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 1u33_1_A DATA FIRST_RESID 2 DATA SEQUENCE YSPNTQQGRT SIVHLFEWRW VDIALEcERY LAPKGFGGVQ VSPPNENVAI DATA SEQUENCE YNPFRPWWER YQPVSYKLcT RSGNEDEFRN MVTRcNNVGV RIYVDAVINH DATA SEQUENCE MCGNAVSAGT SSTcGSYFNP GSRDFPAVPY SGWDFNDGKc KTGSGDIENY DATA SEQUENCE NDATQVRDcR LTGLLDLALE KDYVRSKIAE YMNHLIDIGV AGFRLDASKH DATA SEQUENCE MWPGDIKAIL DKLHNLNSNW FPAGSKPFIY QEVIDLGGEP IKSSDYFGNG DATA SEQUENCE RVTEFKYGAK LGTVIRKWNG EKMSYLKNWG EGWGFVPSDR ALVFVDNHDN DATA SEQUENCE QRGHGAGGAS ILTFWDARLY KMAVGFMLAH PYGFTRVMSS YRWPRQFQNG DATA SEQUENCE NDVNDWVGPP NNNGVIKEVT INPDTTcGND WVcEHRWRQI RNMVIFRNVV DATA SEQUENCE DGQPFTNWYD NGSNQVAFGR GNRGFIVFNN DDWSFSLTLQ TGLPAGTYcD DATA SEQUENCE VISGDKINGN cTGIKIYVSD DGKAHFSISN SAEDPFIAIH AESKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 Y HA 0.000 nan 4.550 nan 0.000 0.201 2 Y C 0.000 175.946 175.900 0.076 0.000 1.272 2 Y CA 0.000 58.185 58.100 0.142 0.000 1.940 2 Y CB 0.000 38.478 38.460 0.030 0.000 1.050 3 S N 2.983 118.733 115.700 0.084 0.000 2.475 3 S HA 0.338 4.808 4.470 -0.000 0.000 0.281 3 S C -1.896 172.388 174.600 -0.526 0.000 1.198 3 S CA -1.388 56.700 58.200 -0.188 0.000 1.063 3 S CB 1.198 64.346 63.200 -0.088 0.000 0.972 3 S HN -0.063 nan 8.310 nan 0.000 0.486 4 P HA 0.010 nan 4.420 nan 0.000 0.222 4 P C 0.015 177.024 177.300 -0.485 0.000 1.147 4 P CA 0.585 62.716 63.100 -1.616 0.000 0.790 4 P CB -0.050 30.525 31.700 -1.874 0.000 0.780 5 N N -2.356 116.195 118.700 -0.248 0.000 2.776 5 N HA -0.108 4.632 4.740 -0.000 0.000 0.250 5 N C -0.086 175.493 175.510 0.114 0.000 1.112 5 N CA 1.465 54.519 53.050 0.007 0.000 0.733 5 N CB -2.248 36.258 38.487 0.031 0.000 1.097 5 N HN 0.328 nan 8.380 nan 0.000 0.558 6 T N -2.352 112.213 114.554 0.019 0.000 2.828 6 T HA 0.197 4.547 4.350 -0.000 0.000 0.290 6 T C 0.501 175.235 174.700 0.056 0.000 1.019 6 T CA -0.531 61.619 62.100 0.083 0.000 1.031 6 T CB 1.892 70.814 68.868 0.090 0.000 1.001 6 T HN 0.208 nan 8.240 nan 0.000 0.531 7 Q N 1.289 121.116 119.800 0.045 0.000 2.281 7 Q HA 0.046 4.386 4.340 -0.000 0.000 0.267 7 Q C 0.240 176.248 176.000 0.015 0.000 1.053 7 Q CA -0.279 55.534 55.803 0.017 0.000 0.905 7 Q CB 0.258 28.993 28.738 -0.005 0.000 1.195 7 Q HN 0.755 nan 8.270 nan 0.000 0.398 8 Q N 3.255 123.061 119.800 0.010 0.000 3.520 8 Q HA -0.239 4.101 4.340 -0.000 0.000 0.395 8 Q C 0.606 176.606 176.000 -0.001 0.000 1.035 8 Q CA 1.500 57.306 55.803 0.004 0.000 1.260 8 Q CB -0.301 28.438 28.738 0.002 0.000 1.061 8 Q HN 1.036 nan 8.270 nan 0.000 0.469 9 G N 3.768 112.567 108.800 -0.002 0.000 2.313 9 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.215 9 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.215 9 G C -0.206 174.684 174.900 -0.016 0.000 1.023 9 G CA -0.030 45.061 45.100 -0.014 0.000 0.626 9 G HN 0.610 nan 8.290 nan 0.000 0.503 10 R N 1.537 122.039 120.500 0.003 0.000 2.267 10 R HA 0.492 4.832 4.340 -0.000 0.000 0.319 10 R C 1.147 177.477 176.300 0.050 0.000 1.067 10 R CA 0.653 56.758 56.100 0.008 0.000 0.936 10 R CB 0.681 31.002 30.300 0.035 0.000 1.006 10 R HN 0.370 nan 8.270 nan 0.000 0.452 11 T N -2.332 112.217 114.554 -0.010 0.000 3.129 11 T HA 0.232 4.582 4.350 -0.000 0.000 0.267 11 T C 0.274 174.775 174.700 -0.332 0.000 1.018 11 T CA -0.341 61.752 62.100 -0.011 0.000 0.903 11 T CB 0.423 69.253 68.868 -0.063 0.000 1.067 11 T HN 0.282 nan 8.240 nan 0.000 0.549 12 S N 1.289 116.837 115.700 -0.253 0.000 2.588 12 S HA 0.765 5.235 4.470 -0.000 0.000 0.275 12 S C -0.838 173.728 174.600 -0.056 0.000 1.130 12 S CA -1.101 56.853 58.200 -0.409 0.000 0.855 12 S CB 1.772 64.777 63.200 -0.326 0.000 1.116 12 S HN 0.588 nan 8.310 nan 0.000 0.472 13 I N -0.855 119.689 120.570 -0.043 0.000 2.740 13 I HA 0.912 5.082 4.170 -0.000 0.000 0.303 13 I C -0.871 175.325 176.117 0.131 0.000 1.044 13 I CA -1.078 60.315 61.300 0.155 0.000 1.064 13 I CB 1.745 39.850 38.000 0.175 0.000 1.249 13 I HN 0.430 nan 8.210 nan 0.000 0.433 14 V N 3.987 123.987 119.914 0.144 0.000 2.555 14 V HA 0.413 4.533 4.120 -0.000 0.000 0.302 14 V C -0.989 175.117 176.094 0.020 0.000 1.038 14 V CA -0.350 61.975 62.300 0.042 0.000 0.887 14 V CB 1.550 33.284 31.823 -0.147 0.000 0.991 14 V HN 0.875 nan 8.190 nan 0.000 0.434 15 H N 6.783 125.805 119.070 -0.081 0.000 2.820 15 H HA 0.393 4.949 4.556 -0.000 0.000 0.278 15 H C -0.257 174.986 175.328 -0.141 0.000 1.142 15 H CA -0.531 55.494 56.048 -0.039 0.000 1.346 15 H CB 0.369 30.145 29.762 0.022 0.000 1.438 15 H HN 0.625 nan 8.280 nan 0.000 0.473 16 L N 6.902 127.964 121.223 -0.268 0.000 2.423 16 L HA 0.072 4.412 4.340 -0.000 0.000 0.249 16 L C 0.125 176.817 176.870 -0.297 0.000 1.276 16 L CA -0.553 53.820 54.840 -0.778 0.000 1.199 16 L CB -0.839 40.520 42.059 -1.166 0.000 1.407 16 L HN 0.472 nan 8.230 nan 0.000 0.410 17 F N 4.143 123.790 119.950 -0.506 0.000 2.569 17 F HA -0.055 4.472 4.527 -0.000 0.000 0.395 17 F C 1.368 177.379 175.800 0.352 0.000 1.028 17 F CA 0.279 58.086 58.000 -0.322 0.000 1.158 17 F CB -0.115 38.611 39.000 -0.458 0.000 1.023 17 F HN 0.488 nan 8.300 nan 0.000 0.547 18 E N 2.467 122.657 120.200 -0.016 0.000 3.496 18 E HA -0.301 4.049 4.350 -0.000 0.000 0.300 18 E C -0.560 176.170 176.600 0.217 0.000 0.877 18 E CA 0.929 57.323 56.400 -0.011 0.000 1.050 18 E CB -1.702 27.852 29.700 -0.242 0.000 1.532 18 E HN 0.626 nan 8.360 nan 0.000 0.447 19 W N 1.717 122.953 121.300 -0.106 0.000 2.170 19 W HA 0.212 4.871 4.660 -0.001 0.000 0.336 19 W C 1.504 177.855 176.519 -0.280 0.000 1.283 19 W CA -0.029 57.133 57.345 -0.306 0.000 1.224 19 W CB 0.277 29.556 29.460 -0.301 0.000 1.132 19 W HN -0.096 nan 8.180 nan 0.000 0.571 20 R N 1.873 122.283 120.500 -0.150 0.000 2.582 20 R HA 0.094 4.434 4.340 -0.000 0.000 0.271 20 R C 1.071 177.379 176.300 0.013 0.000 1.078 20 R CA -0.361 55.573 56.100 -0.276 0.000 1.127 20 R CB 0.550 30.712 30.300 -0.230 0.000 1.038 20 R HN 0.694 nan 8.270 nan 0.000 0.500 21 W N 0.455 121.796 121.300 0.069 0.000 2.335 21 W HA -0.237 4.422 4.660 -0.000 0.000 0.311 21 W C 1.989 178.513 176.519 0.009 0.000 1.213 21 W CA 0.234 57.608 57.345 0.050 0.000 1.274 21 W CB -0.419 29.089 29.460 0.080 0.000 1.148 21 W HN 0.427 nan 8.180 nan 0.000 0.498 22 V N 1.232 121.278 119.914 0.221 0.000 2.392 22 V HA -0.280 3.840 4.120 -0.000 0.000 0.249 22 V C 1.748 177.883 176.094 0.069 0.000 1.059 22 V CA 2.407 64.773 62.300 0.109 0.000 1.051 22 V CB -0.546 31.309 31.823 0.055 0.000 0.658 22 V HN 0.100 nan 8.190 nan 0.000 0.455 23 D N -0.227 120.201 120.400 0.047 0.000 2.149 23 D HA -0.070 4.570 4.640 -0.000 0.000 0.201 23 D C 2.088 178.505 176.300 0.193 0.000 0.972 23 D CA 1.692 55.701 54.000 0.014 0.000 0.835 23 D CB -0.042 40.629 40.800 -0.216 0.000 0.966 23 D HN 0.503 nan 8.370 nan 0.000 0.476 24 I N 1.438 122.167 120.570 0.265 0.000 2.202 24 I HA -0.235 3.935 4.170 -0.000 0.000 0.242 24 I C 2.606 178.770 176.117 0.078 0.000 1.091 24 I CA 0.835 62.256 61.300 0.201 0.000 1.368 24 I CB -0.252 37.855 38.000 0.178 0.000 1.058 24 I HN -0.098 nan 8.210 nan 0.000 0.410 25 A N 1.198 124.054 122.820 0.059 0.000 1.892 25 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 25 A C 2.313 179.908 177.584 0.019 0.000 1.188 25 A CA 1.650 53.688 52.037 0.002 0.000 0.631 25 A CB -0.984 18.018 19.000 0.003 0.000 0.822 25 A HN 0.386 nan 8.150 nan 0.000 0.447 26 L N -1.204 120.046 121.223 0.045 0.000 2.046 26 L HA -0.198 4.141 4.340 -0.000 0.000 0.208 26 L C 2.678 179.593 176.870 0.074 0.000 1.077 26 L CA 1.743 56.612 54.840 0.048 0.000 0.747 26 L CB -0.450 41.631 42.059 0.037 0.000 0.896 26 L HN 0.464 nan 8.230 nan 0.000 0.432 27 E N -0.354 119.913 120.200 0.111 0.000 2.110 27 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 27 E C 2.247 178.900 176.600 0.089 0.000 0.988 27 E CA 1.463 57.948 56.400 0.143 0.000 0.804 27 E CB -0.250 29.571 29.700 0.202 0.000 0.745 27 E HN 0.431 nan 8.360 nan 0.000 0.458 28 c N 0.504 119.121 118.600 0.028 0.000 2.432 28 c HA -0.109 4.461 4.570 -0.000 0.000 0.277 28 c C 2.349 176.451 174.090 0.020 0.000 1.249 28 c CA 1.242 57.569 56.329 -0.004 0.000 1.725 28 c CB -0.884 41.593 42.510 -0.054 0.000 2.028 28 c HN 0.541 nan 8.230 nan 0.000 0.477 29 E N 0.435 120.650 120.200 0.025 0.000 2.072 29 E HA -0.157 4.193 4.350 -0.000 0.000 0.190 29 E C 2.354 178.986 176.600 0.053 0.000 0.982 29 E CA 0.923 57.339 56.400 0.028 0.000 0.803 29 E CB -0.240 29.472 29.700 0.020 0.000 0.755 29 E HN 0.699 nan 8.360 nan 0.000 0.453 30 R N -0.868 119.684 120.500 0.086 0.000 2.210 30 R HA -0.005 4.335 4.340 -0.000 0.000 0.203 30 R C 1.173 177.590 176.300 0.195 0.000 1.010 30 R CA 0.978 57.149 56.100 0.119 0.000 1.008 30 R CB 0.052 30.423 30.300 0.118 0.000 0.923 30 R HN 0.221 nan 8.270 nan 0.000 0.469 31 Y N 0.262 120.586 120.300 0.040 0.000 3.116 31 Y HA 0.264 4.814 4.550 -0.000 0.000 0.220 31 Y C 1.861 177.802 175.900 0.069 0.000 0.965 31 Y CA -0.166 57.966 58.100 0.054 0.000 1.476 31 Y CB 0.181 38.668 38.460 0.045 0.000 1.493 31 Y HN -0.177 nan 8.280 nan 0.000 0.423 32 L N 0.493 121.805 121.223 0.148 0.000 2.043 32 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 32 L C 2.556 179.506 176.870 0.133 0.000 1.075 32 L CA 1.607 56.500 54.840 0.088 0.000 0.752 32 L CB -0.969 41.083 42.059 -0.013 0.000 0.891 32 L HN 0.380 nan 8.230 nan 0.000 0.432 33 A N 0.399 123.255 122.820 0.059 0.000 1.841 33 A HA -0.075 4.244 4.320 -0.000 0.000 0.214 33 A C 0.180 177.775 177.584 0.019 0.000 1.195 33 A CA 1.424 53.483 52.037 0.036 0.000 0.611 33 A CB -1.799 17.209 19.000 0.012 0.000 0.835 33 A HN 0.269 nan 8.150 nan 0.000 0.443 34 P HA -0.115 nan 4.420 nan 0.000 0.215 34 P C 0.724 177.986 177.300 -0.063 0.000 1.153 34 P CA 1.331 64.407 63.100 -0.040 0.000 0.853 34 P CB -0.019 31.648 31.700 -0.055 0.000 0.788 35 K N -1.303 119.033 120.400 -0.107 0.000 2.487 35 K HA 0.265 4.585 4.320 -0.000 0.000 0.192 35 K C 1.154 177.763 176.600 0.015 0.000 1.027 35 K CA 0.665 56.904 56.287 -0.080 0.000 1.054 35 K CB -1.069 31.289 32.500 -0.236 0.000 0.824 35 K HN 0.126 nan 8.250 nan 0.000 0.510 36 G N 0.643 109.465 108.800 0.037 0.000 2.176 36 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.252 36 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.252 36 G C -0.293 174.585 174.900 -0.035 0.000 1.024 36 G CA -0.347 44.746 45.100 -0.012 0.000 0.755 36 G HN 0.199 nan 8.290 nan 0.000 0.507 37 F N 0.317 120.261 119.950 -0.010 0.000 2.429 37 F HA 0.502 5.029 4.527 -0.000 0.000 0.348 37 F C 1.839 177.655 175.800 0.026 0.000 1.109 37 F CA 0.805 58.814 58.000 0.016 0.000 1.232 37 F CB 1.293 40.315 39.000 0.037 0.000 1.157 37 F HN 0.006 nan 8.300 nan 0.000 0.564 38 G N 1.505 110.418 108.800 0.188 0.000 2.394 38 G HA2 0.362 4.322 3.960 -0.000 0.000 0.215 38 G HA3 0.362 4.322 3.960 -0.000 0.000 0.215 38 G C 0.532 175.580 174.900 0.245 0.000 1.165 38 G CA 0.757 45.972 45.100 0.193 0.000 0.784 38 G HN 1.019 nan 8.290 nan 0.000 0.535 39 G N -2.221 106.760 108.800 0.302 0.000 2.489 39 G HA2 0.461 4.421 3.960 -0.000 0.000 0.305 39 G HA3 0.461 4.421 3.960 -0.000 0.000 0.305 39 G C -2.198 172.853 174.900 0.252 0.000 1.311 39 G CA -0.165 45.117 45.100 0.303 0.000 0.813 39 G HN 0.507 nan 8.290 nan 0.000 0.480 40 V N 0.423 120.460 119.914 0.204 0.000 2.638 40 V HA 0.557 4.677 4.120 -0.000 0.000 0.306 40 V C -0.225 176.019 176.094 0.249 0.000 1.052 40 V CA -0.657 61.716 62.300 0.122 0.000 0.885 40 V CB 1.650 33.439 31.823 -0.056 0.000 0.999 40 V HN 0.845 nan 8.190 nan 0.000 0.424 41 Q N 3.394 123.356 119.800 0.270 0.000 2.296 41 Q HA 0.614 4.953 4.340 -0.000 0.000 0.257 41 Q C -0.620 175.574 176.000 0.324 0.000 0.942 41 Q CA -0.440 55.552 55.803 0.315 0.000 0.939 41 Q CB 1.799 30.679 28.738 0.237 0.000 1.198 41 Q HN 0.813 nan 8.270 nan 0.000 0.429 42 V N 1.200 121.287 119.914 0.289 0.000 2.834 42 V HA 0.581 4.701 4.120 -0.000 0.000 0.313 42 V C 0.081 176.447 176.094 0.453 0.000 1.060 42 V CA -0.809 61.724 62.300 0.388 0.000 0.989 42 V CB 1.686 33.709 31.823 0.332 0.000 1.041 42 V HN 0.756 nan 8.190 nan 0.000 0.459 43 S N 2.939 118.961 115.700 0.537 0.000 2.593 43 S HA 0.350 4.819 4.470 -0.000 0.000 0.269 43 S C -2.390 172.432 174.600 0.370 0.000 1.334 43 S CA -0.412 58.049 58.200 0.434 0.000 1.015 43 S CB 0.310 63.709 63.200 0.331 0.000 0.912 43 S HN 0.847 nan 8.310 nan 0.000 0.541 44 P HA -0.015 nan 4.420 nan 0.000 0.255 44 P C -1.854 175.584 177.300 0.231 0.000 1.161 44 P CA -0.506 62.675 63.100 0.134 0.000 0.768 44 P CB 0.050 31.701 31.700 -0.081 0.000 0.746 45 P HA -0.060 nan 4.420 nan 0.000 0.249 45 P C -0.184 177.200 177.300 0.141 0.000 1.229 45 P CA 0.616 63.868 63.100 0.255 0.000 0.788 45 P CB 0.210 31.752 31.700 -0.263 0.000 1.072 46 N N 0.678 119.447 118.700 0.115 0.000 2.508 46 N HA 0.044 4.784 4.740 -0.000 0.000 0.285 46 N C -0.194 175.289 175.510 -0.045 0.000 1.144 46 N CA -0.453 52.600 53.050 0.005 0.000 0.978 46 N CB 1.324 39.727 38.487 -0.140 0.000 1.180 46 N HN -0.019 nan 8.380 nan 0.000 0.484 47 E N 0.668 120.819 120.200 -0.081 0.000 2.529 47 E HA -0.100 4.250 4.350 -0.000 0.000 0.259 47 E C -0.371 176.133 176.600 -0.160 0.000 0.966 47 E CA 0.015 56.353 56.400 -0.103 0.000 0.937 47 E CB 0.286 29.924 29.700 -0.104 0.000 0.923 47 E HN 0.741 nan 8.360 nan 0.000 0.468 48 N N 2.012 120.620 118.700 -0.154 0.000 2.577 48 N HA 0.254 4.994 4.740 -0.000 0.000 0.285 48 N C -0.872 174.508 175.510 -0.216 0.000 1.309 48 N CA -0.762 52.181 53.050 -0.179 0.000 0.798 48 N CB 0.962 39.369 38.487 -0.134 0.000 1.463 48 N HN 0.185 nan 8.380 nan 0.000 0.518 49 V N 0.264 120.051 119.914 -0.210 0.000 2.637 49 V HA 0.324 4.444 4.120 -0.000 0.000 0.296 49 V C 0.661 176.672 176.094 -0.139 0.000 1.046 49 V CA -0.570 61.627 62.300 -0.171 0.000 1.066 49 V CB 0.561 32.359 31.823 -0.042 0.000 0.968 49 V HN 0.837 nan 8.190 nan 0.000 0.483 50 A N 7.032 129.785 122.820 -0.113 0.000 2.316 50 A HA 0.618 4.937 4.320 -0.000 0.000 0.311 50 A C -0.250 177.107 177.584 -0.379 0.000 1.339 50 A CA -0.323 51.543 52.037 -0.286 0.000 0.960 50 A CB -0.293 18.596 19.000 -0.185 0.000 1.152 50 A HN 0.767 nan 8.150 nan 0.000 0.547 51 I N 2.826 123.097 120.570 -0.499 0.000 2.315 51 I HA 0.194 4.363 4.170 -0.000 0.000 0.291 51 I C -0.192 175.550 176.117 -0.626 0.000 1.006 51 I CA -0.107 60.953 61.300 -0.400 0.000 1.265 51 I CB 1.091 38.907 38.000 -0.307 0.000 1.387 51 I HN 0.785 nan 8.210 nan 0.000 0.475 52 Y N 3.414 123.651 120.300 -0.105 0.000 2.449 52 Y HA 0.159 4.708 4.550 -0.001 0.000 0.254 52 Y C 0.730 176.624 175.900 -0.010 0.000 1.140 52 Y CA -0.268 57.808 58.100 -0.040 0.000 1.272 52 Y CB 0.214 38.701 38.460 0.045 0.000 1.114 52 Y HN 0.512 nan 8.280 nan 0.000 0.525 53 N N 1.448 120.160 118.700 0.020 0.000 2.609 53 N HA 0.227 4.966 4.740 -0.000 0.000 0.268 53 N C -2.908 172.532 175.510 -0.117 0.000 1.106 53 N CA -1.833 51.193 53.050 -0.041 0.000 0.823 53 N CB 1.137 39.632 38.487 0.014 0.000 1.263 53 N HN -0.146 nan 8.380 nan 0.000 0.533 54 P HA 0.189 nan 4.420 nan 0.000 0.277 54 P C -0.515 176.587 177.300 -0.330 0.000 1.276 54 P CA -0.438 62.315 63.100 -0.580 0.000 0.788 54 P CB 0.643 31.479 31.700 -1.441 0.000 1.114 55 F N 2.171 121.944 119.950 -0.296 0.000 2.487 55 F HA 0.098 4.625 4.527 -0.001 0.000 0.364 55 F C 0.795 176.577 175.800 -0.030 0.000 1.126 55 F CA -0.136 57.839 58.000 -0.042 0.000 1.135 55 F CB -0.226 38.839 39.000 0.108 0.000 1.127 55 F HN 0.213 nan 8.300 nan 0.000 0.559 56 R N 3.587 123.582 120.500 -0.842 0.000 3.038 56 R HA -0.166 4.174 4.340 -0.000 0.000 0.242 56 R C -2.603 173.417 176.300 -0.466 0.000 0.866 56 R CA 0.276 55.909 56.100 -0.778 0.000 0.601 56 R CB -2.432 27.284 30.300 -0.973 0.000 1.107 56 R HN 0.416 nan 8.270 nan 0.000 0.492 57 P HA -0.054 nan 4.420 nan 0.000 0.272 57 P C 1.570 178.509 177.300 -0.602 0.000 1.223 57 P CA -0.467 62.270 63.100 -0.605 0.000 0.784 57 P CB 0.264 31.085 31.700 -1.466 0.000 0.923 58 W N 3.887 125.047 121.300 -0.234 0.000 2.321 58 W HA -0.160 4.499 4.660 -0.001 0.000 0.306 58 W C 1.805 178.431 176.519 0.178 0.000 1.217 58 W CA 1.110 58.461 57.345 0.009 0.000 1.257 58 W CB -2.056 27.589 29.460 0.309 0.000 1.145 58 W HN 0.490 nan 8.180 nan 0.000 0.509 59 W N 3.436 124.192 121.300 -0.908 0.000 2.632 59 W HA -0.087 4.573 4.660 -0.000 0.000 0.248 59 W C 1.659 178.085 176.519 -0.155 0.000 1.259 59 W CA 1.087 58.039 57.345 -0.655 0.000 1.288 59 W CB -1.459 27.280 29.460 -1.201 0.000 1.136 59 W HN 0.253 nan 8.180 nan 0.000 0.640 60 E N 1.857 121.984 120.200 -0.122 0.000 2.265 60 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 60 E C 1.829 178.424 176.600 -0.008 0.000 0.996 60 E CA 0.988 57.357 56.400 -0.052 0.000 0.832 60 E CB -0.565 28.967 29.700 -0.279 0.000 0.756 60 E HN 0.286 nan 8.360 nan 0.000 0.491 61 R N -0.454 120.026 120.500 -0.033 0.000 2.316 61 R HA -0.026 4.313 4.340 -0.000 0.000 0.202 61 R C 0.467 176.590 176.300 -0.296 0.000 1.029 61 R CA 0.699 56.701 56.100 -0.164 0.000 1.018 61 R CB -0.055 30.128 30.300 -0.195 0.000 0.888 61 R HN 0.306 nan 8.270 nan 0.000 0.471 62 Y N 0.405 120.826 120.300 0.202 0.000 2.571 62 Y HA 0.206 4.755 4.550 -0.000 0.000 0.275 62 Y C 0.154 176.212 175.900 0.263 0.000 1.179 62 Y CA -0.033 58.224 58.100 0.262 0.000 1.242 62 Y CB 0.535 39.191 38.460 0.328 0.000 1.126 62 Y HN -0.088 nan 8.280 nan 0.000 0.524 63 Q N 1.107 121.027 119.800 0.200 0.000 2.798 63 Q HA 0.280 4.620 4.340 -0.000 0.000 0.250 63 Q C -2.711 173.287 176.000 -0.002 0.000 1.006 63 Q CA -2.088 53.805 55.803 0.151 0.000 0.759 63 Q CB 1.379 30.202 28.738 0.142 0.000 1.201 63 Q HN 