350 0.010 0.000 0.268 271 T C 1.536 176.215 174.700 -0.036 0.000 1.073 271 T CA 1.161 63.244 62.100 -0.028 0.000 1.134 271 T CB -0.086 68.761 68.868 -0.035 0.000 0.884 271 T HN 0.426 nan 8.240 nan 0.000 0.479 272 A N 0.651 123.446 122.820 -0.042 0.000 2.337 272 A HA 0.565 4.890 4.320 0.010 0.000 0.227 272 A C 1.307 178.865 177.584 -0.043 0.000 1.259 272 A CA 0.234 52.238 52.037 -0.055 0.000 0.870 272 A CB -0.708 18.238 19.000 -0.090 0.000 0.927 272 A HN 0.603 nan 8.150 nan 0.000 0.497 273 G N -0.910 107.871 108.800 -0.031 0.000 2.438 273 G HA2 -0.142 3.824 3.960 0.010 0.000 0.272 273 G HA3 -0.142 3.824 3.960 0.010 0.000 0.272 273 G C -0.237 174.650 174.900 -0.022 0.000 0.991 273 G CA 0.147 45.234 45.100 -0.023 0.000 1.348 273 G HN 0.763 nan 8.290 nan 0.000 0.483 274 c N 0.928 119.518 118.600 -0.017 0.000 3.173 274 c HA 0.674 5.250 4.570 0.010 0.000 0.310 274 c C 0.347 174.438 174.090 0.001 0.000 1.306 274 c CA -1.291 55.031 56.329 -0.011 0.000 1.426 274 c CB 2.102 44.598 42.510 -0.024 0.000 1.800 274 c HN 0.817 nan 8.230 nan 0.000 0.470 275 K N 0.731 121.136 120.400 0.009 0.000 2.218 275 K HA 0.441 4.767 4.320 0.010 0.000 0.276 275 K C 0.626 177.236 176.600 0.017 0.000 1.022 275 K CA 0.109 56.403 56.287 0.012 0.000 0.946 275 K CB 0.553 33.061 32.500 0.014 0.000 1.000 275 K HN 0.816 nan 8.250 nan 0.000 0.468 276 T N -2.121 112.442 114.554 0.016 0.000 3.215 276 T HA 0.035 4.391 4.350 0.010 0.000 0.271 276 T C 1.168 175.877 174.700 0.015 0.000 1.012 276 T CA -0.382 61.732 62.100 0.022 0.000 0.899 276 T CB 0.076 68.958 68.868 0.024 0.000 1.089 276 T HN 0.405 nan 8.240 nan 0.000 0.552 277 T N 3.155 117.715 114.554 0.010 0.000 2.685 277 T HA -0.064 4.292 4.350 0.010 0.000 0.268 277 T C 1.154 175.855 174.700 0.003 0.000 1.034 277 T CA 2.003 64.105 62.100 0.004 0.000 1.149 277 T CB -0.321 68.546 68.868 -0.000 0.000 0.860 277 T HN 0.845 nan 8.240 nan 0.000 0.449 278 T N -2.466 112.087 114.554 -0.003 0.000 2.868 278 T HA 0.463 4.819 4.350 0.010 0.000 0.306 278 T C 0.910 175.602 174.700 -0.013 0.000 1.224 278 T CA -0.417 61.677 62.100 -0.009 0.000 1.012 278 T CB 1.792 70.639 68.868 -0.034 0.000 1.221 278 T HN -0.136 nan 8.240 nan 0.000 0.499 279 S N 0.879 116.581 115.700 0.002 0.000 2.368 279 S HA -0.033 4.443 4.470 0.010 0.000 0.225 279 S C 2.496 177.051 174.600 -0.074 0.000 1.030 279 S CA 1.123 59.340 58.200 0.028 0.000 0.999 279 S CB -0.922 62.352 63.200 0.123 0.000 0.844 279 S HN 1.014 nan 8.310 nan 0.000 0.459 280 A N 1.147 123.749 122.820 -0.363 0.000 1.978 280 A HA -0.037 4.288 4.320 0.010 0.000 0.220 280 A C 2.323 179.802 177.584 -0.174 0.000 1.170 280 A CA 1.465 53.154 52.037 -0.581 0.000 0.636 280 A CB -0.767 17.745 19.000 -0.814 0.000 0.810 280 A HN 0.364 nan 8.150 nan 0.000 0.448 281 V N -0.333 119.524 119.914 -0.095 0.000 2.346 281 V HA -0.249 3.877 4.120 0.010 0.000 0.244 281 V C 2.599 178.724 176.094 0.053 0.000 1.037 281 V CA 1.923 64.222 62.300 -0.003 0.000 1.029 281 V CB -0.625 31.192 31.823 -0.011 0.000 0.663 281 V HN 0.563 nan 8.190 nan 0.000 0.454 282 M N -0.474 119.153 119.600 0.045 0.000 2.082 282 M HA -0.207 4.279 4.480 0.010 0.000 0.258 282 M C 2.218 178.544 176.300 0.044 0.000 1.069 282 M CA 1.883 57.223 55.300 0.066 0.000 1.102 282 M CB -0.637 32.044 32.600 0.134 0.000 1.336 282 M HN 0.255 nan 8.290 nan 0.000 0.404 283 V N -0.478 119.489 119.914 0.089 0.000 2.233 283 V HA -0.326 3.800 4.120 0.010 0.000 0.247 283 V C 2.273 178.414 176.094 0.078 0.000 1.050 283 V CA 2.561 64.892 62.300 0.052 0.000 1.010 283 V CB -1.167 30.748 31.823 0.154 0.000 0.637 283 V HN 0.504 nan 8.190 nan 0.000 0.444 284 H N -0.692 118.395 119.070 0.028 0.000 2.357 284 H HA -0.275 4.275 4.556 -0.009 0.000 0.296 284 H C 2.343 177.683 175.328 0.019 0.000 1.108 284 H CA 2.455 58.520 56.048 0.028 0.000 1.273 284 H CB -0.617 29.146 29.762 0.002 0.000 1.367 284 H HN 0.502 nan 8.280 nan 0.000 0.498 285 c N -0.267 118.325 118.600 -0.013 0.000 2.446 285 c HA -0.039 4.537 4.570 0.010 0.000 0.277 285 c C 2.754 176.785 174.090 -0.098 0.000 1.275 285 c CA 0.901 57.191 56.329 -0.066 0.000 1.727 285 c CB -1.396 41.113 42.510 -0.001 0.000 2.010 285 c HN 0.666 nan 8.230 nan 0.000 0.486 286 L N 0.316 121.486 121.223 -0.088 0.000 2.275 286 L HA -0.033 4.313 4.340 0.010 0.000 0.215 286 L C 2.837 179.729 176.870 0.036 0.000 1.119 286 L CA 1.084 55.877 54.840 -0.078 0.000 0.790 286 L CB -0.591 41.312 42.059 -0.262 0.000 0.919 286 L HN 0.353 nan 8.230 nan 0.000 0.443 287 R N -0.655 119.868 120.500 0.037 0.000 2.236 287 R HA -0.080 4.266 4.340 0.010 0.000 0.208 287 R C 2.078 178.314 176.300 -0.108 0.000 1.036 287 R CA 0.473 56.560 56.100 -0.022 0.000 1.001 287 R CB 0.021 30.307 30.300 -0.022 0.000 0.896 287 R HN 0.379 nan 8.270 nan 0.000 0.464 288 Q N 0.875 120.587 119.800 -0.146 0.000 2.089 288 Q HA 0.033 4.379 4.340 0.010 0.000 0.195 288 Q C 0.337 176.293 176.000 -0.073 0.000 0.963 288 Q CA 0.865 56.590 55.803 -0.131 0.000 0.834 288 Q CB -0.019 28.627 28.738 -0.154 0.000 0.906 288 Q HN 0.009 nan 8.270 nan 0.000 0.452 289 K N 2.287 122.650 120.400 -0.062 0.000 2.591 289 K HA -0.037 4.289 4.320 0.010 0.000 0.280 289 K C 0.508 177.104 176.600 -0.008 0.000 0.964 289 K CA 0.346 56.612 56.287 -0.035 0.000 1.014 289 K CB -0.343 32.130 32.500 -0.045 0.000 0.877 289 K HN 0.341 nan 8.250 nan 0.000 0.502 290 T N -2.081 112.479 114.554 0.010 0.000 2.899 290 T HA 0.042 4.397 4.350 0.010 0.000 0.295 290 T C 1.306 176.062 174.700 0.093 0.000 1.033 290 T CA -0.627 61.492 62.100 0.032 0.000 1.084 290 T CB 1.255 70.136 68.868 0.021 0.000 0.979 290 T HN 0.600 nan 8.240 nan 0.000 0.532 291 E N 0.796 121.073 120.200 0.129 0.000 2.147 291 E HA -0.295 4.061 4.350 0.010 0.000 0.199 291 E C 1.526 178.296 176.600 0.284 0.000 1.005 291 E CA 1.833 58.398 56.400 0.276 0.000 0.810 291 E CB -0.028 29.717 29.700 0.076 0.000 0.736 291 E HN 0.822 nan 8.360 nan 0.000 0.460 292 E N 0.425 120.706 120.200 0.135 0.000 2.107 292 E HA -0.128 4.227 4.350 0.010 0.000 0.191 292 E C 1.892 178.555 176.600 0.105 0.000 0.982 292 E CA 1.133 57.600 56.400 0.112 0.000 0.809 292 E CB 0.039 29.771 29.700 0.053 0.000 0.756 292 E HN 0.357 nan 8.360 nan 0.000 0.459 293 E N 0.209 120.454 120.200 0.074 0.000 2.038 293 E HA -0.186 4.169 4.350 0.010 0.000 0.195 293 E C 2.122 178.737 176.600 0.024 0.000 1.000 293 E CA 0.952 57.373 56.400 0.035 0.000 0.803 293 E CB -0.196 29.510 29.700 0.010 0.000 0.750 293 E HN 0.256 nan 8.360 nan 0.000 0.448 294 L N 0.605 121.843 121.223 0.025 0.000 2.079 294 L HA -0.198 4.148 4.340 0.010 0.000 0.210 294 L C 2.651 179.489 176.870 -0.053 0.000 1.081 294 L CA 0.558 55.330 54.840 -0.113 0.000 0.752 294 L CB -0.430 41.420 42.059 -0.349 0.000 0.896 294 L HN 0.206 nan 8.230 nan 0.000 0.433 295 L N 0.103 121.448 121.223 0.204 0.000 2.046 295 L HA -0.209 4.137 4.340 0.010 0.000 0.208 295 L C 2.426 179.368 176.870 0.121 0.000 1.077 295 L CA 1.714 56.722 54.840 0.280 0.000 0.747 295 L CB -0.559 41.694 42.059 0.323 0.000 0.896 295 L HN 0.211 nan 8.230 nan 0.000 0.432 296 E N -0.974 119.270 120.200 0.073 0.000 2.049 296 E HA -0.255 4.101 4.350 0.010 0.000 0.198 296 E C 1.912 178.515 176.600 0.004 0.000 1.007 296 E CA 2.184 58.603 56.400 0.031 0.000 0.809 296 E CB -0.349 29.360 29.700 0.015 0.000 0.749 296 E HN 0.576 nan 8.360 nan 0.000 0.450 297 T N 0.690 115.235 114.554 -0.016 0.000 2.699 297 T HA -0.170 4.186 4.350 0.010 0.000 0.268 297 T C 1.981 176.662 174.700 -0.032 0.000 1.036 297 T CA 1.852 63.927 62.100 -0.041 0.000 1.147 297 T CB -0.574 68.256 68.868 -0.063 0.000 0.862 297 T HN 0.199 nan 8.240 nan 0.000 0.446 298 T N 2.112 116.681 114.554 0.025 0.000 2.881 298 T HA 0.071 4.427 4.350 0.010 0.000 0.270 298 T C 1.762 176.490 174.700 0.046 0.000 1.068 298 T CA 0.764 62.937 62.100 0.122 0.000 1.131 298 T CB -0.272 68.722 68.868 0.210 0.000 0.871 298 T HN 0.334 nan 8.240 nan 0.000 0.479 299 L N -0.293 120.939 121.223 0.015 0.000 2.477 299 L HA 0.186 4.532 4.340 0.010 0.000 0.220 299 L C 2.488 179.316 176.870 -0.070 0.000 1.106 299 L CA 0.572 55.406 54.840 -0.010 0.000 0.851 299 L CB -0.211 41.857 42.059 0.015 0.000 0.994 299 L HN 0.120 nan 8.230 nan 0.000 0.462 300 K N -0.109 120.235 120.400 -0.094 0.000 2.137 300 K HA 0.031 4.357 4.320 0.010 0.000 0.202 300 K C 2.105 178.587 176.600 -0.196 0.000 1.052 300 K CA 0.754 56.973 56.287 -0.113 0.000 0.961 300 K CB 0.123 32.573 32.500 -0.084 0.000 0.741 300 K HN 0.187 nan 8.250 nan 0.000 0.452 301 M N 0.996 120.397 119.600 -0.331 0.000 2.159 301 M HA -0.103 4.383 4.480 0.010 0.000 0.263 301 M C 0.214 176.162 176.300 -0.586 0.000 1.063 301 M CA 1.285 56.229 55.300 -0.592 0.000 1.110 301 M CB -0.748 31.095 32.600 -1.261 0.000 1.374 301 M HN 0.092 nan 8.290 nan 0.000 0.411 302 K N 0.050 120.175 120.400 -0.459 0.000 3.353 302 K HA -0.156 4.170 4.320 0.010 0.000 0.272 302 K C -0.625 175.864 176.600 -0.185 0.000 1.071 302 K CA 0.001 56.145 56.287 -0.239 0.000 0.789 302 K CB -2.249 30.160 32.500 -0.151 0.000 1.325 302 K HN 0.171 nan 8.250 nan 0.000 0.464 303 F N 0.136 120.103 119.950 0.029 0.000 2.390 303 F HA 0.189 4.721 4.527 0.008 0.000 0.307 303 F C 1.995 177.817 175.800 0.037 0.000 1.227 303 F CA -0.268 57.753 58.000 0.036 0.000 1.179 303 F CB 0.252 39.283 39.000 0.050 0.000 1.280 303 F HN 0.164 nan 8.300 nan 0.000 0.548 304 L N 0.073 121.459 121.223 0.272 0.000 4.988 304 L HA -0.274 4.071 4.340 0.010 0.000 0.439 304 L C -0.075 176.867 176.870 0.121 0.000 1.080 304 L CA 1.433 56.368 54.840 0.159 0.000 1.018 304 L CB -1.881 40.259 42.059 0.135 0.000 1.945 304 L HN 0.611 nan 8.230 nan 0.000 0.782 305 S N -0.992 114.775 115.700 0.111 0.000 2.500 305 S HA 0.695 5.171 4.470 0.010 0.000 0.301 305 S C -0.476 174.158 174.600 0.058 0.000 1.092 305 S CA -0.814 57.428 58.200 0.071 0.000 1.030 305 S CB 2.159 65.379 63.200 0.033 0.000 1.031 305 S HN 0.347 nan 8.310 nan 0.000 0.483 306 L N 2.715 123.963 121.223 0.042 0.000 2.456 306 L HA 0.346 4.692 4.340 0.010 0.000 0.277 306 L C -0.225 176.615 176.870 -0.050 0.000 1.124 306 L CA 0.255 55.090 54.840 -0.009 0.000 0.880 306 L CB 0.010 42.001 42.059 -0.113 0.000 1.192 306 L HN 0.773 nan 8.230 nan 0.000 0.463 307 D N 4.369 124.745 120.400 -0.041 0.000 2.348 307 D HA -0.009 4.636 4.640 0.010 0.000 0.259 307 D C 0.995 177.252 176.300 -0.072 0.000 1.296 307 D CA 0.354 54.322 54.000 -0.054 0.000 0.931 307 D CB 0.655 41.425 40.800 -0.050 0.000 1.067 307 D HN 0.673 nan 8.370 nan 0.000 0.503 308 L N 3.087 124.266 121.223 -0.072 0.000 2.217 308 L HA -0.045 4.300 4.340 0.010 0.000 0.211 308 L C 0.792 177.631 176.870 -0.052 0.000 1.107 308 L CA 0.696 55.493 54.840 -0.072 0.000 0.783 308 L CB 0.072 42.091 42.059 -0.067 0.000 0.919 308 L HN 0.526 nan 8.230 nan 0.000 0.442 309 Q N -1.253 118.518 119.800 -0.048 0.000 2.340 309 Q HA 0.616 4.962 4.340 0.010 0.000 0.268 309 Q C -0.291 175.681 176.000 -0.047 0.000 1.031 309 Q CA -0.215 55.565 55.803 -0.038 0.000 0.804 309 Q CB 2.237 30.958 28.738 -0.028 0.000 1.286 309 Q HN 0.100 nan 8.270 nan 0.000 0.448 310 G N 1.701 110.473 108.800 -0.046 0.000 2.233 310 G HA2 -0.056 3.909 3.960 0.010 0.000 0.162 310 G HA3 -0.056 3.909 3.960 0.010 0.000 0.162 310 G C -1.689 173.165 174.900 -0.078 0.000 1.327 310 G CA -0.284 44.782 45.100 -0.055 0.000 1.187 310 G HN 0.664 nan 8.290 nan 0.000 0.479 311 D N 1.096 121.430 120.400 -0.109 0.000 2.549 311 D HA 0.570 5.216 4.640 0.010 0.000 0.251 311 D C -1.635 174.511 176.300 -0.257 0.000 1.153 311 D CA -1.579 52.319 54.000 -0.169 0.000 0.861 311 D CB 2.384 43.109 40.800 -0.124 0.000 1.207 311 D HN -0.059 nan 8.370 nan 0.000 0.543 312 P HA -0.088 nan 4.420 nan 0.000 0.218 312 P C 1.028 178.104 177.300 -0.373 0.000 1.146 312 P CA 1.105 63.918 63.100 -0.479 0.000 0.813 312 P CB 0.489 31.629 31.700 -0.933 0.000 0.778 313 R N -0.438 119.752 120.500 -0.516 0.000 2.066 313 R HA 0.028 4.373 4.340 0.010 0.000 0.224 313 R C 2.049 178.286 176.300 -0.105 0.000 1.122 313 R CA 0.958 56.850 56.100 -0.346 0.000 0.974 313 R CB -0.516 29.500 30.300 -0.475 0.000 0.871 313 R HN 0.261 nan 8.270 nan 0.000 0.435 314 E N 0.778 120.907 120.200 -0.118 0.000 2.427 314 E HA -0.012 4.344 4.350 0.010 0.000 0.196 314 E C 0.098 176.677 176.600 -0.034 0.000 1.028 314 E CA 0.168 56.534 56.400 -0.056 0.000 0.864 314 E CB 0.303 29.968 29.700 -0.057 0.000 0.813 314 E HN -0.015 nan 8.360 nan 0.000 0.514 315 S N 1.753 117.424 115.700 -0.048 0.000 2.701 315 S HA 0.022 4.498 4.470 0.010 0.000 0.317 315 S C -0.195 174.420 174.600 0.026 0.000 1.149 315 S CA -0.642 57.545 58.200 -0.021 0.000 1.052 315 S CB 0.216 63.388 63.200 -0.047 0.000 1.257 315 S HN 0.018 nan 8.310 nan 0.000 0.532 316 Q N 6.914 126.748 119.800 0.055 0.000 2.263 316 Q HA 0.216 4.561 4.340 0.010 0.000 0.270 316 Q C -1.334 174.767 176.000 0.168 0.000 1.104 316 Q CA -1.338 54.528 55.803 0.104 0.000 0.909 316 Q CB 1.000 29.819 28.738 0.136 0.000 1.214 316 Q HN 0.381 nan 8.270 nan 0.000 0.400 317 P HA -0.040 nan 4.420 nan 0.000 0.216 317 P C -0.568 176.882 177.300 0.249 0.000 1.153 317 P CA 0.890 64.087 63.100 0.163 0.000 0.844 317 P CB 0.163 31.909 31.700 0.077 0.000 0.787 318 L N -3.589 117.679 121.223 0.075 0.000 2.902 318 L HA 0.365 4.711 4.340 0.010 0.000 0.261 318 L C -0.308 176.407 176.870 -0.257 0.000 0.928 318 L CA -1.251 53.438 54.840 -0.252 0.000 1.024 318 L CB 0.168 42.100 42.059 -0.212 0.000 1.629 318 L HN -0.181 nan 8.230 nan 0.000 0.478 319 L N 0.874 121.885 121.223 -0.354 0.000 2.499 319 L HA 0.920 5.265 4.340 0.010 0.000 0.281 319 L C 0.586 177.347 176.870 -0.181 0.000 1.234 319 L CA 0.814 55.558 54.840 -0.160 0.000 0.839 319 L CB -0.100 41.923 42.059 -0.060 0.000 1.104 319 L HN 0.972 nan 8.230 nan 0.000 0.500 320 G N 0.826 109.513 108.800 -0.189 0.000 2.604 320 G HA2 0.303 4.268 3.960 0.010 0.000 0.242 320 G HA3 0.303 4.268 3.960 0.010 0.000 0.242 320 G C -0.830 173.825 174.900 -0.408 0.000 1.208 320 G CA -0.389 44.425 45.100 -0.476 0.000 0.912 320 G HN 0.649 nan 8.290 nan 0.000 0.502 321 T N 0.667 114.966 114.554 -0.425 0.000 2.946 321 T HA 0.426 4.782 4.350 0.010 0.000 0.312 321 T C 0.473 175.123 174.700 -0.084 0.000 1.066 321 T CA 0.927 62.946 62.100 -0.135 0.000 1.138 321 T CB 0.635 69.505 68.868 0.002 0.000 1.014 321 T HN 1.496 nan 8.240 nan 0.000 0.544 322 V N 0.047 119.938 119.914 -0.038 0.000 3.182 322 V HA 0.581 4.706 4.120 0.010 0.000 0.308 322 V C -0.688 175.369 176.094 -0.061 0.000 1.240 322 V CA -1.329 60.931 62.300 -0.066 0.000 1.063 322 V CB 1.986 33.756 31.823 -0.089 0.000 1.076 322 V HN 0.610 nan 8.190 nan 0.000 0.446 323 I N 3.225 123.754 120.570 -0.069 0.000 2.224 323 I HA 0.245 4.421 4.170 0.010 0.000 0.293 323 I C 1.028 177.104 176.117 -0.069 0.000 1.155 323 I CA -0.036 61.224 61.300 -0.066 0.000 1.297 323 I CB -0.598 37.365 38.000 -0.061 0.000 1.487 323 I HN 0.959 nan 8.210 nan 0.000 0.564 324 D N 3.893 124.247 120.400 -0.076 0.000 2.097 324 D HA -0.122 4.524 4.640 0.010 0.000 0.197 324 D C 1.519 177.784 176.300 -0.059 0.000 0.984 324 D CA 1.626 55.575 54.000 -0.085 0.000 0.826 324 D CB 0.046 40.780 40.800 -0.110 0.000 0.973 324 D HN 0.611 nan 8.370 nan 0.000 0.460 325 G N -1.121 107.650 108.800 -0.047 0.000 2.205 325 G HA2 -0.183 3.782 3.960 0.010 0.000 0.180 325 G HA3 -0.183 3.782 3.960 0.010 0.000 0.180 325 G C 0.883 175.772 174.900 -0.019 0.000 1.004 325 G CA 0.429 45.509 45.100 -0.034 0.000 0.670 325 G HN 0.211 nan 8.290 nan 0.000 0.496 326 M N -1.119 118.471 119.600 -0.017 0.000 2.777 326 M HA 0.478 4.964 4.480 0.010 0.000 0.244 326 M C 2.044 178.349 176.300 0.009 0.000 1.457 326 M CA 0.963 56.267 55.300 0.007 0.000 1.174 326 M CB -0.540 32.073 32.600 0.023 0.000 1.321 326 M HN 0.264 nan 8.290 nan 0.000 0.546 327 L N -0.187 121.034 121.223 -0.004 0.000 2.388 327 L HA 0.366 4.712 4.340 0.010 0.000 0.209 327 L C -0.069 176.778 176.870 -0.039 0.000 1.061 327 L CA 0.820 55.657 54.840 -0.004 0.000 0.834 327 L CB 0.675 42.740 42.059 0.010 0.000 1.029 327 L HN 0.046 nan 8.230 nan 0.000 0.473 328 L N 0.464 121.657 121.223 -0.051 0.000 2.404 328 L HA 0.283 4.629 4.340 0.010 0.000 0.272 328 L C 0.076 176.906 176.870 -0.068 0.000 0.980 328 L CA -0.346 54.450 54.840 -0.074 0.000 0.836 328 L CB 2.076 44.087 42.059 -0.079 0.000 1.238 328 L HN 0.067 nan 8.230 nan 0.000 0.408 329 L N 3.151 124.328 121.223 -0.077 0.000 2.558 329 L HA 0.132 4.478 4.340 0.010 0.000 0.225 329 L C 0.453 177.283 176.870 -0.066 0.000 1.128 329 L CA 0.639 55.441 54.840 -0.064 0.000 0.868 329 L CB -0.189 41.832 42.059 -0.064 0.000 1.006 329 L HN 0.591 nan 8.230 nan 0.000 0.454 330 K N -2.053 118.301 120.400 -0.077 0.000 2.642 330 K HA 0.297 4.623 4.320 0.010 0.000 0.290 330 K C -0.600 175.955 176.600 -0.075 0.000 1.006 330 K CA -0.773 55.472 56.287 -0.070 0.000 0.869 330 K CB 0.465 32.925 32.500 -0.066 0.000 1.499 330 K HN -0.151 nan 8.250 nan 0.000 0.403 331 T N -1.444 113.071 114.554 -0.064 0.000 2.937 331 T HA 0.073 4.429 4.350 0.010 0.000 0.316 331 T C -1.854 172.802 174.700 -0.073 0.000 1.079 331 T CA -0.670 61.390 62.100 -0.066 0.000 1.131 331 T CB 0.224 69.059 68.868 -0.055 0.000 1.000 331 T HN 0.344 nan 8.240 nan 0.000 0.549 332 P HA -0.043 nan 4.420 nan 0.000 0.221 332 P C 1.050 178.313 177.300 -0.063 0.000 1.145 332 P CA 0.794 63.847 63.100 -0.077 0.000 0.795 332 P CB 0.040 31.692 31.700 -0.080 0.000 0.775 333 E N -0.543 119.621 120.200 -0.060 0.000 2.274 333 E HA -0.116 4.239 4.350 0.010 0.000 0.194 333 E C 1.498 178.074 176.600 -0.040 0.000 0.996 333 E CA 0.889 57.259 56.400 -0.049 0.000 0.840 333 E CB -0.489 29.182 29.700 -0.049 0.000 0.772 333 E HN 0.419 nan 8.360 nan 0.000 0.491 334 E N -0.535 119.637 120.200 -0.046 0.000 2.476 334 E HA 0.145 4.501 4.350 0.010 0.000 0.199 334 E C 1.439 178.007 176.600 -0.054 0.000 1.021 334 E CA -0.097 56.277 56.400 -0.043 0.000 0.907 334 E CB 0.347 30.022 29.700 -0.042 0.000 0.974 334 E HN 0.198 nan 8.360 nan 0.000 0.489 335 L N 0.456 121.638 121.223 -0.068 0.000 2.145 335 L HA -0.073 4.273 4.340 0.010 0.000 0.201 335 L C 2.277 179.106 176.870 -0.067 0.000 1.075 335 L CA 0.826 55.609 54.840 -0.095 0.000 0.773 335 L CB -0.117 41.866 42.059 -0.127 0.000 0.936 335 L HN 0.081 nan 8.230 nan 0.000 0.451 336 Q N 0.088 119.866 119.800 -0.037 0.000 2.181 336 Q HA -0.206 4.140 4.340 0.010 0.000 0.205 336 Q C 2.148 178.148 176.000 0.000 0.000 0.980 336 Q CA 1.495 57.297 55.803 -0.001 0.000 0.862 336 Q CB -0.265 28.482 28.738 0.015 0.000 0.905 336 Q HN 0.529 nan 8.270 nan 0.000 0.429 337 A N 1.139 123.952 122.820 -0.011 0.000 2.216 337 A HA -0.123 4.203 4.320 0.010 0.000 0.214 337 A C 0.859 178.439 177.584 -0.006 0.000 1.160 337 A CA 0.530 52.563 52.037 -0.006 0.000 0.725 337 A CB -0.069 18.924 19.000 -0.011 0.000 0.784 337 A HN 0.228 nan 8.150 nan 0.000 0.472 338 E N 0.026 120.219 120.200 -0.012 0.000 2.102 338 E HA 0.333 4.689 4.350 0.010 0.000 0.263 338 E C -0.155 176.457 176.600 0.021 0.000 0.894 338 E CA -0.635 55.763 56.400 -0.004 0.000 0.746 338 E CB 0.595 30.280 29.700 -0.025 0.000 1.129 338 E HN 0.228 nan 8.360 nan 0.000 0.416 339 R N 2.384 122.899 120.500 0.026 0.000 2.276 339 R HA 0.011 4.357 4.340 0.010 0.000 0.203 339 R C 0.713 177.051 176.300 0.064 0.000 1.017 339 R CA 0.239 56.359 56.100 0.032 0.000 1.010 339 R CB -0.434 29.870 30.300 0.006 0.000 0.900 339 R HN 0.325 nan 8.270 nan 0.000 0.469 340 N N 1.031 119.777 118.700 0.076 0.000 2.744 340 N HA 0.052 4.798 4.740 0.010 0.000 0.290 340 N C -1.269 174.387 175.510 0.242 0.000 1.206 340 N CA 0.193 53.305 53.050 0.104 0.000 1.119 340 N CB -0.166 38.366 38.487 0.074 0.000 1.449 340 N HN -0.034 nan 8.380 nan 0.000 0.514 341 F N 0.177 120.120 119.950 -0.011 0.000 3.194 341 F HA 0.226 4.758 4.527 0.009 0.000 0.327 341 F C -1.116 174.690 175.800 0.010 0.000 1.141 341 F CA -1.061 56.945 58.000 0.011 0.000 0.862 341 F CB 0.665 39.673 39.000 0.014 0.000 1.447 341 F HN 0.187 nan 8.300 nan 0.000 0.479 342 H N 0.889 119.511 119.070 -0.747 0.000 2.620 342 H HA 0.530 5.092 4.556 0.010 0.000 0.313 342 H C -0.454 174.756 175.328 -0.197 0.000 1.075 342 H CA 0.665 56.410 56.048 -0.504 0.000 1.397 342 H CB 0.886 30.218 29.762 -0.717 0.000 1.446 342 H HN 0.586 nan 8.280 nan 0.000 0.493 343 T N 2.369 116.728 114.554 -0.325 0.000 2.888 343 T HA 0.607 4.963 4.350 0.010 0.000 0.284 343 T C -0.387 174.251 174.700 -0.104 0.000 1.017 343 T CA -0.591 61.438 62.100 -0.117 0.000 1.022 343 T CB 1.258 70.023 68.868 -0.173 0.000 1.013 343 T HN 0.488 nan 8.240 nan 0.000 0.465 344 V N -1.562 118.419 119.914 0.112 0.000 3.049 344 V HA 0.738 4.864 4.120 0.010 0.000 0.309 344 V C -3.302 172.958 176.094 0.277 0.000 1.148 344 V CA -3.203 59.157 62.300 0.101 0.000 0.990 344 V CB 1.532 33.357 31.823 0.004 0.000 1.039 344 V HN 0.677 nan 8.190 nan 0.000 0.430 345 P HA 0.125 nan 4.420 nan 0.000 0.261 345 P C -1.413 176.220 177.300 0.555 0.000 1.183 345 P CA 0.794 64.117 63.100 0.372 0.000 0.761 345 P CB -0.210 31.557 31.700 0.112 0.000 0.785 346 Y N 3.417 123.925 120.300 0.346 0.000 2.425 346 Y HA 0.581 5.137 4.550 0.010 0.000 0.344 346 Y C -0.369 175.510 175.900 -0.035 0.000 0.969 346 Y CA -1.551 56.594 58.100 0.075 0.000 1.052 346 Y CB 1.747 39.925 38.460 -0.471 0.000 1.215 346 Y HN 0.187 nan 8.280 nan 0.000 0.451 347 M N 7.866 127.332 119.600 -0.223 0.000 1.999 347 M HA 0.402 4.888 4.480 0.010 0.000 0.299 347 M C -2.147 173.839 176.300 -0.524 0.000 0.900 347 M CA -0.651 54.309 55.300 -0.567 0.000 0.904 347 M CB 0.511 32.450 32.600 -1.101 0.000 1.477 347 M HN 0.376 nan 8.290 nan 0.000 0.403 348 V N 3.446 122.999 119.914 -0.601 0.000 2.567 348 V HA 0.899 5.025 4.120 0.010 0.000 0.289 348 V C 0.612 176.402 176.094 -0.507 0.000 1.049 348 V CA -0.448 61.508 62.300 -0.574 0.000 0.969 348 V CB 1.276 32.710 31.823 -0.648 0.000 0.995 348 V HN 0.921 nan 8.190 nan 0.000 0.471 349 G N 3.602 112.055 108.800 -0.580 0.000 2.696 349 G HA2 0.817 4.783 3.960 0.010 0.000 0.295 349 G HA3 0.817 4.783 3.960 0.010 0.000 0.295 349 G C -1.314 173.230 174.900 -0.593 0.000 1.398 349 G CA -0.659 43.746 45.100 -1.159 0.000 0.920 349 G HN 0.959 nan 8.290 nan 0.000 0.492 350 I N -2.047 118.244 120.570 -0.465 0.000 2.969 350 I HA 0.589 4.765 4.170 0.010 0.000 0.307 350 I C -1.031 175.092 176.117 0.010 0.000 1.149 350 I CA -1.307 59.912 61.300 -0.135 0.000 1.008 350 I CB 2.521 40.474 38.000 -0.078 0.000 1.232 350 I HN 0.411 nan 8.210 nan 0.000 0.435 351 N N 2.257 120.996 118.700 0.066 0.000 2.466 351 N HA 0.234 4.979 4.740 0.010 0.000 0.294 351 N C 0.171 175.761 175.510 0.134 0.000 1.129 351 N CA -0.814 52.339 53.050 0.171 0.000 0.931 351 N CB 2.059 40.645 38.487 0.164 0.000 1.193 351 N HN 0.547 nan 8.380 nan 0.000 0.500 352 K N 0.831 121.329 120.400 0.163 0.000 2.015 352 K HA -0.195 4.131 4.320 0.010 0.000 0.216 352 K C 0.100 176.774 176.600 0.123 0.000 1.052 352 K CA 1.833 58.197 56.287 0.128 0.000 0.937 352 K CB 0.100 32.671 32.500 0.119 0.000 0.719 352 K HN 0.561 nan 8.250 nan 0.000 0.446 353 Q N 0.555 120.433 119.800 0.130 0.000 2.706 353 Q HA 0.102 4.448 4.340 0.010 0.000 0.250 353 Q C -0.018 176.059 176.000 0.128 0.000 1.120 353 Q CA -0.345 55.539 55.803 0.134 0.000 0.972 353 Q CB 1.450 30.267 28.738 0.132 0.000 1.173 353 Q HN 0.207 nan 8.270 nan 0.000 0.522 354 E N 0.772 121.033 120.200 0.101 0.000 2.017 354 E HA -0.151 4.205 4.350 0.010 0.000 0.193 354 E C 0.416 177.062 176.600 0.077 0.000 0.997 354 E CA 1.216 57.623 56.400 0.011 0.000 0.804 354 E CB 0.063 29.649 29.700 -0.190 0.000 0.757 354 E HN 0.435 nan 8.360 nan 0.000 0.448 355 F N 1.061 121.020 119.950 0.014 0.000 2.954 355 F HA 0.262 4.794 4.527 0.009 0.000 0.300 355 F C 1.333 177.138 175.800 0.008 0.000 1.206 355 F CA -0.192 57.798 58.000 -0.017 0.000 1.345 355 F CB 0.147 39.108 39.000 -0.064 0.000 1.206 355 F HN -0.089 nan 8.300 nan 0.000 0.537 356 G N -0.475 108.351 108.800 0.042 0.000 2.887 356 G HA2 -0.027 3.938 3.960 0.010 0.000 0.211 356 G HA3 -0.027 3.938 3.960 0.010 0.000 0.211 356 G C 0.525 175.528 174.900 0.173 0.000 1.152 356 G CA 0.385 45.552 45.100 0.112 0.000 0.769 356 G HN 0.651 nan 8.290 nan 0.000 0.541 357 W N -1.605 119.602 121.300 -0.156 0.000 4.511 357 W HA 0.127 4.792 4.660 0.010 0.000 0.159 357 W C 1.525 177.963 176.519 -0.135 0.000 3.471 357 W CA 0.187 57.464 57.345 -0.114 0.000 1.173 357 W CB -0.766 28.687 29.460 -0.012 0.000 2.090 357 W HN -0.072 nan 8.180 nan 0.000 0.393 358 L N 2.246 123.546 121.223 0.129 0.000 2.123 358 L HA -0.255 4.091 4.340 0.010 0.000 0.217 358 L C 1.801 178.508 176.870 -0.272 0.000 1.081 358 L CA 2.943 57.748 54.840 -0.057 0.000 0.772 358 L CB -0.721 41.543 42.059 0.342 0.000 0.890 358 L HN 0.303 nan 8.230 nan 0.000 0.437 359 I N -1.570 118.791 120.570 -0.349 0.000 2.429 359 I HA -0.072 4.104 4.170 0.010 0.000 0.247 359 I C -0.417 175.352 176.117 -0.579 0.000 1.099 359 I CA 0.518 61.560 61.300 -0.429 0.000 1.422 359 I CB -1.667 36.057 38.000 -0.459 0.000 1.112 359 I HN 0.163 nan 8.210 nan 0.000 0.430 360 P HA -0.137 nan 4.420 nan 0.000 0.220 360 P C 0.994 178.126 177.300 -0.280 0.000 1.148 360 P CA 1.212 63.888 63.100 -0.707 0.000 0.803 360 P CB 0.093 31.347 31.700 -0.742 0.000 0.782 364 M N 0.210 119.813 119.600 0.006 0.000 2.618 364 M HA 0.140 4.626 4.480 0.010 0.000 0.240 364 M C 0.244 176.616 176.300 0.119 0.000 1.123 364 M CA 0.333 55.703 55.300 0.116 0.000 1.060 364 M CB 0.291 33.051 32.600 0.267 0.000 1.535 364 M HN 0.218 nan 8.290 nan 0.000 0.507 365 S N 0.599 116.342 115.700 0.071 0.000 3.578 365 S HA -0.173 4.302 4.470 0.010 0.000 0.449 365 S C -0.670 173.993 174.600 0.106 0.000 0.853 365 S CA 0.196 58.430 58.200 0.057 0.000 1.348 365 S CB -1.647 61.563 63.200 0.017 0.000 0.907 365 S HN 0.411 nan 8.310 nan 0.000 0.627 366 Y N 1.429 121.745 120.300 0.027 0.000 2.299 366 Y HA 0.362 4.917 4.550 0.009 0.000 0.326 366 Y C -1.310 174.639 175.900 0.082 0.000 1.164 366 Y CA -1.705 56.453 58.100 0.097 0.000 1.234 366 Y CB 0.675 39.237 38.460 0.169 0.000 1.219 366 Y HN 0.144 nan 8.280 nan 0.000 0.497 367 P HA 0.034 nan 4.420 nan 0.000 0.259 367 P C -0.061 177.324 177.300 0.141 0.000 1.307 367 P CA 0.871 64.021 63.100 0.084 0.000 0.768 367 P CB -0.120 31.586 31.700 0.012 0.000 1.199 368 L N -0.537 120.822 121.223 0.228 0.000 2.888 368 L HA 0.082 4.428 4.340 0.010 0.000 0.237 368 L C 1.512 178.473 176.870 0.153 0.000 1.288 368 L CA 0.100 55.066 54.840 0.209 0.000 1.110 368 L CB -0.606 41.627 42.059 0.289 0.000 1.441 368 L HN 0.069 nan 8.230 nan 0.000 0.474 369 S N -2.203 113.568 115.700 0.119 0.000 2.522 369 S HA -0.062 4.414 4.470 0.010 0.000 0.227 369 S C 1.622 176.273 174.600 0.085 0.000 0.986 369 S CA 0.198 58.457 58.200 0.098 0.000 0.929 369 S CB 0.046 63.292 63.200 0.078 0.000 0.769 369 S HN 0.407 nan 8.310 nan 0.000 0.529 370 E N 1.555 121.804 120.200 0.081 0.000 2.208 370 E HA 0.034 4.389 4.350 0.010 0.000 0.193 370 E C 1.536 178.179 176.600 0.073 0.000 0.988 370 E CA 0.810 57.250 56.400 0.067 0.000 0.828 370 E CB -0.487 29.247 29.700 0.056 0.000 0.763 370 E HN 0.736 nan 8.360 nan 0.000 0.478 371 G N 1.486 110.341 108.800 0.092 0.000 2.136 371 G HA2 -0.290 3.676 3.960 0.010 0.000 0.242 371 G HA3 -0.290 3.676 3.960 0.010 0.000 0.242 371 G C 0.134 175.088 174.900 0.090 0.000 0.989 371 G CA 0.864 46.021 45.100 0.096 0.000 0.682 371 G HN 0.424 nan 8.290 nan 0.000 0.522 372 Q N -1.445 118.406 119.800 0.085 0.000 2.874 372 Q HA 0.800 5.146 4.340 0.010 0.000 0.303 372 Q C -0.801 175.232 176.000 0.055 0.000 0.876 372 Q CA -0.881 54.965 55.803 0.072 0.000 0.765 372 Q CB 1.632 30.404 28.738 0.056 0.000 1.478 372 Q HN 1.505 nan 8.270 nan 0.000 0.434 373 L N -1.431 119.814 121.223 0.037 0.000 2.983 373 L HA 0.468 4.813 4.340 0.010 0.000 0.249 373 L C -1.770 175.098 176.870 -0.003 0.000 0.963 373 L CA -1.042 53.799 54.840 0.002 0.000 1.011 373 L CB 1.525 43.560 42.059 -0.040 0.000 1.607 373 L HN 0.940 nan 8.230 nan 0.000 0.447 374 D N 1.601 121.996 120.400 -0.009 0.000 2.478 374 D HA 0.173 4.818 4.640 0.010 0.000 0.274 374 D C 0.291 176.582 176.300 -0.015 0.000 1.234 374 D CA -0.298 53.701 54.000 -0.001 0.000 1.069 374 D CB 0.878 41.680 40.800 0.003 0.000 1.113 374 D HN 0.787 nan 8.370 nan 0.000 0.571 375 Q N -0.272 119.528 119.800 0.001 0.000 2.046 375 Q HA -0.113 4.233 4.340 0.010 0.000 0.200 375 Q C 2.002 177.998 176.000 -0.008 0.000 0.975 375 Q CA 1.108 56.914 55.803 0.005 0.000 0.836 375 Q CB -0.175 28.576 28.738 0.021 0.000 0.896 375 Q HN 0.462 nan 8.270 nan 0.000 0.428 376 K N -0.075 120.321 120.400 -0.007 0.000 2.360 376 K HA -0.090 4.236 4.320 0.010 0.000 0.201 376 K C 1.862 178.452 176.600 -0.016 0.000 1.046 376 K CA 1.222 57.504 56.287 -0.008 0.000 0.940 376 K CB 0.143 32.640 32.500 -0.005 0.000 0.748 376 K HN 0.177 nan 8.250 nan 0.000 0.465 377 T N -0.104 114.429 114.554 -0.036 0.000 2.925 377 T HA 0.042 4.398 4.350 0.010 0.000 0.245 377 T C 1.921 176.554 174.700 -0.112 0.000 1.025 377 T CA 0.771 62.837 62.100 -0.057 0.000 1.149 377 T CB -0.086 68.743 68.868 -0.064 0.000 0.866 377 T HN 0.228 nan 8.240 nan 0.000 0.437 378 A N 1.968 124.680 122.820 -0.180 0.000 1.883 378 A HA -0.103 4.223 4.320 0.010 0.000 0.217 378 A C 2.342 179.871 177.584 -0.092 0.000 1.186 378 A CA 1.631 53.464 52.037 -0.341 0.000 0.624 378 A CB -0.837 18.006 19.000 -0.262 0.000 0.822 378 A HN 0.423 nan 8.150 nan 0.000 0.444 379 M N -0.966 