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 3ikl_1_A DATA FIRST_RESID 66 DATA SEQUENCE SEALLEICQR RHFLSGSKQQ LSRDSLLSGC HPGFGPLGVE LRKNLAAEWW DATA SEQUENCE TSVVVFREQV FPVDALHHKP GPLLPGDSAF RXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXGGRENL LHGALEHYVN CLDLVNKRLP YGLAQIGVCF DATA SEQUENCE HPVXXXXXXX XXXKSIGEKT EASLVWFTPP RTSNQWLDFW LRHRLQWWRK DATA SEQUENCE FAMSPSNFSS SDCQDEEGRK GNKLYYNFPW GKELIETLWN LGDHELLHMY DATA SEQUENCE PGNVSKLHGR DGRKNVVPCV LSVNGDLDRG MLAYLYDSFQ XXXXXXXXXX DATA SEQUENCE XXXRKVLKLH PCLAPIKVAL DVGRGPTLEL RQVCQGLFNE LLENGISVWP DATA SEQUENCE GYLETMQSSL EQLYSKYDEM SILFTVLVTE TTLENGLIHL RSRDTTMKEM DATA SEQUENCE MHISKLKDFL IKYISSAKNV 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 66 S HA 0.000 nan 4.470 nan 0.000 0.327 66 S C 0.000 174.679 174.600 0.131 0.000 1.055 66 S CA 0.000 58.276 58.200 0.128 0.000 1.107 66 S CB 0.000 63.253 63.200 0.088 0.000 0.593 67 E N 1.425 121.725 120.200 0.166 0.000 2.370 67 E HA 0.827 5.177 4.350 0.000 0.000 0.259 67 E C 0.375 177.052 176.600 0.129 0.000 0.947 67 E CA -0.273 56.227 56.400 0.166 0.000 0.809 67 E CB 1.235 31.075 29.700 0.234 0.000 1.300 67 E HN 0.341 nan 8.360 nan 0.000 0.419 68 A N 0.307 123.203 122.820 0.126 0.000 2.343 68 A HA 0.133 4.453 4.320 0.000 0.000 0.223 68 A C 1.772 179.357 177.584 0.002 0.000 1.214 68 A CA 0.333 52.408 52.037 0.064 0.000 0.900 68 A CB -0.452 18.583 19.000 0.059 0.000 0.942 68 A HN 0.473 nan 8.150 nan 0.000 0.507 69 L N -0.446 120.769 121.223 -0.012 0.000 2.085 69 L HA -0.227 4.113 4.340 0.000 0.000 0.218 69 L C 2.000 178.768 176.870 -0.170 0.000 1.080 69 L CA 1.979 56.675 54.840 -0.241 0.000 0.776 69 L CB -0.420 41.471 42.059 -0.280 0.000 0.891 69 L HN 0.344 nan 8.230 nan 0.000 0.437 70 L N -0.605 120.570 121.223 -0.080 0.000 2.265 70 L HA -0.179 4.161 4.340 0.000 0.000 0.215 70 L C 2.375 179.240 176.870 -0.007 0.000 1.117 70 L CA 1.537 56.365 54.840 -0.019 0.000 0.782 70 L CB -0.528 41.555 42.059 0.039 0.000 0.914 70 L HN 0.437 nan 8.230 nan 0.000 0.441 71 E N -0.757 119.430 120.200 -0.021 0.000 2.033 71 E HA -0.152 4.198 4.350 0.000 0.000 0.189 71 E C 2.087 178.673 176.600 -0.023 0.000 0.979 71 E CA 0.809 57.198 56.400 -0.018 0.000 0.802 71 E CB -0.112 29.579 29.700 -0.015 0.000 0.763 71 E HN 0.281 nan 8.360 nan 0.000 0.449 72 I N 1.604 122.145 120.570 -0.048 0.000 2.479 72 I HA -0.268 3.902 4.170 0.000 0.000 0.258 72 I C 2.117 178.259 176.117 0.041 0.000 1.165 72 I CA 0.999 62.273 61.300 -0.043 0.000 1.422 72 I CB -1.350 36.571 38.000 -0.130 0.000 1.087 72 I HN 0.246 nan 8.210 nan 0.000 0.441 73 C N -0.351 118.996 119.300 0.078 0.000 2.522 73 C HA -0.044 4.416 4.460 0.000 0.000 0.271 73 C C 2.605 177.666 174.990 0.119 0.000 1.425 73 C CA 0.232 59.388 59.018 0.230 0.000 1.751 73 C CB -1.013 26.836 27.740 0.182 0.000 1.775 73 C HN 0.581 nan 8.230 nan 0.000 0.557 74 Q N 0.274 120.076 119.800 0.003 0.000 2.481 74 Q HA 0.093 4.433 4.340 0.000 0.000 0.219 74 Q C 2.306 178.214 176.000 -0.154 0.000 0.920 74 Q CA -0.042 55.699 55.803 -0.104 0.000 0.915 74 Q CB -0.014 28.669 28.738 -0.092 0.000 1.057 74 Q HN 0.509 nan 8.270 nan 0.000 0.581 75 R N 0.037 120.497 120.500 -0.067 0.000 2.211 75 R HA -0.069 4.271 4.340 0.000 0.000 0.240 75 R C 0.951 177.263 176.300 0.019 0.000 1.144 75 R CA 0.938 57.023 56.100 -0.026 0.000 0.992 75 R CB 0.157 30.445 30.300 -0.021 0.000 0.869 75 R HN 0.061 nan 8.270 nan 0.000 0.462 76 R N -0.510 119.977 120.500 -0.023 0.000 2.565 76 R HA 0.105 4.445 4.340 0.000 0.000 0.347 76 R C -0.731 175.498 176.300 -0.119 0.000 1.010 76 R CA -0.261 55.783 56.100 -0.094 0.000 1.126 76 R CB -0.213 29.960 30.300 -0.211 0.000 1.331 76 R HN 0.226 nan 8.270 nan 0.000 0.552 77 H N -0.707 118.251 119.070 -0.185 0.000 2.794 77 H HA -0.166 4.390 4.556 0.000 0.000 0.334 77 H C 0.092 175.340 175.328 -0.135 0.000 1.154 77 H CA 0.400 56.377 56.048 -0.119 0.000 1.129 77 H CB -1.791 27.930 29.762 -0.069 0.000 1.600 77 H HN 0.119 nan 8.280 nan 0.000 0.410 78 F N -0.661 119.364 119.950 0.124 0.000 2.653 78 F HA 0.275 4.802 4.527 0.000 0.000 0.288 78 F C 0.961 176.889 175.800 0.213 0.000 1.121 78 F CA 0.290 58.394 58.000 0.174 0.000 1.384 78 F CB 0.710 39.793 39.000 0.139 0.000 1.115 78 F HN 0.179 nan 8.300 nan 0.000 0.599 79 L N -1.171 120.200 121.223 