0.060 nan 8.270 nan 0.000 0.486 64 P HA -0.043 nan 4.420 nan 0.000 0.268 64 P C 0.085 177.235 177.300 -0.250 0.000 1.205 64 P CA 0.117 63.105 63.100 -0.187 0.000 0.771 64 P CB 1.280 32.846 31.700 -0.224 0.000 0.858 65 V N 0.804 120.539 119.914 -0.299 0.000 3.359 65 V HA 0.108 4.228 4.120 -0.000 0.000 0.245 65 V C 0.814 176.799 176.094 -0.182 0.000 1.247 65 V CA 1.425 63.572 62.300 -0.255 0.000 1.145 65 V CB 0.412 31.934 31.823 -0.501 0.000 0.906 65 V HN 0.796 nan 8.190 nan 0.000 0.464 66 S N -2.292 113.189 115.700 -0.364 0.000 2.724 66 S HA 0.449 4.919 4.470 -0.000 0.000 0.278 66 S C -0.787 173.405 174.600 -0.680 0.000 1.190 66 S CA -0.380 57.525 58.200 -0.492 0.000 0.860 66 S CB 0.904 63.972 63.200 -0.219 0.000 1.206 66 S HN -0.040 nan 8.310 nan 0.000 0.507 67 Y N 0.869 120.996 120.300 -0.288 0.000 2.555 67 Y HA 0.461 5.011 4.550 -0.000 0.000 0.259 67 Y C 0.589 176.373 175.900 -0.193 0.000 1.179 67 Y CA -0.847 56.974 58.100 -0.465 0.000 1.230 67 Y CB -0.144 37.987 38.460 -0.547 0.000 1.146 67 Y HN 0.393 nan 8.280 nan 0.000 0.526 68 K N 0.905 121.299 120.400 -0.010 0.000 2.401 68 K HA 0.127 4.447 4.320 -0.000 0.000 0.278 68 K C -0.505 176.138 176.600 0.071 0.000 1.018 68 K CA -0.363 55.956 56.287 0.053 0.000 0.981 68 K CB 0.672 33.188 32.500 0.026 0.000 0.933 68 K HN -0.057 nan 8.250 nan 0.000 0.477 69 L N 3.789 125.082 121.223 0.117 0.000 2.391 69 L HA 0.071 4.411 4.340 -0.000 0.000 0.249 69 L C -0.334 176.617 176.870 0.136 0.000 1.308 69 L CA 0.259 55.145 54.840 0.077 0.000 1.209 69 L CB -0.428 41.625 42.059 -0.010 0.000 1.401 69 L HN 0.590 nan 8.230 nan 0.000 0.416 70 c N 1.805 120.473 118.600 0.113 0.000 2.919 70 c HA 0.734 5.304 4.570 -0.000 0.000 0.337 70 c C 0.383 174.508 174.090 0.057 0.000 1.039 70 c CA 0.022 56.413 56.329 0.103 0.000 1.373 70 c CB -0.087 42.465 42.510 0.070 0.000 1.843 70 c HN 0.857 nan 8.230 nan 0.000 0.493 71 T N 1.803 116.392 114.554 0.057 0.000 2.716 71 T HA 0.502 4.852 4.350 -0.000 0.000 0.286 71 T C 0.975 175.607 174.700 -0.113 0.000 1.052 71 T CA -0.662 61.418 62.100 -0.032 0.000 1.024 71 T CB 1.040 69.897 68.868 -0.018 0.000 1.349 71 T HN 0.520 nan 8.240 nan 0.000 0.525 72 R N 0.100 120.501 120.500 -0.166 0.000 2.285 72 R HA 0.051 4.391 4.340 -0.000 0.000 0.213 72 R C 1.984 178.102 176.300 -0.304 0.000 1.068 72 R CA 0.876 56.859 56.100 -0.194 0.000 1.004 72 R CB -0.364 29.825 30.300 -0.186 0.000 0.873 72 R HN 0.540 nan 8.270 nan 0.000 0.467 73 S N -0.476 114.914 115.700 -0.517 0.000 2.496 73 S HA 0.149 4.619 4.470 -0.000 0.000 0.224 73 S C 0.735 174.701 174.600 -1.057 0.000 0.996 73 S CA 0.614 58.220 58.200 -0.990 0.000 0.927 73 S CB 0.788 62.864 63.200 -1.873 0.000 0.774 73 S HN 0.637 nan 8.310 nan 0.000 0.524 74 G N 1.501 109.978 108.800 -0.539 0.000 2.369 74 G HA2 0.123 4.083 3.960 -0.000 0.000 0.307 74 G HA3 0.123 4.083 3.960 -0.000 0.000 0.307 74 G C -1.270 173.769 174.900 0.231 0.000 1.327 74 G CA -0.648 44.399 45.100 -0.088 0.000 0.963 74 G HN 0.333 nan 8.290 nan 0.000 0.590 75 N N -0.736 118.140 118.700 0.292 0.000 2.566 75 N HA 0.445 5.185 4.740 -0.000 0.000 0.299 75 N C 1.103 176.820 175.510 0.345 0.000 1.277 75 N CA 0.137 53.347 53.050 0.267 0.000 0.965 75 N CB 0.782 39.371 38.487 0.170 0.000 1.142 75 N HN 0.748 nan 8.380 nan 0.000 0.596 76 E N -0.884 119.465 120.200 0.248 0.000 2.077 76 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 76 E C 0.477 177.222 176.600 0.241 0.000 0.989 76 E CA 1.336 57.883 56.400 0.245 0.000 0.800 76 E CB -0.130 29.699 29.700 0.215 0.000 0.746 76 E HN 0.511 nan 8.360 nan 0.000 0.452 77 D N 0.458 120.975 120.400 0.194 0.000 2.123 77 D HA -0.174 4.466 4.640 -0.000 0.000 0.196 77 D C 1.743 178.139 176.300 0.159 0.000 0.992 77 D CA 1.199 55.292 54.000 0.154 0.000 0.833 77 D CB -0.105 40.770 40.800 0.125 0.000 0.954 77 D HN 0.378 nan 8.370 nan 0.000 0.455 78 E N -0.359 119.976 120.200 0.225 0.000 2.152 78 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 78 E C 1.872 178.616 176.600 0.240 0.000 0.983 78 E CA 0.245 56.803 56.400 0.262 0.000 0.818 78 E CB -0.126 29.785 29.700 0.351 0.000 0.758 78 E HN 0.213 nan 8.360 nan 0.000 0.467 79 F N 1.891 121.866 119.950 0.042 0.000 2.084 79 F HA -0.109 4.418 4.527 -0.000 0.000 0.296 79 F C 2.183 177.822 175.800 -0.268 0.000 1.111 79 F CA 1.470 59.225 58.000 -0.408 0.000 1.224 79 F CB 0.079 38.796 39.000 -0.472 0.000 0.991 79 F HN -0.229 nan 8.300 nan 0.000 0.471 80 R N 0.143 120.616 120.500 -0.045 0.000 2.096 80 R HA -0.195 4.145 4.340 -0.000 0.000 0.235 80 R C 2.245 178.464 176.300 -0.135 0.000 1.127 80 R CA 1.304 57.344 56.100 -0.099 0.000 0.968 80 R CB -0.828 29.509 30.300 0.061 0.000 0.861 80 R HN 0.411 nan 8.270 nan 0.000 0.440 81 N N 1.163 119.823 118.700 -0.067 0.000 2.120 81 N HA -0.197 4.542 4.740 -0.000 0.000 0.188 81 N C 1.797 177.233 175.510 -0.122 0.000 1.024 81 N CA 1.296 54.320 53.050 -0.044 0.000 0.852 81 N CB 0.028 38.526 38.487 0.018 0.000 1.003 81 N HN 0.229 nan 8.380 nan 0.000 0.424 82 M N 0.711 120.190 119.600 -0.202 0.000 2.067 82 M HA -0.137 4.343 4.480 -0.000 0.000 0.260 82 M C 1.945 178.007 176.300 -0.396 0.000 1.069 82 M CA 1.405 56.548 55.300 -0.262 0.000 1.117 82 M CB -0.123 32.299 32.600 -0.298 0.000 1.334 82 M HN -0.054 nan 8.290 nan 0.000 0.407 83 V N 0.555 120.109 119.914 -0.600 0.000 2.332 83 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 83 V C 2.338 178.087 176.094 -0.576 0.000 1.055 83 V CA 2.373 64.291 62.300 -0.637 0.000 1.038 83 V CB -1.360 30.033 31.823 -0.716 0.000 0.651 83 V HN 0.594 nan 8.190 nan 0.000 0.450 84 T N -0.385 113.940 114.554 -0.382 0.000 2.674 84 T HA -0.190 4.159 4.350 -0.000 0.000 0.265 84 T C 2.100 176.684 174.700 -0.192 0.000 1.039 84 T CA 1.641 63.605 62.100 -0.227 0.000 1.150 84 T CB -0.236 68.683 68.868 0.085 0.000 0.864 84 T HN 0.411 nan 8.240 nan 0.000 0.427 85 R N 0.010 120.420 120.500 -0.149 0.000 2.096 85 R HA -0.033 4.307 4.340 -0.000 0.000 0.235 85 R C 2.776 178.983 176.300 -0.155 0.000 1.127 85 R CA 1.296 57.334 56.100 -0.103 0.000 0.968 85 R CB -0.676 29.584 30.300 -0.067 0.000 0.861 85 R HN 0.380 nan 8.270 nan 0.000 0.440 86 c N 0.519 118.977 118.600 -0.237 0.000 2.453 86 c HA -0.004 4.565 4.570 -0.000 0.000 0.277 86 c C 2.304 176.202 174.090 -0.319 0.000 1.262 86 c CA 0.406 56.588 56.329 -0.246 0.000 1.718 86 c CB -0.922 41.424 42.510 -0.274 0.000 2.031 86 c HN 0.508 nan 8.230 nan 0.000 0.480 87 N N 1.623 120.002 118.700 -0.535 0.000 2.166 87 N HA -0.091 4.648 4.740 -0.000 0.000 0.186 87 N C 1.323 176.552 175.510 -0.469 0.000 1.019 87 N CA 1.119 53.703 53.050 -0.775 0.000 0.856 87 N CB -0.639 36.787 38.487 -1.767 0.000 0.993 87 N HN 0.502 nan 8.380 nan 0.000 0.426 88 N N 0.206 118.771 118.700 -0.224 0.000 2.364 88 N HA -0.085 4.655 4.740 -0.000 0.000 0.183 88 N C 1.193 176.689 175.510 -0.023 0.000 1.022 88 N CA 0.274 53.342 53.050 0.030 0.000 0.883 88 N CB 0.002 38.547 38.487 0.096 0.000 0.965 88 N HN 0.051 nan 8.380 nan 0.000 0.438 89 V N -0.404 119.462 119.914 -0.080 0.000 3.444 89 V HA 0.296 4.416 4.120 -0.000 0.000 0.308 89 V C 0.887 176.943 176.094 -0.064 0.000 1.371 89 V CA 0.588 62.856 62.300 -0.054 0.000 1.141 89 V CB -0.620 31.177 31.823 -0.042 0.000 1.037 89 V HN 0.406 nan 8.190 nan 0.000 0.433 90 G N 0.672 109.410 108.800 -0.105 0.000 2.160 90 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.251 90 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.251 90 G C 0.047 174.897 174.900 -0.083 0.000 1.008 90 G CA 0.403 45.444 45.100 -0.100 0.000 0.724 90 G HN 0.691 nan 8.290 nan 0.000 0.514 91 V N 1.736 121.580 119.914 -0.115 0.000 2.409 91 V HA 0.598 4.718 4.120 -0.000 0.000 0.291 91 V C 0.490 176.491 176.094 -0.156 0.000 1.020 91 V CA -1.316 60.938 62.300 -0.076 0.000 0.848 91 V CB 1.534 33.325 31.823 -0.054 0.000 0.990 91 V HN 0.336 nan 8.190 nan 0.000 0.430 92 R N 4.091 124.525 120.500 -0.110 0.000 2.577 92 R HA 0.566 4.906 4.340 -0.000 0.000 0.269 92 R C -0.638 175.414 176.300 -0.415 0.000 1.084 92 R CA -0.735 55.206 56.100 -0.265 0.000 1.163 92 R CB 0.916 31.074 30.300 -0.237 0.000 1.100 92 R HN 0.420 nan 8.270 nan 0.000 0.547 93 I N 2.371 122.557 120.570 -0.641 0.000 2.465 93 I HA 0.299 4.468 4.170 -0.000 0.000 0.291 93 I C -0.784 174.848 176.117 -0.808 0.000 1.014 93 I CA -0.951 60.009 61.300 -0.567 0.000 1.093 93 I CB 1.249 38.955 38.000 -0.489 0.000 1.267 93 I HN 0.421 nan 8.210 nan 0.000 0.431 94 Y N 4.646 124.903 120.300 -0.070 0.000 2.350 94 Y HA 0.466 5.016 4.550 -0.000 0.000 0.338 94 Y C 0.216 176.067 175.900 -0.082 0.000 0.961 94 Y CA -0.951 57.100 58.100 -0.080 0.000 1.100 94 Y CB 1.875 40.432 38.460 0.161 0.000 1.179 94 Y HN 0.179 nan 8.280 nan 0.000 0.454 95 V N 3.097 122.944 119.914 -0.112 0.000 2.498 95 V HA 0.075 4.195 4.120 -0.000 0.000 0.279 95 V C -0.033 176.144 176.094 0.138 0.000 1.048 95 V CA -0.630 61.690 62.300 0.033 0.000 0.967 95 V CB 1.286 33.118 31.823 0.014 0.000 0.988 95 V HN 0.669 nan 8.190 nan 0.000 0.473 96 D N 4.454 124.953 120.400 0.165 0.000 2.402 96 D HA 0.301 4.941 4.640 -0.000 0.000 0.235 96 D C 0.167 176.585 176.300 0.196 0.000 1.226 96 D CA -0.125 53.969 54.000 0.157 0.000 0.918 96 D CB 1.016 41.937 40.800 0.202 0.000 1.043 96 D HN 0.680 nan 8.370 nan 0.000 0.506 97 A N 4.122 127.048 122.820 0.175 0.000 2.310 97 A HA 0.373 4.692 4.320 -0.000 0.000 0.300 97 A C -0.023 177.645 177.584 0.139 0.000 1.269 97 A CA -0.637 51.501 52.037 0.169 0.000 0.909 97 A CB 0.508 19.516 19.000 0.014 0.000 1.144 97 A HN 0.378 nan 8.150 nan 0.000 0.540 98 V N 5.632 125.642 119.914 0.161 0.000 2.284 98 V HA 0.160 4.279 4.120 -0.000 0.000 0.260 98 V C 0.901 176.987 176.094 -0.012 0.000 1.084 98 V CA 0.275 62.613 62.300 0.064 0.000 0.894 98 V CB -0.426 31.427 31.823 0.051 0.000 1.119 98 V HN 0.877 nan 8.190 nan 0.000 0.484 99 I N 0.588 121.138 120.570 -0.033 0.000 4.227 99 I HA 0.321 4.491 4.170 -0.000 0.000 0.334 99 I C 1.572 177.660 176.117 -0.050 0.000 1.341 99 I CA 0.250 61.540 61.300 -0.017 0.000 1.123 99 I CB 0.155 38.142 38.000 -0.022 0.000 1.097 99 I HN 0.480 nan 8.210 nan 0.000 0.399 100 N N 1.649 120.304 118.700 -0.075 0.000 2.354 100 N HA -0.088 4.652 4.740 -0.000 0.000 0.179 100 N C 0.594 176.152 175.510 0.081 0.000 1.021 100 N CA 1.095 54.180 53.050 0.058 0.000 0.887 100 N CB 0.148 38.779 38.487 0.240 0.000 0.974 100 N HN 0.683 nan 8.380 nan 0.000 0.437 101 H N -3.638 115.459 119.070 0.046 0.000 2.933 101 H HA 0.316 4.872 4.556 0.000 0.000 0.310 101 H C -0.392 174.936 175.328 0.001 0.000 1.351 101 H CA -0.876 55.191 56.048 0.032 0.000 1.137 101 H CB 0.533 30.314 29.762 0.032 0.000 1.853 101 H HN -0.181 nan 8.280 nan 0.000 0.539 102 M N 0.714 120.376 119.600 0.103 0.000 2.325 102 M HA 0.302 4.782 4.480 -0.000 0.000 0.220 102 M C 0.991 177.346 176.300 0.092 0.000 0.728 102 M CA -0.332 54.902 55.300 -0.109 0.000 1.790 102 M CB 0.048 32.325 32.600 -0.538 0.000 1.150 102 M HN 0.866 nan 8.290 nan 0.000 0.887 103 C N -0.020 119.333 119.300 0.087 0.000 2.411 103 C HA 0.804 5.264 4.460 -0.000 0.000 0.358 103 C C 0.962 176.039 174.990 0.146 0.000 1.349 103 C CA -0.986 58.136 59.018 0.172 0.000 2.326 103 C CB -0.436 27.436 27.740 0.219 0.000 2.166 103 C HN 0.826 nan 8.230 nan 0.000 0.609 104 G N 1.732 110.599 108.800 0.112 0.000 2.380 104 G HA2 0.169 4.129 3.960 -0.000 0.000 0.242 104 G HA3 0.169 4.129 3.960 -0.000 0.000 0.242 104 G C 0.937 175.870 174.900 0.055 0.000 1.298 104 G CA 0.256 45.384 45.100 0.047 0.000 0.878 104 G HN 1.046 nan 8.290 nan 0.000 0.542 105 N N 1.687 120.388 118.700 0.002 0.000 2.443 105 N HA -0.123 4.616 4.740 -0.000 0.000 0.184 105 N C 1.676 177.173 175.510 -0.022 0.000 1.037 105 N CA 1.121 54.159 53.050 -0.021 0.000 0.896 105 N CB -0.006 38.447 38.487 -0.057 0.000 0.959 105 N HN 0.428 nan 8.380 nan 0.000 0.442 106 A N 0.566 123.379 122.820 -0.011 0.000 2.275 106 A HA 0.270 4.589 4.320 -0.000 0.000 0.212 106 A C 0.746 178.330 177.584 -0.000 0.000 1.201 106 A CA -0.311 51.717 52.037 -0.015 0.000 0.843 106 A CB 0.066 19.055 19.000 -0.018 0.000 0.873 106 A HN 0.106 nan 8.150 nan 0.000 0.492 107 V N 1.759 121.693 119.914 0.033 0.000 2.585 107 V HA 0.088 4.208 4.120 -0.000 0.000 0.296 107 V C 0.719 176.792 176.094 -0.035 0.000 1.035 107 V CA -0.117 62.217 62.300 0.057 0.000 1.084 107 V CB 1.014 32.947 31.823 0.183 0.000 0.953 107 V HN 0.412 nan 8.190 nan 0.000 0.483 108 S N 3.671 119.333 115.700 -0.063 0.000 2.562 108 S HA 0.420 4.890 4.470 -0.000 0.000 0.281 108 S C 0.559 174.949 174.600 -0.349 0.000 1.333 108 S CA -0.151 57.960 58.200 -0.149 0.000 1.052 108 S CB 0.899 64.042 63.200 -0.095 0.000 0.884 108 S HN 1.069 nan 8.310 nan 0.000 0.506 109 A N 2.290 124.870 122.820 -0.400 0.000 2.406 109 A HA 0.707 5.027 4.320 -0.000 0.000 0.243 109 A C 1.022 178.245 177.584 -0.601 0.000 1.082 109 A CA 0.428 52.071 52.037 -0.657 0.000 0.786 109 A CB -0.415 18.328 19.000 -0.428 0.000 1.029 109 A HN 1.444 nan 8.150 nan 0.000 0.495 110 G N -1.075 107.233 108.800 -0.819 0.000 2.260 110 G HA2 0.361 4.321 3.960 -0.000 0.000 0.250 110 G HA3 0.361 4.321 3.960 -0.000 0.000 0.250 110 G C 0.088 174.824 174.900 -0.273 0.000 1.340 110 G CA 0.626 45.515 45.100 -0.352 0.000 1.056 110 G HN 1.811 nan 8.290 nan 0.000 0.471 111 T N -2.341 112.230 114.554 0.027 0.000 3.266 111 T HA 0.530 4.880 4.350 -0.000 0.000 0.278 111 T C 0.835 175.677 174.700 0.237 0.000 1.010 111 T CA 1.017 63.230 62.100 0.188 0.000 0.909 111 T CB 0.703 69.676 68.868 0.176 0.000 1.122 111 T HN 1.217 nan 8.240 nan 0.000 0.536 112 S N 2.939 118.806 115.700 0.278 0.000 4.139 112 S HA 0.446 4.916 4.470 -0.000 0.000 0.215 112 S C 0.221 175.006 174.600 0.308 0.000 1.390 112 S CA -0.529 57.846 58.200 0.291 0.000 0.885 112 S CB -1.047 62.313 63.200 0.268 0.000 1.560 112 S HN 0.765 nan 8.310 nan 0.000 0.449 113 S N 1.010 116.828 115.700 0.197 0.000 2.595 113 S HA 0.389 4.859 4.470 -0.000 0.000 0.281 113 S C 1.069 175.675 174.600 0.010 0.000 1.117 113 S CA -0.300 57.918 58.200 0.030 0.000 0.873 113 S CB 1.057 64.234 63.200 -0.038 0.000 1.108 113 S HN 0.451 nan 8.310 nan 0.000 0.477 114 T N -2.949 111.574 114.554 -0.051 0.000 3.025 114 T HA -0.095 4.255 4.350 -0.000 0.000 0.270 114 T C 1.085 175.782 174.700 -0.004 0.000 1.126 114 T CA 1.153 63.229 62.100 -0.039 0.000 1.105 114 T CB -0.633 68.192 68.868 -0.071 0.000 0.884 114 T HN 0.653 nan 8.240 nan 0.000 0.522 115 c N 0.578 119.183 118.600 0.007 0.000 3.386 115 c HA 0.681 5.251 4.570 -0.000 0.000 0.279 115 c C 2.016 176.137 174.090 0.052 0.000 1.508 115 c CA -0.178 56.169 56.329 0.029 0.000 1.801 115 c CB -0.927 41.598 42.510 0.025 0.000 2.798 115 c HN 0.901 nan 8.230 nan 0.000 0.605 116 G N 1.589 110.430 108.800 0.069 0.000 2.184 116 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.264 116 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.264 116 G C 0.229 175.208 174.900 0.131 0.000 0.975 116 G CA 0.629 45.789 45.100 0.100 0.000 0.642 116 G HN 0.598 nan 8.290 nan 0.000 0.536 117 S N -0.146 115.625 115.700 0.119 0.000 2.549 117 S HA 0.395 4.865 4.470 -0.000 0.000 0.286 117 S C 0.080 174.846 174.600 0.277 0.000 1.314 117 S CA -0.286 58.008 58.200 0.157 0.000 1.062 117 S CB 0.776 64.032 63.200 0.094 0.000 0.865 117 S HN 0.579 nan 8.310 nan 0.000 0.498 118 Y N 4.116 124.514 120.300 0.163 0.000 2.336 118 Y HA 0.519 5.069 4.550 -0.000 0.000 0.331 118 Y C -0.440 175.610 175.900 0.249 0.000 1.211 118 Y CA -0.703 57.491 58.100 0.157 0.000 1.346 118 Y CB 0.359 38.844 38.460 0.041 0.000 1.271 118 Y HN 0.575 nan 8.280 nan 0.000 0.538 119 F N 3.254 122.567 119.950 -1.062 0.000 2.688 119 F HA 0.393 4.920 4.527 -0.000 0.000 0.308 119 F C -2.100 173.019 175.800 -1.134 0.000 1.117 119 F CA -1.539 55.882 58.000 -0.966 0.000 0.976 119 F CB 1.035 39.663 39.000 -0.621 0.000 1.291 119 F HN 0.424 nan 8.300 nan 0.000 0.439 120 N N 3.637 121.752 118.700 -0.975 0.000 2.664 120 N HA 0.449 5.189 4.740 -0.000 0.000 0.257 120 N C -2.530 172.664 175.510 -0.527 0.000 1.108 120 N CA -2.358 50.274 53.050 -0.696 0.000 0.822 120 N CB 2.060 40.332 38.487 -0.360 0.000 1.199 120 N HN 0.295 nan 8.380 nan 0.000 0.529 121 P HA -0.029 nan 4.420 nan 0.000 0.215 121 P C 1.299 178.509 177.300 -0.150 0.000 1.153 121 P CA 1.198 64.204 63.100 -0.157 0.000 0.853 121 P CB 0.205 31.898 31.700 -0.011 0.000 0.788 122 G N -0.137 108.570 108.800 -0.154 0.000 2.440 122 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.218 122 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.218 122 G C 1.429 176.264 174.900 -0.108 0.000 1.154 122 G CA 1.381 46.411 45.100 -0.117 0.000 0.767 122 G HN 0.440 nan 8.290 nan 0.000 0.552 123 S N -1.058 114.575 115.700 -0.112 0.000 2.597 123 S HA 0.321 4.790 4.470 -0.000 0.000 0.224 123 S C 1.036 175.611 174.600 -0.041 0.000 0.955 123 S CA 0.036 58.196 58.200 -0.068 0.000 0.933 123 S CB 0.349 63.527 63.200 -0.037 0.000 0.788 123 S HN 0.203 nan 8.310 nan 0.000 0.488 124 R N 0.732 121.182 120.500 -0.082 0.000 3.525 124 R HA -0.146 4.194 4.340 -0.000 0.000 0.276 124 R C -1.058 175.403 176.300 0.267 0.000 1.116 124 R CA 0.893 56.997 56.100 0.007 0.000 0.745 124 R CB -2.692 27.614 30.300 0.010 0.000 1.185 124 R HN 0.647 nan 8.270 nan 0.000 0.454 125 D N -0.251 120.149 120.400 0.000 0.000 2.392 125 D HA 0.379 5.019 4.640 -0.000 0.000 0.228 125 D C -0.799 175.391 176.300 -0.183 0.000 1.074 125 D CA -0.323 53.716 54.000 0.064 0.000 0.838 125 D CB 0.319 41.154 40.800 0.059 0.000 1.067 125 D HN 0.091 nan 8.370 nan 0.000 0.511 126 F N 5.290 125.415 119.950 0.292 0.000 2.622 126 F HA 0.288 4.815 4.527 -0.001 0.000 0.338 126 F C -1.433 174.475 175.800 0.180 0.000 1.334 126 F CA -1.578 56.568 58.000 0.244 0.000 1.179 126 F CB 1.729 40.900 39.000 0.284 0.000 1.471 126 F HN 0.293 nan 8.300 nan 0.000 0.576 127 P HA -0.212 nan 4.420 nan 0.000 0.223 127 P C 1.297 178.683 177.300 0.145 0.000 1.144 127 P CA 1.269 64.495 63.100 0.209 0.000 0.783 127 P CB 0.327 32.153 31.700 0.211 0.000 0.771 128 A N -0.552 122.350 122.820 0.137 0.000 2.119 128 A HA 0.032 4.352 4.320 -0.000 0.000 0.216 128 A C 2.240 179.809 177.584 -0.024 0.000 1.152 128 A CA 0.861 52.933 52.037 0.059 0.000 0.708 128 A CB -1.015 18.016 19.000 0.051 0.000 0.805 128 A HN 0.095 nan 8.150 nan 0.000 0.460 129 V N 0.526 120.396 119.914 -0.074 0.000 2.341 129 V HA 0.035 4.155 4.120 -0.000 0.000 0.240 129 V C -1.504 174.513 176.094 -0.129 0.000 1.035 129 V CA 1.182 63.334 62.300 -0.247 0.000 1.033 129 V CB -0.953 30.436 31.823 -0.724 0.000 0.678 129 V HN 0.468 nan 8.190 nan 0.000 0.464 130 P HA 0.377 nan 4.420 nan 0.000 0.293 130 P C -1.951 175.429 177.300 0.133 0.000 1.291 130 P CA -0.184 62.952 63.100 0.061 0.000 0.867 130 P CB 1.662 33.449 31.700 0.144 0.000 1.074 131 Y N 0.015 120.509 120.300 0.323 0.000 2.524 131 Y HA 0.532 5.082 4.550 -0.000 0.000 0.344 131 Y C 1.049 177.206 175.900 0.428 0.000 1.012 131 Y CA -0.441 57.859 58.100 0.333 0.000 1.068 131 Y CB 2.292 40.880 38.460 0.215 0.000 1.249 131 Y HN 0.505 nan 8.280 nan 0.000 0.468 132 S N -1.012 115.046 115.700 0.596 0.000 2.806 132 S HA 0.572 5.042 4.470 -0.000 0.000 0.306 132 S C 1.005 175.924 174.600 0.532 0.000 1.167 132 S CA -0.299 58.209 58.200 0.512 0.000 0.847 132 S CB 1.164 64.612 63.200 0.414 0.000 1.216 132 S HN 0.837 nan 8.310 nan 0.000 0.532 133 G N -0.057 108.940 108.800 0.329 0.000 2.475 133 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.220 133 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.220 133 G C 0.732 175.703 174.900 0.119 0.000 1.125 133 G CA 0.763 45.964 45.100 0.169 0.000 0.755 133 G HN 0.779 nan 8.290 nan 0.000 0.565 134 W N 0.851 122.263 121.300 0.187 0.000 2.721 134 W HA 0.180 4.840 4.660 0.000 0.000 0.245 134 W C 1.155 177.718 176.519 0.072 0.000 1.276 134 W CA 0.321 57.733 57.345 0.112 0.000 1.342 134 W CB 0.340 29.839 29.460 0.065 0.000 1.135 134 W HN 0.116 nan 8.180 nan 0.000 0.654 135 D N -1.147 119.376 120.400 0.205 0.000 2.340 135 D HA 0.096 4.736 4.640 -0.000 0.000 0.217 135 D C -0.275 175.700 176.300 -0.542 0.000 1.081 135 D CA 0.382 54.293 54.000 -0.149 0.000 0.842 135 D CB -0.087 40.566 40.800 -0.246 0.000 0.934 135 D HN 0.027 nan 8.370 nan 0.000 0.511 136 F N 0.262 120.227 119.950 0.026 0.000 2.575 136 F HA 0.320 4.847 4.527 0.000 0.000 0.330 136 F C 1.383 177.191 175.800 0.013 0.000 1.056 136 F CA -1.068 56.925 58.000 -0.012 0.000 0.964 136 F CB 0.878 39.872 39.000 -0.009 0.000 1.258 136 F HN -0.371 nan 8.300 nan 0.000 0.484 137 N N 0.953 119.783 118.700 0.216 0.000 2.362 137 N HA -0.048 4.691 4.740 -0.000 0.000 0.204 137 N C 0.767 176.340 175.510 0.104 0.000 1.166 137 N CA 0.330 53.461 53.050 0.136 0.000 0.831 137 N CB -0.295 38.265 38.487 0.122 0.000 1.008 137 N HN 0.561 nan 8.380 nan 0.000 0.472 138 D N 0.373 120.835 120.400 0.104 0.000 2.149 138 D HA -0.154 4.486 4.640 -0.000 0.000 0.194 138 D C 1.758 178.074 176.300 0.027 0.000 1.001 138 D CA 1.269 55.295 54.000 0.043 0.000 0.849 138 D CB -0.158 40.649 40.800 0.013 0.000 0.939 138 D HN 0.358 nan 8.370 nan 0.000 0.449 139 G N 0.209 109.028 108.800 0.032 0.000 2.623 139 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.214 139 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.214 139 G C 1.562 176.487 174.900 0.042 0.000 1.138 139 G CA 0.131 45.246 45.100 0.025 0.000 0.794 139 G HN 0.209 nan 8.290 nan 0.000 0.535 140 K N -0.393 120.043 120.400 0.059 0.000 2.098 140 K HA 0.033 4.353 4.320 -0.000 0.000 0.203 140 K C 1.001 177.640 176.600 0.065 0.000 1.051 140 K CA -0.020 56.308 56.287 0.069 0.000 0.957 140 K CB -0.197 32.358 32.500 0.093 0.000 0.738 140 K HN 0.219 nan 8.250 nan 0.000 0.447 141 c N 2.743 121.378 118.600 0.059 0.000 2.596 141 c HA 0.069 4.639 4.570 -0.000 0.000 0.414 141 c C 0.914 175.021 174.090 0.028 0.000 1.396 141 c CA 0.149 56.504 56.329 0.043 0.000 1.698 141 c CB -0.346 42.181 42.510 0.028 0.000 2.572 141 c HN 0.424 nan 8.230 nan 0.000 0.604 142 K N 2.907 123.322 120.400 0.025 0.000 2.358 142 K HA 0.082 4.402 4.320 -0.000 0.000 0.197 142 K C 0.948 177.551 176.600 0.005 0.000 1.025 142 K CA 0.124 56.421 56.287 0.017 0.000 1.104 142 K CB 0.196 32.709 32.500 0.023 0.000 0.855 142 K HN 0.903 nan 8.250 nan 0.000 0.531 143 T N -2.677 111.875 114.554 -0.003 0.000 2.899 143 T HA 0.158 4.508 4.350 -0.000 0.000 0.295 143 T C 1.451 176.144 174.700 -0.011 0.000 1.033 143 T CA -0.414 61.679 62.100 -0.011 0.000 1.084 143 T CB 1.679 70.533 68.868 -0.023 0.000 0.979 143 T HN 0.150 nan 8.240 nan 0.000 0.532 144 G N 0.620 109.414 108.800 -0.011 0.000 2.443 144 G HA2 -0.148 3.811 3.960 -0.000 0.000 0.219 144 G HA3 -0.148 3.811 3.960 -0.000 0.000 0.219 144 G C 1.688 176.578 174.900 -0.015 0.000 1.131 144 G CA 0.753 45.846 45.100 -0.011 0.000 0.775 144 G HN 0.950 nan 8.290 nan 0.000 0.547 145 S N -1.115 114.574 115.700 -0.019 0.000 2.458 145 S HA 0.361 4.831 4.470 -0.000 0.000 0.223 145 S C 1.973 176.556 174.600 -0.027 0.000 1.019 145 S CA 1.079 59.264 58.200 -0.024 0.000 0.937 145 S CB 0.071 63.255 63.200 -0.026 0.000 0.788 145 S HN 1.483 nan 8.310 nan 0.000 0.511 146 G N 0.759 109.544 108.800 -0.025 0.000 2.195 146 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.246 146 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.246 146 G C -0.418 174.462 174.900 -0.033 0.000 0.984 146 G CA 0.223 45.309 45.100 -0.025 0.000 0.633 146 G HN 0.566 nan 8.290 nan 0.000 0.525 147 D N -0.181 120.194 120.400 -0.042 0.000 2.384 147 D HA 0.588 5.228 4.640 -0.000 0.000 0.250 147 D C 0.896 177.155 176.300 -0.069 0.000 1.029 147 D CA -0.645 53.320 54.000 -0.058 0.000 0.990 147 D CB 0.985 41.750 40.800 -0.058 0.000 1.175 147 D HN 0.217 nan 8.370 nan 0.000 0.532 148 I N 1.283 121.795 120.570 -0.096 0.000 2.517 148 I HA -0.009 4.160 4.170 -0.000 0.000 0.285 148 I C 1.227 177.289 176.117 -0.093 0.000 1.106 148 I CA 0.592 61.804 61.300 -0.147 0.000 1.402 148 I CB 0.437 38.294 38.000 -0.238 0.000 1.399 148 I HN 0.325 nan 8.210 nan 0.000 0.535 149 E N 3.995 124.143 120.200 -0.087 0.000 2.391 149 E HA 0.124 4.473 4.350 -0.000 0.000 0.206 149 E C 0.122 176.730 176.600 0.013 0.000 0.851 149 E CA -0.027 56.361 56.400 -0.020 0.000 1.059 149 E CB 0.591 30.280 29.700 -0.019 0.000 1.065 149 E HN 0.619 nan 8.360 nan 0.000 0.512 150 N N -0.299 118.376 118.700 -0.042 0.000 2.480 150 N HA 0.146 4.886 4.740 -0.000 0.000 0.289 150 N C -0.802 174.676 175.510 -0.053 0.000 1.073 150 N CA -0.254 52.805 53.050 0.015 0.000 0.885 150 N CB 0.746 39.237 38.487 0.007 0.000 1.421 150 N HN -0.098 nan 8.380 nan 0.000 0.503 151 Y N 1.791 122.083 120.300 -0.013 0.000 2.578 151 Y HA 0.075 4.625 4.550 -0.001 0.000 0.297 151 Y C 1.131 177.017 175.900 -0.024 0.000 1.176 151 Y CA 0.624 58.711 58.100 -0.021 0.000 1.315 151 Y CB -0.116 38.329 38.460 -0.025 0.000 1.031 151 Y HN 0.654 nan 8.280 nan 0.000 0.524 152 N N -0.715 118.033 118.700 0.080 0.000 2.422 152 N HA -0.078 4.662 4.740 -0.000 0.000 0.181 152 N C -0.133 175.385 175.510 0.013 0.000 1.080 152 N CA 0.245 53.323 53.050 0.046 0.000 0.893 152 N CB 0.275 38.786 38.487 0.040 0.000 0.973 152 N HN 0.075 nan 8.380 nan 0.000 0.456 153 D N 0.351 120.741 120.400 -0.017 0.000 2.473 153 D HA 0.281 4.921 4.640 -0.000 0.000 0.226 153 D C 0.630 176.893 176.300 -0.062 0.000 1.089 153 D CA -0.545 53.440 54.000 -0.025 0.000 0.883 153 D CB 0.930 41.714 40.800 -0.028 0.000 1.029 153 D HN 0.101 nan 8.370 nan 0.000 0.517 154 A N 3.002 125.798 122.820 -0.040 0.000 2.076 154 A HA -0.150 4.170 4.320 -0.000 0.000 0.220 154 A C 1.960 179.447 177.584 -0.162 0.000 1.160 154 A CA 1.664 53.644 52.037 -0.096 0.000 0.653 154 A CB -0.380 18.596 19.000 -0.040 0.000 0.801 154 A HN 0.586 nan 8.150 nan 0.000 0.455 155 T N 0.424 114.973 114.554 -0.007 0.000 2.732 155 T HA -0.157 4.193 4.350 -0.000 0.000 0.261 155 T C 2.106 176.806 174.700 -0.001 0.000 1.040 155 T CA 1.586 63.750 62.100 0.107 0.000 1.145 155 T CB -0.317 68.682 68.868 0.218 0.000 0.866 155 T HN 0.884 nan 8.240 nan 0.000 0.427 156 Q N 1.088 120.862 119.800 -0.042 0.000 2.291 156 Q HA -0.019 4.320 4.340 -0.000 0.000 0.205 156 Q C 2.051 177.963 176.000 -0.148 0.000 0.970 156 Q CA 1.035 56.795 55.803 -0.071 0.000 0.876 156 Q CB -0.682 28.010 28.738 -0.078 0.000 0.935 156 Q HN 0.314 nan 8.270 nan 0.000 0.455 157 V N 0.757 120.532 119.914 -0.232 0.000 2.626 157 V HA -0.186 3.934 4.120 -0.000 0.000 0.252 157 V C 1.963 177.963 176.094 -0.156 0.000 1.067 157 V CA 1.902 64.040 62.300 -0.270 0.000 1.081 157 V CB -0.409 31.201 31.823 -0.355 0.000 0.686 157 V HN 0.273 nan 8.190 nan 0.000 0.468 158 R N -0.135 120.191 120.500 -0.289 0.000 2.146 158 R HA 0.078 4.418 4.340 -0.000 0.000 0.206 158 R C 1.660 177.905 176.300 -0.090 0.000 1.049 158 R CA 0.801 56.689 56.100 -0.354 0.000 1.029 158 R CB -0.316 29.317 30.300 -1.110 0.000 0.949 158 R HN 0.433 nan 8.270 nan 0.000 0.471 159 D N -1.035 119.370 120.400 0.009 0.000 2.354 159 D HA 0.086 4.726 4.640 -0.000 0.000 0.209 159 D C 0.086 176.419 176.300 0.055 0.000 1.015 159 D CA 0.316 54.378 54.000 0.104 0.000 0.867 159 D CB 0.226 41.130 40.800 0.173 0.000 0.933 159 D HN 0.085 nan 8.370 nan 0.000 0.520 160 c N 0.615 119.217 118.600 0.004 0.000 2.423 160 c HA 0.487 5.057 4.570 -0.000 0.000 0.378 160 c C 0.678 174.747 174.090 -0.036 0.000 1.244 160 c CA -1.042 55.278 56.329 -0.015 0.000 1.978 160 c CB 1.301 43.785 42.510 -0.043 0.000 2.252 160 c HN 0.061 nan 8.230 nan 0.000 0.526 161 R N 1.132 121.604 120.500 -0.047 0.000 2.316 161 R HA 0.288 4.628 4.340 -0.000 0.000 0.314 161 R C -0.585 175.631 176.300 -0.141 0.000 1.069 161 R CA -0.412 55.642 56.100 -0.077 0.000 0.959 161 R CB 0.120 30.382 30.300 -0.063 0.000 0.987 161 R HN 0.476 nan 8.270 nan 0.000 0.446 162 L N 4.990 126.077 121.223 -0.226 0.000 2.485 162 L HA -0.015 4.325 4.340 -0.000 0.000 0.279 162 L C 0.347 177.063 176.870 -0.256 0.000 1.124 162 L CA 0.870 55.515 54.840 -0.325 0.000 0.888 162 L CB 0.023 41.731 42.059 -0.586 0.000 1.217 162 L HN 0.945 nan 8.230 nan 0.000 0.464 163 T N 1.413 115.863 114.554 -0.173 0.000 3.996 163 T HA -0.190 4.160 4.350 -0.000 0.000 0.348 163 T C 1.128 175.740 174.700 -0.148 0.000 0.757 163 T CA 1.110 63.118 62.100 -0.154 0.000 1.898 163 T CB -2.506 66.251 68.868 -0.184 0.000 1.861 163 T HN 2.298 nan 8.240 nan 0.000 0.821 164 G N -1.132 107.595 108.800 -0.122 0.000 2.199 164 G HA2 -0.175 3.784 3.960 -0.000 0.000 0.254 164 G HA3 -0.175 3.784 3.960 -0.000 0.000 0.254 164 G C -0.008 174.838 174.900 -0.090 0.000 0.982 164 G CA -0.088 44.955 45.100 -0.095 0.000 0.632 164 G HN 1.037 nan 8.290 nan 0.000 0.529 165 L N 1.609 122.753 121.223 -0.133 0.000 2.477 165 L HA 0.365 4.705 4.340 -0.000 0.000 0.272 165 L C 1.379 178.233 176.870 -0.028 0.000 1.157 165 L CA 0.046 54.820 54.840 -0.111 0.000 0.889 165 L CB 0.492 42.349 42.059 -0.337 0.000 1.158 165 L HN 0.213 nan 8.230 nan 0.000 0.473 166 L N 3.471 124.702 121.223 0.014 0.000 2.660 166 L HA -0.089 4.251 4.340 -0.000 0.000 0.272 166 L C 0.354 177.354 176.870 0.217 0.000 1.194 166 L CA 0.245 55.088 54.840 0.006 0.000 0.945 166 L CB -0.181 41.739 42.059 -0.232 0.000 1.212 166 L HN 0.588 nan 8.230 nan 0.000 0.490 167 D N 4.093 124.630 120.400 0.228 0.000 2.339 167 D HA 0.310 4.950 4.640 -0.000 0.000 0.241 167 D C -0.171 176.278 176.300 0.248 0.000 1.183 167 D CA -0.295 53.837 54.000 0.219 0.000 0.859 167 D CB 0.744 41.617 40.800 0.121 0.000 1.067 167 D HN 0.248 nan 8.370 nan 0.000 0.484 168 L N 2.496 123.757 121.223 0.064 0.000 2.456 168 L HA 0.240 4.580 4.340 -0.000 0.000 0.272 168 L C 0.751 177.550 176.870 -0.118 0.000 1.189 168 L CA -0.612 54.079 54.840 -0.248 0.000 0.846 168 L CB 0.754 42.589 42.059 -0.374 0.000 1.111 168 L HN 0.479 nan 8.230 nan 0.000 0.475 169 A N 5.220 127.940 122.820 -0.166 0.000 2.915 169 A HA 0.274 4.593 4.320 -0.000 0.000 0.292 169 A C 1.121 178.694 177.584 -0.018 0.000 1.632 169 A CA -0.342 51.678 52.037 -0.028 0.000 1.337 169 A CB -0.516 18.486 19.000 0.003 0.000 1.111 169 A HN 0.838 nan 8.150 nan 0.000 0.569 170 L N 0.999 122.235 121.223 0.021 0.000 2.549 170 L HA -0.144 4.196 4.340 -0.000 0.000 0.230 170 L C 2.518 179.416 176.870 0.048 0.000 1.162 170 L CA 1.193 56.053 54.840 0.033 0.000 0.834 170 L CB -0.329 41.772 42.059 0.070 0.000 0.947 170 L HN 0.869 nan 8.230 nan 0.000 0.452 171 E N 1.012 121.244 120.200 0.054 0.000 2.285 171 E HA -0.095 4.254 4.350 -0.000 0.000 0.194 171 E C 0.351 176.967 176.600 0.028 0.000 0.997 171 E CA 0.233 56.650 56.400 0.029 0.000 0.845 171 E CB 0.043 29.749 29.700 0.011 0.000 0.782 171 E HN 0.410 nan 8.360 nan 0.000 0.491 172 K N 1.626 122.052 120.400 0.043 0.000 2.322 172 K HA 0.018 4.337 4.320 -0.000 0.000 0.283 172 K C 0.173 176.813 176.600 0.067 0.000 1.042 172 K CA 0.159 56.487 56.287 0.067 0.000 0.958 172 K CB 1.101 33.664 32.500 0.106 0.000 0.984 172 K HN -0.055 nan 8.250 nan 0.000 0.473 173 D N 1.972 122.415 120.400 0.070 0.000 2.182 173 D HA -0.237 4.402 4.640 -0.000 0.000 0.201 173 D C 1.461 177.808 176.300 0.079 0.000 0.986 173 D CA 1.361 55.396 54.000 0.058 0.000 0.847 173 D CB 0.062 40.894 40.800 0.054 0.000 0.942 173 D HN 0.625 nan 8.370 nan 0.000 0.467 174 Y N 0.319 120.637 120.300 0.030 0.000 2.145 174 Y HA -0.183 4.367 4.550 -0.000 0.000 0.286 174 Y C 2.076 178.031 175.900 0.092 0.000 1.145 174 Y CA 1.444 59.576 58.100 0.053 0.000 1.148 174 Y CB -0.509 37.987 38.460 0.061 0.000 0.981 174 Y HN -0.077 nan 8.280 nan 0.000 0.507 175 V N 0.831 120.749 119.914 0.007 0.000 2.307 175 V HA -0.300 3.820 4.120 -0.000 0.000 0.245 175 V C 2.389 178.448 176.094 -0.060 0.000 1.045 175 V CA 2.290 64.581 62.300 -0.014 0.000 1.024 175 V CB -0.658 31.148 31.823 -0.027 0.000 0.651 175 V HN 0.326 nan 8.190 nan 0.000 0.449 176 R N 0.090 120.560 120.500 -0.049 0.000 2.105 176 R HA -0.141 4.199 4.340 -0.000 0.000 0.239 176 R C 2.561 178.800 176.300 -0.102 0.000 1.135 176 R CA 1.737 57.801 56.100 -0.060 0.000 0.967 176 R CB -0.489 29.791 30.300 -0.034 0.000 0.861 176 R HN 0.455 nan 8.270 nan 0.000 0.442 177 S N 0.494 116.120 115.700 -0.124 0.000 2.368 177 S HA -0.052 4.417 4.470 -0.000 0.000 0.224 177 S C 1.696 176.176 174.600 -0.200 0.000 1.029 177 S CA 0.892 59.005 58.200 -0.145 0.000 0.988 177 S CB 0.028 63.160 63.200 -0.113 0.000 0.838 177 S HN 0.166 nan 8.310 nan 0.000 0.462 178 K N 1.304 121.532 120.400 -0.287 0.000 2.097 178 K HA 0.111 4.430 4.320 -0.000 0.000 0.205 178 K C 1.886 178.342 176.600 -0.240 0.000 1.050 178 K CA 0.851 56.980 56.287 -0.263 0.000 0.938 178 K CB -0.526 31.782 32.500 -0.321 0.000 0.718 178 K HN 0.409 nan 8.250 nan 0.000 0.442 179 I N 0.599 121.043 120.570 -0.209 0.000 2.252 179 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 179 I C 2.326 178.277 176.117 -0.278 0.000 1.102 179 I CA 1.045 62.169 61.300 -0.294 0.000 1.385 179 I CB -0.341 37.556 38.000 -0.171 0.000 1.064 179 I HN 0.009 nan 8.210 nan 0.000 0.414 180 A N 0.144 122.829 122.820 -0.226 0.000 1.969 180 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 180 A C 2.297 179.747 177.584 -0.222 0.000 1.169 180 A CA 1.640 53.536 52.037 -0.234 0.000 0.635 180 A CB -0.570 18.323 19.000 -0.177 0.000 0.810 180 A HN 0.484 nan 8.150 nan 0.000 0.445 181 E N -1.351 118.746 120.200 -0.171 0.000 2.077 181 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 181 E C 1.844 178.406 176.600 -0.063 0.000 0.989 181 E CA 1.548 57.881 56.400 -0.110 0.000 0.800 181 E CB -0.327 29.320 29.700 -0.089 0.000 0.746 181 E HN 0.713 nan 8.360 nan 0.000 0.452 182 Y N 0.946 121.077 120.300 -0.282 0.000 2.114 182 Y HA -0.183 4.367 4.550 -0.000 0.000 0.284 182 Y C 2.069 177.867 175.900 -0.169 0.000 1.143 182 Y CA 1.907 59.848 58.100 -0.265 0.000 1.135 182 Y CB -0.428 37.617 38.460 -0.692 0.000 0.980 182 Y HN 0.020 nan 8.280 nan 0.000 0.499 183 M N 0.111 119.395 119.600 -0.526 0.000 2.159 183 M HA -0.219 4.260 4.480 -0.000 0.000 0.263 183 M C 1.740 177.886 176.300 -0.257 0.000 1.063 183 M CA 1.630 56.575 55.300 -0.593 0.000 1.110 183 M CB -0.409 31.716 32.600 -0.792 0.000 1.374 183 M HN 0.237 nan 8.290 nan 0.000 0.411 184 N N -0.446 118.092 118.700 -0.270 0.000 2.244 184 N HA -0.165 4.575 4.740 -0.000 0.000 0.183 184 N C 1.595 177.064 175.510 -0.068 0.000 1.016 184 N CA 1.174 54.038 53.050 -0.311 0.000 0.866 184 N CB -0.539 37.559 38.487 -0.648 0.000 0.980 184 N HN 0.421 nan 8.380 nan 0.000 0.430 185 H N 1.112 120.117 119.070 -0.109 0.000 2.353 185 H HA 0.077 4.633 4.556 -0.000 0.000 0.300 185 H C 2.035 177.368 175.328 0.009 0.000 1.090 185 H CA 1.296 57.336 56.048 -0.014 0.000 1.327 185 H CB -0.400 29.368 29.762 0.011 0.000 1.383 185 H HN 0.092 nan 8.280 nan 0.000 0.508 186 L N -0.446 120.679 121.223 -0.162 0.000 2.027 186 L HA -0.131 4.209 4.340 -0.000 0.000 0.206 186 L C 2.646 179.484 176.870 -0.052 0.000 1.074 186 L CA 1.303 56.049 54.840 -0.156 0.000 0.745 186 L CB -0.388 41.591 42.059 -0.134 0.000 0.898 186 L HN 0.281 nan 8.230 nan 0.000 0.433 187 I N 0.012 120.591 120.570 0.014 0.000 2.163 187 I HA -0.322 3.847 4.170 -0.000 0.000 0.243 187 I C 1.944 178.103 176.117 0.071 0.000 1.085 187 I CA 1.349 62.660 61.300 0.018 0.000 1.347 187 I CB -0.430 37.603 38.000 0.056 0.000 1.044 187 I HN 