118.636 119.600 0.003 0.000 2.202 379 M HA -0.134 4.352 4.480 0.010 0.000 0.262 379 M C 2.397 178.757 176.300 0.099 0.000 1.063 379 M CA 1.698 57.039 55.300 0.068 0.000 1.097 379 M CB -0.237 32.383 32.600 0.032 0.000 1.382 379 M HN 0.503 nan 8.290 nan 0.000 0.413 380 S N 0.103 115.844 115.700 0.068 0.000 2.470 380 S HA 0.083 4.559 4.470 0.010 0.000 0.225 380 S C 1.672 176.378 174.600 0.177 0.000 1.006 380 S CA 0.313 58.588 58.200 0.125 0.000 0.934 380 S CB 0.103 63.346 63.200 0.071 0.000 0.778 380 S HN 0.374 nan 8.310 nan 0.000 0.517 381 L N 0.623 121.907 121.223 0.100 0.000 2.044 381 L HA 0.035 4.381 4.340 0.010 0.000 0.205 381 L C 2.208 179.302 176.870 0.373 0.000 1.075 381 L CA 0.765 55.697 54.840 0.154 0.000 0.747 381 L CB -0.317 41.692 42.059 -0.083 0.000 0.903 381 L HN 0.334 nan 8.230 nan 0.000 0.435 382 L N -0.898 120.598 121.223 0.455 0.000 2.261 382 L HA -0.265 4.081 4.340 0.010 0.000 0.216 382 L C 1.975 179.116 176.870 0.451 0.000 1.114 382 L CA 1.689 56.818 54.840 0.482 0.000 0.777 382 L CB -0.589 41.745 42.059 0.458 0.000 0.910 382 L HN 0.354 nan 8.230 nan 0.000 0.440 383 W N 0.308 121.713 121.300 0.175 0.000 2.413 383 W HA -0.212 4.454 4.660 0.011 0.000 0.315 383 W C 2.195 178.806 176.519 0.152 0.000 1.186 383 W CA 0.827 58.263 57.345 0.151 0.000 1.326 383 W CB 0.075 29.584 29.460 0.081 0.000 1.153 383 W HN -0.001 nan 8.180 nan 0.000 0.489 384 K N 0.397 120.861 120.400 0.106 0.000 2.281 384 K HA -0.112 4.214 4.320 0.010 0.000 0.203 384 K C 1.572 178.162 176.600 -0.016 0.000 1.046 384 K CA 1.455 57.692 56.287 -0.082 0.000 0.938 384 K CB -0.259 32.227 32.500 -0.023 0.000 0.737 384 K HN -0.056 nan 8.250 nan 0.000 0.458 385 S N 0.406 116.174 115.700 0.113 0.000 2.701 385 S HA -0.012 4.464 4.470 0.010 0.000 0.220 385 S C 0.920 175.564 174.600 0.074 0.000 0.954 385 S CA -0.247 58.028 58.200 0.125 0.000 0.936 385 S CB -0.285 63.037 63.200 0.203 0.000 0.777 385 S HN 0.301 nan 8.310 nan 0.000 0.518 386 Y N 3.818 124.050 120.300 -0.113 0.000 2.181 386 Y HA -0.161 4.395 4.550 0.009 0.000 0.284 386 Y C -0.608 175.231 175.900 -0.101 0.000 1.179 386 Y CA 1.718 59.730 58.100 -0.147 0.000 1.179 386 Y CB -0.979 37.250 38.460 -0.385 0.000 0.973 386 Y HN 0.288 nan 8.280 nan 0.000 0.519 387 P HA -0.141 nan 4.420 nan 0.000 0.225 387 P C 1.092 178.343 177.300 -0.081 0.000 1.148 387 P CA 1.546 64.635 63.100 -0.018 0.000 0.779 387 P CB 0.063 31.780 31.700 0.029 0.000 0.780 388 L N -0.483 120.683 121.223 -0.094 0.000 2.379 388 L HA 0.020 4.366 4.340 0.010 0.000 0.190 388 L C 2.760 179.501 176.870 -0.215 0.000 1.111 388 L CA 0.591 55.348 54.840 -0.139 0.000 0.820 388 L CB -0.985 41.004 42.059 -0.117 0.000 1.046 388 L HN -0.227 nan 8.230 nan 0.000 0.485 389 V N -3.493 116.294 119.914 -0.212 0.000 2.719 389 V HA -0.090 4.036 4.120 0.010 0.000 0.252 389 V C 1.242 177.217 176.094 -0.197 0.000 1.065 389 V CA 0.024 62.190 62.300 -0.224 0.000 1.086 389 V CB -0.696 31.025 31.823 -0.170 0.000 0.700 389 V HN 0.657 nan 8.190 nan 0.000 0.467 390 C N 0.912 119.986 119.300 -0.377 0.000 4.235 390 C HA -0.168 4.298 4.460 0.010 0.000 0.301 390 C C 0.572 175.332 174.990 -0.384 0.000 1.409 390 C CA 0.193 58.811 59.018 -0.667 0.000 2.024 390 C CB -3.203 24.318 27.740 -0.365 0.000 1.286 390 C HN 0.662 nan 8.230 nan 0.000 0.746 391 I N 0.898 121.364 120.570 -0.173 0.000 2.353 391 I HA 0.530 4.706 4.170 0.010 0.000 0.293 391 I C 0.973 177.264 176.117 0.289 0.000 0.992 391 I CA 0.023 61.326 61.300 0.005 0.000 1.268 391 I CB 1.103 39.194 38.000 0.151 0.000 1.387 391 I HN 0.459 nan 8.210 nan 0.000 0.478 392 A N 5.072 127.985 122.820 0.157 0.000 2.386 392 A HA 0.114 4.440 4.320 0.010 0.000 0.246 392 A C 1.102 178.749 177.584 0.106 0.000 1.089 392 A CA -0.192 52.003 52.037 0.263 0.000 0.790 392 A CB 0.283 19.324 19.000 0.069 0.000 1.042 392 A HN 0.775 nan 8.150 nan 0.000 0.497 393 K N -0.104 120.182 120.400 -0.189 0.000 2.504 393 K HA -0.072 4.254 4.320 0.010 0.000 0.195 393 K C 1.168 177.579 176.600 -0.314 0.000 1.036 393 K CA 1.812 57.717 56.287 -0.637 0.000 0.984 393 K CB -0.062 31.764 32.500 -1.123 0.000 0.788 393 K HN 0.833 nan 8.250 nan 0.000 0.488 394 E N -0.879 119.227 120.200 -0.157 0.000 2.498 394 E HA 0.048 4.404 4.350 0.010 0.000 0.203 394 E C 0.982 177.549 176.600 -0.055 0.000 1.013 394 E CA 0.032 56.370 56.400 -0.103 0.000 0.927 394 E CB 0.112 29.765 29.700 -0.078 0.000 1.012 394 E HN 0.205 nan 8.360 nan 0.000 0.482 395 L N 0.461 121.666 121.223 -0.030 0.000 2.609 395 L HA 0.154 4.499 4.340 0.010 0.000 0.230 395 L C 1.988 178.900 176.870 0.071 0.000 1.087 395 L CA -0.233 54.616 54.840 0.015 0.000 0.874 395 L CB -0.170 41.895 42.059 0.009 0.000 1.114 395 L HN 0.107 nan 8.230 nan 0.000 0.488 396 I N 1.251 121.856 120.570 0.059 0.000 2.113 396 I HA -0.223 3.953 4.170 0.010 0.000 0.242 396 I C -0.016 176.160 176.117 0.097 0.000 1.057 396 I CA 2.152 63.513 61.300 0.102 0.000 1.314 396 I CB -2.424 35.602 38.000 0.043 0.000 1.022 396 I HN 0.193 nan 8.210 nan 0.000 0.408 397 P HA -0.158 nan 4.420 nan 0.000 0.215 397 P C 1.765 179.111 177.300 0.076 0.000 1.157 397 P CA 1.414 64.543 63.100 0.049 0.000 0.868 397 P CB -0.032 31.678 31.700 0.015 0.000 0.788 398 E N -0.717 119.532 120.200 0.082 0.000 2.077 398 E HA -0.182 4.173 4.350 0.010 0.000 0.193 398 E C 1.941 178.660 176.600 0.198 0.000 0.989 398 E CA 1.231 57.702 56.400 0.118 0.000 0.800 398 E CB -0.407 29.347 29.700 0.090 0.000 0.746 398 E HN 0.089 nan 8.360 nan 0.000 0.452 399 A N -0.163 122.782 122.820 0.209 0.000 1.970 399 A HA -0.070 4.255 4.320 0.010 0.000 0.216 399 A C 2.248 179.949 177.584 0.194 0.000 1.170 399 A CA 1.386 53.565 52.037 0.237 0.000 0.645 399 A CB -0.356 18.836 19.000 0.320 0.000 0.816 399 A HN 0.193 nan 8.150 nan 0.000 0.447 400 T N -0.392 114.269 114.554 0.179 0.000 2.857 400 T HA -0.081 4.274 4.350 0.010 0.000 0.266 400 T C 1.821 176.602 174.700 0.133 0.000 1.048 400 T CA 1.607 63.811 62.100 0.172 0.000 1.139 400 T CB -0.131 68.822 68.868 0.141 0.000 0.874 400 T HN 0.573 nan 8.240 nan 0.000 0.455 401 E N 1.053 121.308 120.200 0.092 0.000 2.418 401 E HA -0.041 4.315 4.350 0.010 0.000 0.197 401 E C 1.890 178.496 176.600 0.009 0.000 1.026 401 E CA 0.818 57.249 56.400 0.051 0.000 0.862 401 E CB -0.015 29.709 29.700 0.040 0.000 0.799 401 E HN 0.251 nan 8.360 nan 0.000 0.518 402 K N -1.421 118.971 120.400 -0.014 0.000 2.284 402 K HA 0.039 4.365 4.320 0.010 0.000 0.198 402 K C 0.868 177.361 176.600 -0.179 0.000 1.048 402 K CA 0.867 57.032 56.287 -0.205 0.000 0.987 402 K CB -0.150 31.983 32.500 -0.612 0.000 0.800 402 K HN 0.150 nan 8.250 nan 0.000 0.486 403 Y N -0.496 119.718 120.300 -0.143 0.000 2.558 403 Y HA 0.277 4.833 4.550 0.010 0.000 0.273 403 Y C 1.301 177.210 175.900 0.015 0.000 1.100 403 Y CA 0.466 58.535 58.100 -0.051 0.000 1.276 403 Y CB 0.613 39.098 38.460 0.041 0.000 1.196 403 Y HN -0.117 nan 8.280 nan 0.000 0.527 404 L N -2.261 119.073 121.223 0.185 0.000 2.609 404 L HA 0.320 4.666 4.340 0.010 0.000 0.230 404 L C 2.159 179.071 176.870 0.070 0.000 1.087 404 L CA 0.615 55.536 54.840 0.134 0.000 0.874 404 L CB -0.370 41.778 42.059 0.149 0.000 1.114 404 L HN 0.113 nan 8.230 nan 0.000 0.488 405 G N 0.523 109.350 108.800 0.046 0.000 2.653 405 G HA2 -0.052 3.914 3.960 0.010 0.000 0.212 405 G HA3 -0.052 3.914 3.960 0.010 0.000 0.212 405 G C 1.347 176.249 174.900 0.004 0.000 1.138 405 G CA 0.689 45.800 45.100 0.019 0.000 0.782 405 G HN 0.432 nan 8.290 nan 0.000 0.535 406 G N 0.335 109.137 108.800 0.003 0.000 2.496 406 G HA2 0.163 4.128 3.960 0.010 0.000 0.214 406 G HA3 0.163 4.128 3.960 0.010 0.000 0.214 406 G C 1.113 176.017 174.900 0.007 0.000 1.234 406 G CA 1.372 46.467 45.100 -0.007 0.000 0.807 406 G HN 0.620 nan 8.290 nan 0.000 0.543 407 T N -2.721 111.845 114.554 0.020 0.000 2.893 407 T HA 0.533 4.889 4.350 0.010 0.000 0.279 407 T C 0.069 174.786 174.700 0.028 0.000 0.991 407 T CA -0.316 61.798 62.100 0.023 0.000 0.950 407 T CB 2.029 70.914 68.868 0.029 0.000 1.223 407 T HN 0.026 nan 8.240 nan 0.000 0.585 408 D N -1.033 119.383 120.400 0.027 0.000 2.479 408 D HA 0.086 4.732 4.640 0.010 0.000 0.216 408 D C -0.177 176.141 176.300 0.030 0.000 1.110 408 D CA -0.104 53.912 54.000 0.026 0.000 0.841 408 D CB 0.249 41.061 40.800 0.020 0.000 1.040 408 D HN 0.560 nan 8.370 nan 0.000 0.505 409 D N 2.406 122.826 120.400 0.033 0.000 2.359 409 D HA -0.050 4.596 4.640 0.010 0.000 0.273 409 D C 1.456 177.783 176.300 0.045 0.000 1.362 409 D CA 0.299 54.321 54.000 0.036 0.000 1.010 409 D CB 0.660 41.482 40.800 0.037 0.000 1.090 409 D HN 0.064 nan 8.370 nan 0.000 0.521 410 T N 0.065 114.643 114.554 0.041 0.000 2.946 410 T HA -0.156 4.200 4.350 0.010 0.000 0.270 410 T C 1.756 176.491 174.700 0.058 0.000 1.129 410 T CA 0.876 63.003 62.100 0.045 0.000 1.103 410 T CB -0.044 68.845 68.868 0.035 0.000 0.839 410 T HN 0.216 nan 8.240 nan 0.000 0.544 411 V N 0.765 120.715 119.914 0.059 0.000 2.725 411 V HA 0.094 4.220 4.120 0.010 0.000 0.247 411 V C 2.426 178.571 176.094 0.085 0.000 1.058 411 V CA 1.027 63.368 62.300 0.070 0.000 1.080 411 V CB -0.305 31.553 31.823 0.059 0.000 0.713 411 V HN 0.458 nan 8.190 nan 0.000 0.465 412 K N 0.145 120.591 120.400 0.077 0.000 2.400 412 K HA 0.068 4.394 4.320 0.010 0.000 0.194 412 K C 1.851 178.517 176.600 0.109 0.000 1.033 412 K CA 0.311 56.649 56.287 0.086 0.000 1.021 412 K CB 0.026 32.566 32.500 0.066 0.000 0.808 412 K HN 0.322 nan 8.250 nan 0.000 0.505 413 K N 1.043 121.508 120.400 0.108 0.000 2.432 413 K HA -0.052 4.274 4.320 0.010 0.000 0.196 413 K C 1.894 178.606 176.600 0.186 0.000 1.038 413 K CA 0.583 56.949 56.287 0.132 0.000 0.986 413 K CB 0.248 32.806 32.500 0.097 0.000 0.782 413 K HN 0.062 nan 8.250 nan 0.000 0.485 414 K N 1.151 121.658 120.400 0.178 