0.246 0.000 2.283 79 L HA 0.494 4.834 4.340 0.000 0.000 0.259 79 L C -0.151 176.698 176.870 -0.035 0.000 1.027 79 L CA -0.497 54.388 54.840 0.074 0.000 0.828 79 L CB 1.675 43.758 42.059 0.042 0.000 1.380 79 L HN -0.196 nan 8.230 nan 0.000 0.425 80 S N -0.698 114.955 115.700 -0.079 0.000 2.671 80 S HA 0.921 5.391 4.470 0.000 0.000 0.299 80 S C -0.485 174.067 174.600 -0.081 0.000 1.116 80 S CA 0.285 58.431 58.200 -0.090 0.000 0.912 80 S CB 1.912 65.078 63.200 -0.057 0.000 1.130 80 S HN 1.209 nan 8.310 nan 0.000 0.501 81 G N 1.599 110.358 108.800 -0.069 0.000 2.675 81 G HA2 -0.028 3.932 3.960 0.000 0.000 0.686 81 G HA3 -0.028 3.932 3.960 0.000 0.000 0.686 81 G C -0.319 174.554 174.900 -0.045 0.000 1.215 81 G CA -0.382 44.688 45.100 -0.049 0.000 0.777 81 G HN 1.134 nan 8.290 nan 0.000 0.638 82 S N 0.442 116.122 115.700 -0.033 0.000 2.598 82 S HA 0.207 4.677 4.470 0.000 0.000 0.256 82 S C 1.720 176.305 174.600 -0.025 0.000 1.350 82 S CA 0.375 58.558 58.200 -0.027 0.000 0.984 82 S CB 0.812 64.000 63.200 -0.020 0.000 0.930 82 S HN 0.760 nan 8.310 nan 0.000 0.577 83 K N 0.245 120.633 120.400 -0.021 0.000 2.360 83 K HA -0.180 4.140 4.320 0.000 0.000 0.201 83 K C 2.232 178.822 176.600 -0.017 0.000 1.046 83 K CA 1.028 57.304 56.287 -0.017 0.000 0.940 83 K CB -0.116 32.376 32.500 -0.013 0.000 0.748 83 K HN 0.459 nan 8.250 nan 0.000 0.465 84 Q N 1.576 121.366 119.800 -0.017 0.000 1.969 84 Q HA -0.166 4.174 4.340 0.000 0.000 0.198 84 Q C 1.881 177.869 176.000 -0.019 0.000 0.978 84 Q CA 1.819 57.611 55.803 -0.018 0.000 0.830 84 Q CB -0.227 28.502 28.738 -0.016 0.000 0.896 84 Q HN 0.304 nan 8.270 nan 0.000 0.431 85 Q N 0.218 120.008 119.800 -0.017 0.000 2.449 85 Q HA -0.148 4.192 4.340 0.000 0.000 0.214 85 Q C 1.324 177.317 176.000 -0.012 0.000 0.986 85 Q CA 1.008 56.804 55.803 -0.012 0.000 0.893 85 Q CB -0.464 28.268 28.738 -0.011 0.000 0.940 85 Q HN 0.438 nan 8.270 nan 0.000 0.477 86 L N 1.899 123.112 121.223 -0.017 0.000 2.693 86 L HA 0.078 4.418 4.340 0.000 0.000 0.242 86 L C 0.172 177.024 176.870 -0.030 0.000 1.157 86 L CA -0.349 54.482 54.840 -0.015 0.000 0.929 86 L CB -0.171 41.881 42.059 -0.011 0.000 1.103 86 L HN -0.001 nan 8.230 nan 0.000 0.430 87 S N 0.884 116.559 115.700 -0.041 0.000 2.507 87 S HA 0.042 4.512 4.470 0.000 0.000 0.299 87 S C 1.145 175.685 174.600 -0.100 0.000 1.214 87 S CA -0.600 57.560 58.200 -0.066 0.000 1.137 87 S CB 0.525 63.690 63.200 -0.059 0.000 1.009 87 S HN 0.398 nan 8.310 nan 0.000 0.512 88 R N 3.390 123.810 120.500 -0.133 0.000 2.292 88 R HA -0.260 4.080 4.340 0.000 0.000 0.268 88 R C 0.884 177.060 176.300 -0.207 0.000 1.150 88 R CA 2.245 58.221 56.100 -0.206 0.000 0.993 88 R CB -1.408 28.675 30.300 -0.363 0.000 0.901 88 R HN 0.489 nan 8.270 nan 0.000 0.470 89 D N 0.135 120.432 120.400 -0.172 0.000 2.127 89 D HA -0.161 4.479 4.640 0.000 0.000 0.206 89 D C 1.818 178.047 176.300 -0.118 0.000 0.989 89 D CA 1.807 55.727 54.000 -0.133 0.000 0.877 89 D CB -0.916 39.828 40.800 -0.094 0.000 1.042 89 D HN 0.140 nan 8.370 nan 0.000 0.455 90 S N -0.649 114.997 115.700 -0.090 0.000 2.461 90 S HA -0.285 4.185 4.470 0.000 0.000 0.266 90 S C 1.852 176.342 174.600 -0.182 0.000 1.138 90 S CA 1.597 59.752 58.200 -0.076 0.000 1.146 90 S CB -0.623 62.556 63.200 -0.035 0.000 1.042 90 S HN 0.215 nan 8.310 nan 0.000 0.448 91 L N 0.490 121.577 121.223 -0.226 0.000 1.950 91 L HA -0.046 4.294 4.340 0.000 0.000 0.210 91 L C 2.539 179.200 176.870 -0.347 0.000 1.079 91 L CA 1.421 56.017 54.840 -0.406 0.000 0.754 91 L CB -0.869 41.076 42.059 -0.190 0.000 0.889 91 L HN 0.293 nan 8.230 nan 0.000 0.433 92 L N 0.316 121.428 121.223 -0.186 0.000 1.991 92 L HA -0.296 4.044 4.340 0.000 0.000 0.221 92 L C 2.790 179.625 176.870 -0.058 0.000 1.079 92 L CA 2.258 57.038 54.840 -0.100 0.000 0.778 92 L CB -0.487 41.518 42.059 -0.090 0.000 0.893 92 L HN 0.538 nan 8.230 nan 0.000 0.437 93 S N -0.828 114.837 115.700 -0.060 0.000 2.595 93 S HA -0.007 4.463 4.470 0.000 0.000 0.235 93 S C 1.412 176.020 174.600 0.014 0.000 0.974 93 S CA 0.580 58.780 58.200 -0.000 0.000 0.942 93 S CB -0.189 63.012 63.200 0.001 0.000 0.766 93 S HN 0.716 nan 8.310 nan 0.000 0.536 94 G N 0.153 108.912 108.800 -0.069 0.000 2.143 94 G HA2 -0.285 3.675 3.960 0.000 0.000 0.248 94 G HA3 -0.285 3.675 3.960 