0.286 nan 8.210 nan 0.000 0.408 188 D N 0.664 121.135 120.400 0.117 0.000 2.309 188 D HA -0.092 4.548 4.640 -0.000 0.000 0.212 188 D C 2.135 178.531 176.300 0.161 0.000 0.968 188 D CA 1.064 55.167 54.000 0.171 0.000 0.882 188 D CB -0.078 40.849 40.800 0.212 0.000 0.918 188 D HN 0.395 nan 8.370 nan 0.000 0.503 189 I N -0.647 119.977 120.570 0.090 0.000 2.500 189 I HA -0.018 4.152 4.170 -0.000 0.000 0.252 189 I C 1.726 177.926 176.117 0.137 0.000 1.142 189 I CA 1.088 62.440 61.300 0.087 0.000 1.451 189 I CB 0.245 38.247 38.000 0.004 0.000 1.093 189 I HN 0.162 nan 8.210 nan 0.000 0.430 190 G N 0.427 109.282 108.800 0.092 0.000 2.559 190 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.202 190 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.202 190 G C 0.340 175.179 174.900 -0.102 0.000 0.992 190 G CA -0.066 45.083 45.100 0.080 0.000 0.764 190 G HN 0.163 nan 8.290 nan 0.000 0.525 191 V N -0.265 119.521 119.914 -0.213 0.000 2.788 191 V HA 0.617 4.737 4.120 -0.000 0.000 0.307 191 V C 1.376 177.197 176.094 -0.455 0.000 1.069 191 V CA 1.002 63.068 62.300 -0.390 0.000 1.173 191 V CB 1.246 32.777 31.823 -0.486 0.000 0.925 191 V HN 1.292 nan 8.190 nan 0.000 0.492 192 A N 2.984 125.474 122.820 -0.551 0.000 2.195 192 A HA 0.719 5.039 4.320 -0.000 0.000 0.210 192 A C 1.212 178.671 177.584 -0.208 0.000 1.165 192 A CA 0.749 52.486 52.037 -0.501 0.000 0.806 192 A CB -0.453 18.316 19.000 -0.386 0.000 0.847 192 A HN 2.050 nan 8.150 nan 0.000 0.482 193 G N -2.103 106.530 108.800 -0.278 0.000 2.321 193 G HA2 0.480 4.440 3.960 -0.000 0.000 0.296 193 G HA3 0.480 4.440 3.960 -0.000 0.000 0.296 193 G C -1.559 173.090 174.900 -0.418 0.000 1.287 193 G CA -0.709 44.377 45.100 -0.024 0.000 0.846 193 G HN 0.203 nan 8.290 nan 0.000 0.508 194 F N -0.590 119.347 119.950 -0.023 0.000 2.613 194 F HA 0.702 5.228 4.527 -0.000 0.000 0.310 194 F C 0.188 175.571 175.800 -0.696 0.000 1.085 194 F CA -0.873 56.988 58.000 -0.230 0.000 0.945 194 F CB 2.476 41.344 39.000 -0.221 0.000 1.298 194 F HN 0.502 nan 8.300 nan 0.000 0.455 195 R N 2.844 123.021 120.500 -0.538 0.000 2.207 195 R HA 0.565 4.905 4.340 -0.000 0.000 0.334 195 R C -1.594 174.527 176.300 -0.297 0.000 1.013 195 R CA -0.408 55.148 56.100 -0.907 0.000 0.858 195 R CB 0.514 30.478 30.300 -0.561 0.000 1.094 195 R HN 0.792 nan 8.270 nan 0.000 0.457 196 L N 4.775 125.852 121.223 -0.244 0.000 2.282 196 L HA 0.182 4.521 4.340 -0.000 0.000 0.287 196 L C 0.115 176.982 176.870 -0.005 0.000 1.075 196 L CA -0.598 54.189 54.840 -0.090 0.000 0.839 196 L CB 0.735 42.743 42.059 -0.084 0.000 1.219 196 L HN 0.673 nan 8.230 nan 0.000 0.434 197 D N 3.529 123.973 120.400 0.073 0.000 2.472 197 D HA 0.212 4.851 4.640 -0.000 0.000 0.237 197 D C 0.987 177.388 176.300 0.168 0.000 1.141 197 D CA 0.691 54.791 54.000 0.167 0.000 0.875 197 D CB 0.901 41.873 40.800 0.287 0.000 1.192 197 D HN 0.728 nan 8.370 nan 0.000 0.450 198 A N 2.741 125.678 122.820 0.195 0.000 2.704 198 A HA -0.253 4.067 4.320 -0.000 0.000 0.299 198 A C 1.823 179.500 177.584 0.155 0.000 1.507 198 A CA 1.235 53.429 52.037 0.263 0.000 0.776 198 A CB -2.068 17.157 19.000 0.376 0.000 1.027 198 A HN 0.462 nan 8.150 nan 0.000 0.475 199 S N -0.680 115.025 115.700 0.008 0.000 2.419 199 S HA -0.161 4.309 4.470 -0.000 0.000 0.233 199 S C 1.798 176.259 174.600 -0.232 0.000 1.016 199 S CA 1.492 59.634 58.200 -0.098 0.000 0.974 199 S CB -0.135 62.941 63.200 -0.206 0.000 0.786 199 S HN 0.867 nan 8.310 nan 0.000 0.492 200 K N 0.860 121.061 120.400 -0.332 0.000 2.209 200 K HA -0.135 4.184 4.320 -0.000 0.000 0.204 200 K C 1.108 177.470 176.600 -0.398 0.000 1.048 200 K CA 1.162 57.204 56.287 -0.408 0.000 0.940 200 K CB -0.121 32.090 32.500 -0.482 0.000 0.729 200 K HN 0.465 nan 8.250 nan 0.000 0.451 201 H N -0.405 118.637 119.070 -0.047 0.000 2.533 201 H HA 0.166 4.722 4.556 -0.000 0.000 0.271 201 H C 0.027 175.302 175.328 -0.089 0.000 1.000 201 H CA 0.404 56.406 56.048 -0.076 0.000 1.149 201 H CB 0.015 29.764 29.762 -0.020 0.000 1.375 201 H HN 0.187 nan 8.280 nan 0.000 0.582 202 M N -0.275 119.335 119.600 0.016 0.000 2.464 202 M HA 0.189 4.669 4.480 -0.000 0.000 0.308 202 M C -1.034 175.305 176.300 0.065 0.000 1.127 202 M CA -0.811 54.522 55.300 0.054 0.000 0.913 202 M CB 2.418 35.102 32.600 0.140 0.000 1.689 202 M HN -0.002 nan 8.290 nan 0.000 0.445 203 W N 2.611 123.965 121.300 0.090 0.000 2.216 203 W HA 0.214 4.874 4.660 -0.000 0.000 0.326 203 W C -1.770 174.720 176.519 -0.047 0.000 1.319 203 W CA -0.923 56.424 57.345 0.002 0.000 1.213 203 W CB -0.142 29.306 29.460 -0.020 0.000 1.171 203 W HN 0.494 nan 8.180 nan 0.000 0.557 204 P HA -0.221 nan 4.420 nan 0.000 0.216 204 P C 1.719 179.023 177.300 0.007 0.000 1.150 204 P CA 2.499 65.484 63.100 -0.192 0.000 0.843 204 P CB 0.098 31.524 31.700 -0.455 0.000 0.787 205 G N -0.635 108.194 108.800 0.049 0.000 2.408 205 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.217 205 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.217 205 G C 1.232 176.161 174.900 0.049 0.000 1.150 205 G CA 0.764 45.881 45.100 0.029 0.000 0.776 205 G HN 0.186 nan 8.290 nan 0.000 0.542 206 D N 0.544 121.011 120.400 0.110 0.000 2.149 206 D HA -0.020 4.620 4.640 -0.000 0.000 0.201 206 D C 2.564 178.906 176.300 0.069 0.000 0.972 206 D CA 0.299 54.357 54.000 0.096 0.000 0.835 206 D CB -0.091 40.807 40.800 0.164 0.000 0.966 206 D HN 0.345 nan 8.370 nan 0.000 0.476 207 I N 0.649 121.275 120.570 0.093 0.000 2.226 207 I HA -0.269 3.900 4.170 -0.000 0.000 0.245 207 I C 2.311 178.445 176.117 0.029 0.000 1.100 207 I CA 0.907 62.247 61.300 0.066 0.000 1.374 207 I CB -0.109 37.967 38.000 0.126 0.000 1.057 207 I HN -0.079 nan 8.210 nan 0.000 0.413 208 K N 1.790 122.212 120.400 0.038 0.000 2.032 208 K HA -0.165 4.155 4.320 -0.000 0.000 0.209 208 K C 2.041 178.642 176.600 0.001 0.000 1.048 208 K CA 1.930 58.229 56.287 0.020 0.000 0.927 208 K CB -0.488 32.026 32.500 0.023 0.000 0.712 208 K HN 0.279 nan 8.250 nan 0.000 0.441 209 A N 0.432 123.253 122.820 0.002 0.000 1.972 209 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 209 A C 2.260 179.829 177.584 -0.025 0.000 1.169 209 A CA 1.686 53.718 52.037 -0.008 0.000 0.635 209 A CB -0.608 18.390 19.000 -0.004 0.000 0.810 209 A HN 0.372 nan 8.150 nan 0.000 0.446 210 I N -0.465 120.085 120.570 -0.035 0.000 2.233 210 I HA -0.204 3.966 4.170 -0.000 0.000 0.243 210 I C 2.253 178.315 176.117 -0.092 0.000 1.093 210 I CA 0.914 62.171 61.300 -0.072 0.000 1.380 210 I CB -0.322 37.625 38.000 -0.088 0.000 1.067 210 I HN 0.273 nan 8.210 nan 0.000 0.413 211 L N 0.334 121.511 121.223 -0.076 0.000 2.131 211 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 211 L C 1.872 178.710 176.870 -0.053 0.000 1.092 211 L CA 1.122 55.915 54.840 -0.079 0.000 0.759 211 L CB -0.748 41.277 42.059 -0.057 0.000 0.903 211 L HN 0.291 nan 8.230 nan 0.000 0.435 212 D N 0.463 120.842 120.400 -0.034 0.000 2.309 212 D HA -0.130 4.510 4.640 -0.000 0.000 0.212 212 D C 1.723 178.015 176.300 -0.014 0.000 0.968 212 D CA 1.084 55.074 54.000 -0.017 0.000 0.882 212 D CB 0.078 40.873 40.800 -0.009 0.000 0.918 212 D HN 0.382 nan 8.370 nan 0.000 0.503 213 K N -0.301 120.078 120.400 -0.035 0.000 2.374 213 K HA 0.105 4.424 4.320 -0.000 0.000 0.196 213 K C 0.034 176.605 176.600 -0.049 0.000 1.023 213 K CA -0.338 55.930 56.287 -0.032 0.000 1.103 213 K CB 0.741 33.208 32.500 -0.055 0.000 0.848 213 K HN -0.069 nan 8.250 nan 0.000 0.528 214 L N 1.810 122.994 121.223 -0.065 0.000 2.371 214 L HA 0.113 4.453 4.340 -0.000 0.000 0.272 214 L C 0.610 177.509 176.870 0.047 0.000 1.124 214 L CA -0.045 54.739 54.840 -0.093 0.000 0.816 214 L CB 0.205 42.203 42.059 -0.103 0.000 1.129 214 L HN 0.129 nan 8.230 nan 0.000 0.448 215 H N 1.169 120.231 119.070 -0.013 0.000 2.548 215 H HA 0.306 4.862 4.556 -0.000 0.000 0.366 215 H C 0.037 175.360 175.328 -0.008 0.000 1.433 215 H CA -0.468 55.578 56.048 -0.004 0.000 1.443 215 H CB 0.339 30.106 29.762 0.009 0.000 1.594 215 H HN 0.457 nan 8.280 nan 0.000 0.608 216 N N -0.086 118.699 118.700 0.141 0.000 2.434 216 N HA 0.168 4.908 4.740 -0.000 0.000 0.266 216 N C 0.211 175.742 175.510 0.034 0.000 1.223 216 N CA -0.536 52.545 53.050 0.052 0.000 0.972 216 N CB 0.782 39.287 38.487 0.030 0.000 1.207 216 N HN 0.295 nan 8.380 nan 0.000 0.525 217 L N 0.793 121.974 121.223 -0.069 0.000 2.482 217 L HA 0.037 4.377 4.340 -0.000 0.000 0.273 217 L C 1.013 177.931 176.870 0.080 0.000 1.228 217 L CA -0.203 54.535 54.840 -0.170 0.000 0.827 217 L CB -0.052 41.577 42.059 -0.717 0.000 1.099 217 L HN 0.534 nan 8.230 nan 0.000 0.494 218 N N 0.057 118.893 118.700 0.227 0.000 2.374 218 N HA -0.089 4.651 4.740 -0.000 0.000 0.269 218 N C 1.040 176.761 175.510 0.350 0.000 1.310 218 N CA 0.172 53.415 53.050 0.321 0.000 0.877 218 N CB 0.638 39.395 38.487 0.450 0.000 1.096 218 N HN 0.610 nan 8.380 nan 0.000 0.484 219 S N 2.447 118.243 115.700 0.160 0.000 2.595 219 S HA -0.073 4.397 4.470 -0.000 0.000 0.235 219 S C 1.125 175.722 174.600 -0.005 0.000 0.974 219 S CA 0.296 58.553 58.200 0.095 0.000 0.942 219 S CB -0.096 63.125 63.200 0.036 0.000 0.766 219 S HN 0.628 nan 8.310 nan 0.000 0.536 220 N N 0.186 118.820 118.700 -0.110 0.000 2.376 220 N HA 0.046 4.786 4.740 -0.000 0.000 0.177 220 N C 0.750 175.979 175.510 -0.468 0.000 1.024 220 N CA 0.916 53.727 53.050 -0.398 0.000 0.893 220 N CB -0.034 38.000 38.487 -0.756 0.000 0.980 220 N HN 0.605 nan 8.380 nan 0.000 0.439 221 W N -0.316 120.923 121.300 -0.101 0.000 2.866 221 W HA 0.284 4.944 4.660 -0.000 0.000 0.258 221 W C -0.087 176.106 176.519 -0.543 0.000 1.183 221 W CA -0.164 56.948 57.345 -0.388 0.000 1.451 221 W CB 0.032 29.103 29.460 -0.649 0.000 0.959 221 W HN -0.179 nan 8.180 nan 0.000 0.622 222 F N 1.716 121.774 119.950 0.181 0.000 2.538 222 F HA 0.474 5.001 4.527 -0.000 0.000 0.325 222 F C -1.679 174.152 175.800 0.051 0.000 1.066 222 F CA -2.867 55.192 58.000 0.098 0.000 0.946 222 F CB -0.093 38.957 39.000 0.083 0.000 1.199 222 F HN -0.431 nan 8.300 nan 0.000 0.473 223 P HA 0.151 nan 4.420 nan 0.000 0.269 223 P C -0.772 176.597 177.300 0.115 0.000 1.215 223 P CA -0.294 62.879 63.100 0.121 0.000 0.780 223 P CB 0.628 32.384 31.700 0.093 0.000 0.898 224 A N 1.405 124.267 122.820 0.070 0.000 2.531 224 A HA 0.401 4.721 4.320 -0.000 0.000 0.236 224 A C 1.475 179.086 177.584 0.046 0.000 1.062 224 A CA 0.709 52.777 52.037 0.052 0.000 0.760 224 A CB -1.381 17.637 19.000 0.030 0.000 0.995 224 A HN 0.938 nan 8.150 nan 0.000 0.501 225 G N 1.328 110.150 108.800 0.036 0.000 2.143 225 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.249 225 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.249 225 G C 0.380 175.294 174.900 0.024 0.000 0.981 225 G CA 0.362 45.478 45.100 0.027 0.000 0.665 225 G HN 1.229 nan 8.290 nan 0.000 0.528 226 S N 1.008 116.725 115.700 0.028 0.000 2.481 226 S HA 0.408 4.878 4.470 -0.000 0.000 0.276 226 S C 0.540 175.116 174.600 -0.040 0.000 1.247 226 S CA -0.020 58.181 58.200 0.001 0.000 1.053 226 S CB 1.052 64.257 63.200 0.009 0.000 0.925 226 S HN 0.450 nan 8.310 nan 0.000 0.491 227 K N 4.323 124.704 120.400 -0.032 0.000 2.143 227 K HA 0.320 4.639 4.320 -0.000 0.000 0.272 227 K C -2.376 174.200 176.600 -0.039 0.000 1.001 227 K CA -2.044 54.224 56.287 -0.032 0.000 0.915 227 K CB 0.498 32.980 32.500 -0.030 0.000 1.047 227 K HN 0.344 nan 8.250 nan 0.000 0.458 228 P HA -0.104 nan 4.420 nan 0.000 0.266 228 P C -0.573 176.801 177.300 0.124 0.000 1.195 228 P CA -0.112 63.002 63.100 0.022 0.000 0.768 228 P CB 0.349 32.117 31.700 0.113 0.000 0.838 229 F N 4.559 124.507 119.950 -0.004 0.000 2.538 229 F HA 0.215 4.741 4.527 -0.000 0.000 0.371 229 F C -0.157 175.695 175.800 0.088 0.000 1.087 229 F CA -0.589 57.418 58.000 0.012 0.000 1.250 229 F CB -0.072 38.947 39.000 0.031 0.000 1.110 229 F HN 0.112 nan 8.300 nan 0.000 0.570 230 I N 8.742 129.130 120.570 -0.304 0.000 2.410 230 I HA 0.169 4.339 4.170 -0.000 0.000 0.286 230 I C -1.233 174.615 176.117 -0.449 0.000 1.009 230 I CA -0.744 60.362 61.300 -0.323 0.000 1.111 230 I CB 1.047 38.961 38.000 -0.144 0.000 1.262 230 I HN 0.562 nan 8.210 nan 0.000 0.443 231 Y N 3.615 123.571 120.300 -0.573 0.000 2.332 231 Y HA 0.672 5.221 4.550 -0.000 0.000 0.326 231 Y C -0.425 175.378 175.900 -0.162 0.000 0.978 231 Y CA -1.184 56.676 58.100 -0.399 0.000 1.205 231 Y CB 0.684 38.853 38.460 -0.486 0.000 1.131 231 Y HN 0.484 nan 8.280 nan 0.000 0.462 232 Q N 2.924 122.734 119.800 0.017 0.000 2.288 232 Q HA 0.138 4.477 4.340 -0.000 0.000 0.258 232 Q C -0.358 175.664 176.000 0.036 0.000 0.957 232 Q CA -0.494 55.298 55.803 -0.017 0.000 0.919 232 Q CB 1.535 30.259 28.738 -0.022 0.000 1.185 232 Q HN 0.693 nan 8.270 nan 0.000 0.408 233 E N 3.285 123.510 120.200 0.041 0.000 2.003 233 E HA 0.142 4.492 4.350 -0.000 0.000 0.279 233 E C -1.343 175.284 176.600 0.045 0.000 1.132 233 E CA -0.204 56.289 56.400 0.155 0.000 0.888 233 E CB 0.501 30.319 29.700 0.196 0.000 1.056 233 E HN 0.326 nan 8.360 nan 0.000 0.399 234 V N 7.497 127.451 119.914 0.068 0.000 2.380 234 V HA 0.266 4.385 4.120 -0.000 0.000 0.286 234 V C 0.201 176.312 176.094 0.029 0.000 1.015 234 V CA -0.638 61.598 62.300 -0.106 0.000 0.834 234 V CB 1.277 32.928 31.823 -0.288 0.000 1.009 234 V HN 0.610 nan 8.190 nan 0.000 0.428 235 I N 4.324 124.805 120.570 -0.148 0.000 2.311 235 I HA 0.255 4.425 4.170 -0.000 0.000 0.297 235 I C -0.216 175.819 176.117 -0.135 0.000 1.131 235 I CA 0.383 61.498 61.300 -0.309 0.000 1.289 235 I CB 0.289 37.951 38.000 -0.564 0.000 1.446 235 I HN 0.554 nan 8.210 nan 0.000 0.524 236 D N 7.425 127.821 120.400 -0.005 0.000 2.440 236 D HA 0.288 4.928 4.640 -0.000 0.000 0.252 236 D C 0.087 176.414 176.300 0.046 0.000 1.180 236 D CA -0.400 53.608 54.000 0.012 0.000 0.894 236 D CB 1.156 41.979 40.800 0.037 0.000 1.111 236 D HN 0.387 nan 8.370 nan 0.000 0.544 237 L N 2.889 124.123 121.223 0.017 0.000 2.700 237 L HA 0.466 4.806 4.340 -0.000 0.000 0.234 237 L C 1.239 178.135 176.870 0.045 0.000 1.156 237 L CA 0.040 54.906 54.840 0.043 0.000 0.946 237 L CB -0.444 41.630 42.059 0.024 0.000 1.216 237 L HN 0.662 nan 8.230 nan 0.000 0.493 238 G N -0.275 108.546 108.800 0.036 0.000 2.796 238 G HA2 0.049 4.009 3.960 -0.000 0.000 0.571 238 G HA3 0.049 4.009 3.960 -0.000 0.000 0.571 238 G C 0.621 175.531 174.900 0.018 0.000 1.370 238 G CA -0.374 44.746 45.100 0.033 0.000 0.856 238 G HN 0.524 nan 8.290 nan 0.000 0.538 239 G N -1.273 107.536 108.800 0.016 0.000 2.212 239 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.266 239 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.266 239 G C 0.269 175.178 174.900 0.016 0.000 0.978 239 G CA 1.807 46.914 45.100 0.011 0.000 0.632 239 G HN 1.296 nan 8.290 nan 0.000 0.537 240 E N 0.018 120.230 120.200 0.020 0.000 2.299 240 E HA 0.428 4.778 4.350 -0.000 0.000 0.265 240 E C -1.320 175.298 176.600 0.029 0.000 0.911 240 E CA -1.555 54.865 56.400 0.034 0.000 0.789 240 E CB 2.177 31.905 29.700 0.046 0.000 1.246 240 E HN 0.069 nan 8.360 nan 0.000 0.427 241 P HA -0.063 nan 4.420 nan 0.000 0.217 241 P C 0.400 177.711 177.300 0.019 0.000 1.150 241 P CA 0.987 64.100 63.100 0.022 0.000 0.832 241 P CB 0.358 32.070 31.700 0.021 0.000 0.787 242 I N 1.040 121.621 120.570 0.019 0.000 2.533 242 I HA 0.029 4.199 4.170 -0.000 0.000 0.284 242 I C 0.688 176.828 176.117 0.038 0.000 1.109 242 I CA 0.211 61.526 61.300 0.025 0.000 1.412 242 I CB 0.169 38.175 38.000 0.011 0.000 1.396 242 I HN -0.140 nan 8.210 nan 0.000 0.543 243 K N 4.264 124.691 120.400 0.045 0.000 2.270 243 K HA 0.248 4.568 4.320 -0.000 0.000 0.255 243 K C 0.909 177.543 176.600 0.057 0.000 0.936 243 K CA -0.494 55.808 56.287 0.025 0.000 0.809 243 K CB 1.826 34.314 32.500 -0.019 0.000 1.131 243 K HN 0.655 nan 8.250 nan 0.000 0.427 244 S N 0.331 116.055 115.700 0.039 0.000 2.469 244 S HA -0.194 4.276 4.470 -0.000 0.000 0.238 244 S C 1.793 176.288 174.600 -0.176 0.000 0.998 244 S CA 1.509 59.747 58.200 0.064 0.000 0.957 244 S CB -0.420 62.835 63.200 0.092 0.000 0.764 244 S HN 0.662 nan 8.310 nan 0.000 0.514 245 S N 1.795 117.180 115.700 -0.525 0.000 2.442 245 S HA -0.140 4.330 4.470 -0.000 0.000 0.236 245 S C 1.176 175.316 174.600 -0.766 0.000 1.007 245 S CA 1.171 58.577 58.200 -1.324 0.000 0.965 245 S CB -0.690 62.069 63.200 -0.735 0.000 0.773 245 S HN 0.441 nan 8.310 nan 0.000 0.504 246 D N 0.470 120.690 120.400 -0.301 0.000 2.310 246 D HA 0.011 4.651 4.640 -0.000 0.000 0.212 246 D C 0.599 176.716 176.300 -0.305 0.000 0.965 246 D CA 0.841 54.686 54.000 -0.258 0.000 0.879 246 D CB -0.248 40.388 40.800 -0.273 0.000 0.921 246 D HN 0.641 nan 8.370 nan 0.000 0.510 247 Y N -1.303 118.926 120.300 -0.119 0.000 2.458 247 Y HA 0.139 4.689 4.550 -0.000 0.000 0.256 247 Y C 1.307 177.353 175.900 0.244 0.000 1.159 247 Y CA -0.407 57.727 58.100 0.056 0.000 1.261 247 Y CB -0.031 38.472 38.460 0.072 0.000 1.119 247 Y HN -0.130 nan 8.280 nan 0.000 0.524 248 F N -0.040 120.042 119.950 0.220 0.000 2.250 248 F HA -0.098 4.429 4.527 -0.000 0.000 0.301 248 F C 2.285 178.239 175.800 0.257 0.000 1.077 248 F CA 1.012 59.135 58.000 0.205 0.000 1.348 248 F CB -1.263 37.802 39.000 0.110 0.000 1.040 248 F HN 0.110 nan 8.300 nan 0.000 0.509 249 G N -0.744 108.279 108.800 0.372 0.000 2.679 249 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.212 249 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.212 249 G C 1.508 176.555 174.900 0.245 0.000 1.137 249 G CA 0.385 45.657 45.100 0.286 0.000 0.787 249 G HN 0.266 nan 8.290 nan 0.000 0.534 250 N N 0.160 