0.000 2.067 414 K HA -0.096 4.230 4.320 0.010 0.000 0.203 414 K C 1.034 177.800 176.600 0.277 0.000 1.048 414 K CA 1.195 57.625 56.287 0.238 0.000 0.954 414 K CB 0.186 32.798 32.500 0.187 0.000 0.737 414 K HN -0.053 nan 8.250 nan 0.000 0.444 415 D N 1.196 121.720 120.400 0.207 0.000 2.309 415 D HA -0.122 4.524 4.640 0.010 0.000 0.212 415 D C 1.863 178.289 176.300 0.210 0.000 0.968 415 D CA 0.848 54.963 54.000 0.191 0.000 0.882 415 D CB 0.193 41.079 40.800 0.144 0.000 0.918 415 D HN 0.308 nan 8.370 nan 0.000 0.503 416 L N -0.723 120.643 121.223 0.237 0.000 2.249 416 L HA 0.003 4.348 4.340 0.010 0.000 0.207 416 L C 2.195 179.258 176.870 0.323 0.000 1.090 416 L CA 0.121 55.130 54.840 0.282 0.000 0.802 416 L CB -0.243 41.972 42.059 0.260 0.000 0.947 416 L HN -0.078 nan 8.230 nan 0.000 0.453 417 F N 1.172 121.218 119.950 0.161 0.000 2.186 417 F HA -0.153 4.380 4.527 0.010 0.000 0.299 417 F C 2.033 177.883 175.800 0.084 0.000 1.090 417 F CA 1.404 59.471 58.000 0.111 0.000 1.307 417 F CB -0.154 38.916 39.000 0.117 0.000 1.019 417 F HN -0.131 nan 8.300 nan 0.000 0.489 418 L N -0.029 121.250 121.223 0.094 0.000 2.005 418 L HA -0.213 4.133 4.340 0.010 0.000 0.207 418 L C 2.290 179.178 176.870 0.030 0.000 1.072 418 L CA 1.649 56.522 54.840 0.054 0.000 0.744 418 L CB -0.900 41.307 42.059 0.247 0.000 0.895 418 L HN 0.031 nan 8.230 nan 0.000 0.433 419 D N -0.092 120.385 120.400 0.130 0.000 2.221 419 D HA -0.168 4.478 4.640 0.010 0.000 0.204 419 D C 2.089 178.484 176.300 0.159 0.000 0.982 419 D CA 0.836 54.946 54.000 0.183 0.000 0.857 419 D CB 0.118 41.065 40.800 0.245 0.000 0.934 419 D HN 0.154 nan 8.370 nan 0.000 0.475 420 L N 1.202 122.420 121.223 -0.008 0.000 1.973 420 L HA -0.143 4.202 4.340 0.010 0.000 0.208 420 L C 2.295 178.970 176.870 -0.324 0.000 1.073 420 L CA 1.381 56.009 54.840 -0.352 0.000 0.746 420 L CB -0.986 40.788 42.059 -0.476 0.000 0.891 420 L HN -0.016 nan 8.230 nan 0.000 0.433 421 I N 0.636 120.907 120.570 -0.499 0.000 2.335 421 I HA -0.278 3.897 4.170 0.010 0.000 0.251 421 I C 2.745 178.674 176.117 -0.313 0.000 1.129 421 I CA 1.113 62.066 61.300 -0.578 0.000 1.402 421 I CB -0.612 36.731 38.000 -1.094 0.000 1.069 421 I HN 0.343 nan 8.210 nan 0.000 0.424 422 A N 0.371 123.138 122.820 -0.088 0.000 1.969 422 A HA -0.190 4.135 4.320 0.010 0.000 0.218 422 A C 1.933 179.596 177.584 0.132 0.000 1.169 422 A CA 1.694 53.830 52.037 0.166 0.000 0.635 422 A CB -0.392 18.741 19.000 0.222 0.000 0.810 422 A HN 0.314 nan 8.150 nan 0.000 0.445 423 D N -0.397 120.037 120.400 0.057 0.000 2.183 423 D HA -0.050 4.596 4.640 0.010 0.000 0.203 423 D C 1.878 178.072 176.300 -0.178 0.000 0.969 423 D CA 1.205 55.242 54.000 0.063 0.000 0.842 423 D CB -0.037 40.946 40.800 0.305 0.000 0.957 423 D HN 0.262 nan 8.370 nan 0.000 0.484 424 V N 0.357 120.035 119.914 -0.392 0.000 2.951 424 V HA -0.022 4.104 4.120 0.010 0.000 0.255 424 V C 2.152 177.963 176.094 -0.471 0.000 1.088 424 V CA 0.843 62.776 62.300 -0.611 0.000 1.109 424 V CB -0.155 31.202 31.823 -0.777 0.000 0.724 424 V HN 0.165 nan 8.190 nan 0.000 0.471 425 M N -1.765 117.590 119.600 -0.408 0.000 2.657 425 M HA 0.231 4.717 4.480 0.010 0.000 0.262 425 M C 1.596 177.446 176.300 -0.750 0.000 1.213 425 M CA 1.596 56.528 55.300 -0.613 0.000 1.182 425 M CB 0.196 32.350 32.600 -0.742 0.000 1.303 425 M HN 0.347 nan 8.290 nan 0.000 0.501 426 F N -1.023 118.870 119.950 -0.094 0.000 2.581 426 F HA 0.370 4.903 4.527 0.009 0.000 0.278 426 F C 2.253 178.005 175.800 -0.079 0.000 1.000 426 F CA 0.130 58.095 58.000 -0.059 0.000 1.230 426 F CB -1.154 37.855 39.000 0.014 0.000 1.008 426 F HN 0.043 nan 8.300 nan 0.000 0.695 427 G N 1.280 110.154 108.800 0.123 0.000 2.910 427 G HA2 -0.217 3.749 3.960 0.010 0.000 0.206 427 G HA3 -0.217 3.749 3.960 0.010 0.000 0.206 427 G C 1.723 176.619 174.900 -0.007 0.000 1.406 427 G CA 1.749 46.884 45.100 0.059 0.000 0.816 427 G HN 0.091 nan 8.290 nan 0.000 0.669 428 V N 2.651 122.557 119.914 -0.013 0.000 2.231 428 V HA -0.181 3.945 4.120 0.010 0.000 0.250 428 V C 0.558 176.602 176.094 -0.084 0.000 1.058 428 V CA 2.774 65.059 62.300 -0.025 0.000 1.022 428 V CB -1.459 30.348 31.823 -0.027 0.000 0.640 428 V HN 0.330 nan 8.190 nan 0.000 0.445 429 P HA -0.171 nan 4.420 nan 0.000 0.215 429 P C 2.064 179.293 177.300 -0.119 0.000 1.163 429 P CA 2.279 65.283 63.100 -0.160 0.000 0.894 429 P CB -0.174 31.395 31.700 -0.218 0.000 0.791 430 S N -0.981 114.652 115.700 -0.110 0.000 2.370 430 S HA -0.133 4.342 4.470 0.010 0.000 0.226 430 S C 1.973 176.475 174.600 -0.164 0.000 1.033 430 S CA 1.392 59.514 58.200 -0.129 0.000 1.011 430 S CB -1.228 61.901 63.200 -0.118 0.000 0.852 430 S HN -0.052 nan 8.310 nan 0.000 0.457 431 V N 1.908 121.740 119.914 -0.137 0.000 2.270 431 V HA -0.132 3.993 4.120 0.010 0.000 0.245 431 V C 2.068 178.124 176.094 -0.063 0.000 1.043 431 V CA 1.491 63.709 62.300 -0.137 0.000 1.014 431 V CB -0.636 31.146 31.823 -0.069 0.000 0.645 431 V HN 0.438 nan 8.190 nan 0.000 0.447 432 I N -0.082 120.469 120.570 -0.033 0.000 2.236 432 I HA -0.276 3.900 4.170 0.010 0.000 0.249 432 I C 2.338 178.462 176.117 0.013 0.000 1.102 432 I CA 1.365 62.664 61.300 -0.001 0.000 1.365 432 I CB -0.381 37.601 38.000 -0.030 0.000 1.051 432 I HN 0.169 nan 8.210 nan 0.000 0.420 433 V N 0.712 120.616 119.914 -0.018 0.000 2.358 433 V HA -0.280 3.846 4.120 0.010 0.000 0.246 433 V C 2.651 178.783 176.094 0.063 0.000 1.047 433 V CA 1.952 64.270 62.300 0.029 0.000 1.035 433 V CB -0.910 30.916 31.823 0.004 0.000 0.658 433 V HN 0.510 nan 8.190 nan 0.000 0.452 434 A N -0.069 122.717 122.820 -0.056 0.000 1.877 434 A HA -0.182 4.144 4.320 0.010 0.000 0.216 434 A C 2.356 180.061 177.584 0.201 0.000 1.186 434 A CA 1.384 53.376 52.037 -0.075 0.000 0.620 434 A CB -0.461 18.228 19.000 -0.518 0.000 0.822 434 A HN 0.418 nan 8.150 nan 0.000 0.443 435 R N -0.076 120.567 120.500 0.238 0.000 2.127 435 R HA -0.110 4.236 4.340 0.010 0.000 0.238 435 R C 1.600 178.011 176.300 0.186 0.000 1.134 435 R CA 1.606 57.883 56.100 0.295 0.000 0.975 435 R CB -0.705 29.715 30.300 0.201 0.000 0.865 435 R HN 0.708 nan 8.270 nan 0.000 0.447 436 N N -0.626 118.168 118.700 0.156 0.000 2.376 436 N HA -0.118 4.627 4.740 0.010 0.000 0.177 436 N C 1.660 177.265 175.510 0.158 0.000 1.024 436 N CA 0.274 53.400 53.050 0.126 0.000 0.893 436 N CB 0.003 38.549 38.487 0.097 0.000 0.980 436 N HN 0.249 nan 8.380 nan 0.000 0.439 437 H N 1.453 120.606 119.070 0.138 0.000 2.372 437 H HA 0.083 4.645 4.556 0.009 0.000 0.301 437 H C 2.241 177.651 175.328 0.137 0.000 1.065 437 H CA 1.263 57.409 56.048 0.163 0.000 1.364 437 H CB 0.196 30.122 29.762 0.274 0.000 1.406 437 H HN -0.033 nan 8.280 nan 0.000 0.521 438 R N 0.427 121.054 120.500 0.212 0.000 2.070 438 R HA -0.136 4.209 4.340 0.010 0.000 0.232 438 R C 1.188 177.504 176.300 0.027 0.000 1.138 438 R CA 2.061 58.234 56.100 0.122 0.000 0.936 438 R CB -0.374 30.031 30.300 0.174 0.000 0.839 438 R HN 0.314 nan 8.270 nan 0.000 0.429 439 D N 0.140 120.567 120.400 0.045 0.000 2.354 439 D HA -0.103 4.543 4.640 0.010 0.000 0.216 439 D C 1.051 177.346 176.300 -0.009 0.000 0.970 439 D CA 1.190 55.199 54.000 0.015 0.000 0.905 439 D CB 0.068 40.886 40.800 0.030 0.000 0.903 439 D HN 0.435 nan 8.370 nan 0.000 0.508 440 A N -0.451 122.349 122.820 -0.033 0.000 2.275 440 A HA 0.481 4.807 4.320 0.010 0.000 0.212 440 A C 1.210 178.736 177.584 -0.097 0.000 1.201 440 A CA 0.566 52.567 52.037 -0.060 0.000 0.843 440 A CB -0.071 18.884 19.000 -0.075 0.000 0.873 440 A HN 0.166 nan 8.150 nan 0.000 0.492 441 G N -1.040 107.705 108.800 -0.093 0.000 2.689 441 G HA2 0.406 4.372 3.960 0.010 0.000 0.273 441 G HA3 0.406 4.372 3.960 0.010 0.000 0.273 441 G C -0.174 174.646 174.900 -0.133 0.000 1.062 441 G CA 0.040 45.088 45.100 -0.088 0.000 1.279 441 G HN 1.959 nan 8.290 nan 0.000 0.547 442 A N 2.470 125.218 122.820 -0.120 0.000 2.583 442 A HA 0.811 5.137 4.320 0.010 0.000 0.298 442 A C -3.005 174.629 177.584 0.083 0.000 1.055 442 A CA -0.963 51.017 52.037 -0.095 0.000 0.714 442 A CB 1.369 20.129 19.000 -0.400 0.000 1.277 442 A HN 0.381 nan 8.150 nan 0.000 0.406 443 P HA 0.197 nan 4.420 nan 0.000 0.257 443 P C -0.332 177.173 177.300 0.343 0.000 1.189 443 P CA 1.113 64.345 63.100 0.221 0.000 0.780 443 P CB 0.349 32.225 31.700 0.293 0.000 0.772 444 T N 3.666 118.322 114.554 0.169 0.000 2.885 444 T HA 0.569 4.925 4.350 0.010 0.000 0.285 444 T C -0.780 173.858 174.700 -0.103 0.000 1.019 444 T CA -0.258 61.966 62.100 0.207 0.000 1.010 444 T CB 0.863 69.922 68.868 0.319 0.000 1.022 444 T HN 0.113 nan 8.240 nan 0.000 0.466 445 Y N 0.772 121.012 120.300 -0.101 0.000 2.534 445 Y HA 0.682 5.238 4.550 0.009 0.000 0.345 445 Y C -0.068 175.747 175.900 -0.141 0.000 1.031 445 Y CA -1.145 56.855 58.100 -0.167 0.000 1.022 445 Y CB 2.143 40.229 38.460 -0.623 0.000 1.292 445 Y HN 0.355 nan 8.280 nan 0.000 0.459 446 M N 2.520 122.307 119.600 0.311 0.000 2.631 446 M HA 0.565 5.051 4.480 0.010 0.000 0.288 446 M C -1.768 174.881 176.300 0.582 0.000 1.260 446 M CA -0.990 54.416 55.300 0.177 0.000 0.842 446 M CB 3.506 36.002 32.600 -0.174 0.000 1.743 446 M HN 0.754 nan 8.290 nan 0.000 0.461 447 Y N -1.555 118.904 120.300 0.265 0.000 2.604 447 Y HA 0.630 5.185 4.550 0.009 0.000 0.331 447 Y C -1.777 174.216 175.900 0.155 0.000 1.158 447 Y CA -0.990 57.263 58.100 0.255 0.000 1.056 447 Y CB 1.341 39.969 38.460 0.281 0.000 1.330 447 Y HN 0.690 nan 8.280 nan 0.000 0.457 448 E N 3.060 123.497 120.200 0.396 0.000 2.235 448 E HA 0.328 4.684 4.350 0.010 0.000 0.252 448 E C -1.980 174.869 176.600 0.415 0.000 0.886 448 E CA -0.845 55.720 56.400 0.275 0.000 0.767 448 E CB 1.015 30.802 29.700 0.146 0.000 1.205 448 E HN 0.610 nan 8.360 nan 0.000 0.421 449 F N 3.321 123.479 