0.000 0.000 0.248 94 G C 0.258 175.221 174.900 0.106 0.000 0.991 94 G CA 0.048 45.146 45.100 -0.004 0.000 0.689 94 G HN 0.853 nan 8.290 nan 0.000 0.522 95 C N 1.549 120.880 119.300 0.051 0.000 2.470 95 C HA 0.530 4.990 4.460 0.000 0.000 0.311 95 C C 1.045 176.119 174.990 0.141 0.000 1.387 95 C CA -0.636 58.443 59.018 0.102 0.000 1.783 95 C CB -2.148 25.624 27.740 0.054 0.000 2.416 95 C HN 0.727 nan 8.230 nan 0.000 0.558 96 H N -0.150 118.897 119.070 -0.039 0.000 2.495 96 H HA 0.397 4.953 4.556 0.000 0.000 0.350 96 H C -1.375 173.910 175.328 -0.072 0.000 1.202 96 H CA -1.755 54.246 56.048 -0.078 0.000 1.322 96 H CB 0.664 30.338 29.762 -0.147 0.000 1.544 96 H HN -0.064 nan 8.280 nan 0.000 0.565 97 P HA 0.095 nan 4.420 nan 0.000 0.233 97 P C 0.419 177.583 177.300 -0.227 0.000 1.167 97 P CA 1.140 64.172 63.100 -0.114 0.000 0.770 97 P CB 0.385 32.044 31.700 -0.069 0.000 0.837 98 G N -0.794 107.699 108.800 -0.512 0.000 2.355 98 G HA2 0.085 4.045 3.960 0.000 0.000 0.619 98 G HA3 0.085 4.045 3.960 0.000 0.000 0.619 98 G C -1.210 173.430 174.900 -0.433 0.000 1.337 98 G CA -1.102 43.709 45.100 -0.481 0.000 0.993 98 G HN 0.001 nan 8.290 nan 0.000 0.599 99 F N 0.465 120.350 119.950 -0.108 0.000 2.380 99 F HA 0.655 5.182 4.527 0.000 0.000 0.321 99 F C 1.437 177.266 175.800 0.049 0.000 1.103 99 F CA 0.443 58.453 58.000 0.016 0.000 1.067 99 F CB 1.311 40.355 39.000 0.073 0.000 1.265 99 F HN 0.712 nan 8.300 nan 0.000 0.517 100 G N 0.524 109.507 108.800 0.306 0.000 2.502 100 G HA2 0.390 4.350 3.960 0.000 0.000 0.305 100 G HA3 0.390 4.350 3.960 0.000 0.000 0.305 100 G C -2.195 172.846 174.900 0.236 0.000 1.190 100 G CA -1.508 43.736 45.100 0.241 0.000 0.933 100 G HN 0.355 nan 8.290 nan 0.000 0.503 101 P HA -0.209 nan 4.420 nan 0.000 0.221 101 P C 2.086 179.465 177.300 0.132 0.000 1.160 101 P CA 1.076 64.252 63.100 0.128 0.000 0.933 101 P CB 0.099 31.855 31.700 0.093 0.000 0.793 102 L N -0.956 120.333 121.223 0.110 0.000 1.990 102 L HA -0.156 4.184 4.340 0.000 0.000 0.213 102 L C 2.683 179.748 176.870 0.325 0.000 1.072 102 L CA 2.613 57.531 54.840 0.131 0.000 0.755 102 L CB -2.118 39.801 42.059 -0.234 0.000 0.889 102 L HN 0.043 nan 8.230 nan 0.000 0.432 103 G N -0.608 108.478 108.800 0.478 0.000 2.586 103 G HA2 -0.277 3.683 3.960 0.000 0.000 0.218 103 G HA3 -0.277 3.683 3.960 0.000 0.000 0.218 103 G C 1.638 176.559 174.900 0.035 0.000 1.216 103 G CA 1.655 46.980 45.100 0.375 0.000 0.786 103 G HN 0.257 nan 8.290 nan 0.000 0.583 104 V N 0.878 120.817 119.914 0.043 0.000 2.223 104 V HA -0.294 3.826 4.120 0.000 0.000 0.253 104 V C 2.812 178.884 176.094 -0.037 0.000 1.061 104 V CA 2.526 64.803 62.300 -0.038 0.000 1.035 104 V CB -0.686 31.163 31.823 0.042 0.000 0.653 104 V HN 0.335 nan 8.190 nan 0.000 0.454 105 E N -0.326 119.890 120.200 0.027 0.000 2.086 105 E HA -0.265 4.085 4.350 0.000 0.000 0.200 105 E C 2.071 178.668 176.600 -0.006 0.000 1.012 105 E CA 1.665 58.078 56.400 0.020 0.000 0.812 105 E CB -0.748 28.988 29.700 0.059 0.000 0.743 105 E HN 0.487 nan 8.360 nan 0.000 0.453 106 L N 1.284 122.520 121.223 0.022 0.000 2.079 106 L HA -0.175 4.165 4.340 0.000 0.000 0.210 106 L C 2.420 179.227 176.870 -0.105 0.000 1.081 106 L CA 1.904 56.725 54.840 -0.032 0.000 0.752 106 L CB -0.446 41.607 42.059 -0.010 0.000 0.896 106 L HN 0.026 nan 8.230 nan 0.000 0.433 107 R N -0.502 119.916 120.500 -0.136 0.000 2.062 107 R HA -0.161 4.179 4.340 0.000 0.000 0.229 107 R C 2.461 178.694 176.300 -0.112 0.000 1.128 107 R CA 1.440 57.444 56.100 -0.160 0.000 0.960 107 R CB -0.299 29.846 30.300 -0.260 0.000 0.855 107 R HN 0.363 nan 8.270 nan 0.000 0.432 108 K N 0.425 120.769 120.400 -0.093 0.000 2.044 108 K HA -0.196 4.124 4.320 0.000 0.000 0.210 108 K C 1.868 178.432 176.600 -0.060 0.000 1.049 108 K CA 1.750 57.995 56.287 -0.070 0.000 0.927 108 K CB -0.204 32.264 32.500 -0.052 0.000 0.713 108 K HN 0.247 nan 8.250 nan 0.000 0.443 109 N N 0.989 119.649 118.700 -0.068 0.000 2.039 109 N HA -0.186 4.554 4.740 0.000 0.000 0.193 109 N C 1.937 177.383 175.510 -0.106 0.000 1.044 109 N CA 1.289 54.290 53.050 -0.082 0.000 0.847 109 N CB -0.277 38.149 38.487 -0.101 0.000 1.030 109 N HN 0.128 nan 8.380 nan 0.000 0.422 110 L N 1.660 122.797 121.223 -0.144 0.000 1.978 110 L HA -0.200 4.140 4.340 0.000 0.000 