119.007 118.700 0.245 0.000 2.414 250 N HA 0.242 4.982 4.740 -0.000 0.000 0.177 250 N C 1.116 176.649 175.510 0.038 0.000 1.062 250 N CA 1.004 54.131 53.050 0.129 0.000 0.890 250 N CB 1.275 39.852 38.487 0.149 0.000 1.070 250 N HN 0.424 nan 8.380 nan 0.000 0.454 251 G N -0.064 108.845 108.800 0.182 0.000 2.350 251 G HA2 0.086 4.045 3.960 -0.000 0.000 0.276 251 G HA3 0.086 4.045 3.960 -0.000 0.000 0.276 251 G C -1.288 173.822 174.900 0.349 0.000 1.313 251 G CA -0.921 44.209 45.100 0.051 0.000 0.903 251 G HN -0.021 nan 8.290 nan 0.000 0.490 252 R N -1.019 119.623 120.500 0.236 0.000 2.726 252 R HA 0.588 4.928 4.340 -0.000 0.000 0.272 252 R C 0.151 176.571 176.300 0.201 0.000 1.097 252 R CA 0.153 56.383 56.100 0.216 0.000 1.198 252 R CB 1.024 31.423 30.300 0.165 0.000 1.114 252 R HN 1.081 nan 8.270 nan 0.000 0.550 253 V N -2.872 117.170 119.914 0.213 0.000 3.007 253 V HA 0.440 4.560 4.120 -0.000 0.000 0.311 253 V C -0.056 176.152 176.094 0.190 0.000 1.120 253 V CA -1.156 61.273 62.300 0.215 0.000 0.980 253 V CB 1.837 33.832 31.823 0.287 0.000 1.033 253 V HN 0.915 nan 8.190 nan 0.000 0.429 254 T N -0.267 114.417 114.554 0.217 0.000 2.851 254 T HA 0.460 4.810 4.350 -0.000 0.000 0.298 254 T C -0.117 174.687 174.700 0.173 0.000 0.977 254 T CA -0.004 62.230 62.100 0.223 0.000 1.126 254 T CB 1.042 70.078 68.868 0.280 0.000 0.916 254 T HN 1.011 nan 8.240 nan 0.000 0.529 255 E N 2.224 122.413 120.200 -0.019 0.000 2.079 255 E HA 0.318 4.668 4.350 -0.000 0.000 0.252 255 E C -0.423 175.971 176.600 -0.345 0.000 0.992 255 E CA -1.075 55.253 56.400 -0.120 0.000 0.829 255 E CB -0.633 28.971 29.700 -0.159 0.000 1.158 255 E HN 0.666 nan 8.360 nan 0.000 0.435 256 F N 2.139 122.014 119.950 -0.125 0.000 2.604 256 F HA 0.028 4.555 4.527 0.000 0.000 0.298 256 F C 1.671 177.353 175.800 -0.196 0.000 1.131 256 F CA 0.701 58.617 58.000 -0.139 0.000 1.457 256 F CB 0.179 39.198 39.000 0.031 0.000 1.095 256 F HN 0.349 nan 8.300 nan 0.000 0.574 257 K N -1.125 119.203 120.400 -0.121 0.000 2.288 257 K HA -0.174 4.146 4.320 -0.000 0.000 0.201 257 K C 1.706 178.053 176.600 -0.422 0.000 1.048 257 K CA 0.799 56.984 56.287 -0.171 0.000 0.956 257 K CB -0.304 32.123 32.500 -0.121 0.000 0.746 257 K HN 0.246 nan 8.250 nan 0.000 0.461 258 Y N 1.356 121.124 120.300 -0.887 0.000 2.049 258 Y HA -0.229 4.321 4.550 -0.000 0.000 0.277 258 Y C 2.402 178.145 175.900 -0.262 0.000 1.143 258 Y CA 2.101 59.716 58.100 -0.808 0.000 1.115 258 Y CB -0.706 37.287 38.460 -0.779 0.000 0.975 258 Y HN 0.037 nan 8.280 nan 0.000 0.487 259 G N -0.827 107.910 108.800 -0.106 0.000 2.422 259 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.218 259 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.218 259 G C 1.746 176.624 174.900 -0.037 0.000 1.140 259 G CA 0.770 45.839 45.100 -0.053 0.000 0.775 259 G HN 0.621 nan 8.290 nan 0.000 0.545 260 A N 0.816 123.629 122.820 -0.011 0.000 1.902 260 A HA 0.025 4.345 4.320 -0.000 0.000 0.217 260 A C 2.380 179.986 177.584 0.036 0.000 1.181 260 A CA 1.777 53.834 52.037 0.034 0.000 0.623 260 A CB -0.212 18.836 19.000 0.079 0.000 0.818 260 A HN 0.192 nan 8.150 nan 0.000 0.443 261 K N -0.741 119.713 120.400 0.091 0.000 2.116 261 K HA 0.027 4.347 4.320 -0.000 0.000 0.203 261 K C 1.828 178.424 176.600 -0.008 0.000 1.052 261 K CA 0.815 57.210 56.287 0.179 0.000 0.952 261 K CB -0.808 31.967 32.500 0.458 0.000 0.729 261 K HN 0.419 nan 8.250 nan 0.000 0.446 262 L N 0.970 122.121 121.223 -0.120 0.000 2.131 262 L HA -0.030 4.310 4.340 -0.000 0.000 0.210 262 L C 1.951 178.609 176.870 -0.354 0.000 1.092 262 L CA 1.916 56.497 54.840 -0.432 0.000 0.759 262 L CB -0.959 40.818 42.059 -0.470 0.000 0.903 262 L HN 0.205 nan 8.230 nan 0.000 0.435 263 G N -1.647 107.011 108.800 -0.237 0.000 2.404 263 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.215 263 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.215 263 G C 1.525 176.183 174.900 -0.403 0.000 1.174 263 G CA 1.210 46.138 45.100 -0.286 0.000 0.780 263 G HN 0.500 nan 8.290 nan 0.000 0.537 264 T N -0.497 113.881 114.554 -0.293 0.000 2.788 264 T HA -0.111 4.239 4.350 -0.000 0.000 0.268 264 T C 2.281 176.883 174.700 -0.165 0.000 1.044 264 T CA 1.542 63.504 62.100 -0.230 0.000 1.139 264 T CB -0.504 68.399 68.868 0.059 0.000 0.867 264 T HN 0.012 nan 8.240 nan 0.000 0.454 265 V N 1.650 121.461 119.914 -0.172 0.000 2.270 265 V HA -0.048 4.072 4.120 -0.000 0.000 0.245 265 V C 2.758 178.680 176.094 -0.286 0.000 1.043 265 V CA 1.698 63.876 62.300 -0.203 0.000 1.014 265 V CB -0.588 31.032 31.823 -0.337 0.000 0.645 265 V HN 0.501 nan 8.190 nan 0.000 0.447 266 I N -0.468 119.882 120.570 -0.366 0.000 2.394 266 I HA -0.188 3.982 4.170 -0.000 0.000 0.251 266 I C 2.521 178.481 176.117 -0.262 0.000 1.136 266 I CA 1.368 62.465 61.300 -0.340 0.000 1.425 266 I CB -0.369 37.418 38.000 -0.356 0.000 1.079 266 I HN 0.236 nan 8.210 nan 0.000 0.425 267 R N 0.990 121.294 120.500 -0.326 0.000 2.299 267 R HA 0.029 4.369 4.340 -0.000 0.000 0.197 267 R C 0.224 176.478 176.300 -0.077 0.000 0.971 267 R CA 0.102 56.014 56.100 -0.314 0.000 1.030 267 R CB 0.063 29.865 30.300 -0.829 0.000 0.932 267 R HN 0.177 nan 8.270 nan 0.000 0.477 268 K N -0.350 120.008 120.400 -0.071 0.000 3.125 268 K HA -0.160 4.160 4.320 -0.000 0.000 0.268 268 K C -1.088 175.669 176.600 0.261 0.000 1.078 268 K CA 0.330 56.647 56.287 0.050 0.000 0.775 268 K CB -0.981 31.525 32.500 0.011 0.000 1.253 268 K HN 0.132 nan 8.250 nan 0.000 0.486 269 W N 0.993 122.282 121.300 -0.019 0.000 2.313 269 W HA 0.244 4.904 4.660 0.000 0.000 0.328 269 W C 1.138 177.667 176.519 0.018 0.000 1.197 269 W CA -0.550 56.794 57.345 -0.002 0.000 1.235 269 W CB -0.141 29.320 29.460 0.002 0.000 1.158 269 W HN 0.276 nan 8.180 nan 0.000 0.578 270 N N 0.512 119.328 118.700 0.192 0.000 2.714 270 N HA -0.241 4.499 4.740 -0.000 0.000 0.250 270 N C 0.900 176.481 175.510 0.119 0.000 1.117 270 N CA 0.471 53.593 53.050 0.119 0.000 0.719 270 N CB -1.127 37.441 38.487 0.135 0.000 1.081 270 N HN 0.935 nan 8.380 nan 0.000 0.557 271 G N -0.647 108.225 108.800 0.119 0.000 2.159 271 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.256 271 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.256 271 G C -0.068 174.928 174.900 0.160 0.000 0.977 271 G CA 0.478 45.650 45.100 0.120 0.000 0.652 271 G HN 0.474 nan 8.290 nan 0.000 0.531 272 E N 0.892 121.193 120.200 0.168 0.000 2.398 272 E HA 0.400 4.750 4.350 -0.000 0.000 0.263 272 E C 0.712 177.274 176.600 -0.063 0.000 1.046 272 E CA 0.668 57.173 56.400 0.175 0.000 0.908 272 E CB 0.804 30.618 29.700 0.189 0.000 0.963 272 E HN 0.796 nan 8.360 nan 0.000 0.431 273 K N 0.957 121.165 120.400 -0.320 0.000 2.532 273 K HA 0.355 4.674 4.320 -0.000 0.000 0.265 273 K C 0.644 176.986 176.600 -0.429 0.000 0.948 273 K CA -0.791 55.219 56.287 -0.461 0.000 0.842 273 K CB 1.019 33.157 32.500 -0.602 0.000 1.392 273 K HN 0.196 nan 8.250 nan 0.000 0.436 274 M N 1.165 120.552 119.600 -0.354 0.000 2.267 274 M HA -0.171 4.309 4.480 -0.000 0.000 0.263 274 M C 1.769 178.012 176.300 -0.095 0.000 1.063 274 M CA 2.118 57.222 55.300 -0.326 0.000 1.090 274 M CB -0.398 31.970 32.600 -0.387 0.000 1.392 274 M HN 0.874 nan 8.290 nan 0.000 0.422 275 S N -0.259 115.381 115.700 -0.100 0.000 2.442 275 S HA -0.160 4.310 4.470 -0.000 0.000 0.236 275 S C 1.406 176.207 174.600 0.335 0.000 1.007 275 S CA 0.889 59.189 58.200 0.167 0.000 0.965 275 S CB -0.719 62.505 63.200 0.039 0.000 0.773 275 S HN 0.458 nan 8.310 nan 0.000 0.504 276 Y N 1.474 121.858 120.300 0.140 0.000 2.583 276 Y HA 0.367 4.916 4.550 -0.000 0.000 0.293 276 Y C 1.710 177.763 175.900 0.254 0.000 1.157 276 Y CA -0.935 57.267 58.100 0.169 0.000 1.315 276 Y CB -0.836 37.741 38.460 0.196 0.000 1.021 276 Y HN 0.288 nan 8.280 nan 0.000 0.536 277 L N -0.179 121.157 121.223 0.189 0.000 2.610 277 L HA -0.079 4.261 4.340 -0.000 0.000 0.232 277 L C 2.352 179.057 176.870 -0.276 0.000 1.149 277 L CA 0.525 55.299 54.840 -0.110 0.000 0.872 277 L CB -0.307 41.456 42.059 -0.494 0.000 0.992 277 L HN 0.099 nan 8.230 nan 0.000 0.447 278 K N 1.714 121.753 120.400 -0.602 0.000 2.074 278 K HA -0.213 4.107 4.320 -0.000 0.000 0.209 278 K C 1.316 177.629 176.600 -0.478 0.000 1.048 278 K CA 1.895 57.471 56.287 -1.187 0.000 0.926 278 K CB 0.003 31.912 32.500 -0.986 0.000 0.713 278 K HN 0.435 nan 8.250 nan 0.000 0.444 279 N N -0.209 118.398 118.700 -0.155 0.000 2.320 279 N HA -0.092 4.648 4.740 -0.000 0.000 0.237 279 N C -0.382 175.143 175.510 0.025 0.000 1.129 279 N CA -0.413 52.603 53.050 -0.057 0.000 0.854 279 N CB -0.583 37.890 38.487 -0.023 0.000 1.083 279 N HN 0.266 nan 8.380 nan 0.000 0.504 280 W N 1.381 122.446 121.300 -0.392 0.000 2.377 280 W HA 0.219 4.879 4.660 -0.001 0.000 0.341 280 W C 0.656 176.783 176.519 -0.652 0.000 1.240 280 W CA 2.127 59.010 57.345 -0.770 0.000 1.311 280 W CB 0.389 29.304 29.460 -0.908 0.000 1.175 280 W HN 0.470 nan 8.180 nan 0.000 0.571 281 G N 3.701 111.666 108.800 -1.393 0.000 2.460 281 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.207 281 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.207 281 G C 0.303 174.735 174.900 -0.780 0.000 1.170 281 G CA 0.104 44.512 45.100 -1.154 0.000 1.151 281 G HN 0.464 nan 8.290 nan 0.000 0.575 282 E N 0.811 120.861 120.200 -0.249 0.000 2.209 282 E HA 0.054 4.404 4.350 -0.000 0.000 0.196 282 E C 2.497 178.989 176.600 -0.181 0.000 0.993 282 E CA 1.771 58.114 56.400 -0.095 0.000 0.819 282 E CB -0.557 29.162 29.700 0.032 0.000 0.745 282 E HN 0.866 nan 8.360 nan 0.000 0.477 283 G N -0.488 108.194 108.800 -0.196 0.000 2.498 283 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.219 283 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.219 283 G C 0.397 175.149 174.900 -0.247 0.000 1.119 283 G CA 0.251 45.256 45.100 -0.159 0.000 0.766 283 G HN 0.255 nan 8.290 nan 0.000 0.552 284 W N 0.080 120.926 121.300 -0.756 0.000 3.325 284 W HA 0.460 5.119 4.660 -0.001 0.000 0.370 284 W C 1.529 177.623 176.519 -0.708 0.000 1.169 284 W CA -0.469 56.339 57.345 -0.894 0.000 1.874 284 W CB -0.033 28.504 29.460 -1.540 0.000 1.076 284 W HN 0.273 nan 8.180 nan 0.000 0.684 285 G N -0.217 108.426 108.800 -0.261 0.000 2.147 285 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.244 285 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.244 285 G C -0.035 174.983 174.900 0.196 0.000 1.005 285 G CA -0.466 44.616 45.100 -0.031 0.000 0.713 285 G HN 0.008 nan 8.290 nan 0.000 0.515 286 F N 0.052 119.964 119.950 -0.063 0.000 2.370 286 F HA 0.628 5.154 4.527 -0.000 0.000 0.319 286 F C 1.387 177.249 175.800 0.103 0.000 1.129 286 F CA -1.463 56.512 58.000 -0.042 0.000 1.109 286 F CB 0.520 39.343 39.000 -0.294 0.000 1.262 286 F HN 0.337 nan 8.300 nan 0.000 0.534 287 V N -0.242 119.914 119.914 0.403 0.000 3.237 287 V HA 0.308 4.428 4.120 -0.000 0.000 0.305 287 V C -2.518 173.744 176.094 0.279 0.000 1.096 287 V CA -1.807 60.718 62.300 0.375 0.000 1.130 287 V CB -0.315 31.764 31.823 0.426 0.000 1.048 287 V HN 0.517 nan 8.190 nan 0.000 0.484 288 P HA 0.084 nan 4.420 nan 0.000 0.266 288 P C 0.976 178.191 177.300 -0.141 0.000 1.195 288 P CA 0.663 63.746 63.100 -0.028 0.000 0.768 288 P CB 0.790 32.376 31.700 -0.189 0.000 0.838 289 S N 2.735 118.331 115.700 -0.174 0.000 2.380 289 S HA -0.218 4.252 4.470 -0.000 0.000 0.229 289 S C 1.344 175.714 174.600 -0.383 0.000 1.043 289 S CA 2.092 59.980 58.200 -0.520 0.000 1.038 289 S CB -0.927 62.068 63.200 -0.341 0.000 0.872 289 S HN 0.642 nan 8.310 nan 0.000 0.456 290 D N -0.344 119.901 120.400 -0.257 0.000 2.378 290 D HA -0.037 4.603 4.640 -0.000 0.000 0.227 290 D C 1.316 177.484 176.300 -0.220 0.000 1.012 290 D CA 0.351 54.225 54.000 -0.210 0.000 0.905 290 D CB -0.257 40.426 40.800 -0.195 0.000 0.895 290 D HN 0.297 nan 8.370 nan 0.000 0.532 291 R N -0.215 120.113 120.500 -0.287 0.000 2.535 291 R HA 0.455 4.795 4.340 -0.000 0.000 0.323 291 R C -0.086 176.149 176.300 -0.109 0.000 0.979 291 R CA -0.189 55.751 56.100 -0.267 0.000 1.120 291 R CB 0.891 30.743 30.300 -0.747 0.000 1.306 291 R HN 0.177 nan 8.270 nan 0.000 0.540 292 A N 1.436 124.169 122.820 -0.145 0.000 2.324 292 A HA 0.564 4.884 4.320 -0.000 0.000 0.330 292 A C -0.706 176.841 177.584 -0.063 0.000 1.165 292 A CA -0.497 51.476 52.037 -0.106 0.000 0.813 292 A CB 1.120 19.978 19.000 -0.237 0.000 1.197 292 A HN 0.122 nan 8.150 nan 0.000 0.484 293 L N 4.882 126.099 121.223 -0.011 0.000 2.316 293 L HA 0.608 4.948 4.340 -0.000 0.000 0.280 293 L C -0.430 176.420 176.870 -0.034 0.000 1.006 293 L CA -0.374 54.468 54.840 0.003 0.000 0.836 293 L CB 0.784 42.823 42.059 -0.034 0.000 1.221 293 L HN 0.688 nan 8.230 nan 0.000 0.418 294 V N 3.196 122.996 119.914 -0.190 0.000 2.850 294 V HA 0.843 4.962 4.120 -0.000 0.000 0.315 294 V C -0.671 175.283 176.094 -0.233 0.000 1.064 294 V CA -0.553 61.440 62.300 -0.513 0.000 0.979 294 V CB 1.817 32.976 31.823 -1.107 0.000 1.039 294 V HN 0.713 nan 8.190 nan 0.000 0.452 295 F N -0.739 118.966 119.950 -0.409 0.000 2.769 295 F HA 0.716 5.243 4.527 -0.001 0.000 0.313 295 F C -0.025 175.761 175.800 -0.023 0.000 1.146 295 F CA -0.884 56.999 58.000 -0.195 0.000 0.934 295 F CB 0.578 39.471 39.000 -0.178 0.000 1.283 295 F HN 0.254 nan 8.300 nan 0.000 0.443 296 V N 0.135 120.141 119.914 0.154 0.000 2.302 296 V HA 0.019 4.139 4.120 -0.000 0.000 0.243 296 V C 0.247 176.484 176.094 0.238 0.000 1.036 296 V CA 2.061 64.450 62.300 0.149 0.000 1.020 296 V CB -0.528 31.352 31.823 0.095 0.000 0.657 296 V HN 0.921 nan 8.190 nan 0.000 0.453 297 D N -0.411 120.221 120.400 0.387 0.000 2.581 297 D HA 0.300 4.940 4.640 -0.000 0.000 0.232 297 D C -0.970 175.540 176.300 0.351 0.000 1.143 297 D CA -0.640 53.581 54.000 0.367 0.000 0.881 297 D CB 1.848 42.816 40.800 0.280 0.000 1.500 297 D HN 0.293 nan 8.370 nan 0.000 0.458 298 N N -1.447 117.368 118.700 0.192 0.000 2.701 298 N HA 0.075 4.815 4.740 -0.000 0.000 0.290 298 N C 1.217 176.636 175.510 -0.151 0.000 1.338 298 N CA -0.471 52.552 53.050 -0.045 0.000 0.799 298 N CB 0.537 38.847 38.487 -0.294 0.000 1.491 298 N HN 0.612 nan 8.380 nan 0.000 0.540 299 H N -0.866 118.022 119.070 -0.303 0.000 2.457 299 H HA -0.067 4.489 4.556 -0.000 0.000 0.297 299 H C -0.157 174.768 175.328 -0.672 0.000 1.092 299 H CA 1.460 57.053 56.048 -0.758 0.000 1.309 299 H CB -0.080 28.997 29.762 -1.142 0.000 1.382 299 H HN 0.491 nan 8.280 nan 0.000 0.535 300 D N 1.433 121.278 120.400 -0.925 0.000 2.154 300 D HA -0.126 4.513 4.640 -0.000 0.000 0.211 300 D C 2.030 178.243 176.300 -0.145 0.000 0.977 300 D CA 1.479 55.181 54.000 -0.497 0.000 0.869 300 D CB -0.335 40.258 40.800 -0.345 0.000 1.022 300 D HN 0.581 nan 8.370 nan 0.000 0.461 301 N N 1.226 119.911 118.700 -0.024 0.000 2.512 301 N HA -0.172 4.568 4.740 -0.000 0.000 0.183 301 N C 1.491 177.065 175.510 0.107 0.000 1.073 301 N CA 0.790 53.897 53.050 0.095 0.000 0.911 301 N CB -0.768 37.830 38.487 0.185 0.000 0.964 301 N HN 0.376 nan 8.380 nan 0.000 0.447 302 Q N 0.586 120.417 119.800 0.051 0.000 2.436 302 Q HA -0.066 4.274 4.340 -0.000 0.000 0.209 302 Q C 0.854 177.003 176.000 0.248 0.000 0.965 302 Q CA 0.748 56.627 55.803 0.127 0.000 0.910 302 Q CB -0.128 28.666 28.738 0.094 0.000 0.980 302 Q HN 0.632 nan 8.270 nan 0.000 0.491 303 R N -0.997 119.583 120.500 0.134 0.000 2.629 303 R HA 0.408 4.748 4.340 -0.000 0.000 0.408 303 R C 0.521 177.007 176.300 0.309 0.000 1.057 303 R CA 0.013 56.245 56.100 0.221 0.000 1.119 303 R CB 0.249 30.456 30.300 -0.156 0.000 1.403 303 R HN 0.166 nan 8.270 nan 0.000 0.576 304 G N 1.307 110.260 108.800 0.255 0.000 2.225 304 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.267 304 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.267 304 G C 0.311 175.327 174.900 0.194 0.000 1.024 304 G CA 0.627 45.863 45.100 0.225 0.000 0.784 304 G HN 0.660 nan 8.290 nan 0.000 0.507 305 H N -0.865 118.255 119.070 0.083 0.000 2.551 305 H HA 0.258 4.814 4.556 0.000 0.000 0.271 305 H C 1.974 177.307 175.328 0.007 0.000 0.984 305 H CA 0.869 56.973 56.048 0.093 0.000 1.164 305 H CB 0.762 30.672 29.762 0.246 0.000 1.437 305 H HN 0.496 nan 8.280 nan 0.000 0.550 306 G N 0.323 109.153 108.800 0.050 0.000 2.887 306 G HA2 0.554 4.514 3.960 -0.000 0.000 0.210 306 G HA3 0.554 4.514 3.960 -0.000 0.000 0.210 306 G C -0.748 174.089 174.900 -0.104 0.000 1.964 306 G CA 0.455 45.516 45.100 -0.066 0.000 0.738 306 G HN 0.284 nan 8.290 nan 0.000 0.790 307 A N -2.603 120.158 122.820 -0.099 0.000 2.574 307 A HA 0.704 5.024 4.320 -0.000 0.000 0.297 307 A C 0.200 177.820 177.584 0.061 0.000 1.062 307 A CA 0.433 52.426 52.037 -0.072 0.000 0.686 307 A CB 1.118 20.006 19.000 -0.187 0.000 1.285 307 A HN 2.178 nan 8.150 nan 0.000 0.403 308 G N -0.281 108.563 108.800 0.073 0.000 3.110 308 G HA2 0.561 4.521 3.960 -0.000 0.000 0.205 308 G HA3 0.561 4.521 3.960 -0.000 0.000 0.205 308 G C 1.595 176.555 174.900 0.100 0.000 1.019 308 G CA 1.225 46.392 45.100 0.113 0.000 0.826 308 G HN 2.996 nan 8.290 nan 0.000 0.481 309 G N -0.092 108.767 108.800 0.098 0.000 2.632 309 G HA2 0.292 4.252 3.960 -0.000 0.000 0.224 309 G HA3 0.292 4.252 3.960 -0.000 0.000 0.224 309 G C 1.011 175.999 174.900 0.147 0.000 1.341 309 G CA 1.314 46.489 45.100 0.125 0.000 0.880 309 G HN 1.826 nan 8.290 nan 0.000 0.566 310 A N -0.409 122.541 122.820 0.216 0.000 2.238 310 A HA 0.441 4.761 4.320 -0.000 0.000 0.208 310 A C 2.465 180.126 177.584 0.128 0.000 1.177 310 A CA 2.128 54.309 52.037 0.241 0.000 0.804 310 A CB -0.615 18.581 19.000 0.327 0.000 0.823 310 A HN 2.227 nan 8.150 nan 0.000 