119.950 0.346 0.000 2.495 449 F HA 0.119 4.652 4.527 0.010 0.000 0.365 449 F C 0.229 176.140 175.800 0.184 0.000 1.090 449 F CA 0.481 58.635 58.000 0.257 0.000 1.235 449 F CB 0.909 40.064 39.000 0.258 0.000 1.119 449 F HN 0.484 nan 8.300 nan 0.000 0.562 450 Q N 6.752 126.424 119.800 -0.213 0.000 3.300 450 Q HA 0.221 4.566 4.340 0.010 0.000 0.271 450 Q C -2.229 173.682 176.000 -0.149 0.000 0.926 450 Q CA -0.453 55.303 55.803 -0.079 0.000 0.788 450 Q CB 0.504 29.234 28.738 -0.013 0.000 1.385 450 Q HN 0.770 nan 8.270 nan 0.000 0.424 451 Y N 0.144 120.271 120.300 -0.288 0.000 2.544 451 Y HA 0.462 5.018 4.550 0.009 0.000 0.342 451 Y C -1.751 174.187 175.900 0.063 0.000 1.062 451 Y CA -0.958 57.032 58.100 -0.184 0.000 1.023 451 Y CB 1.739 39.977 38.460 -0.371 0.000 1.308 451 Y HN 0.359 nan 8.280 nan 0.000 0.457 452 R N 6.901 127.046 120.500 -0.591 0.000 2.310 452 R HA 0.452 4.798 4.340 0.010 0.000 0.316 452 R C -2.813 173.274 176.300 -0.354 0.000 1.004 452 R CA -2.086 53.836 56.100 -0.297 0.000 0.900 452 R CB 0.908 31.032 30.300 -0.293 0.000 1.152 452 R HN 0.423 nan 8.270 nan 0.000 0.513 453 P HA -0.028 nan 4.420 nan 0.000 0.269 453 P C 0.011 177.169 177.300 -0.236 0.000 1.215 453 P CA 0.063 63.238 63.100 0.125 0.000 0.780 453 P CB 1.188 33.053 31.700 0.276 0.000 0.898 454 S N 0.098 115.490 115.700 -0.514 0.000 2.650 454 S HA 0.071 4.547 4.470 0.010 0.000 0.219 454 S C 0.916 175.128 174.600 -0.648 0.000 0.960 454 S CA -0.041 57.815 58.200 -0.573 0.000 0.925 454 S CB -1.056 61.793 63.200 -0.586 0.000 0.775 454 S HN 0.392 nan 8.310 nan 0.000 0.525 455 F N 1.692 121.425 119.950 -0.362 0.000 2.695 455 F HA 0.361 4.894 4.527 0.010 0.000 0.303 455 F C 1.173 176.696 175.800 -0.462 0.000 1.091 455 F CA -0.680 57.012 58.000 -0.513 0.000 1.300 455 F CB -0.018 38.399 39.000 -0.972 0.000 1.071 455 F HN 0.058 nan 8.300 nan 0.000 0.578 456 S N 0.202 115.775 115.700 -0.211 0.000 2.584 456 S HA 0.049 4.525 4.470 0.010 0.000 0.270 456 S C 0.520 175.065 174.600 -0.091 0.000 1.346 456 S CA -0.577 57.564 58.200 -0.099 0.000 1.018 456 S CB 0.930 64.051 63.200 -0.132 0.000 0.899 456 S HN 0.253 nan 8.310 nan 0.000 0.542 457 S N 0.505 116.161 115.700 -0.074 0.000 2.568 457 S HA -0.013 4.462 4.470 0.010 0.000 0.282 457 S C 0.540 175.055 174.600 -0.141 0.000 1.338 457 S CA -0.535 57.631 58.200 -0.057 0.000 1.045 457 S CB 0.093 63.312 63.200 0.030 0.000 0.873 457 S HN 0.599 nan 8.310 nan 0.000 0.516 458 D N 3.675 124.036 120.400 -0.065 0.000 2.378 458 D HA 0.000 4.646 4.640 0.010 0.000 0.227 458 D C 0.960 177.216 176.300 -0.073 0.000 1.012 458 D CA 0.781 54.737 54.000 -0.073 0.000 0.905 458 D CB -0.021 40.761 40.800 -0.030 0.000 0.895 458 D HN 0.608 nan 8.370 nan 0.000 0.532 459 M N -0.318 119.233 119.600 -0.082 0.000 2.333 459 M HA 0.069 4.555 4.480 0.010 0.000 0.257 459 M C 0.757 176.921 176.300 -0.225 0.000 1.078 459 M CA -0.071 55.230 55.300 0.001 0.000 1.005 459 M CB 0.913 33.664 32.600 0.251 0.000 1.444 459 M HN -0.278 nan 8.290 nan 0.000 0.496 460 K N 3.523 123.509 120.400 -0.689 0.000 2.234 460 K HA 0.300 4.626 4.320 0.010 0.000 0.277 460 K C -2.291 173.986 176.600 -0.538 0.000 1.038 460 K CA -1.768 53.805 56.287 -1.190 0.000 0.888 460 K CB 1.036 32.641 32.500 -1.492 0.000 1.091 460 K HN -0.101 nan 8.250 nan 0.000 0.467 461 P HA -0.062 nan 4.420 nan 0.000 0.266 461 P C -0.426 176.773 177.300 -0.169 0.000 1.193 461 P CA 0.106 63.105 63.100 -0.169 0.000 0.770 461 P CB 0.637 32.297 31.700 -0.067 0.000 0.836 462 K N 1.009 121.334 120.400 -0.126 0.000 2.486 462 K HA -0.012 4.313 4.320 0.010 0.000 0.194 462 K C 1.531 178.074 176.600 -0.095 0.000 1.033 462 K CA 1.212 57.424 56.287 -0.124 0.000 1.004 462 K CB -0.554 31.880 32.500 -0.110 0.000 0.798 462 K HN 0.594 nan 8.250 nan 0.000 0.495 463 T N -1.049 113.467 114.554 -0.064 0.000 3.043 463 T HA 0.033 4.389 4.350 0.010 0.000 0.263 463 T C 1.093 175.782 174.700 -0.018 0.000 1.094 463 T CA -0.044 62.036 62.100 -0.033 0.000 1.127 463 T CB -0.061 68.804 68.868 -0.006 0.000 0.905 463 T HN -0.180 nan 8.240 nan 0.000 0.490 464 V N 2.868 122.768 119.914 -0.024 0.000 2.387 464 V HA 0.338 4.464 4.120 0.010 0.000 0.260 464 V C -0.007 176.086 176.094 -0.003 0.000 1.054 464 V CA -0.467 61.840 62.300 0.012 0.000 0.967 464 V CB -0.233 31.607 31.823 0.029 0.000 1.036 464 V HN 0.440 nan 8.190 nan 0.000 0.481 465 I N 3.730 124.311 120.570 0.018 0.000 2.460 465 I HA 0.579 4.755 4.170 0.010 0.000 0.298 465 I C 1.063 177.231 176.117 0.084 0.000 0.989 465 I CA -0.477 60.829 61.300 0.009 0.000 1.173 465 I CB 1.684 39.667 38.000 -0.029 0.000 1.338 465 I HN 0.755 nan 8.210 nan 0.000 0.456 466 G N 3.926 112.812 108.800 0.143 0.000 2.367 466 G HA2 -0.244 3.721 3.960 0.010 0.000 0.295 466 G HA3 -0.244 3.721 3.960 0.010 0.000 0.295 466 G C -0.467 174.564 174.900 0.219 0.000 1.019 466 G CA 0.025 45.284 45.100 0.265 0.000 1.224 466 G HN 0.766 nan 8.290 nan 0.000 0.510 467 D N -0.988 119.537 120.400 0.208 0.000 2.423 467 D HA 0.423 5.069 4.640 0.010 0.000 0.255 467 D C 0.914 177.326 176.300 0.187 0.000 1.174 467 D CA -0.663 53.458 54.000 0.201 0.000 1.008 467 D CB 0.453 41.398 40.800 0.241 0.000 1.101 467 D HN 0.409 nan 8.370 nan 0.000 0.516 468 H N -0.281 118.825 119.070 0.061 0.000 3.157 468 H HA 0.254 4.816 4.556 0.009 0.000 0.299 468 H C 1.323 176.684 175.328 0.056 0.000 0.961 468 H CA 1.917 57.959 56.048 -0.010 0.000 1.428 468 H CB -0.115 29.633 29.762 -0.024 0.000 1.459 468 H HN 0.607 nan 8.280 nan 0.000 0.566 469 G N 4.226 112.782 108.800 -0.407 0.000 2.199 469 G HA2 -0.338 3.627 3.960 0.010 0.000 0.254 469 G HA3 -0.338 3.627 3.960 0.010 0.000 0.254 469 G C 1.204 175.914 174.900 -0.316 0.000 0.982 469 G CA 0.452 45.247 45.100 -0.508 0.000 0.632 469 G HN 0.647 nan 8.290 nan 0.000 0.529 470 D N 1.038 121.414 120.400 -0.041 0.000 2.309 470 D HA -0.036 4.610 4.640 0.010 0.000 0.212 470 D C 2.420 178.681 176.300 -0.065 0.000 0.968 470 D CA 1.354 55.453 54.000 0.164 0.000 0.882 470 D CB -0.019 40.985 40.800 0.339 0.000 0.918 470 D HN 0.754 nan 8.370 nan 0.000 0.503 471 E N 0.953 120.837 120.200 -0.527 0.000 2.285 471 E HA -0.109 4.247 4.350 0.010 0.000 0.194 471 E C 2.186 178.450 176.600 -0.559 0.000 0.997 471 E CA 0.173 55.911 56.400 -1.104 0.000 0.845 471 E CB -0.663 28.423 29.700 -1.023 0.000 0.782 471 E HN 0.306 nan 8.360 nan 0.000 0.491 472 L N -0.024 120.944 121.223 -0.425 0.000 2.013 472 L HA -0.154 4.191 4.340 0.010 0.000 0.212 472 L C 2.670 179.395 176.870 -0.243 0.000 1.073 472 L CA 1.753 56.386 54.840 -0.346 0.000 0.753 472 L CB -0.716 40.995 42.059 -0.580 0.000 0.890 472 L HN 0.023 nan 8.230 nan 0.000 0.432 473 F N -0.973 118.947 119.950 -0.051 0.000 2.307 473 F HA -0.253 4.280 4.527 0.010 0.000 0.301 473 F C 2.776 178.593 175.800 0.029 0.000 1.076 473 F CA 1.232 59.244 58.000 0.020 0.000 1.383 473 F CB -0.290 38.837 39.000 0.212 0.000 1.055 473 F HN 0.059 nan 8.300 nan 0.000 0.526 474 S N -0.444 115.302 115.700 0.077 0.000 2.398 474 S HA -0.050 4.425 4.470 0.010 0.000 0.220 474 S C 2.131 176.596 174.600 -0.226 0.000 1.046 474 S CA 0.560 58.743 58.200 -0.028 0.000 0.953 474 S CB -0.411 62.773 63.200 -0.027 0.000 0.856 474 S HN 0.040 nan 8.310 nan 0.000 0.506 475 V N 1.128 120.805 119.914 -0.395 0.000 2.469 475 V HA -0.096 4.030 4.120 0.010 0.000 0.251 475 V C 1.455 177.213 176.094 -0.560 0.000 1.064 475 V CA 1.613 63.546 62.300 -0.612 0.000 1.066 475 V CB -0.690 30.759 31.823 -0.624 0.000 0.667 475 V HN 0.513 nan 8.190 nan 0.000 0.461 476 F N 0.122 119.903 119.950 -0.282 0.000 2.664 476 F HA 0.459 4.992 4.527 0.009 0.000 0.303 476 F C 1.648 177.343 175.800 -0.175 0.000 1.092 476 F CA 0.407 58.262 58.000 -0.241 0.000 1.305 476 F CB -0.202 38.622 39.000 -0.293 0.000 1.054 476 F HN 0.215 nan 8.300 nan 0.000 0.565 477 G N 1.041 109.820 108.800 -0.034 0.000 2.350 477 G HA2 -0.261 3.705 3.960 0.010 0.000 0.298 477 G HA3 -0.261 3.705 3.960 0.010 0.000 0.298 477 G C 1.230 176.225 174.900 0.158 0.000 1.037 477 G CA 0.296 45.414 45.100 0.031 0.000 1.074 477 G HN 0.575 nan 8.290 nan 0.000 0.511 478 A N 0.393 123.276 122.820 0.104 0.000 1.908 478 A HA 0.088 4.414 4.320 0.010 0.000 0.218 478 A C 0.537 178.082 177.584 -0.065 0.000 1.181 478 A CA 2.016 53.993 52.037 -0.100 0.000 0.627 478 A CB -0.794 18.014 19.000 -0.320 0.000 0.818 478 A HN 0.476 nan 8.150 nan 0.000 0.445 479 P HA -0.086 nan 4.420 nan 0.000 0.231 479 P C 0.068 177.353 177.300 -0.025 0.000 1.154 479 P CA 0.944 64.205 63.100 0.268 0.000 0.762 479 P CB -0.209 31.590 31.700 0.166 0.000 0.790 480 F N -3.326 116.657 119.950 0.055 0.000 2.746 480 F HA 0.274 4.806 4.527 0.010 0.000 0.320 480 F C 1.541 177.372 175.800 0.053 0.000 1.097 480 F CA 0.148 58.195 58.000 0.077 0.000 1.195 480 F CB -0.012 39.054 39.000 0.109 0.000 1.056 480 F HN -0.202 nan 8.300 nan 0.000 0.562 481 L N -1.030 120.288 121.223 0.157 0.000 2.685 481 L HA 0.249 4.595 4.340 0.010 0.000 0.235 481 L C 0.434 177.325 176.870 0.034 0.000 1.070 481 L CA 0.284 55.172 54.840 0.079 0.000 0.888 481 L CB 0.284 42.362 42.059 0.032 0.000 1.203 481 L HN -0.218 nan 8.230 nan 0.000 0.499 482 K N 0.393 120.793 120.400 0.000 0.000 2.258 482 K HA 0.513 4.839 4.320 0.010 0.000 0.236 482 K C -0.684 175.991 176.600 0.125 0.000 1.008 482 K CA -0.721 55.580 56.287 0.023 0.000 0.869 482 K CB 1.755 34.197 32.500 -0.097 0.000 1.171 482 K HN -0.104 nan 8.250 nan 0.000 0.447 483 E N -0.429 119.854 120.200 0.138 0.000 2.212 483 E HA 0.384 4.739 4.350 0.010 0.000 0.270 483 E C 0.126 176.798 176.600 0.119 0.000 0.956 483 E CA -0.612 55.854 56.400 0.110 0.000 0.825 483 E CB 1.533 31.267 29.700 0.056 0.000 1.167 483 E HN 0.854 nan 8.360 nan 0.000 0.400 484 G N 0.695 109.517 108.800 0.037 0.000 2.135 484 G HA2 -0.168 3.797 3.960 0.010 0.000 