0.218 110 L C 2.291 179.185 176.870 0.040 0.000 1.075 110 L CA 2.226 56.980 54.840 -0.143 0.000 0.767 110 L CB -1.307 40.667 42.059 -0.143 0.000 0.890 110 L HN 0.176 nan 8.230 nan 0.000 0.434 111 A N -0.292 122.538 122.820 0.016 0.000 1.859 111 A HA -0.286 4.034 4.320 0.000 0.000 0.218 111 A C 2.498 180.197 177.584 0.192 0.000 1.209 111 A CA 3.145 55.210 52.037 0.046 0.000 0.639 111 A CB -1.632 17.333 19.000 -0.058 0.000 0.835 111 A HN 0.738 nan 8.150 nan 0.000 0.450 112 A N -0.846 122.046 122.820 0.120 0.000 1.940 112 A HA -0.293 4.027 4.320 0.000 0.000 0.221 112 A C 1.923 179.673 177.584 0.276 0.000 1.190 112 A CA 2.572 54.715 52.037 0.176 0.000 0.647 112 A CB -0.687 18.359 19.000 0.077 0.000 0.821 112 A HN 0.590 nan 8.150 nan 0.000 0.457 113 E N -1.530 118.816 120.200 0.243 0.000 2.209 113 E HA -0.208 4.142 4.350 0.000 0.000 0.196 113 E C 1.548 178.471 176.600 0.539 0.000 0.993 113 E CA 1.381 57.982 56.400 0.335 0.000 0.819 113 E CB -0.326 29.506 29.700 0.220 0.000 0.745 113 E HN 0.824 nan 8.360 nan 0.000 0.477 114 W N -1.154 120.304 121.300 0.263 0.000 2.523 114 W HA -0.013 4.647 4.660 0.000 0.000 0.278 114 W C 1.849 178.315 176.519 -0.087 0.000 1.236 114 W CA 0.506 57.817 57.345 -0.058 0.000 1.306 114 W CB -0.228 29.102 29.460 -0.216 0.000 1.101 114 W HN 0.141 nan 8.180 nan 0.000 0.577 115 W N 1.149 122.633 121.300 0.307 0.000 2.436 115 W HA -0.114 4.546 4.660 0.000 0.000 0.284 115 W C 1.421 177.868 176.519 -0.119 0.000 1.225 115 W CA 2.092 59.526 57.345 0.149 0.000 1.271 115 W CB -0.403 29.147 29.460 0.151 0.000 1.114 115 W HN -0.180 nan 8.180 nan 0.000 0.559 116 T N -1.434 113.143 114.554 0.039 0.000 3.043 116 T HA -0.118 4.232 4.350 0.000 0.000 0.263 116 T C 1.762 176.035 174.700 -0.711 0.000 1.094 116 T CA 1.174 63.112 62.100 -0.269 0.000 1.127 116 T CB -0.173 68.702 68.868 0.011 0.000 0.905 116 T HN 0.027 nan 8.240 nan 0.000 0.490 117 S N 0.894 116.383 115.700 -0.351 0.000 2.558 117 S HA 0.121 4.591 4.470 0.000 0.000 0.217 117 S C 1.676 175.989 174.600 -0.478 0.000 0.975 117 S CA 0.471 58.487 58.200 -0.306 0.000 0.912 117 S CB -0.120 63.099 63.200 0.031 0.000 0.776 117 S HN 0.474 nan 8.310 nan 0.000 0.526 118 V N -2.478 117.017 119.914 -0.699 0.000 3.332 118 V HA 0.414 4.534 4.120 0.000 0.000 0.263 118 V C 1.234 176.907 176.094 -0.703 0.000 1.562 118 V CA 0.357 62.228 62.300 -0.715 0.000 1.040 118 V CB 0.416 31.589 31.823 -1.082 0.000 0.857 118 V HN 0.193 nan 8.190 nan 0.000 0.428 119 V N 0.250 119.642 119.914 -0.869 0.000 2.788 119 V HA 0.124 4.244 4.120 0.000 0.000 0.241 119 V C 2.295 178.045 176.094 -0.574 0.000 1.083 119 V CA 1.557 63.327 62.300 -0.883 0.000 1.103 119 V CB 0.854 31.651 31.823 -1.710 0.000 0.800 119 V HN 0.349 nan 8.190 nan 0.000 0.476 120 V N 0.796 120.373 119.914 -0.561 0.000 2.277 120 V HA -0.242 3.878 4.120 0.000 0.000 0.210 120 V C 1.998 177.992 176.094 -0.166 0.000 0.963 120 V CA 2.567 64.688 62.300 -0.299 0.000 1.031 120 V CB -1.000 30.629 31.823 -0.323 0.000 0.665 120 V HN 0.430 nan 8.190 nan 0.000 0.476 121 F N 1.658 121.580 119.950 -0.046 0.000 2.117 121 F HA -0.288 4.239 4.527 -0.000 0.000 0.297 121 F C 1.744 177.507 175.800 -0.063 0.000 1.185 121 F CA 1.706 59.684 58.000 -0.036 0.000 1.242 121 F CB -0.895 38.090 39.000 -0.026 0.000 0.931 121 F HN 0.271 nan 8.300 nan 0.000 0.540 122 R N 2.343 122.897 120.500 0.089 0.000 2.498 122 R HA 0.106 4.446 4.340 0.000 0.000 0.334 122 R C -0.777 175.448 176.300 -0.125 0.000 1.106 122 R CA 0.296 56.383 56.100 -0.021 0.000 0.995 122 R CB -0.093 30.169 30.300 -0.063 0.000 0.989 122 R HN 0.435 nan 8.270 nan 0.000 0.455 123 E N 3.283 123.424 120.200 -0.098 0.000 2.224 123 E HA 0.095 4.445 4.350 0.000 0.000 0.265 123 E C -1.021 175.459 176.600 -0.200 0.000 0.878 123 E CA -0.788 55.493 56.400 -0.197 0.000 0.759 123 E CB 1.332 30.949 29.700 -0.137 0.000 1.164 123 E HN 0.735 nan 8.360 nan 0.000 0.414 124 Q N 0.724 120.267 119.800 -0.428 0.000 1.875 124 Q HA 0.180 4.520 4.340 0.000 0.000 0.151 124 Q C -1.491 174.159 176.000 -0.583 0.000 0.575 124 Q CA -0.145 55.415 55.803 -0.404 0.000 0.916 124 Q CB -0.784 27.924 28.738 -0.050 0.000 1.326 124 Q HN 0.161 nan 8.270 nan 0.000 0.321 125 V N 1.582 120.886 119.914 -1.016 0.000 2.808 125 V HA 0.899 5.019 4.120 0.000 0.000 0.308 125 V C -1.505 