0.482 311 S N -0.226 115.455 115.700 -0.032 0.000 2.461 311 S HA 0.086 4.556 4.470 -0.000 0.000 0.228 311 S C 0.784 175.215 174.600 -0.281 0.000 1.005 311 S CA -0.114 57.794 58.200 -0.487 0.000 0.942 311 S CB -0.401 62.593 63.200 -0.343 0.000 0.776 311 S HN 0.277 nan 8.310 nan 0.000 0.514 312 I N 3.007 123.534 120.570 -0.071 0.000 2.741 312 I HA 0.097 4.267 4.170 -0.000 0.000 0.288 312 I C 0.307 176.430 176.117 0.011 0.000 1.192 312 I CA 0.037 61.340 61.300 0.006 0.000 1.426 312 I CB -0.436 37.620 38.000 0.093 0.000 1.367 312 I HN 0.339 nan 8.210 nan 0.000 0.563 313 L N 6.924 128.180 121.223 0.054 0.000 2.334 313 L HA 0.436 4.776 4.340 -0.000 0.000 0.277 313 L C 0.636 177.611 176.870 0.175 0.000 1.075 313 L CA -0.241 54.673 54.840 0.124 0.000 0.804 313 L CB 1.581 43.747 42.059 0.178 0.000 1.174 313 L HN 0.771 nan 8.230 nan 0.000 0.438 314 T N -1.828 112.681 114.554 -0.075 0.000 2.804 314 T HA 0.334 4.684 4.350 -0.000 0.000 0.290 314 T C 0.823 174.977 174.700 -0.910 0.000 1.099 314 T CA -0.647 61.132 62.100 -0.535 0.000 1.011 314 T CB 0.814 69.507 68.868 -0.291 0.000 1.291 314 T HN 0.427 nan 8.240 nan 0.000 0.523 315 F N -1.120 118.256 119.950 -0.958 0.000 2.307 315 F HA 0.106 4.633 4.527 -0.000 0.000 0.301 315 F C 1.702 177.415 175.800 -0.146 0.000 1.076 315 F CA 0.219 57.903 58.000 -0.528 0.000 1.383 315 F CB -1.088 37.640 39.000 -0.453 0.000 1.055 315 F HN 0.569 nan 8.300 nan 0.000 0.526 316 W N 1.559 122.409 121.300 -0.751 0.000 2.392 316 W HA -0.120 4.540 4.660 0.000 0.000 0.279 316 W C 0.805 177.254 176.519 -0.117 0.000 1.225 316 W CA 0.916 58.014 57.345 -0.413 0.000 1.233 316 W CB -0.213 28.934 29.460 -0.522 0.000 1.122 316 W HN 0.008 nan 8.180 nan 0.000 0.561 317 D N -0.082 120.387 120.400 0.116 0.000 3.058 317 D HA 0.247 4.886 4.640 -0.000 0.000 0.272 317 D C 1.530 177.972 176.300 0.238 0.000 1.350 317 D CA 0.333 54.422 54.000 0.150 0.000 0.863 317 D CB 0.038 40.904 40.800 0.110 0.000 1.064 317 D HN 0.024 nan 8.370 nan 0.000 0.488 318 A N 1.419 124.413 122.820 0.290 0.000 1.906 318 A HA -0.355 3.965 4.320 -0.000 0.000 0.222 318 A C 2.192 180.001 177.584 0.374 0.000 1.282 318 A CA 1.999 54.288 52.037 0.419 0.000 0.675 318 A CB -0.519 18.601 19.000 0.200 0.000 0.838 318 A HN 0.339 nan 8.150 nan 0.000 0.469 319 R N -0.675 119.956 120.500 0.218 0.000 2.080 319 R HA -0.077 4.262 4.340 -0.000 0.000 0.236 319 R C 2.149 178.559 176.300 0.183 0.000 1.137 319 R CA 1.887 58.096 56.100 0.182 0.000 0.943 319 R CB -0.387 29.982 30.300 0.114 0.000 0.846 319 R HN 0.575 nan 8.270 nan 0.000 0.431 320 L N -0.655 120.655 121.223 0.146 0.000 2.217 320 L HA -0.136 4.204 4.340 -0.000 0.000 0.211 320 L C 2.247 179.180 176.870 0.105 0.000 1.107 320 L CA 0.703 55.586 54.840 0.073 0.000 0.783 320 L CB -0.483 41.588 42.059 0.021 0.000 0.919 320 L HN 0.288 nan 8.230 nan 0.000 0.442 321 Y N 1.387 121.737 120.300 0.083 0.000 2.145 321 Y HA -0.254 4.296 4.550 -0.000 0.000 0.286 321 Y C 2.536 178.512 175.900 0.128 0.000 1.145 321 Y CA 1.538 59.701 58.100 0.105 0.000 1.148 321 Y CB -0.106 38.469 38.460 0.192 0.000 0.981 321 Y HN -0.023 nan 8.280 nan 0.000 0.507 322 K N -0.608 119.947 120.400 0.258 0.000 2.152 322 K HA -0.210 4.110 4.320 -0.000 0.000 0.206 322 K C 2.191 178.764 176.600 -0.045 0.000 1.048 322 K CA 1.760 58.186 56.287 0.231 0.000 0.933 322 K CB -0.201 32.585 32.500 0.476 0.000 0.721 322 K HN 0.401 nan 8.250 nan 0.000 0.447 323 M N -0.203 119.281 119.600 -0.194 0.000 2.156 323 M HA -0.115 4.365 4.480 -0.000 0.000 0.264 323 M C 2.393 178.456 176.300 -0.395 0.000 1.067 323 M CA 1.334 56.302 55.300 -0.554 0.000 1.131 323 M CB -0.236 32.170 32.600 -0.324 0.000 1.368 323 M HN 0.203 nan 8.290 nan 0.000 0.416 324 A N -0.175 122.467 122.820 -0.298 0.000 1.902 324 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 324 A C 2.145 179.615 177.584 -0.191 0.000 1.181 324 A CA 1.637 53.509 52.037 -0.276 0.000 0.623 324 A CB -0.995 17.866 19.000 -0.231 0.000 0.818 324 A HN 0.313 nan 8.150 nan 0.000 0.443 325 V N -0.098 119.654 119.914 -0.270 0.000 2.343 325 V HA -0.166 3.954 4.120 -0.000 0.000 0.247 325 V C 2.795 178.845 176.094 -0.073 0.000 1.051 325 V CA 1.906 64.081 62.300 -0.208 0.000 1.036 325 V CB -1.420 30.202 31.823 -0.334 0.000 0.654 325 V HN 0.619 nan 8.190 nan 0.000 0.451 326 G N -0.965 107.786 108.800 -0.082 0.000 2.418 326 G HA2 -0.302 3.657 3.960 -0.000 0.000 0.217 326 G HA3 -0.302 3.657 3.960 -0.000 0.000 0.217 326 G C 1.568 176.523 174.900 0.091 0.000 1.158 326 G CA 0.929 46.030 45.100 0.003 0.000 0.771 326 G HN 0.467 nan 8.290 nan 0.000 0.545 327 F N 0.959 120.869 119.950 -0.068 0.000 2.095 327 F HA -0.046 4.481 4.527 -0.000 0.000 0.298 327 F C 2.674 178.511 175.800 0.062 0.000 1.104 327 F CA 2.133 60.069 58.000 -0.108 0.000 1.232 327 F CB -0.114 38.498 39.000 -0.646 0.000 0.987 327 F HN 0.160 nan 8.300 nan 0.000 0.475 328 M N -0.099 119.596 119.600 0.159 0.000 2.080 328 M HA -0.234 4.246 4.480 -0.000 0.000 0.260 328 M C 1.977 178.353 176.300 0.128 0.000 1.068 328 M CA 1.954 57.403 55.300 0.249 0.000 1.109 328 M CB -0.452 32.299 32.600 0.252 0.000 1.342 328 M HN 0.295 nan 8.290 nan 0.000 0.405 329 L N -0.009 121.241 121.223 0.045 0.000 2.201 329 L HA -0.098 4.242 4.340 -0.000 0.000 0.212 329 L C 2.637 179.549 176.870 0.071 0.000 1.105 329 L CA 0.886 55.738 54.840 0.020 0.000 0.775 329 L CB -0.774 41.277 42.059 -0.014 0.000 0.913 329 L HN 0.429 nan 8.230 nan 0.000 0.440 330 A N -2.028 120.806 122.820 0.023 0.000 1.975 330 A HA -0.083 4.237 4.320 -0.000 0.000 0.215 330 A C 1.199 179.022 177.584 0.398 0.000 1.170 330 A CA 0.270 52.369 52.037 0.103 0.000 0.656 330 A CB -0.375 18.480 19.000 -0.242 0.000 0.821 330 A HN 0.286 nan 8.150 nan 0.000 0.449 331 H N 1.087 120.254 119.070 0.161 0.000 2.722 331 H HA 0.156 4.712 4.556 -0.000 0.000 0.328 331 H C -1.649 173.757 175.328 0.130 0.000 1.067 331 H CA -1.376 54.704 56.048 0.053 0.000 1.447 331 H CB 1.424 31.062 29.762 -0.205 0.000 1.469 331 H HN 0.128 nan 8.280 nan 0.000 0.544 332 P HA -0.163 nan 4.420 nan 0.000 0.225 332 P C 0.290 177.698 177.300 0.180 0.000 1.148 332 P CA 0.579 63.724 63.100 0.075 0.000 0.779 332 P CB -0.163 31.529 31.700 -0.014 0.000 0.780 333 Y N 2.360 122.852 120.300 0.320 0.000 2.620 333 Y HA 0.311 4.861 4.550 -0.000 0.000 0.330 333 Y C 1.285 177.225 175.900 0.067 0.000 1.186 333 Y CA 1.241 59.456 58.100 0.191 0.000 1.467 333 Y CB -0.346 38.220 38.460 0.176 0.000 1.262 333 Y HN 0.302 nan 8.280 nan 0.000 0.550 334 G N 4.687 113.073 108.800 -0.689 0.000 2.907 334 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.242 334 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.242 334 G C -1.192 173.605 174.900 -0.173 0.000 1.448 334 G CA -0.201 44.582 45.100 -0.528 0.000 0.911 334 G HN 0.930 nan 8.290 nan 0.000 0.553 335 F N 1.904 121.706 119.950 -0.248 0.000 2.410 335 F HA 0.620 5.147 4.527 -0.000 0.000 0.349 335 F C 1.260 176.946 175.800 -0.189 0.000 1.117 335 F CA 0.012 57.898 58.000 -0.189 0.000 1.104 335 F CB 1.301 40.201 39.000 -0.168 0.000 1.122 335 F HN 0.825 nan 8.300 nan 0.000 0.483 336 T N 4.177 118.242 114.554 -0.816 0.000 2.856 336 T HA 0.403 4.753 4.350 -0.000 0.000 0.292 336 T C -0.331 174.055 174.700 -0.524 0.000 0.980 336 T CA -0.870 60.897 62.100 -0.554 0.000 1.091 336 T CB 1.258 69.890 68.868 -0.392 0.000 0.936 336 T HN 0.795 nan 8.240 nan 0.000 0.503 337 R N 2.401 122.762 120.500 -0.233 0.000 2.439 337 R HA 0.575 4.915 4.340 -0.000 0.000 0.310 337 R C -1.501 174.793 176.300 -0.010 0.000 0.955 337 R CA -0.716 55.314 56.100 -0.117 0.000 0.853 337 R CB 1.402 31.640 30.300 -0.104 0.000 1.171 337 R HN 0.609 nan 8.270 nan 0.000 0.449 338 V N 5.653 125.585 119.914 0.030 0.000 2.439 338 V HA 0.288 4.408 4.120 -0.000 0.000 0.282 338 V C 0.324 176.488 176.094 0.117 0.000 1.039 338 V CA -0.651 61.704 62.300 0.092 0.000 0.913 338 V CB 1.403 33.325 31.823 0.164 0.000 0.983 338 V HN 0.794 nan 8.190 nan 0.000 0.460 339 M N 4.278 123.969 119.600 0.152 0.000 2.274 339 M HA 0.474 4.954 4.480 -0.000 0.000 0.344 339 M C -0.095 176.262 176.300 0.094 0.000 1.161 339 M CA 0.675 56.067 55.300 0.152 0.000 1.126 339 M CB 1.375 34.100 32.600 0.208 0.000 1.522 339 M HN 0.643 nan 8.290 nan 0.000 0.461 340 S N 2.632 118.354 115.700 0.036 0.000 2.733 340 S HA 0.805 5.275 4.470 -0.000 0.000 0.294 340 S C -1.238 173.436 174.600 0.122 0.000 1.149 340 S CA -0.620 57.605 58.200 0.041 0.000 1.034 340 S CB 0.596 63.737 63.200 -0.099 0.000 1.015 340 S HN 0.856 nan 8.310 nan 0.000 0.486 341 S N 3.032 118.793 115.700 0.102 0.000 2.823 341 S HA 0.814 5.284 4.470 -0.000 0.000 0.316 341 S C -1.322 173.380 174.600 0.171 0.000 1.116 341 S CA -0.819 57.465 58.200 0.139 0.000 0.911 341 S CB 0.554 63.760 63.200 0.010 0.000 1.276 341 S HN 0.803 nan 8.310 nan 0.000 0.565 342 Y N -0.712 119.665 120.300 0.129 0.000 2.524 342 Y HA 0.770 5.320 4.550 -0.000 0.000 0.344 342 Y C -0.238 175.656 175.900 -0.010 0.000 1.012 342 Y CA -1.368 56.673 58.100 -0.098 0.000 1.068 342 Y CB 0.815 39.034 38.460 -0.403 0.000 1.249 342 Y HN 0.591 nan 8.280 nan 0.000 0.468 343 R N 1.836 122.399 120.500 0.106 0.000 2.490 343 R HA 0.463 4.803 4.340 -0.000 0.000 0.278 343 R C -1.599 175.036 176.300 0.557 0.000 1.069 343 R CA -0.356 55.861 56.100 0.195 0.000 1.080 343 R CB 0.746 31.047 30.300 0.002 0.000 1.030 343 R HN 0.973 nan 8.270 nan 0.000 0.491 344 W N 3.442 124.997 121.300 0.425 0.000 3.083 344 W HA 0.469 5.128 4.660 -0.001 0.000 0.333 344 W C -2.623 174.057 176.519 0.268 0.000 1.217 344 W CA -2.248 55.273 57.345 0.293 0.000 1.170 344 W CB 0.596 30.224 29.460 0.280 0.000 1.437 344 W HN 0.374 nan 8.180 nan 0.000 0.557 345 P HA 0.108 nan 4.420 nan 0.000 0.249 345 P C -0.261 176.928 177.300 -0.184 0.000 1.737 345 P CA 0.062 63.147 63.100 -0.026 0.000 1.128 345 P CB 0.215 31.934 31.700 0.031 0.000 1.942 346 R N 2.342 122.480 120.500 -0.604 0.000 2.458 346 R HA 0.034 4.374 4.340 -0.000 0.000 0.303 346 R C 0.518 176.519 176.300 -0.499 0.000 1.013 346 R CA 0.530 56.193 56.100 -0.729 0.000 1.026 346 R CB 0.295 29.805 30.300 -1.317 0.000 0.948 346 R HN 0.503 nan 8.270 nan 0.000 0.417 347 Q N 4.225 123.802 119.800 -0.371 0.000 2.490 347 Q HA 0.208 4.547 4.340 -0.000 0.000 0.255 347 Q C -1.391 174.498 176.000 -0.184 0.000 0.997 347 Q CA -0.501 55.181 55.803 -0.202 0.000 0.709 347 Q CB 0.599 29.303 28.738 -0.056 0.000 1.255 347 Q HN 0.358 nan 8.270 nan 0.000 0.486 348 F N 2.181 122.107 119.950 -0.040 0.000 2.456 348 F HA 0.258 4.785 4.527 -0.001 0.000 0.358 348 F C 0.386 176.193 175.800 0.012 0.000 1.095 348 F CA 0.361 58.355 58.000 -0.010 0.000 1.216 348 F CB 1.038 40.013 39.000 -0.043 0.000 1.125 348 F HN 0.432 nan 8.300 nan 0.000 0.549 349 Q N 2.954 122.905 119.800 0.251 0.000 2.269 349 Q HA 0.261 4.601 4.340 -0.000 0.000 0.263 349 Q C -0.522 175.563 176.000 0.143 0.000 0.983 349 Q CA -0.833 55.063 55.803 0.156 0.000 0.777 349 Q CB 1.621 30.431 28.738 0.121 0.000 1.273 349 Q HN 0.620 nan 8.270 nan 0.000 0.440 350 N N 1.373 120.133 118.700 0.100 0.000 2.747 350 N HA -0.229 4.511 4.740 -0.000 0.000 0.249 350 N C 0.539 176.093 175.510 0.073 0.000 1.107 350 N CA 1.524 54.616 53.050 0.069 0.000 0.707 350 N CB -1.126 37.399 38.487 0.064 0.000 1.054 350 N HN 1.139 nan 8.380 nan 0.000 0.555 351 G N -1.616 107.233 108.800 0.083 0.000 2.176 351 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.253 351 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.253 351 G C -0.095 174.922 174.900 0.194 0.000 0.979 351 G CA 0.436 45.564 45.100 0.047 0.000 0.641 351 G HN 0.600 nan 8.290 nan 0.000 0.530 352 N N 0.085 118.981 118.700 0.326 0.000 2.238 352 N HA 0.495 5.235 4.740 -0.000 0.000 0.302 352 N C -1.584 174.143 175.510 0.363 0.000 1.072 352 N CA -0.729 52.553 53.050 0.387 0.000 0.792 352 N CB 1.688 40.307 38.487 0.220 0.000 1.425 352 N HN 0.108 nan 8.380 nan 0.000 0.478 353 D N 1.207 121.718 120.400 0.186 0.000 2.344 353 D HA 0.026 4.666 4.640 -0.000 0.000 0.253 353 D C 1.157 177.522 176.300 0.109 0.000 1.255 353 D CA -0.471 53.442 54.000 -0.145 0.000 0.894 353 D CB 0.792 41.401 40.800 -0.318 0.000 1.067 353 D HN 0.400 nan 8.370 nan 0.000 0.492 354 V N 1.892 121.879 119.914 0.122 0.000 3.141 354 V HA 0.006 4.125 4.120 -0.000 0.000 0.265 354 V C 0.743 177.044 176.094 0.345 0.000 1.126 354 V CA 0.879 63.325 62.300 0.243 0.000 1.141 354 V CB -0.439 31.512 31.823 0.213 0.000 0.743 354 V HN 0.380 nan 8.190 nan 0.000 0.492 355 N N 1.662 120.466 118.700 0.172 0.000 2.321 355 N HA 0.077 4.816 4.740 -0.000 0.000 0.242 355 N C 0.842 176.284 175.510 -0.114 0.000 1.141 355 N CA 0.736 53.743 53.050 -0.072 0.000 0.864 355 N CB 0.264 38.745 38.487 -0.011 0.000 1.100 355 N HN 0.797 nan 8.380 nan 0.000 0.510 356 D N -0.299 120.202 120.400 0.168 0.000 2.378 356 D HA -0.147 4.493 4.640 -0.000 0.000 0.222 356 D C 1.570 178.065 176.300 0.326 0.000 0.980 356 D CA 0.285 54.414 54.000 0.214 0.000 0.907 356 D CB -0.430 40.647 40.800 0.461 0.000 0.899 356 D HN 0.499 nan 8.370 nan 0.000 0.527 357 W N 0.771 122.316 121.300 0.408 0.000 2.812 357 W HA 0.268 4.927 4.660 -0.000 0.000 0.263 357 W C -0.169 176.463 176.519 0.190 0.000 1.284 357 W CA -0.592 56.984 57.345 0.386 0.000 1.430 357 W CB -0.721 28.963 29.460 0.373 0.000 1.088 357 W HN -0.308 nan 8.180 nan 0.000 0.623 358 V N 3.654 123.170 119.914 -0.663 0.000 2.644 358 V HA 0.055 4.174 4.120 -0.000 0.000 0.303 358 V C 1.488 177.594 176.094 0.021 0.000 1.058 358 V CA 1.084 63.042 62.300 -0.570 0.000 1.228 358 V CB -0.652 30.849 31.823 -0.536 0.000 0.861 358 V HN 0.186 nan 8.190 nan 0.000 0.484 359 G N 7.050 115.841 108.800 -0.015 0.000 2.588 359 G HA2 0.430 4.390 3.960 -0.000 0.000 0.278 359 G HA3 0.430 4.390 3.960 -0.000 0.000 0.278 359 G C -2.222 172.328 174.900 -0.584 0.000 1.307 359 G CA -0.974 44.075 45.100 -0.085 0.000 1.016 359 G HN 0.653 nan 8.290 nan 0.000 0.503 360 P HA 0.155 nan 4.420 nan 0.000 0.270 360 P C -2.654 174.072 177.300 -0.957 0.000 1.223 360 P CA -0.937 61.205 63.100 -1.597 0.000 0.785 360 P CB -0.095 31.063 31.700 -0.903 0.000 0.923 361 P HA 0.008 nan 4.420 nan 0.000 0.261 361 P C -0.288 176.802 177.300 -0.350 0.000 1.173 361 P CA 0.903 63.628 63.100 -0.626 0.000 0.760 361 P CB -0.177 31.006 31.700 -0.861 0.000 0.783 362 N N 1.030 119.617 118.700 -0.188 0.000 2.708 362 N HA 0.423 5.163 4.740 -0.000 0.000 0.257 362 N C -1.565 173.937 175.510 -0.014 0.000 1.373 362 N CA -0.966 52.038 53.050 -0.076 0.000 0.843 362 N CB 1.039 39.501 38.487 -0.041 0.000 1.503 362 N HN -0.027 nan 8.380 nan 0.000 0.504 363 N N 0.450 119.161 118.700 0.017 0.000 2.524 363 N HA 0.372 5.111 4.740 -0.000 0.000 0.261 363 N C -0.968 174.584 175.510 0.071 0.000 0.998 363 N CA -0.313 52.754 53.050 0.027 0.000 0.915 363 N CB 0.589 39.082 38.487 0.011 0.000 1.187 363 N HN 0.759 nan 8.380 nan 0.000 0.507 364 N N 2.565 121.323 118.700 0.096 0.000 2.725 364 N HA -0.229 4.511 4.740 -0.000 0.000 0.249 364 N C 0.708 176.433 175.510 0.358 0.000 1.103 364 N CA 1.648 54.797 53.050 0.164 0.000 0.707 364 N CB -1.114 37.428 38.487 0.093 0.000 1.043 364 N HN 0.964 nan 8.380 nan 0.000 0.553 365 G N -2.820 106.219 108.800 0.398 0.000 2.213 365 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.236 365 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.236 365 G C -0.028 174.885 174.900 0.021 0.000 0.991 365 G CA 0.228 45.441 45.100 0.189 0.000 0.629 365 G HN 0.694 nan 8.290 nan 0.000 0.517 366 V N 3.106 123.045 119.914 0.042 0.000 2.408 366 V HA 0.410 4.530 4.120 -0.000 0.000 0.267 366 V C 1.304 177.380 176.094 -0.028 0.000 1.047 366 V CA -0.628 61.667 62.300 -0.007 0.000 0.937 366 V CB 1.124 32.952 31.823 0.007 0.000 0.999 366 V HN 0.349 nan 8.190 nan 0.000 0.472 367 I N 5.096 125.630 120.570 -0.060 0.000 2.752 367 I HA -0.001 4.169 4.170 -0.000 0.000 0.289 367 I C 0.946 177.068 176.117 0.009 0.000 1.197 367 I CA 0.340 61.614 61.300 -0.044 0.000 1.432 367 I CB 0.107 38.083 38.000 -0.041 0.000 1.359 367 I HN 0.579 nan 8.210 nan 0.000 0.571 368 K N 6.119 126.552 120.400 0.054 0.000 2.295 368 K HA 0.171 4.490 4.320 -0.000 0.000 0.270 368 K C -0.068 176.625 176.600 0.155 0.000 1.011 368 K CA -0.447 55.897 56.287 0.094 0.000 0.953 368 K CB 0.551 33.093 32.500 0.070 0.000 0.956 368 K HN 0.500 nan 8.250 nan 0.000 0.477 369 E N 0.813 121.030 120.200 0.028 0.000 2.408 369 E HA 0.048 4.398 4.350 -0.000 0.000 0.259 369 E C -0.542 175.949 176.600 -0.181 0.000 1.110 369 E CA -0.434 55.900 56.400 -0.109 0.000 0.929 369 E CB 0.717 30.362 29.700 -0.091 0.000 0.971 369 E HN 0.128 nan 8.360 nan 0.000 0.438 370 V N 2.708 122.298 119.914 -0.540 0.000 2.408 370 V HA 0.106 4.226 4.120 -0.000 0.000 0.267 370 V C 0.380 176.272 176.094 -0.337 0.000 1.047 370 V CA -0.357 61.483 62.300 -0.766 0.000 0.937 370 V CB 0.487 31.431 31.823 -1.464 0.000 0.999 370 V HN 0.753 nan 8.190 nan 0.000 0.472 371 T N 3.997 118.460 114.554 -0.153 0.000 2.902 371 T HA 0.697 5.047 4.350 -0.000 0.000 0.283 371 T C -0.520 174.142 174.700 -0.063 0.000 1.009 371 T CA -0.763 61.290 62.100 -0.078 0.000 1.051 371 T CB 1.586 70.440 68.868 -0.022 0.000 0.999 371 T HN 0.217 nan 8.240 nan 0.000 0.474 372 I N 3.150 123.693 120.570 -0.046 0.000 2.354 372 I HA 0.372 4.542 4.170 -0.000 0.000 0.292 372 I C 0.205 176.316 176.117 -0.009 0.000 0.989 372 I CA -1.041 60.241 61.300 -0.030 0.000 1.188 372 I CB 1.203 39.188 38.000 -0.025 0.000 1.342 372 I HN 0.693 nan 8.210 nan 0.000 0.457 373 N N 8.220 126.919 118.700 -0.002 0.000 2.463 373 N HA 0.309 5.049 4.740 -0.000 0.000 0.270 373 N C -1.473 