0.183 484 G HA3 -0.168 3.797 3.960 0.010 0.000 0.183 484 G C 0.002 174.825 174.900 -0.128 0.000 1.004 484 G CA -0.197 44.876 45.100 -0.045 0.000 0.677 484 G HN 0.653 nan 8.290 nan 0.000 0.512 485 A N 0.982 123.757 122.820 -0.075 0.000 2.302 485 A HA 0.751 5.077 4.320 0.010 0.000 0.295 485 A C 1.082 178.598 177.584 -0.112 0.000 1.235 485 A CA 0.790 52.756 52.037 -0.119 0.000 0.876 485 A CB 0.223 19.209 19.000 -0.023 0.000 1.133 485 A HN 1.997 nan 8.150 nan 0.000 0.533 486 S N 1.843 117.475 115.700 -0.113 0.000 2.572 486 S HA 0.032 4.508 4.470 0.010 0.000 0.267 486 S C 0.922 175.478 174.600 -0.073 0.000 1.361 486 S CA 0.534 58.688 58.200 -0.077 0.000 1.009 486 S CB 0.612 63.782 63.200 -0.050 0.000 0.888 486 S HN 0.728 nan 8.310 nan 0.000 0.553 487 E N 0.625 120.789 120.200 -0.059 0.000 2.153 487 E HA -0.153 4.203 4.350 0.010 0.000 0.194 487 E C 1.933 178.499 176.600 -0.057 0.000 0.988 487 E CA 1.771 58.135 56.400 -0.060 0.000 0.811 487 E CB -0.320 29.354 29.700 -0.043 0.000 0.746 487 E HN 0.872 nan 8.360 nan 0.000 0.466 488 E N 0.368 120.544 120.200 -0.041 0.000 2.017 488 E HA -0.266 4.090 4.350 0.010 0.000 0.193 488 E C 2.083 178.630 176.600 -0.087 0.000 0.997 488 E CA 1.412 57.789 56.400 -0.038 0.000 0.804 488 E CB -0.250 29.456 29.700 0.011 0.000 0.757 488 E HN 0.363 nan 8.360 nan 0.000 0.448 489 E N 0.402 120.553 120.200 -0.081 0.000 2.058 489 E HA -0.218 4.137 4.350 0.010 0.000 0.194 489 E C 2.262 178.787 176.600 -0.125 0.000 0.997 489 E CA 1.619 57.912 56.400 -0.180 0.000 0.801 489 E CB -0.215 29.450 29.700 -0.058 0.000 0.746 489 E HN 0.407 nan 8.360 nan 0.000 0.450 490 I N 0.591 121.098 120.570 -0.106 0.000 2.185 490 I HA -0.356 3.820 4.170 0.010 0.000 0.246 490 I C 2.861 178.959 176.117 -0.032 0.000 1.088 490 I CA 1.577 62.790 61.300 -0.144 0.000 1.347 490 I CB -0.361 37.490 38.000 -0.248 0.000 1.041 490 I HN 0.148 nan 8.210 nan 0.000 0.415 491 R N 0.884 121.350 120.500 -0.057 0.000 2.066 491 R HA -0.204 4.141 4.340 0.010 0.000 0.232 491 R C 2.403 178.655 176.300 -0.080 0.000 1.131 491 R CA 1.577 57.651 56.100 -0.044 0.000 0.955 491 R CB -0.322 29.943 30.300 -0.058 0.000 0.851 491 R HN 0.264 nan 8.270 nan 0.000 0.432 492 L N 0.441 121.579 121.223 -0.143 0.000 1.989 492 L HA -0.180 4.165 4.340 0.010 0.000 0.211 492 L C 2.280 179.069 176.870 -0.135 0.000 1.071 492 L CA 2.530 57.253 54.840 -0.195 0.000 0.749 492 L CB -1.070 40.763 42.059 -0.378 0.000 0.890 492 L HN 0.208 nan 8.230 nan 0.000 0.431 493 S N -1.013 114.646 115.700 -0.068 0.000 2.402 493 S HA -0.260 4.215 4.470 0.010 0.000 0.233 493 S C 2.084 176.642 174.600 -0.070 0.000 1.030 493 S CA 1.745 59.942 58.200 -0.006 0.000 1.003 493 S CB -0.319 62.990 63.200 0.181 0.000 0.813 493 S HN 0.596 nan 8.310 nan 0.000 0.477 494 K N 0.392 120.771 120.400 -0.035 0.000 1.984 494 K HA -0.062 4.264 4.320 0.010 0.000 0.209 494 K C 2.375 178.871 176.600 -0.173 0.000 1.046 494 K CA 1.620 57.834 56.287 -0.120 0.000 0.934 494 K CB -0.382 32.103 32.500 -0.025 0.000 0.717 494 K HN 0.519 nan 8.250 nan 0.000 0.438 495 M N 1.160 120.644 119.600 -0.194 0.000 2.073 495 M HA -0.218 4.268 4.480 0.010 0.000 0.258 495 M C 1.885 177.966 176.300 -0.364 0.000 1.070 495 M CA 1.851 56.949 55.300 -0.336 0.000 1.103 495 M CB -0.192 32.207 32.600 -0.335 0.000 1.321 495 M HN -0.063 nan 8.290 nan 0.000 0.405 496 V N 0.965 120.737 119.914 -0.235 0.000 2.407 496 V HA -0.309 3.817 4.120 0.010 0.000 0.248 496 V C 2.551 178.518 176.094 -0.212 0.000 1.055 496 V CA 2.140 64.316 62.300 -0.206 0.000 1.049 496 V CB -0.846 30.724 31.823 -0.422 0.000 0.662 496 V HN 0.595 nan 8.190 nan 0.000 0.455 497 M N -0.426 119.027 119.600 -0.244 0.000 2.086 497 M HA -0.224 4.262 4.480 0.010 0.000 0.261 497 M C 2.397 178.697 176.300 0.001 0.000 1.067 497 M CA 1.923 57.112 55.300 -0.186 0.000 1.116 497 M CB -0.547 31.908 32.600 -0.242 0.000 1.348 497 M HN 0.240 nan 8.290 nan 0.000 0.407 498 K N 0.188 120.574 120.400 -0.022 0.000 2.097 498 K HA -0.105 4.221 4.320 0.010 0.000 0.205 498 K C 1.832 178.570 176.600 0.231 0.000 1.050 498 K CA 1.290 57.606 56.287 0.048 0.000 0.938 498 K CB -0.105 32.370 32.500 -0.042 0.000 0.718 498 K HN 0.210 nan 8.250 nan 0.000 0.442 499 F N -0.259 119.816 119.950 0.208 0.000 2.069 499 F HA -0.298 4.234 4.527 0.009 0.000 0.298 499 F C 2.378 178.392 175.800 0.358 0.000 1.113 499 F CA 0.723 58.924 58.000 0.336 0.000 1.214 499 F CB -0.214 39.127 39.000 0.568 0.000 0.978 499 F HN 0.275 nan 8.300 nan 0.000 0.474 500 W N 0.221 121.622 121.300 0.169 0.000 2.311 500 W HA -0.306 4.359 4.660 0.009 0.000 0.326 500 W C 2.683 179.197 176.519 -0.009 0.000 1.239 500 W CA 0.970 58.322 57.345 0.011 0.000 1.258 500 W CB -0.755 28.640 29.460 -0.109 0.000 1.165 500 W HN 0.007 nan 8.180 nan 0.000 0.466 501 A N 0.382 123.330 122.820 0.213 0.000 1.940 501 A HA -0.266 4.060 4.320 0.010 0.000 0.219 501 A C 1.619 179.248 177.584 0.075 0.000 1.176 501 A CA 2.198 54.285 52.037 0.083 0.000 0.631 501 A CB -1.087 17.951 19.000 0.064 0.000 0.814 501 A HN 0.343 nan 8.150 nan 0.000 0.446 502 N N -1.181 117.603 118.700 0.139 0.000 2.104 502 N HA -0.136 4.610 4.740 0.010 0.000 0.190 502 N C 1.269 176.809 175.510 0.050 0.000 1.024 502 N CA 1.514 54.632 53.050 0.115 0.000 0.853 502 N CB -0.473 38.138 38.487 0.207 0.000 1.008 502 N HN 0.518 nan 8.380 nan 0.000 0.424 503 F N 0.737 120.596 119.950 -0.150 0.000 2.407 503 F HA 0.140 4.673 4.527 0.009 0.000 0.299 503 F C 1.928 177.606 175.800 -0.203 0.000 1.097 503 F CA 0.731 58.557 58.000 -0.290 0.000 1.422 503 F CB -0.225 38.480 39.000 -0.492 0.000 1.067 503 F HN 0.022 nan 8.300 nan 0.000 0.539 504 A N 0.097 122.804 122.820 -0.188 0.000 2.016 504 A HA -0.004 4.322 4.320 0.010 0.000 0.217 504 A C 2.333 179.805 177.584 -0.187 0.000 1.162 504 A CA 0.775 52.674 52.037 -0.231 0.000 0.662 504 A CB -0.445 18.478 19.000 -0.128 0.000 0.812 504 A HN 0.376 nan 8.150 nan 0.000 0.450 505 R N 0.166 120.589 120.500 -0.129 0.000 2.062 505 R HA -0.011 4.335 4.340 0.010 0.000 0.226 505 R C 0.281 176.511 176.300 -0.117 0.000 1.125 505 R CA 1.440 57.486 56.100 -0.089 0.000 0.966 505 R CB -0.041 30.239 30.300 -0.034 0.000 0.861 505 R HN 0.742 nan 8.270 nan 0.000 0.433 506 N N -1.432 117.182 118.700 -0.144 0.000 2.387 506 N HA 0.072 4.818 4.740 0.010 0.000 0.259 506 N C 0.071 175.467 175.510 -0.189 0.000 1.369 506 N CA 0.438 53.409 53.050 -0.132 0.000 0.867 506 N CB 1.706 40.159 38.487 -0.057 0.000 1.341 506 N HN 0.213 nan 8.380 nan 0.000 0.495 507 G N 1.772 110.321 108.800 -0.419 0.000 2.305 507 G HA2 -0.301 3.664 3.960 0.010 0.000 0.287 507 G HA3 -0.301 3.664 3.960 0.010 0.000 0.287 507 G C -0.406 174.429 174.900 -0.109 0.000 1.036 507 G CA 0.416 45.162 45.100 -0.590 0.000 0.887 507 G HN 0.601 nan 8.290 nan 0.000 0.505 508 N N -0.716 117.940 118.700 -0.073 0.000 2.578 508 N HA 0.301 5.047 4.740 0.010 0.000 0.282 508 N C -1.545 173.872 175.510 -0.155 0.000 1.119 508 N CA -1.151 51.826 53.050 -0.120 0.000 0.948 508 N CB 2.091 40.590 38.487 0.020 0.000 1.546 508 N HN -0.045 nan 8.380 nan 0.000 0.525 509 P HA -0.064 nan 4.420 nan 0.000 0.221 509 P C -0.106 177.229 177.300 0.058 0.000 1.150 509 P CA 0.605 63.518 63.100 -0.312 0.000 0.800 509 P CB 0.368 31.459 31.700 -1.016 0.000 0.787 510 N N 0.503 119.238 118.700 0.058 0.000 2.441 510 N HA 0.233 4.979 4.740 0.010 0.000 0.251 510 N C 1.003 176.671 175.510 0.263 0.000 1.242 510 N CA 1.023 54.236 53.050 0.272 0.000 0.898 510 N CB 0.750 39.412 38.487 0.291 0.000 1.100 510 N HN 0.173 nan 8.380 nan 0.000 0.443 511 G N 0.500 109.480 108.800 0.299 0.000 2.827 511 G HA2 0.268 4.233 3.960 0.010 0.000 0.202 511 G HA3 0.268 4.233 3.960 0.010 0.000 0.202 511 G C -1.567 173.431 174.900 0.163 0.000 1.185 511 G CA -0.539 44.681 45.100 0.200 0.000 0.920 511 G HN 0.551 nan 8.290 nan 0.000 0.550 512 E N -0.308 119.963 120.200 0.117 0.000 2.166 512 E HA 0.502 4.858 4.350 0.010 0.000 0.275 512 E C 0.580 177.222 176.600 0.070 0.000 0.941 512 E CA -0.578 55.874 56.400 0.086 0.000 0.784 512 E CB 1.709 31.446 29.700 0.061 0.000 1.115 512 E HN 1.774 nan 8.360 nan 0.000 0.399 513 G N 2.774 111.614 108.800 0.066 0.000 2.148 513 G HA2 -0.279 3.687 3.960 0.010 0.000 0.254 513 G HA3 -0.279 3.687 3.960 0.010 0.000 0.254 513 G C -0.145 174.773 174.900 0.030 0.000 0.981 513 G CA 0.261 45.385 45.100 0.041 0.000 0.670 513 G HN 0.438 nan 8.290 nan 0.000 0.528 514 L N 0.240 121.513 121.223 0.084 0.000 2.346 514 L HA 0.527 4.873 4.340 0.010 0.000 0.274 514 L C -1.915 175.113 176.870 0.263 0.000 1.007 514 L CA -2.424 52.465 54.840 0.082 0.000 0.818 514 L CB 1.852 43.954 42.059 0.071 0.000 1.284 514 L HN -0.157 nan 8.230 nan 0.000 0.424 515 P HA -0.061 nan 4.420 nan 0.000 0.266 515 P C -0.805 176.759 177.300 0.440 0.000 1.193 515 P CA -0.018 63.266 63.100 0.306 0.000 0.770 515 P CB 0.226 32.075 31.700 0.247 0.000 0.836 516 H N 2.439 121.643 119.070 0.223 0.000 2.886 516 H HA 0.123 4.685 4.556 0.010 0.000 0.329 516 H C -1.061 174.416 175.328 0.249 0.000 1.044 516 H CA 0.012 56.196 56.048 0.228 0.000 1.456 516 H CB 0.164 30.020 29.762 0.155 0.000 1.464 516 H HN 0.362 nan 8.280 nan 0.000 0.573 517 W N 9.550 130.625 121.300 -0.376 0.000 2.338 517 W HA 0.312 4.977 4.660 0.009 0.000 0.315 517 W C -2.776 173.449 176.519 -0.491 0.000 1.005 517 W CA -3.160 53.953 57.345 -0.388 0.000 1.380 517 W CB 1.000 30.264 29.460 -0.327 0.000 1.235 517 W HN 0.577 nan 8.180 nan 0.000 0.409 518 P HA -0.011 nan 4.420 nan 0.000 0.271 518 P C -0.195 177.132 177.300 0.044 0.000 1.216 518 P CA 0.304 63.358 63.100 -0.078 0.000 0.771 518 P CB 1.123 32.808 31.700 -0.025 0.000 0.864 519 E N 2.879 123.007 120.200 -0.119 0.000 2.414 519 E HA -0.093 4.263 4.350 0.010 0.000 0.263 519 E C -0.792 175.676 176.600 -0.220 0.000 1.000 519 E CA -0.418 55.683 56.400 -0.499 0.000 0.914 519 E CB 0.111 29.587 29.700 -0.373 0.000 0.948 519 E HN 0.360 nan 8.360 nan 0.000 0.444 520 Y N 6.194 126.279 120.300 -0.358 0.000 2.576 520 Y HA 0.034 4.590 4.550 0.010 0.000 0.348 520 Y C -0.228 175.617 175.900 -0.093 0.000 1.212 520 Y CA -0.023 58.008 58.100 -0.115 0.000 1.683 520 Y CB -0.708 37.714 38.460 -0.064 0.000 1.484 520 Y HN 0.562 nan 8.280 nan 0.000 0.477 521 N N 0.617 119.135 118.700 -0.303 0.000 2.909 521 N HA 0.116 4.862 4.740 0.010 0.000 0.326 521 N C 0.696 175.996 175.510 -0.350 0.000 1.368 521 N CA -0.363 52.533 53.050 -0.256 0.000 0.797 521 N CB 0.243 38.648 38.487 -0.135 0.000 1.150 521 N HN 0.239 nan 8.380 nan 0.000 0.550 522 Q N -0.835 118.844 119.800 -0.201 0.000 2.291 522 Q HA -0.031 4.315 4.340 0.010 0.000 0.206 522 Q C 0.973 176.879 176.000 -0.157 0.000 0.976 522 Q CA 1.202 56.904 55.803 -0.168 0.000 0.875 522 Q CB -0.302 28.381 28.738 -0.091 0.000 0.927 522 Q HN 0.497 nan 8.270 nan 0.000 0.450 523 K N 0.800 121.114 120.400 -0.144 0.000 2.432 523 K HA -0.021 4.305 4.320 0.010 0.000 0.196 523 K C -0.084 176.454 176.600 -0.104 0.000 1.038 523 K CA 0.131 56.365 56.287 -0.088 0.000 0.986 523 K CB 0.262 32.732 32.500 -0.049 0.000 0.782 523 K HN 0.205 nan 8.250 nan 0.000 0.485 524 E N -0.645 119.391 120.200 -0.274 0.000 2.340 524 E HA -0.159 4.197 4.350 0.010 0.000 0.240 524 E C -0.213 176.451 176.600 0.107 0.000 1.154 524 E CA 0.304 56.500 56.400 -0.340 0.000 0.717 524 E CB -1.787 27.863 29.700 -0.082 0.000 1.250 524 E HN 0.415 nan 8.360 nan 0.000 0.386 525 G N 0.946 109.794 108.800 0.080 0.000 2.370 525 G HA2 0.443 4.409 3.960 0.010 0.000 0.272 525 G HA3 0.443 4.409 3.960 0.010 0.000 0.272 525 G C -0.329 174.783 174.900 0.354 0.000 1.208 525 G CA -0.177 45.018 45.100 0.159 0.000 0.856 525 G HN 0.277 nan 8.290 nan 0.000 0.500 526 Y N 1.018 121.435 120.300 0.196 0.000 2.698 526 Y HA 0.807 5.363 4.550 0.010 0.000 0.332 526 Y C -1.243 174.658 175.900 0.002 0.000 1.119 526 Y CA -2.012 56.217 58.100 0.215 0.000 1.109 526 Y CB 1.722 40.294 38.460 0.186 0.000 1.308 526 Y HN 0.544 nan 8.280 nan 0.000 0.499 527 L N 1.836 123.016 121.223 -0.072 0.000 2.346 527 L HA 0.502 4.848 4.340 0.010 0.000 0.276 527 L C -1.241 175.567 176.870 -0.104 0.000 1.006 527 L CA -0.877 53.662 54.840 -0.502 0.000 0.817 527 L CB 2.154 43.330 42.059 -1.473 0.000 1.272 527 L HN 0.798 nan 8.230 nan 0.000 0.421 528 Q N 5.927 125.651 119.800 -0.125 0.000 2.368 528 Q HA 0.517 4.863 4.340 0.010 0.000 0.256 528 Q C -1.021 174.961 176.000 -0.029 0.000 0.980 528 Q CA -0.248 55.590 55.803 0.058 0.000 0.887 528 Q CB 1.688 30.446 28.738 0.033 0.000 1.221 528 Q HN 0.589 nan 8.270 nan 0.000 0.458 529 I N 1.505 122.082 120.570 0.012 0.000 2.392 529 I HA 0.726 4.902 4.170 0.010 0.000 0.295 529 I C 0.673 176.638 176.117 -0.253 0.000 0.985 529 I CA -0.371 60.881 61.300 -0.079 0.000 1.221 529 I CB 1.627 39.638 38.000 0.018 0.000 1.366 529 I HN 0.807 nan 8.210 nan 0.000 0.467 530 G N 2.895 111.538 108.800 -0.262 0.000 2.441 530 G HA2 0.364 4.330 3.960 0.010 0.000 0.225 530 G HA3 0.364 4.330 3.960 0.010 0.000 0.225 530 G C 0.212 175.036 174.900 -0.127 0.000 1.200 530 G CA 0.132 45.076 45.100 -0.261 0.000 0.947 530 G HN 0.596 nan 8.290 nan 0.000 0.484 531 A N -0.262 122.570 122.820 0.020 0.000 1.841 531 A HA 0.127 4.452 4.320 0.010 0.000 0.216 531 A C 1.060 178.630 177.584 -0.024 0.000 1.199 531 A CA 1.502 53.560 52.037 0.036 0.000 0.621 531 A CB -0.634 18.413 19.000 0.077 0.000 0.835 531 A HN 0.485 nan 8.150 nan 0.000 0.445 532 N N 0.685 119.372 118.700 -0.021 0.000 2.422 532 N HA 0.323 5.069 4.740 0.010 0.000 0.266 532 N C -1.282 174.206 175.510 -0.036 0.000 1.007 532 N CA 0.177 53.212 53.050 -0.025 0.000 0.941 532 N CB 1.273 39.751 38.487 -0.016 0.000 1.115 532 N HN 0.219 nan 8.380 nan 0.000 0.492 533 T N 3.148 117.682 114.554 -0.034 0.000 2.771 533 T HA 0.379 4.735 4.350 0.010 0.000 0.281 533 T C -0.095 174.592 174.700 -0.022 0.000 0.982 533 T CA -0.738 61.342 62.100 -0.033 0.000 0.978 533 T CB 1.275 70.135 68.868 -0.013 0.000 0.930 533 T HN 0.468 nan 8.240 nan 0.000 0.447 534 Q N 1.621 121.388 119.800 -0.056 0.000 2.527 534 Q HA 0.657 5.002 4.340 0.010 0.000 0.280 534 Q C -1.398 174.515 176.000 -0.145 0.000 0.977 534 Q CA -1.108 54.657 55.803 -0.062 0.000 0.837 534 Q CB 1.471 30.185 28.738 -0.041 0.000 1.454 534 Q HN 0.620 nan 8.270 nan 0.000 0.387 535 A N 1.070 123.798 122.820 -0.152 0.000 2.310 535 A HA 0.877 5.203 4.320 0.010 0.000 0.260 535 A C -0.121 177.280 177.584 -0.306 0.000 1.112 535 A CA 0.543 52.429 52.037 -0.252 0.000 0.804 535 A CB 0.163 19.069 19.000 -0.157 0.000 1.081 535 A HN 1.421 nan 8.150 nan 0.000 0.499 536 A N -1.039 121.500 122.820 -0.468 0.000 2.536 536 A HA 0.671 4.997 4.320 0.010 0.000 0.293 536 A C -1.119 176.256 177.584 -0.348 0.000 1.119 536 A CA -0.551 51.224 52.037 -0.438 0.000 0.654 536 A CB 0.762 19.404 19.000 -0.598 0.000 1.291 536 A HN 0.813 nan 8.150 nan 0.000 0.439 537 Q N 0.224 119.959 119.800 -0.110 0.000 2.423 537 Q HA 0.591 4.937 4.340 0.010 0.000 0.278 537 Q C -1.476 174.653 176.000 0.215 0.000 1.097 537 Q CA -0.978 54.866 55.803 0.068 0.000 0.809 537 Q CB 2.092 30.850 28.738 0.034 0.000 1.391 537 Q HN 0.636 nan 8.270 nan 0.000 0.428 538 K N 1.205 121.759 120.400 0.256 0.000 5.393 538 K HA -0.202 4.124 4.320 0.010 0.000 0.381 538 K C -1.140 175.630 176.600 0.283 0.000 1.015 538 K CA -0.038 56.387 56.287 0.230 0.000 1.190 538 K CB -0.959 31.625 32.500 0.139 0.000 1.752 538 K HN 0.377 nan 8.250 nan 0.000 0.409 539 L N 3.310 124.684 121.223 0.252 0.000 2.260 539 L HA 0.217 4.562 4.340 0.010 0.000 0.289 539 L C 0.374 177.238 176.870 -0.010 0.000 1.057 539 L CA 0.241 55.055 54.840 -0.042 0.000 0.811 539 L CB 0.697 42.390 42.059 -0.611 0.000 1.184 539 L HN 0.398 nan 8.230 nan 0.000 0.429 540 K N 3.147 123.556 120.400 0.016 0.000 3.071 540 K HA -0.274 4.052 4.320 0.010 0.000 0.265 540 K C 0.719 177.374 176.600 0.091 0.000 1.060 540 K CA 1.135 57.455 56.287 0.056 0.000 0.767 540 K CB -1.350 31.173 32.500 0.040 0.000 1.241 540 K HN 0.947 nan 8.250 nan 0.000 0.486 541 D N 0.944 121.401 120.400 0.095 0.000 2.084 541 D HA -0.104 4.541 4.640 0.010 0.000 0.196 541 D C 1.774 178.134 176.300 0.100 0.000 0.985 541 D CA 1.692 55.752 54.000 0.100 0.000 0.826 541 D CB 0.151 41.007 40.800 0.093 0.000 0.978 541 D HN 0.450 nan 8.370 nan 0.000 0.456 542 K N -0.277 120.173 120.400 0.083 0.000 2.147 542 K HA -0.166 4.160 4.320 0.010 0.000 0.205 542 K C 1.876 178.551 176.600 0.126 0.000 1.049 542 K CA 1.064 57.395 56.287 0.074 0.000 0.936 542 K CB 0.077 32.588 32.500 0.019 0.000 0.722 542 K HN 0.008 nan 8.250 nan 0.000 0.446 543 E N 0.143 120.434 120.200 0.152 0.000 2.017 543 E HA -0.151 4.205 4.350 0.010 0.000 0.193 543 E C 1.866 178.697 176.600 0.386 0.000 0.997 543 E CA 1.448 58.022 56.400 0.291 0.000 0.804 543 E CB -0.194 29.680 29.700 0.289 0.000 0.757 543 E HN 0.045 nan 8.360 nan 0.000 0.448 544 V N 1.112 121.179 119.914 0.256 0.000 2.392 544 V HA -0.285 3.841 4.120 0.010 0.000 0.249 544 V C 2.064 178.281 176.094 0.205 0.000 1.059 544 V CA 1.654 64.082 62.300 0.214 0.000 1.051 544 V CB -1.027 30.872 31.823 0.126 0.000 0.658 544 V HN 0.330 nan 8.190 nan 0.000 0.455 545 A N 0.534 123.463 122.820 0.180 0.000 1.830 545 A HA -0.237 4.089 4.320 0.010 0.000 0.214 545 A C 2.054 179.737 177.584 0.165 0.000 1.218 545 A CA 2.047 54.172 52.037 0.146 0.000 0.628 545 A CB -1.053 18.023 19.000 0.126 0.000 0.860 545 A HN 0.472 nan 8.150 nan 0.000 0.454 546 F N -0.662 119.308 119.950 0.033 0.000 2.050 546 F HA -0.346 4.187 4.527 0.009 0.000 0.294 546 F C 2.125 177.940 175.800 0.026 0.000 1.113 546 F CA 2.469 60.447 58.000 -0.038 0.000 1.225 546 F CB -0.916 37.980 39.000 -0.172 0.000 0.953 546 F HN 0.447 nan 8.300 nan 0.000 0.501 547 W N 0.272 121.586 121.300 0.023 0.000 2.325 547 W HA -0.218 4.449 4.660 0.010 0.000 0.299 547 W C 2.600 179.084 176.519 -0.059 0.000 1.215 547 W CA 1.567 58.876 57.345 -0.060 0.000 1.244 547 W CB -0.822 28.719 29.460 0.134 0.000 1.140 547 W HN -0.034 nan 8.180 nan 0.000 0.523 548 T N -0.130 114.533 114.554 0.181 0.000 2.915 548 T HA -0.165 4.191 4.350 0.010 0.000 0.269 548 T C 1.257 176.006 174.700 0.082 0.000 1.071 548 T CA 1.486 63.654 62.100 0.114 0.000 1.132 548 T CB -0.346 68.566 68.868 0.074 0.000 0.878 548 T HN 0.097 nan 8.240 nan 0.000 0.479 549 N N 0.938 119.629 118.700 -0.015 0.000 2.106 549 N HA 0.016 4.761 4.740 0.010 0.000 0.188 549 N C 1.578 177.036 175.510 -0.086 0.000 1.029 549 N CA 0.632 53.641 53.050 -0.069 0.000 0.848 549 N CB -0.479 37.927 38.487 -0.134 0.000 1.007 549 N HN 0.148 nan 8.380 nan 0.000 0.423 550 L N -0.457 120.653 121.223 -0.187 0.000 1.976 550 L HA -0.029 4.317 4.340 0.010 0.000 0.209 550 L C 1.585 178.472 176.870 0.028 0.000 1.071 550 L CA 1.474 56.238 54.840 -0.127 0.000 0.746 550 L CB -0.640 41.304 42.059 -0.190 0.000 0.890 550 L HN 0.105 nan 8.230 nan 0.000 0.432 551 F N -0.253 119.708 119.950 0.019 0.000 2.373 551 F HA -0.200 4.332 4.527 0.009 0.000 0.300 551 F C 2.328 178.131 175.800 0.006 0.000 1.080 551 F CA 0.929 58.947 58.000 0.030 0.000 1.417 551 F CB -0.830 38.188 39.000 0.031 0.000 1.070 551 F HN 0.166 nan 8.300 nan 0.000 0.546 552 A N -0.716 122.184 122.820 0.134 0.000 2.225 552 A HA -0.076 4.250 4.320 0.010 0.000 0.215 552 A C 1.248 178.849 177.584 0.029 0.000 1.164 552 A CA 0.799 52.878 52.037 0.071 0.000 0.710 552 A CB -0.355 18.670 19.000 0.041 0.000 0.780 552 A HN 0.296 nan 8.150 nan 0.000 0.473 553 K N 0.000 120.399 120.400 -0.001 0.000 2.780 553 K HA 0.000 4.326 4.320 0.010 0.000 0.191 553 K CA 0.000 56.270 56.287 -0.028 0.000 0.838 553 K CB 0.000 32.492 32.500 -0.012 0.000 1.064 553 K HN 0.000 nan 8.250 nan 0.000 0.543