174.056 176.094 -0.888 0.000 1.099 125 V CA -0.632 61.323 62.300 -0.575 0.000 0.920 125 V CB 1.682 33.364 31.823 -0.236 0.000 1.014 125 V HN 0.305 nan 8.190 nan 0.000 0.425 126 F N 4.823 124.856 119.950 0.138 0.000 2.629 126 F HA 0.697 5.224 4.527 -0.000 0.000 0.316 126 F C -2.433 173.462 175.800 0.158 0.000 1.081 126 F CA -2.748 55.325 58.000 0.120 0.000 0.954 126 F CB 1.599 40.675 39.000 0.126 0.000 1.337 126 F HN 0.239 nan 8.300 nan 0.000 0.474 127 P HA 0.177 nan 4.420 nan 0.000 0.271 127 P C -0.972 176.487 177.300 0.266 0.000 1.216 127 P CA 0.029 63.412 63.100 0.472 0.000 0.771 127 P CB 2.014 34.027 31.700 0.522 0.000 0.864 128 V N 2.031 122.069 119.914 0.207 0.000 2.735 128 V HA 0.445 4.565 4.120 0.000 0.000 0.310 128 V C -1.153 174.977 176.094 0.060 0.000 1.061 128 V CA -0.802 61.539 62.300 0.069 0.000 0.913 128 V CB 2.061 33.951 31.823 0.112 0.000 1.005 128 V HN 0.401 nan 8.190 nan 0.000 0.428 129 D N 5.121 125.523 120.400 0.003 0.000 2.485 129 D HA 0.641 5.281 4.640 0.000 0.000 0.229 129 D C -0.061 176.320 176.300 0.136 0.000 1.101 129 D CA 0.168 54.199 54.000 0.052 0.000 0.906 129 D CB 1.098 41.920 40.800 0.038 0.000 1.019 129 D HN 0.954 nan 8.370 nan 0.000 0.516 130 A N 4.684 127.563 122.820 0.098 0.000 2.260 130 A HA 0.488 4.808 4.320 0.000 0.000 0.308 130 A C 0.588 178.151 177.584 -0.035 0.000 1.254 130 A CA -0.696 51.394 52.037 0.088 0.000 0.874 130 A CB 0.240 19.283 19.000 0.072 0.000 1.153 130 A HN 0.662 nan 8.150 nan 0.000 0.527 131 L N 1.357 122.576 121.223 -0.007 0.000 2.456 131 L HA -0.095 4.245 4.340 0.000 0.000 0.291 131 L C 1.301 178.128 176.870 -0.073 0.000 1.299 131 L CA 0.429 55.258 54.840 -0.019 0.000 0.822 131 L CB -0.109 41.921 42.059 -0.048 0.000 1.070 131 L HN 0.927 nan 8.230 nan 0.000 0.576 132 H N -2.171 116.998 119.070 0.164 0.000 2.406 132 H HA 0.043 4.599 4.556 0.000 0.000 0.304 132 H C 0.511 176.010 175.328 0.284 0.000 1.042 132 H CA 0.618 56.812 56.048 0.243 0.000 1.360 132 H CB 0.198 30.171 29.762 0.352 0.000 1.448 132 H HN 0.598 nan 8.280 nan 0.000 0.553 133 H N 0.043 119.284 119.070 0.286 0.000 2.530 133 H HA 0.456 5.012 4.556 0.000 0.000 0.342 133 H C -0.520 174.892 175.328 0.140 0.000 1.312 133 H CA -0.886 55.285 56.048 0.204 0.000 1.376 133 H CB 1.385 31.241 29.762 0.157 0.000 1.692 133 H HN 0.036 nan 8.280 nan 0.000 0.622 134 K N 1.825 122.249 120.400 0.040 0.000 2.483 134 K HA 0.319 4.639 4.320 0.000 0.000 0.256 134 K C -2.502 174.126 176.600 0.046 0.000 0.961 134 K CA -1.753 54.514 56.287 -0.033 0.000 0.873 134 K CB 1.409 33.905 32.500 -0.006 0.000 1.107 134 K HN 0.533 nan 8.250 nan 0.000 0.432 135 P HA 0.310 nan 4.420 nan 0.000 0.312 135 P C 0.437 177.772 177.300 0.059 0.000 1.308 135 P CA 0.140 63.297 63.100 0.094 0.000 0.743 135 P CB 0.286 32.037 31.700 0.085 0.000 1.364 136 G N -0.228 108.608 108.800 0.060 0.000 2.594 136 G HA2 -0.185 3.775 3.960 0.000 0.000 0.297 136 G HA3 -0.185 3.775 3.960 0.000 0.000 0.297 136 G C -2.199 172.724 174.900 0.039 0.000 1.273 136 G CA 0.052 45.179 45.100 0.044 0.000 0.974 136 G HN 0.632 nan 8.290 nan 0.000 0.552 137 P HA 0.693 nan 4.420 nan 0.000 0.275 137 P C -0.035 177.276 177.300 0.019 0.000 1.270 137 P CA -0.252 62.863 63.100 0.025 0.000 0.791 137 P CB 0.369 32.083 31.700 0.024 0.000 1.089 138 L N -2.097 119.136 121.223 0.016 0.000 2.828 138 L HA 0.437 4.777 4.340 0.000 0.000 0.264 138 L C -1.085 175.790 176.870 0.007 0.000 1.106 138 L CA -0.969 53.875 54.840 0.006 0.000 0.955 138 L CB 0.387 42.454 42.059 0.014 0.000 1.558 138 L HN 0.163 nan 8.230 nan 0.000 0.386 139 L N -1.058 120.166 121.223 0.000 0.000 2.375 139 L HA 0.742 5.082 4.340 0.000 0.000 0.268 139 L C -2.135 174.736 176.870 0.001 0.000 1.058 139 L CA -1.358 53.484 54.840 0.002 0.000 0.803 139 L CB -0.674 41.384 42.059 -0.001 0.000 1.212 139 L HN 0.371 nan 8.230 nan 0.000 0.451 140 P HA 0.191 nan 4.420 nan 0.000 0.254 140 P C 0.537 177.835 177.300 -0.004 0.000 1.467 140 P CA 1.021 64.121 63.100 -0.000 0.000 1.281 140 P CB -0.243 31.456 31.700 -0.002 0.000 1.754 141 G N 3.151 111.950 108.800 -0.002 0.000 3.050 141 G HA2 -0.206 3.754 3.960 0.000 0.000 0.234 141 G HA3 -0.206 3.754 3.960 0.000 0.000 0.234 141 G C -0.758 174.129 174.900 -0.023 0.000 1.521 141 G CA 0.016 45.112 45.100 -0.007 0.000 1.090 141 G HN 