174.045 175.510 0.012 0.000 1.205 373 N CA -1.292 51.762 53.050 0.007 0.000 0.974 373 N CB 0.816 39.309 38.487 0.009 0.000 1.197 373 N HN 0.353 nan 8.380 nan 0.000 0.504 374 P HA -0.144 nan 4.420 nan 0.000 0.218 374 P C 0.217 177.532 177.300 0.025 0.000 1.148 374 P CA 1.336 64.448 63.100 0.020 0.000 0.822 374 P CB 0.161 31.870 31.700 0.015 0.000 0.784 375 D N -0.902 119.511 120.400 0.021 0.000 2.336 375 D HA -0.054 4.585 4.640 -0.000 0.000 0.229 375 D C 0.806 177.128 176.300 0.037 0.000 1.061 375 D CA 1.129 55.144 54.000 0.025 0.000 0.875 375 D CB -1.196 39.611 40.800 0.013 0.000 0.904 375 D HN 0.295 nan 8.370 nan 0.000 0.525 376 T N -4.448 110.127 114.554 0.035 0.000 5.975 376 T HA -0.265 4.085 4.350 -0.000 0.000 0.273 376 T C 0.510 175.203 174.700 -0.012 0.000 2.189 376 T CA 1.391 63.509 62.100 0.031 0.000 3.660 376 T CB -3.045 65.879 68.868 0.094 0.000 1.044 376 T HN 0.577 nan 8.240 nan 0.000 1.166 377 T N -1.073 113.486 114.554 0.009 0.000 2.770 377 T HA 0.675 5.024 4.350 -0.000 0.000 0.281 377 T C 0.828 175.534 174.700 0.010 0.000 0.981 377 T CA -0.273 61.842 62.100 0.025 0.000 0.955 377 T CB 1.309 70.201 68.868 0.040 0.000 1.060 377 T HN 0.625 nan 8.240 nan 0.000 0.531 378 c N 0.200 118.825 118.600 0.042 0.000 2.397 378 c HA 0.901 5.471 4.570 -0.000 0.000 0.343 378 c C 1.280 175.411 174.090 0.068 0.000 1.188 378 c CA -0.408 55.948 56.329 0.044 0.000 1.992 378 c CB 0.850 43.407 42.510 0.078 0.000 2.358 378 c HN 1.196 nan 8.230 nan 0.000 0.518 379 G N 0.278 109.117 108.800 0.065 0.000 2.938 379 G HA2 0.487 4.446 3.960 -0.000 0.000 0.258 379 G HA3 0.487 4.446 3.960 -0.000 0.000 0.258 379 G C -0.132 174.838 174.900 0.117 0.000 1.356 379 G CA -0.217 44.921 45.100 0.063 0.000 1.052 379 G HN 0.755 nan 8.290 nan 0.000 0.550 380 N N 0.250 118.983 118.700 0.055 0.000 2.741 380 N HA -0.148 4.592 4.740 -0.000 0.000 0.250 380 N C -0.051 175.357 175.510 -0.170 0.000 1.115 380 N CA 1.272 54.328 53.050 0.010 0.000 0.724 380 N CB -0.657 37.910 38.487 0.133 0.000 1.090 380 N HN 0.678 nan 8.380 nan 0.000 0.558 381 D N -4.007 116.322 120.400 -0.117 0.000 3.079 381 D HA -0.235 4.405 4.640 -0.000 0.000 0.214 381 D C -0.391 175.768 176.300 -0.234 0.000 1.145 381 D CA 1.107 54.998 54.000 -0.181 0.000 0.958 381 D CB -1.485 39.184 40.800 -0.217 0.000 1.117 381 D HN 0.548 nan 8.370 nan 0.000 0.416 382 W N 0.330 121.597 121.300 -0.054 0.000 2.322 382 W HA 0.367 5.027 4.660 0.000 0.000 0.307 382 W C 1.728 178.222 176.519 -0.043 0.000 1.220 382 W CA -0.923 56.401 57.345 -0.035 0.000 1.210 382 W CB 0.788 30.167 29.460 -0.135 0.000 1.223 382 W HN -0.284 nan 8.180 nan 0.000 0.511 383 V N 2.247 122.216 119.914 0.092 0.000 2.379 383 V HA -0.249 3.871 4.120 -0.000 0.000 0.245 383 V C 1.240 177.390 176.094 0.093 0.000 1.044 383 V CA 0.621 62.870 62.300 -0.084 0.000 1.036 383 V CB -0.932 30.513 31.823 -0.629 0.000 0.664 383 V HN 0.870 nan 8.190 nan 0.000 0.453 384 c N 1.086 119.785 118.600 0.165 0.000 4.056 384 c HA -0.155 4.415 4.570 -0.000 0.000 0.302 384 c C 1.669 175.643 174.090 -0.194 0.000 1.356 384 c CA 0.489 56.892 56.329 0.124 0.000 2.074 384 c CB -2.570 39.983 42.510 0.072 0.000 1.328 384 c HN 0.688 nan 8.230 nan 0.000 0.684 385 E N 0.462 120.429 120.200 -0.388 0.000 2.160 385 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 385 E C 1.959 178.303 176.600 -0.426 0.000 0.991 385 E CA 1.707 57.502 56.400 -1.008 0.000 0.810 385 E CB -0.173 29.110 29.700 -0.696 0.000 0.742 385 E HN 0.974 nan 8.360 nan 0.000 0.466 386 H N -0.046 118.933 119.070 -0.152 0.000 2.518 386 H HA 0.068 4.624 4.556 -0.000 0.000 0.289 386 H C 1.437 176.902 175.328 0.228 0.000 1.051 386 H CA 1.019 57.122 56.048 0.093 0.000 1.280 386 H CB -0.035 29.703 29.762 -0.041 0.000 1.380 386 H HN 0.083 nan 8.280 nan 0.000 0.566 387 R N -0.700 119.564 120.500 -0.393 0.000 2.290 387 R HA 0.046 4.386 4.340 -0.000 0.000 0.197 387 R C -0.106 176.342 176.300 0.246 0.000 0.913 387 R CA -0.367 55.613 56.100 -0.201 0.000 1.040 387 R CB 0.228 30.218 30.300 -0.517 0.000 0.992 387 R HN 0.111 nan 8.270 nan 0.000 0.500 388 W N 2.020 123.352 121.300 0.052 0.000 2.322 388 W HA 0.059 4.719 4.660 -0.001 0.000 0.328 388 W C 1.542 178.142 176.519 0.134 0.000 1.395 388 W CA -0.726 56.677 57.345 0.097 0.000 1.267 388 W CB -0.049 29.491 29.460 0.133 0.000 1.259 388 W HN 0.106 nan 8.180 nan 0.000 0.560 389 R N 1.888 122.568 120.500 0.299 0.000 2.113 389 R HA -0.319 4.021 4.340 -0.000 0.000 0.244 389 R C 1.704 178.128 176.300 0.208 0.000 1.142 389 R CA 2.517 58.745 56.100 0.214 0.000 0.953 389 R CB 0.031 30.403 30.300 0.121 0.000 0.860 389 R HN 0.488 nan 8.270 nan 0.000 0.438 390 Q N 0.019 119.952 119.800 0.222 0.000 2.170 390 Q HA -0.089 4.250 4.340 -0.000 0.000 0.203 390 Q C 1.997 178.158 176.000 0.267 0.000 0.976 390 Q CA 1.725 57.651 55.803 0.205 0.000 0.858 390 Q CB -0.045 28.842 28.738 0.248 0.000 0.907 390 Q HN 0.483 nan 8.270 nan 0.000 0.433 391 I N -0.337 120.428 120.570 0.324 0.000 2.429 391 I HA -0.119 4.051 4.170 -0.000 0.000 0.247 391 I C 2.483 178.735 176.117 0.224 0.000 1.099 391 I CA 0.483 61.935 61.300 0.253 0.000 1.422 391 I CB -0.269 37.871 38.000 0.233 0.000 1.112 391 I HN 0.156 nan 8.210 nan 0.000 0.430 392 R N 1.659 122.339 120.500 0.300 0.000 2.091 392 R HA -0.186 4.154 4.340 -0.000 0.000 0.238 392 R C 1.687 178.076 176.300 0.148 0.000 1.136 392 R CA 1.820 58.104 56.100 0.307 0.000 0.959 392 R CB -0.418 30.149 30.300 0.444 0.000 0.856 392 R HN 0.328 nan 8.270 nan 0.000 0.437 393 N N 0.090 118.887 118.700 0.162 0.000 2.331 393 N HA -0.075 4.665 4.740 -0.000 0.000 0.180 393 N C 1.555 177.162 175.510 0.161 0.000 1.019 393 N CA 0.934 54.074 53.050 0.150 0.000 0.881 393 N CB -0.087 38.491 38.487 0.151 0.000 0.972 393 N HN 0.207 nan 8.380 nan 0.000 0.435 394 M N -0.136 119.540 119.600 0.126 0.000 2.349 394 M HA 0.052 4.531 4.480 -0.000 0.000 0.266 394 M C 1.794 178.129 176.300 0.058 0.000 1.076 394 M CA 0.417 55.776 55.300 0.097 0.000 1.126 394 M CB -0.552 32.083 32.600 0.058 0.000 1.392 394 M HN -0.110 nan 8.290 nan 0.000 0.440 395 V N 0.407 120.298 119.914 -0.038 0.000 2.427 395 V HA -0.226 3.893 4.120 -0.000 0.000 0.248 395 V C 2.312 178.297 176.094 -0.182 0.000 1.051 395 V CA 1.379 63.554 62.300 -0.208 0.000 1.048 395 V CB -0.427 31.071 31.823 -0.541 0.000 0.666 395 V HN 0.342 nan 8.190 nan 0.000 0.456 396 I N -0.892 119.606 120.570 -0.119 0.000 2.252 396 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 396 I C 2.325 178.345 176.117 -0.162 0.000 1.102 396 I CA 1.592 62.817 61.300 -0.125 0.000 1.385 396 I CB -0.438 37.530 38.000 -0.054 0.000 1.064 396 I HN 0.327 nan 8.210 nan 0.000 0.414 397 F N 2.080 121.885 119.950 -0.240 0.000 2.120 397 F HA -0.277 4.250 4.527 -0.000 0.000 0.300 397 F C 2.691 178.370 175.800 -0.201 0.000 1.095 397 F CA 1.794 59.620 58.000 -0.289 0.000 1.249 397 F CB -0.387 38.594 39.000 -0.030 0.000 0.995 397 F HN -0.141 nan 8.300 nan 0.000 0.480 398 R N 0.200 120.818 120.500 0.196 0.000 2.096 398 R HA -0.179 4.161 4.340 -0.000 0.000 0.235 398 R C 2.023 178.292 176.300 -0.052 0.000 1.127 398 R CA 1.715 57.877 56.100 0.103 0.000 0.968 398 R CB -0.328 29.989 30.300 0.029 0.000 0.861 398 R HN 0.303 nan 8.270 nan 0.000 0.440 399 N N -0.016 118.616 118.700 -0.113 0.000 2.106 399 N HA -0.131 4.609 4.740 -0.000 0.000 0.188 399 N C 1.778 177.199 175.510 -0.149 0.000 1.029 399 N CA 1.318 54.296 53.050 -0.121 0.000 0.848 399 N CB -0.403 38.007 38.487 -0.128 0.000 1.007 399 N HN 0.036 nan 8.380 nan 0.000 0.423 400 V N 1.167 120.930 119.914 -0.252 0.000 2.407 400 V HA -0.143 3.977 4.120 -0.000 0.000 0.248 400 V C 2.161 178.113 176.094 -0.237 0.000 1.055 400 V CA 1.586 63.716 62.300 -0.284 0.000 1.049 400 V CB -0.565 30.956 31.823 -0.504 0.000 0.662 400 V HN 0.312 nan 8.190 nan 0.000 0.455 401 V N -2.047 117.703 119.914 -0.274 0.000 3.647 401 V HA 0.222 4.342 4.120 -0.000 0.000 0.279 401 V C 0.711 176.768 176.094 -0.061 0.000 1.314 401 V CA -0.071 62.122 62.300 -0.179 0.000 1.125 401 V CB -0.475 31.210 31.823 -0.230 0.000 0.907 401 V HN 0.480 nan 8.190 nan 0.000 0.434 402 D N 1.646 122.013 120.400 -0.055 0.000 2.581 402 D HA 0.344 4.984 4.640 -0.000 0.000 0.238 402 D C 1.476 177.773 176.300 -0.004 0.000 1.145 402 D CA 2.156 56.147 54.000 -0.017 0.000 0.866 402 D CB 0.197 40.984 40.800 -0.022 0.000 1.151 402 D HN 0.633 nan 8.370 nan 0.000 0.500 403 G N 3.103 111.911 108.800 0.013 0.000 2.258 403 G HA2 -0.256 3.703 3.960 -0.000 0.000 0.233 403 G HA3 -0.256 3.703 3.960 -0.000 0.000 0.233 403 G C 0.224 175.142 174.900 0.029 0.000 1.006 403 G CA 0.017 45.127 45.100 0.017 0.000 0.620 403 G HN 0.595 nan 8.290 nan 0.000 0.511 404 Q N 1.847 121.667 119.800 0.033 0.000 2.352 404 Q HA 0.380 4.720 4.340 -0.000 0.000 0.260 404 Q C -1.936 174.113 176.000 0.083 0.000 0.976 404 Q CA -1.147 54.687 55.803 0.051 0.000 0.881 404 Q CB 1.237 30.001 28.738 0.045 0.000 1.235 404 Q HN 0.445 nan 8.270 nan 0.000 0.419 405 P HA 0.100 nan 4.420 nan 0.000 0.276 405 P C -0.668 176.739 177.300 0.178 0.000 1.244 405 P CA -0.462 62.711 63.100 0.121 0.000 0.801 405 P CB 0.492 32.252 31.700 0.101 0.000 1.006 406 F N 2.547 122.501 119.950 0.006 0.000 2.472 406 F HA 0.351 4.878 4.527 -0.000 0.000 0.364 406 F C 0.116 175.969 175.800 0.088 0.000 1.090 406 F CA 0.822 58.812 58.000 -0.018 0.000 1.188 406 F CB -0.004 38.878 39.000 -0.197 0.000 1.105 406 F HN 0.427 nan 8.300 nan 0.000 0.536 407 T N 1.841 116.248 114.554 -0.246 0.000 2.731 407 T HA 0.301 4.651 4.350 -0.000 0.000 0.300 407 T C -0.387 174.289 174.700 -0.040 0.000 1.283 407 T CA -1.174 60.849 62.100 -0.128 0.000 1.005 407 T CB 1.327 70.218 68.868 0.039 0.000 1.420 407 T HN 0.523 nan 8.240 nan 0.000 0.503 408 N N 0.530 119.278 118.700 0.079 0.000 2.727 408 N HA -0.130 4.610 4.740 -0.000 0.000 0.249 408 N C -0.424 175.249 175.510 0.272 0.000 1.048 408 N CA 0.657 53.825 53.050 0.196 0.000 0.714 408 N CB -0.751 37.884 38.487 0.246 0.000 0.959 408 N HN 0.741 nan 8.380 nan 0.000 0.544 409 W N 1.087 122.393 121.300 0.009 0.000 2.210 409 W HA 0.279 4.939 4.660 -0.000 0.000 0.330 409 W C -0.353 176.299 176.519 0.221 0.000 1.334 409 W CA 0.004 57.395 57.345 0.077 0.000 1.227 409 W CB 0.248 29.706 29.460 -0.003 0.000 1.178 409 W HN 0.222 nan 8.180 nan 0.000 0.560 410 Y N 5.083 124.980 120.300 -0.672 0.000 2.553 410 Y HA 0.445 4.995 4.550 -0.000 0.000 0.347 410 Y C -1.546 173.900 175.900 -0.757 0.000 1.019 410 Y CA -0.883 56.965 58.100 -0.420 0.000 1.032 410 Y CB 1.585 39.971 38.460 -0.123 0.000 1.284 410 Y HN 0.522 nan 8.280 nan 0.000 0.466 411 D N 1.577 121.057 120.400 -1.534 0.000 2.706 411 D HA 0.160 4.800 4.640 -0.000 0.000 0.225 411 D C -1.254 174.510 176.300 -0.894 0.000 1.241 411 D CA -0.765 52.660 54.000 -0.957 0.000 0.784 411 D CB 0.764 41.461 40.800 -0.171 0.000 1.521 411 D HN 0.476 nan 8.370 nan 0.000 0.461 412 N N 1.417 119.902 118.700 -0.358 0.000 2.314 412 N HA 0.185 4.925 4.740 -0.000 0.000 0.200 412 N C 1.408 176.959 175.510 0.068 0.000 1.135 412 N CA 0.374 53.428 53.050 0.007 0.000 0.835 412 N CB 0.268 38.939 38.487 0.307 0.000 0.989 412 N HN 1.094 nan 8.380 nan 0.000 0.478 413 G N -1.343 107.467 108.800 0.017 0.000 2.179 413 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.260 413 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.260 413 G C 0.419 175.349 174.900 0.049 0.000 0.977 413 G CA 0.718 45.860 45.100 0.071 0.000 0.641 413 G HN 0.648 nan 8.290 nan 0.000 0.533 414 S N -0.740 114.978 115.700 0.031 0.000 3.657 414 S HA 0.435 4.904 4.470 -0.000 0.000 0.183 414 S C 1.012 175.523 174.600 -0.148 0.000 0.995 414 S CA 0.807 58.997 58.200 -0.016 0.000 1.333 414 S CB 0.164 63.458 63.200 0.156 0.000 1.197 414 S HN 0.290 nan 8.310 nan 0.000 0.856 415 N N 0.637 119.223 118.700 -0.190 0.000 2.238 415 N HA 0.341 5.081 4.740 -0.000 0.000 0.235 415 N C -1.249 174.106 175.510 -0.257 0.000 1.209 415 N CA -0.101 52.794 53.050 -0.259 0.000 0.879 415 N CB 1.073 39.379 38.487 -0.302 0.000 1.136 415 N HN 0.306 nan 8.380 nan 0.000 0.517 416 Q N 1.349 121.029 119.800 -0.199 0.000 2.368 416 Q HA 0.517 4.857 4.340 -0.000 0.000 0.263 416 Q C -0.747 175.099 176.000 -0.256 0.000 1.009 416 Q CA -0.759 54.897 55.803 -0.245 0.000 0.818 416 Q CB 2.214 30.893 28.738 -0.099 0.000 1.239 416 Q HN 0.094 nan 8.270 nan 0.000 0.464 417 V N -1.282 118.434 119.914 -0.329 0.000 3.160 417 V HA 1.055 5.175 4.120 -0.000 0.000 0.310 417 V C -1.209 174.654 176.094 -0.385 0.000 1.181 417 V CA -0.887 61.147 62.300 -0.443 0.000 1.047 417 V CB 1.949 33.445 31.823 -0.545 0.000 1.068 417 V HN 0.783 nan 8.190 nan 0.000 0.441 418 A N 1.523 124.025 122.820 -0.530 0.000 2.608 418 A HA 1.013 5.333 4.320 -0.000 0.000 0.292 418 A C -1.249 176.087 177.584 -0.413 0.000 1.066 418 A CA -0.148 51.570 52.037 -0.531 0.000 0.676 418 A CB 1.702 20.383 19.000 -0.532 0.000 1.277 418 A HN 2.460 nan 8.150 nan 0.000 0.413 419 F N -1.226 118.356 119.950 -0.614 0.000 2.770 419 F HA 0.843 5.370 4.527 -0.000 0.000 0.313 419 F C -0.096 175.523 175.800 -0.302 0.000 1.154 419 F CA -0.326 57.503 58.000 -0.285 0.000 0.923 419 F CB 0.720 39.716 39.000 -0.006 0.000 1.301 419 F HN 1.189 nan 8.300 nan 0.000 0.449 420 G N 0.507 109.519 108.800 0.353 0.000 2.685 420 G HA2 0.688 4.648 3.960 -0.000 0.000 0.298 420 G HA3 0.688 4.648 3.960 -0.000 0.000 0.298 420 G C -1.601 173.534 174.900 0.392 0.000 1.277 420 G CA -1.316 44.033 45.100 0.415 0.000 0.986 420 G HN 0.593 nan 8.290 nan 0.000 0.487 421 R N 0.331 121.014 120.500 0.305 0.000 2.352 421 R HA 0.485 4.825 4.340 -0.000 0.000 0.304 421 R C 0.886 177.264 176.300 0.131 0.000 1.104 421 R CA 0.016 56.254 56.100 0.231 0.000 0.991 421 R CB 0.371 30.806 30.300 0.225 0.000 1.140 421 R HN 1.265 nan 8.270 nan 0.000 0.540 422 G N 3.743 112.612 108.800 0.116 0.000 2.634 422 G HA2 -0.442 3.518 3.960 -0.000 0.000 0.309 422 G HA3 -0.442 3.518 3.960 -0.000 0.000 0.309 422 G C 0.315 175.255 174.900 0.066 0.000 1.265 422 G CA 0.696 45.842 45.100 0.077 0.000 0.998 422 G HN 0.797 nan 8.290 nan 0.000 0.551 423 N N -0.118 118.608 118.700 0.043 0.000 2.275 423 N HA 0.321 5.061 4.740 -0.000 0.000 0.236 423 N C 1.409 176.936 175.510 0.028 0.000 1.154 423 N CA -0.399 52.671 53.050 0.033 0.000 0.866 423 N CB 0.413 38.919 38.487 0.031 0.000 1.093 423 N HN 0.376 nan 8.380 nan 0.000 0.515 424 R N 0.136 120.644 120.500 0.012 0.000 2.279 424 R HA 0.279 4.619 4.340 -0.000 0.000 0.195 424 R C 0.440 176.693 176.300 -0.078 0.000 0.905 424 R CA 0.371 56.458 56.100 -0.023 0.000 1.044 424 R CB 1.275 31.538 30.300 -0.062 0.000 1.056 424 R HN 0.289 nan 8.270 nan 0.000 0.535 425 G N 0.330 109.096 108.800 -0.056 0.000 2.673 425 G HA2 0.511 4.470 3.960 -0.000 0.000 0.292 425 G HA3 0.511 4.470 3.960 -0.000 0.000 0.292 425 G C -2.060 172.994 174.900 0.257 0.000 1.450 425 G CA -0.416 44.646 45.100 -0.062 0.000 0.837 425 G HN -0.007 nan 8.290 nan 0.000 0.505 426 F N 0.544 120.586 119.950 0.152 0.000 2.596 426 F HA 0.795 5.322 4.527 -0.000 0.000 0.311 426 F C -1.188 174.569 175.800 -0.072 0.000 1.116 426 F CA -1.038 56.970 58.000 0.013 0.000 0.957 426 F CB 2.038 40.998 39.000 -0.067 0.000 1.250 426 F HN 0.517 nan 8.300 nan 0.000 0.444 427 I N 5.646 125.627 120.570 -0.981 0.000 2.686 427 I HA 0.740 4.910 4.170 -0.000 0.000 0.295 427 I C -1.794 173.588 176.117 -1.225 0.000 1.114 427 I CA -0.751 59.966 61.300 -0.972 0.000 1.038 427 I CB 1.938 39.352 38.000 -0.976 0.000 1.238 427 I HN 0.375 nan 8.210 nan 0.000 0.420 428 V N 7.039 126.335 119.914 -1.030 0.000 2.588 428 V HA 0.529 4.649 4.120 -0.000 0.000 0.304 428 V C -1.007 174.618 176.094 -0.781 0.000 1.042 428 V CA -0.496 61.274 62.300 -0.883 0.000 0.877 428 V CB 1.727 33.026 31.823 -0.875 0.000 0.996 428 V HN 0.470 nan 8.190 nan 0.000 0.425 429 F N 2.577 122.258 119.950 -0.449 0.000 2.532 429 F HA 0.589 5.115 4.527 -0.000 0.000 0.321 429 F C 0.152 175.704 175.800 -0.414 0.000 1.089 429 F CA -0.660 57.151 58.000 -0.315 0.000 0.926 429 F CB 1.970 40.796 39.000 -0.290 0.000 1.168 429 F HN 0.477 nan 8.300 nan 0.000 0.459 430 N N 1.807 120.449 118.700 -0.097 0.000 2.573 430 N HA 0.196 4.936 4.740 -0.000 0.000 0.262 430 N C -0.934 174.494 175.510 -0.137 0.000 1.029 430 N CA -0.284 52.662 53.050 -0.173 0.000 0.882 430 N CB 0.575 39.005 38.487 -0.096 0.000 1.204 430 N HN 0.564 nan 8.380 nan 0.000 0.519 431 N N 1.931 120.506 118.700 -0.209 0.000 2.275 431 N HA 0.179 4.919 4.740 -0.000 0.000 0.236 431 N C -1.094 174.237 175.510 -0.297 0.000 1.154 431 N CA -0.192 52.730 53.050 -0.213 0.000 0.866 431 N CB 0.345 38.699 38.487 -0.223 0.000 1.093 431 N HN 0.496 nan 8.380 nan 0.000 0.515 432 D N -0.503 119.629 120.400 -0.447 0.000 2.332 432 D HA 0.142 4.782 4.640 -0.000 0.000 0.252 432 D C -0.083 175.873 176.300 -0.574 0.000 1.050 432 D CA -0.182 53.366 54.000 -0.754 0.000 0.970 432 D CB 1.006 40.880 40.800 -1.544 0.000 1.141 432 D HN 0.103 nan 8.370 nan 0.000 0.485 433 D N 0.789 120.912 120.400 -0.462 0.000 2.344 433 D HA 0.095 4.734 4.640 -0.000 0.000 0.242 433 D C 0.052 176.428 176.300 0.126 0.000 1.159 433 D CA 0.092 54.043 54.000 -0.082 0.000 0.859 433 D CB -0.069 40.770 40.800 0.064 0.000 0.925 433 D HN 0.327 nan 8.370 nan 0.000 0.510 434 W N -0.953 120.383 121.300 0.060 0.000 3.062 434 W HA 0.545 5.205 4.660 -0.000 0.000 0.336 434 W C -0.409 176.168 176.519 0.096 0.000 1.224 434 W CA -1.076 56.310 57.345 0.069 0.000 1.159 434 W CB 0.043 29.542 29.460 0.065 0.000 1.454 434 W HN -0.424 nan 8.180 nan 0.000 0.569 435 S N 1.277 117.202 115.700 0.375 0.000 2.579 435 S HA 0.362 