0.552 nan 8.290 nan 0.000 0.556 142 D N 0.048 120.425 120.400 -0.037 0.000 10.273 142 D HA 0.021 4.661 4.640 0.000 0.000 0.320 142 D C 0.592 176.830 176.300 -0.104 0.000 2.823 142 D CA 1.328 55.292 54.000 -0.061 0.000 2.473 142 D CB -0.053 40.715 40.800 -0.054 0.000 1.080 142 D HN 0.856 nan 8.370 nan 0.000 0.847 143 S N 1.176 116.793 115.700 -0.138 0.000 3.944 143 S HA 0.403 4.873 4.470 0.000 0.000 0.215 143 S C 0.158 174.565 174.600 -0.321 0.000 1.220 143 S CA 0.147 58.198 58.200 -0.248 0.000 0.950 143 S CB -0.141 62.942 63.200 -0.195 0.000 1.615 143 S HN 0.570 nan 8.310 nan 0.000 0.466 144 A N 2.439 125.060 122.820 -0.332 0.000 2.414 144 A HA 0.865 5.185 4.320 0.000 0.000 0.306 144 A C -0.950 176.522 177.584 -0.185 0.000 1.054 144 A CA -0.591 51.311 52.037 -0.226 0.000 0.724 144 A CB 1.015 19.976 19.000 -0.065 0.000 1.267 144 A HN 0.366 nan 8.150 nan 0.000 0.418 145 F N 1.681 121.668 119.950 0.062 0.000 2.561 145 F HA 0.794 5.321 4.527 0.000 0.000 0.321 145 F C 0.888 176.719 175.800 0.053 0.000 1.065 145 F CA -0.644 57.385 58.000 0.048 0.000 0.934 145 F CB 1.229 40.253 39.000 0.040 0.000 1.215 145 F HN 0.780 nan 8.300 nan 0.000 0.471 181 G N 0.921 109.883 108.800 0.269 0.000 2.503 181 G HA2 0.494 4.454 3.960 0.000 0.000 0.257 181 G HA3 0.494 4.454 3.960 0.000 0.000 0.257 181 G C 0.579 175.704 174.900 0.375 0.000 1.214 181 G CA -0.341 45.008 45.100 0.415 0.000 0.839 181 G HN 0.785 nan 8.290 nan 0.000 0.559 182 R N 0.748 121.421 120.500 0.288 0.000 2.505 182 R HA -0.072 4.268 4.340 0.000 0.000 0.274 182 R C 0.558 176.896 176.300 0.063 0.000 0.955 182 R CA 0.679 56.838 56.100 0.099 0.000 1.109 182 R CB 0.523 30.825 30.300 0.002 0.000 0.890 182 R HN 0.540 nan 8.270 nan 0.000 0.415 183 E N 2.596 122.828 120.200 0.054 0.000 2.045 183 E HA -0.044 4.306 4.350 0.000 0.000 0.190 183 E C -0.396 176.263 176.600 0.098 0.000 0.968 183 E CA 1.478 57.936 56.400 0.095 0.000 0.813 183 E CB 0.242 29.959 29.700 0.029 0.000 0.780 183 E HN 0.875 nan 8.360 nan 0.000 0.455 184 N N -1.365 117.362 118.700 0.044 0.000 2.577 184 N HA 0.236 4.976 4.740 0.000 0.000 0.285 184 N C -0.045 175.481 175.510 0.026 0.000 1.309 184 N CA -0.612 52.466 53.050 0.047 0.000 0.798 184 N CB 0.523 39.034 38.487 0.039 0.000 1.463 184 N HN -0.001 nan 8.380 nan 0.000 0.518 185 L N 0.052 121.286 121.223 0.019 0.000 2.567 185 L HA 0.247 4.587 4.340 0.000 0.000 0.225 185 L C 1.601 178.494 176.870 0.039 0.000 1.119 185 L CA 0.133 54.979 54.840 0.011 0.000 0.871 185 L CB -0.165 41.888 42.059 -0.011 0.000 1.036 185 L HN 0.617 nan 8.230 nan 0.000 0.459 186 L N -0.448 120.803 121.223 0.046 0.000 2.005 186 L HA -0.290 4.050 4.340 0.000 0.000 0.207 186 L C 2.504 179.410 176.870 0.060 0.000 1.072 186 L CA 1.509 56.375 54.840 0.044 0.000 0.744 186 L CB -0.246 41.835 42.059 0.037 0.000 0.895 186 L HN 0.333 nan 8.230 nan 0.000 0.433 187 H N -0.316 118.744 119.070 -0.017 0.000 2.265 187 H HA -0.222 4.334 4.556 0.000 0.000 0.293 187 H C 1.953 177.265 175.328 -0.027 0.000 1.089 187 H CA 2.330 58.355 56.048 -0.039 0.000 1.244 187 H CB -0.709 29.021 29.762 -0.053 0.000 1.355 187 H HN 0.411 nan 8.280 nan 0.000 0.485 188 G N -0.123 108.665 108.800 -0.019 0.000 2.469 188 G HA2 -0.308 3.652 3.960 0.000 0.000 0.219 188 G HA3 -0.308 3.652 3.960 0.000 0.000 0.219 188 G C 1.925 176.817 174.900 -0.014 0.000 1.150 188 G CA 1.480 46.540 45.100 -0.067 0.000 0.763 188 G HN 0.703 nan 8.290 nan 0.000 0.561 189 A N 0.869 123.736 122.820 0.080 0.000 1.849 189 A HA -0.062 4.258 4.320 0.000 0.000 0.217 189 A C 2.457 180.176 177.584 0.225 0.000 1.202 189 A CA 1.658 53.808 52.037 0.187 0.000 0.629 189 A CB -0.780 18.293 19.000 0.122 0.000 0.834 189 A HN 0.360 nan 8.150 nan 0.000 0.447 190 L N -0.653 120.653 121.223 0.138 0.000 1.997 190 L HA -0.356 3.984 4.340 0.000 0.000 0.227 190 L C 2.650 179.602 176.870 0.136 0.000 1.087 190 L CA 2.324 57.258 54.840 0.156 0.000 0.797 190 L CB -0.966 41.074 42.059 -0.031 0.000 0.902 190 L HN 0.552 nan 8.230 nan 0.000 0.441 191 E N -1.098 119.048 120.200 -0.091 0.000 2.197 191 E HA -0.299 4.051 4.350 0.000 0.000 0.205 191 E C 2.055 178.677 176.600 0.037 0.000 1.029 191 E CA 1.660 58.015 56.400 -0.075 0.000 0.828 191 E CB -0.313 29.195 29.700 -0.320 0.000 0.737 191 E HN 0.590 nan 8.360 nan 0.000 0.464 192 H N -0.818 118.348 119.070 0.159 0.000 2.403 192 H HA -0.093 4.463 4.556 0.000 0.000 0.298 192 H C 1.783 177.202 175.328 0.151 0.000 1.059 192 H CA 1.231 57.366 56.048 0.144 0.000 1.363 192 H CB -0.510 29.343 29.762 0.151 0.000 1.410 192 H HN 0.282 nan 8.280 nan 0.000 0.528 193 Y N 1.944 122.370 120.300 0.210 0.000 2.248 193 Y HA -0.356 4.194 4.550 0.000 0.000 0.274 193 Y C 2.231 178.106 175.900 -0.042 0.000 1.277 193 Y CA 1.886 59.971 58.100 -0.026 0.000 1.140 193 Y CB -0.770 37.457 38.460 -0.388 0.000 0.934 193 Y HN -0.048 nan 8.280 nan 0.000 0.529 194 V N 0.743 120.490 119.914 -0.279 0.000 2.591 194 V HA -0.238 3.882 4.120 0.000 0.000 0.249 194 V C 1.820 177.739 176.094 -0.291 0.000 1.053 194 V CA 1.962 64.004 62.300 -0.430 0.000 1.068 194 V CB -0.496 31.097 31.823 -0.383 0.000 0.689 194 V HN 0.523 nan 8.190 nan 0.000 0.462 195 N N -0.157 118.456 118.700 -0.144 0.000 2.349 195 N HA -0.066 4.674 4.740 0.000 0.000 0.180 195 N C 1.614 177.047 175.510 -0.129 0.000 1.024 195 N CA 1.504 54.489 53.050 -0.108 0.000 0.869 195 N CB -0.714 37.756 38.487 -0.028 0.000 1.022 195 N HN 0.439 nan 8.380 nan 0.000 0.433 196 C N 1.529 120.788 119.300 -0.067 0.000 2.485 196 C HA 0.143 4.603 4.460 0.000 0.000 0.283 196 C C 2.394 177.253 174.990 -0.219 0.000 1.478 196 C CA -0.341 58.618 59.018 -0.098 0.000 1.741 196 C CB -1.726 26.074 27.740 0.100 0.000 1.675 196 C HN 0.319 nan 8.230 nan 0.000 0.573 197 L N 1.859 122.934 121.223 -0.246 0.000 2.313 197 L HA 0.040 4.380 4.340 0.000 0.000 0.214 197 L C 1.844 178.529 176.870 -0.308 0.000 1.119 197 L CA 2.037 56.672 54.840 -0.342 0.000 0.809 197 L CB -0.956 40.816 42.059 -0.477 0.000 0.933 197 L HN 0.314 nan 8.230 nan 0.000 0.449 198 D N -0.972 119.275 120.400 -0.255 0.000 2.149 198 D HA -0.217 4.423 4.640 0.000 0.000 0.201 198 D C 2.102 178.260 176.300 -0.238 0.000 0.972 198 D CA 0.705 54.581 54.000 -0.206 0.000 0.835 198 D CB -0.009 40.692 40.800 -0.165 0.000 0.966 198 D HN 0.249 nan 8.370 nan 0.000 0.476 199 L N 0.242 121.271 121.223 -0.322 0.000 2.197 199 L HA -0.110 4.230 4.340 0.000 0.000 0.215 199 L C 1.130 177.796 176.870 -0.339 0.000 1.095 199 L CA 1.327 55.910 54.840 -0.428 0.000 0.764 199 L CB -0.183 41.456 42.059 -0.700 0.000 0.897 199 L HN 0.224 nan 8.230 nan 0.000 0.436 200 V N -3.225 116.507 119.914 -0.304 0.000 2.843 200 V HA 0.340 4.460 4.120 0.000 0.000 0.366 200 V C 0.647 176.669 176.094 -0.120 0.000 1.283 200 V CA -0.427 61.777 62.300 -0.159 0.000 1.303 200 V CB -0.490 31.226 31.823 -0.178 0.000 1.418 200 V HN 0.422 nan 8.190 nan 0.000 0.598 201 N N 2.377 121.007 118.700 -0.116 0.000 2.661 201 N HA -0.288 4.452 4.740 0.000 0.000 0.249 201 N C 0.797 176.258 175.510 -0.083 0.000 1.142 201 N CA 1.664 54.664 53.050 -0.084 0.000 0.727 201 N CB -0.750 37.707 38.487 -0.050 0.000 1.099 201 N HN 0.974 nan 8.380 nan 0.000 0.558 202 K N -1.385 118.944 120.400 -0.117 0.000 3.291 202 K HA -0.241 4.079 4.320 0.000 0.000 0.290 202 K C -0.586 175.987 176.600 -0.045 0.000 1.235 202 K CA 1.079 57.306 56.287 -0.101 0.000 0.848 202 K CB -0.626 31.823 32.500 -0.085 0.000 1.295 202 K HN 0.456 nan 8.250 nan 0.000 0.497 203 R N 0.279 120.758 120.500 -0.035 0.000 2.573 203 R HA 0.642 4.982 4.340 0.000 0.000 0.272 203 R C 0.088 176.431 176.300 0.071 0.000 1.009 203 R CA -0.779 55.330 56.100 0.015 0.000 1.059 203 R CB 0.860 31.168 30.300 0.014 0.000 1.112 203 R HN 0.080 nan 8.270 nan 0.000 0.517 204 L N 1.691 122.965 121.223 0.084 0.000 2.323 204 L HA 0.581 4.921 4.340 0.000 0.000 0.265 204 L C -1.919 174.992 176.870 0.069 0.000 1.012 204 L CA -2.170 52.727 54.840 0.094 0.000 0.820 204 L CB 2.034 44.150 42.059 0.095 0.000 1.334 204 L HN 0.501 nan 8.230 nan 0.000 0.427 205 P HA 0.293 nan 4.420 nan 0.000 0.279 205 P C -1.808 175.296 177.300 -0.325 0.000 1.282 205 P CA -0.153 62.754 63.100 -0.321 0.000 0.788 205 P CB 1.010 32.321 31.700 -0.649 0.000 1.139 206 Y N -2.557 117.227 120.300 -0.860 0.000 2.458 206 Y HA 0.507 5.057 4.550 0.000 0.000 0.330 206 Y C -1.673 174.094 175.900 -0.223 0.000 1.292 206 Y CA -0.729 57.135 58.100 -0.393 0.000 1.262 206 Y CB 0.318 38.796 38.460 0.030 0.000 1.324 206 Y HN 0.748 nan 8.280 nan 0.000 0.468 207 G N 3.859 112.683 108.800 0.040 0.000 2.605 207 G HA2 0.676 4.636 3.960 0.000 0.000 0.296 207 G HA3 0.676 