4.832 4.470 -0.000 0.000 0.275 435 S C -1.191 173.637 174.600 0.380 0.000 1.345 435 S CA -0.224 58.145 58.200 0.282 0.000 1.031 435 S CB 0.317 63.641 63.200 0.207 0.000 0.892 435 S HN 0.409 nan 8.310 nan 0.000 0.529 436 F N 2.087 122.114 119.950 0.129 0.000 2.460 436 F HA 0.539 5.066 4.527 -0.000 0.000 0.341 436 F C -0.146 175.696 175.800 0.070 0.000 1.130 436 F CA -0.371 57.697 58.000 0.115 0.000 0.962 436 F CB 1.239 40.271 39.000 0.053 0.000 1.171 436 F HN 0.427 nan 8.300 nan 0.000 0.436 437 S N 7.738 123.130 115.700 -0.513 0.000 2.775 437 S HA 0.780 5.249 4.470 -0.000 0.000 0.277 437 S C -1.897 172.346 174.600 -0.596 0.000 1.156 437 S CA -0.434 57.503 58.200 -0.439 0.000 1.081 437 S CB 0.496 63.665 63.200 -0.051 0.000 1.054 437 S HN 0.789 nan 8.310 nan 0.000 0.482 438 L N 3.535 124.219 121.223 -0.899 0.000 2.710 438 L HA 0.616 4.956 4.340 -0.000 0.000 0.260 438 L C -0.793 175.843 176.870 -0.390 0.000 0.993 438 L CA -0.037 54.468 54.840 -0.559 0.000 0.877 438 L CB 2.109 43.767 42.059 -0.669 0.000 1.461 438 L HN 0.496 nan 8.230 nan 0.000 0.413 439 T N 3.772 118.286 114.554 -0.067 0.000 2.743 439 T HA 0.698 5.048 4.350 -0.000 0.000 0.293 439 T C -0.713 173.994 174.700 0.012 0.000 0.945 439 T CA -0.082 62.049 62.100 0.051 0.000 1.030 439 T CB 0.396 69.327 68.868 0.106 0.000 0.912 439 T HN 0.282 nan 8.240 nan 0.000 0.483 440 L N 2.902 124.185 121.223 0.100 0.000 2.341 440 L HA 0.540 4.880 4.340 -0.000 0.000 0.267 440 L C 0.020 176.868 176.870 -0.037 0.000 1.009 440 L CA -0.991 53.876 54.840 0.046 0.000 0.819 440 L CB 1.706 43.844 42.059 0.132 0.000 1.323 440 L HN 0.448 nan 8.230 nan 0.000 0.425 441 Q N 0.026 119.784 119.800 -0.070 0.000 2.307 441 Q HA 0.253 4.593 4.340 -0.000 0.000 0.259 441 Q C 0.730 176.472 176.000 -0.430 0.000 0.998 441 Q CA 0.600 56.317 55.803 -0.143 0.000 0.923 441 Q CB 1.100 29.818 28.738 -0.033 0.000 1.196 441 Q HN 0.769 nan 8.270 nan 0.000 0.416 442 T N 0.428 114.618 114.554 -0.606 0.000 3.044 442 T HA 0.244 4.594 4.350 -0.000 0.000 0.255 442 T C 1.312 175.748 174.700 -0.440 0.000 1.073 442 T CA 0.518 61.964 62.100 -1.090 0.000 1.125 442 T CB -0.130 68.195 68.868 -0.905 0.000 0.908 442 T HN 1.042 nan 8.240 nan 0.000 0.480 443 G N 1.023 109.695 108.800 -0.214 0.000 2.184 443 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.264 443 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.264 443 G C -0.218 174.647 174.900 -0.057 0.000 0.975 443 G CA 0.301 45.357 45.100 -0.074 0.000 0.642 443 G HN 0.579 nan 8.290 nan 0.000 0.536 444 L N 1.855 123.009 121.223 -0.114 0.000 2.375 444 L HA 0.634 4.973 4.340 -0.000 0.000 0.268 444 L C -1.323 175.553 176.870 0.011 0.000 1.058 444 L CA -2.392 52.403 54.840 -0.074 0.000 0.803 444 L CB 0.711 42.609 42.059 -0.267 0.000 1.212 444 L HN -0.030 nan 8.230 nan 0.000 0.451 445 P HA 0.204 nan 4.420 nan 0.000 0.274 445 P C -0.979 176.435 177.300 0.189 0.000 1.231 445 P CA -0.569 62.604 63.100 0.120 0.000 0.790 445 P CB 0.748 32.517 31.700 0.116 0.000 0.951 446 A N 1.633 124.523 122.820 0.116 0.000 2.555 446 A HA 0.475 4.795 4.320 -0.000 0.000 0.233 446 A C 0.872 178.529 177.584 0.122 0.000 1.060 446 A CA 1.190 53.298 52.037 0.119 0.000 0.759 446 A CB -1.095 17.941 19.000 0.060 0.000 0.995 446 A HN 0.935 nan 8.150 nan 0.000 0.506 447 G N -0.326 108.554 108.800 0.134 0.000 2.362 447 G HA2 0.434 4.394 3.960 -0.000 0.000 0.288 447 G HA3 0.434 4.394 3.960 -0.000 0.000 0.288 447 G C -0.725 174.204 174.900 0.049 0.000 1.305 447 G CA -0.175 44.928 45.100 0.006 0.000 0.910 447 G HN 1.031 nan 8.290 nan 0.000 0.518 448 T N 0.930 115.424 114.554 -0.100 0.000 2.771 448 T HA 0.647 4.997 4.350 -0.000 0.000 0.281 448 T C -1.255 173.294 174.700 -0.252 0.000 0.982 448 T CA 0.115 62.181 62.100 -0.057 0.000 0.978 448 T CB 0.728 69.614 68.868 0.030 0.000 0.930 448 T HN 0.390 nan 8.240 nan 0.000 0.447 449 Y N 0.673 120.867 120.300 -0.177 0.000 2.393 449 Y HA 0.415 4.964 4.550 -0.000 0.000 0.341 449 Y C 0.417 176.208 175.900 -0.181 0.000 0.988 449 Y CA -1.165 56.844 58.100 -0.151 0.000 1.078 449 Y CB 1.002 39.395 38.460 -0.111 0.000 1.203 449 Y HN 0.580 nan 8.280 nan 0.000 0.453 450 c N 2.351 120.943 118.600 -0.012 0.000 2.514 450 c HA 0.150 4.719 4.570 -0.000 0.000 0.392 450 c C 0.400 174.461 174.090 -0.047 0.000 1.294 450 c CA -0.684 55.611 56.329 -0.057 0.000 1.957 450 c CB -0.509 41.961 42.510 -0.066 0.000 2.541 450 c HN 0.757 nan 8.230 nan 0.000 0.569 451 D N 1.758 122.123 120.400 -0.058 0.000 2.358 451 D HA 0.149 4.788 4.640 -0.000 0.000 0.258 451 D C 0.990 177.247 176.300 -0.071 0.000 1.223 451 D CA -0.279 53.684 54.000 -0.060 0.000 0.886 451 D CB 0.977 41.730 40.800 -0.078 0.000 1.120 451 D HN 0.444 nan 8.370 nan 0.000 0.482 452 V N 2.636 122.517 119.914 -0.054 0.000 3.573 452 V HA 0.012 4.132 4.120 -0.000 0.000 0.270 452 V C 1.426 177.484 176.094 -0.061 0.000 1.221 452 V CA 0.311 62.601 62.300 -0.018 0.000 1.163 452 V CB -0.658 31.216 31.823 0.085 0.000 0.847 452 V HN 0.503 nan 8.190 nan 0.000 0.468 453 I N 2.120 122.582 120.570 -0.180 0.000 2.512 453 I HA -0.006 4.164 4.170 -0.000 0.000 0.247 453 I C 2.723 178.717 176.117 -0.204 0.000 1.094 453 I CA 1.912 63.029 61.300 -0.305 0.000 1.427 453 I CB -1.175 36.384 38.000 -0.735 0.000 1.149 453 I HN 0.574 nan 8.210 nan 0.000 0.438 454 S N -0.162 115.430 115.700 -0.181 0.000 2.527 454 S HA 0.276 4.746 4.470 -0.000 0.000 0.222 454 S C 1.011 175.571 174.600 -0.067 0.000 0.985 454 S CA 0.411 58.542 58.200 -0.115 0.000 0.921 454 S CB -0.075 63.063 63.200 -0.103 0.000 0.772 454 S HN 0.459 nan 8.310 nan 0.000 0.529 455 G N -0.333 108.433 108.800 -0.058 0.000 2.664 455 G HA2 0.551 4.511 3.960 -0.000 0.000 0.303 455 G HA3 0.551 4.511 3.960 -0.000 0.000 0.303 455 G C -2.293 172.600 174.900 -0.012 0.000 1.243 455 G CA -0.607 44.475 45.100 -0.029 0.000 0.826 455 G HN 0.194 nan 8.290 nan 0.000 0.498 456 D N -0.441 119.956 120.400 -0.005 0.000 2.570 456 D HA 0.320 4.960 4.640 -0.000 0.000 0.244 456 D C -1.039 175.257 176.300 -0.006 0.000 1.178 456 D CA -0.565 53.439 54.000 0.007 0.000 0.881 456 D CB 2.849 43.665 40.800 0.026 0.000 1.453 456 D HN 0.409 nan 8.370 nan 0.000 0.447 457 K N 1.749 122.145 120.400 -0.006 0.000 2.262 457 K HA 0.514 4.834 4.320 -0.000 0.000 0.282 457 K C -1.024 175.573 176.600 -0.004 0.000 1.066 457 K CA -0.213 56.063 56.287 -0.017 0.000 0.901 457 K CB 0.292 32.775 32.500 -0.029 0.000 1.089 457 K HN 0.373 nan 8.250 nan 0.000 0.476 458 I N 3.818 124.384 120.570 -0.006 0.000 2.534 458 I HA 0.109 4.279 4.170 -0.000 0.000 0.288 458 I C -0.239 175.876 176.117 -0.003 0.000 1.077 458 I CA -0.955 60.345 61.300 0.001 0.000 1.051 458 I CB 1.775 39.779 38.000 0.007 0.000 1.234 458 I HN 0.804 nan 8.210 nan 0.000 0.425 459 N N 4.611 123.309 118.700 -0.003 0.000 2.735 459 N HA -0.196 4.544 4.740 -0.000 0.000 0.248 459 N C 0.762 176.266 175.510 -0.010 0.000 1.083 459 N CA 1.402 54.449 53.050 -0.005 0.000 0.703 459 N CB -0.718 37.768 38.487 -0.002 0.000 1.005 459 N HN 1.206 nan 8.380 nan 0.000 0.550 460 G N -1.848 106.942 108.800 -0.016 0.000 2.155 460 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.257 460 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.257 460 G C -0.148 174.736 174.900 -0.025 0.000 0.983 460 G CA 0.439 45.525 45.100 -0.024 0.000 0.676 460 G HN 0.699 nan 8.290 nan 0.000 0.528 461 N N -1.237 117.450 118.700 -0.021 0.000 2.455 461 N HA 0.570 5.310 4.740 -0.000 0.000 0.278 461 N C -0.520 174.976 175.510 -0.024 0.000 1.291 461 N CA -0.064 52.974 53.050 -0.020 0.000 0.780 461 N CB 1.609 40.090 38.487 -0.011 0.000 1.520 461 N HN 0.137 nan 8.380 nan 0.000 0.486 462 c N 0.423 119.007 118.600 -0.026 0.000 2.350 462 c HA 0.377 4.946 4.570 -0.000 0.000 0.348 462 c C 2.066 176.143 174.090 -0.021 0.000 1.260 462 c CA -0.521 55.789 56.329 -0.032 0.000 1.966 462 c CB 0.386 42.866 42.510 -0.050 0.000 2.380 462 c HN 0.844 nan 8.230 nan 0.000 0.535 463 T N -0.362 114.181 114.554 -0.018 0.000 3.067 463 T HA 0.250 4.600 4.350 -0.000 0.000 0.257 463 T C 0.898 175.587 174.700 -0.018 0.000 1.105 463 T CA 0.788 62.881 62.100 -0.012 0.000 1.104 463 T CB 0.131 68.995 68.868 -0.005 0.000 0.925 463 T HN 0.843 nan 8.240 nan 0.000 0.498 464 G N 0.800 109.583 108.800 -0.029 0.000 3.234 464 G HA2 0.654 4.614 3.960 -0.000 0.000 0.159 464 G HA3 0.654 4.614 3.960 -0.000 0.000 0.159 464 G C -0.597 174.276 174.900 -0.044 0.000 1.175 464 G CA -1.270 43.808 45.100 -0.036 0.000 0.900 464 G HN 0.403 nan 8.290 nan 0.000 0.621 465 I N 0.971 121.508 120.570 -0.056 0.000 2.752 465 I HA 0.123 4.293 4.170 -0.000 0.000 0.287 465 I C 0.181 176.234 176.117 -0.108 0.000 1.188 465 I CA 0.698 61.958 61.300 -0.067 0.000 1.427 465 I CB 0.628 38.592 38.000 -0.061 0.000 1.365 465 I HN 0.139 nan 8.210 nan 0.000 0.585 466 K N 6.210 126.510 120.400 -0.168 0.000 2.270 466 K HA 0.592 4.912 4.320 -0.000 0.000 0.255 466 K C -1.122 175.144 176.600 -0.558 0.000 0.936 466 K CA -0.791 55.299 56.287 -0.327 0.000 0.809 466 K CB 2.186 34.481 32.500 -0.342 0.000 1.131 466 K HN 0.329 nan 8.250 nan 0.000 0.427 467 I N 3.317 123.556 120.570 -0.551 0.000 2.433 467 I HA 0.264 4.434 4.170 -0.000 0.000 0.292 467 I C -0.823 174.943 176.117 -0.584 0.000 1.001 467 I CA -0.882 60.081 61.300 -0.563 0.000 1.119 467 I CB 1.053 38.836 38.000 -0.361 0.000 1.289 467 I HN 0.514 nan 8.210 nan 0.000 0.438 468 Y N 4.877 125.120 120.300 -0.096 0.000 2.369 468 Y HA 0.422 4.972 4.550 -0.000 0.000 0.337 468 Y C 0.295 176.164 175.900 -0.051 0.000 0.961 468 Y CA -0.927 57.151 58.100 -0.037 0.000 1.186 468 Y CB 1.285 39.715 38.460 -0.051 0.000 1.139 468 Y HN 0.177 nan 8.280 nan 0.000 0.494 469 V N 4.154 124.153 119.914 0.141 0.000 2.432 469 V HA 0.278 4.398 4.120 -0.000 0.000 0.275 469 V C 0.421 176.564 176.094 0.081 0.000 1.043 469 V CA -0.701 61.641 62.300 0.070 0.000 0.925 469 V CB 0.973 32.847 31.823 0.085 0.000 0.985 469 V HN 0.923 nan 8.190 nan 0.000 0.466 470 S N 2.946 118.667 115.700 0.034 0.000 2.640 470 S HA 0.155 4.625 4.470 -0.000 0.000 0.262 470 S C 0.771 175.384 174.600 0.021 0.000 1.232 470 S CA -0.400 57.815 58.200 0.024 0.000 0.988 470 S CB 0.575 63.778 63.200 0.006 0.000 1.034 470 S HN 0.671 nan 8.310 nan 0.000 0.569 471 D N 0.817 121.224 120.400 0.013 0.000 2.350 471 D HA -0.014 4.626 4.640 -0.000 0.000 0.216 471 D C 0.521 176.825 176.300 0.007 0.000 0.968 471 D CA 1.056 55.063 54.000 0.012 0.000 0.894 471 D CB -0.245 40.559 40.800 0.006 0.000 0.909 471 D HN 0.790 nan 8.370 nan 0.000 0.520 472 D N -1.405 118.996 120.400 0.001 0.000 2.670 472 D HA 0.191 4.831 4.640 -0.000 0.000 0.255 472 D C 1.258 177.549 176.300 -0.014 0.000 1.286 472 D CA -0.179 53.819 54.000 -0.003 0.000 0.830 472 D CB -0.081 40.720 40.800 0.000 0.000 1.065 472 D HN 0.079 nan 8.370 nan 0.000 0.486 473 G N 0.808 109.595 108.800 -0.021 0.000 2.175 473 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.265 473 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.265 473 G C 0.204 175.048 174.900 -0.093 0.000 0.979 473 G CA 0.528 45.596 45.100 -0.054 0.000 0.663 473 G HN 0.500 nan 8.290 nan 0.000 0.533 474 K N 0.286 120.650 120.400 -0.059 0.000 2.118 474 K HA 0.726 5.046 4.320 -0.000 0.000 0.264 474 K C 0.199 176.765 176.600 -0.056 0.000 1.000 474 K CA 0.238 56.491 56.287 -0.058 0.000 0.929 474 K CB 1.589 34.076 32.500 -0.022 0.000 1.021 474 K HN 0.743 nan 8.250 nan 0.000 0.463 475 A N 1.580 124.366 122.820 -0.056 0.000 2.547 475 A HA 0.287 4.607 4.320 -0.000 0.000 0.297 475 A C -1.829 175.643 177.584 -0.188 0.000 1.056 475 A CA -0.717 51.223 52.037 -0.161 0.000 0.688 475 A CB 0.925 19.721 19.000 -0.341 0.000 1.282 475 A HN 0.840 nan 8.150 nan 0.000 0.400 476 H N 0.563 119.451 119.070 -0.302 0.000 2.580 476 H HA 0.660 5.215 4.556 -0.000 0.000 0.322 476 H C -1.490 173.596 175.328 -0.404 0.000 1.082 476 H CA 0.230 56.151 56.048 -0.213 0.000 1.383 476 H CB 0.304 29.996 29.762 -0.116 0.000 1.450 476 H HN 0.414 nan 8.280 nan 0.000 0.505 477 F N 2.381 122.056 119.950 -0.460 0.000 2.507 477 F HA 0.409 4.936 4.527 -0.000 0.000 0.325 477 F C -0.153 175.464 175.800 -0.305 0.000 1.116 477 F CA -0.643 57.241 58.000 -0.194 0.000 0.930 477 F CB 2.091 41.147 39.000 0.093 0.000 1.146 477 F HN 0.404 nan 8.300 nan 0.000 0.447 478 S N 4.387 120.141 115.700 0.090 0.000 2.707 478 S HA 0.687 5.157 4.470 -0.000 0.000 0.312 478 S C -0.783 173.919 174.600 0.169 0.000 1.116 478 S CA -0.474 57.780 58.200 0.090 0.000 1.078 478 S CB 0.657 63.916 63.200 0.099 0.000 0.997 478 S HN 0.419 nan 8.310 nan 0.000 0.477 479 I N 2.286 122.997 120.570 0.234 0.000 2.468 479 I HA 0.330 4.500 4.170 -0.000 0.000 0.284 479 I C 0.166 176.379 176.117 0.161 0.000 1.038 479 I CA -0.477 60.932 61.300 0.182 0.000 1.083 479 I CB 1.950 40.053 38.000 0.171 0.000 1.223 479 I HN 0.498 nan 8.210 nan 0.000 0.443 480 S N 4.272 120.037 115.700 0.109 0.000 2.580 480 S HA 0.115 4.585 4.470 -0.000 0.000 0.274 480 S C 1.384 176.027 174.600 0.072 0.000 1.329 480 S CA -0.570 57.689 58.200 0.098 0.000 1.036 480 S CB 0.638 63.885 63.200 0.078 0.000 0.919 480 S HN 0.760 nan 8.310 nan 0.000 0.515 481 N N 2.254 120.991 118.700 0.062 0.000 2.512 481 N HA -0.094 4.646 4.740 -0.000 0.000 0.183 481 N C 1.051 176.580 175.510 0.031 0.000 1.073 481 N CA 1.012 54.075 53.050 0.022 0.000 0.911 481 N CB -0.402 38.086 38.487 0.001 0.000 0.964 481 N HN 0.536 nan 8.380 nan 0.000 0.447 482 S N -1.443 114.284 115.700 0.045 0.000 2.557 482 S HA 0.504 4.974 4.470 -0.000 0.000 0.223 482 S C 0.780 175.402 174.600 0.036 0.000 0.969 482 S CA -0.499 57.725 58.200 0.040 0.000 0.927 482 S CB 0.015 63.241 63.200 0.043 0.000 0.806 482 S HN 0.477 nan 8.310 nan 0.000 0.489 483 A N 1.710 124.554 122.820 0.039 0.000 2.445 483 A HA 0.396 4.716 4.320 -0.000 0.000 0.242 483 A C 1.365 178.967 177.584 0.029 0.000 1.075 483 A CA 0.012 52.067 52.037 0.031 0.000 0.777 483 A CB 0.015 19.033 19.000 0.031 0.000 1.013 483 A HN 0.386 nan 8.150 nan 0.000 0.493 484 E N 0.965 121.174 120.200 0.015 0.000 2.065 484 E HA -0.172 4.178 4.350 -0.000 0.000 0.201 484 E C -0.257 176.364 176.600 0.036 0.000 1.016 484 E CA 2.142 58.550 56.400 0.012 0.000 0.818 484 E CB 0.079 29.772 29.700 -0.011 0.000 0.749 484 E HN 0.675 nan 8.360 nan 0.000 0.453 485 D N 0.150 120.562 120.400 0.020 0.000 2.462 485 D HA 0.131 4.771 4.640 -0.000 0.000 0.245 485 D C -2.239 174.106 176.300 0.076 0.000 1.122 485 D CA -1.440 52.601 54.000 0.067 0.000 0.864 485 D CB 1.616 42.367 40.800 -0.083 0.000 1.098 485 D HN 0.179 nan 8.370 nan 0.000 0.541 486 P HA 0.052 nan 4.420 nan 0.000 0.269 486 P C -0.739 176.690 177.300 0.214 0.000 1.601 486 P CA -0.066 63.122 63.100 0.147 0.000 0.831 486 P CB -0.806 30.953 31.700 0.099 0.000 1.688 487 F N -1.476 118.384 119.950 -0.149 0.000 2.641 487 F HA 0.647 5.174 4.527 -0.000 0.000 0.308 487 F C -1.708 173.903 175.800 -0.314 0.000 1.105 487 F CA -2.138 55.653 58.000 -0.348 0.000 0.964 487 F CB 0.748 39.392 39.000 -0.594 0.000 1.294 487 F HN -0.311 nan 8.300 nan 0.000 0.442 488 I N 2.412 122.753 120.570 -0.381 0.000 2.608 488 I HA 0.823 4.993 4.170 -0.000 0.000 0.295 488 I C -0.801 175.117 176.117 -0.331 0.000 1.049 488 I CA -1.221 59.889 61.300 -0.317 0.000 1.063 488 I CB 2.115 40.096 38.000 -0.033 0.000 1.248 488 I HN 1.025 nan 8.210 nan 0.000 0.424 489 A N 7.288 129.971 122.820 -0.230 0.000 2.398 489 A HA 0.897 5.217 4.320 -0.000 0.000 0.301 489 A C -0.927 176.712 177.584 0.093 0.000 1.041 489 A CA -0.471 51.494 52.037 -0.120 0.000 0.711 489 A CB 1.371 20.227 19.000 -0.240 0.000 1.240 489 A HN 0.711 nan 8.150 nan 0.000 0.420 490 I N -0.016 120.691 120.570 0.229 0.000 2.828 490 I HA 0.945 5.115 4.170 -0.000 0.000 0.302 490 I C -0.637 175.585 176.117 0.175 0.000 1.101 490 I CA -0.968 60.409 61.300 0.128 0.000 1.031 490 I CB 2.429 40.458 38.000 0.048 0.000 1.231 490 I HN 0.959 nan 8.210 nan 0.000 0.427 491 H N 2.506 121.652 119.070 0.127 0.000 2.933 491 H HA 0.735 5.291 4.556 -0.000 0.000 0.310 491 H C 0.387 175.808 175.328 0.156 0.000 1.351 491 H CA -0.363 55.672 56.048 -0.021 0.000 1.137 491 H CB 1.096 30.672 29.762 -0.310 0.000 1.853 491 H HN 0.643 nan 8.280 nan 0.000 0.539 492 A N 0.029 123.029 122.820 0.300 0.000 1.986 492 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 492 A C 1.551 179.264 177.584 0.215 0.000 1.171 492 A CA 1.952 54.143 52.037 0.257 0.000 0.640 492 A CB -0.670 18.407 19.000 0.129 0.000 0.811 492 A HN 0.705 nan 8.150 nan 0.000 0.451 493 E N -0.124 120.305 120.200 0.382 0.000 2.478 493 E HA -0.017 4.332 4.350 -0.000 0.000 0.194 493 E C 1.637 178.287 176.600 0.083 0.000 1.045 493 E CA 0.903 57.446 56.400 0.238 0.000 0.868 493 E CB -0.055 29.804 29.700 0.264 0.000 0.885 493 E HN 0.739 nan 8.360 nan 0.000 0.505 494 S N -0.238 115.378 115.700 -0.140 0.000 2.557 494 S HA 0.136 4.606 4.470 -0.000 0.000 0.223 494 S C 0.752 175.276 174.600 -0.127 0.000 0.969 494 S CA -0.420 57.659 58.200 -0.201 0.000 0.927 494 S CB 0.193 63.142 63.200 -0.417 0.000 0.806 494 S HN -0.056 nan 8.310 nan 0.000 0.489 495 K N 1.241 121.539 120.400 -0.170 0.000 2.298 495 K HA 0.321 4.641 4.320 -0.000 0.000 0.280 495 K C -0.372 176.051 176.600 -0.295 0.000 1.032 495 K CA -0.642 55.353 56.287 -0.488 0.000 0.958 495 K CB 0.379 32.481 32.500 -0.664 0.000 0.978 495 K HN 0.136 nan 8.250 nan 0.000 0.472 496 L N 0.000 121.047 121.223 -0.294 0.000 2.949 496 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 496 L CA 0.000 54.740 54.840 -0.167 0.000 0.813 496 L CB 0.000 41.986 42.059 -0.122 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502