4.636 3.960 0.000 0.000 0.296 207 G C -2.145 172.800 174.900 0.075 0.000 1.304 207 G CA -1.271 43.743 45.100 -0.143 0.000 0.941 207 G HN 0.769 nan 8.290 nan 0.000 0.475 208 L N 0.549 121.757 121.223 -0.025 0.000 2.329 208 L HA 0.770 5.110 4.340 0.000 0.000 0.279 208 L C 0.405 177.316 176.870 0.069 0.000 1.014 208 L CA -0.884 54.057 54.840 0.169 0.000 0.814 208 L CB 1.990 44.208 42.059 0.263 0.000 1.257 208 L HN 0.683 nan 8.230 nan 0.000 0.424 209 A N 2.957 125.852 122.820 0.126 0.000 2.384 209 A HA 0.869 5.189 4.320 0.000 0.000 0.312 209 A C -0.982 176.796 177.584 0.323 0.000 1.113 209 A CA -0.403 51.730 52.037 0.159 0.000 0.779 209 A CB 2.270 21.254 19.000 -0.026 0.000 1.307 209 A HN 0.724 nan 8.150 nan 0.000 0.436 210 Q N -0.268 119.741 119.800 0.348 0.000 2.756 210 Q HA 0.630 4.970 4.340 0.000 0.000 0.295 210 Q C -2.366 173.704 176.000 0.118 0.000 0.903 210 Q CA -0.585 55.375 55.803 0.261 0.000 0.768 210 Q CB 1.480 30.293 28.738 0.124 0.000 1.472 210 Q HN 0.719 nan 8.270 nan 0.000 0.416 211 I N 1.512 122.079 120.570 -0.004 0.000 2.586 211 I HA 0.705 4.875 4.170 0.000 0.000 0.288 211 I C -0.340 175.716 176.117 -0.102 0.000 1.147 211 I CA -0.516 60.698 61.300 -0.143 0.000 1.047 211 I CB 2.066 39.940 38.000 -0.210 0.000 1.244 211 I HN 0.781 nan 8.210 nan 0.000 0.429 212 G N 4.613 113.355 108.800 -0.096 0.000 2.663 212 G HA2 0.654 4.614 3.960 0.000 0.000 0.299 212 G HA3 0.654 4.614 3.960 0.000 0.000 0.299 212 G C -1.549 173.329 174.900 -0.036 0.000 1.372 212 G CA -0.488 44.588 45.100 -0.040 0.000 0.781 212 G HN 0.236 nan 8.290 nan 0.000 0.491 213 V N -0.547 119.385 119.914 0.030 0.000 2.481 213 V HA 0.561 4.681 4.120 0.000 0.000 0.286 213 V C -0.042 175.849 176.094 -0.339 0.000 1.042 213 V CA -0.597 61.683 62.300 -0.034 0.000 0.928 213 V CB 0.766 32.668 31.823 0.132 0.000 0.986 213 V HN 0.855 nan 8.190 nan 0.000 0.462 214 C N 3.700 122.705 119.300 -0.493 0.000 2.667 214 C HA 0.728 5.188 4.460 0.000 0.000 0.323 214 C C -0.426 174.005 174.990 -0.931 0.000 1.214 214 C CA -0.850 57.687 59.018 -0.802 0.000 1.721 214 C CB 1.369 28.939 27.740 -0.282 0.000 2.275 214 C HN 0.771 nan 8.230 nan 0.000 0.491 215 F N 0.847 120.783 119.950 -0.024 0.000 2.403 215 F HA 0.413 4.940 4.527 0.000 0.000 0.355 215 F C 0.385 176.286 175.800 0.169 0.000 1.119 215 F CA -0.459 57.535 58.000 -0.011 0.000 1.007 215 F CB 0.365 39.411 39.000 0.078 0.000 1.194 215 F HN 0.595 nan 8.300 nan 0.000 0.443 216 H N 3.472 122.675 119.070 0.223 0.000 2.551 216 H HA 0.283 4.839 4.556 0.000 0.000 0.321 216 H C -2.457 172.954 175.328 0.137 0.000 1.028 216 H CA -2.363 53.766 56.048 0.135 0.000 1.215 216 H CB 1.487 31.306 29.762 0.095 0.000 1.414 216 H HN 0.339 nan 8.280 nan 0.000 0.480 217 P HA 0.053 nan 4.420 nan 0.000 0.275 217 P C -0.342 177.038 177.300 0.134 0.000 1.228 217 P CA -0.248 62.960 63.100 0.180 0.000 0.786 217 P CB 1.828 33.585 31.700 0.096 0.000 0.927 230 S N 2.188 117.954 115.700 0.109 0.000 2.677 230 S HA 0.700 5.170 4.470 0.000 0.000 0.304 230 S C 0.034 174.713 174.600 0.132 0.000 1.108 230 S CA -0.902 57.349 58.200 0.085 0.000 0.944 230 S CB 0.947 64.174 63.200 0.045 0.000 1.127 230 S HN 0.389 nan 8.310 nan 0.000 0.511 231 I N 0.769 121.406 120.570 0.112 0.000 3.021 231 I HA 0.676 4.846 4.170 0.000 0.000 0.303 231 I C 0.997 177.190 176.117 0.127 0.000 1.044 231 I CA -0.146 61.237 61.300 0.138 0.000 1.266 231 I CB 0.246 38.300 38.000 0.090 0.000 1.447 231 I HN 0.952 nan 8.210 nan 0.000 0.593 232 G N 0.786 109.682 108.800 0.162 0.000 2.620 232 G HA2 0.671 4.631 3.960 0.000 0.000 0.301 232 G HA3 0.671 4.631 3.960 0.000 0.000 0.301 232 G C -1.404 173.601 174.900 0.176 0.000 1.347 232 G CA -0.485 44.704 45.100 0.147 0.000 0.971 232 G HN 0.524 nan 8.290 nan 0.000 0.488 233 E N 0.931 121.236 120.200 0.175 0.000 2.218 233 E HA 0.364 4.714 4.350 0.000 0.000 0.263 233 E C -0.878 175.807 176.600 0.142 0.000 0.879 233 E CA -0.536 55.998 56.400 0.224 0.000 0.762 233 E CB 2.464 32.326 29.700 0.271 0.000 1.166 233 E HN 0.285 nan 8.360 nan 0.000 0.415 234 K N 1.491 121.893 120.400 0.004 0.000 2.427 234 K HA 0.349 4.669 4.320 0.000 0.000 0.252 234 K C -1.021 175.586 176.600 0.011 0.000 0.931 234 K CA -0.646 55.661 56.287 0.034 0.000 0.793 234 K CB 2.235 34.729 32.500 -0.010 0.000 1.211 234 K HN 0.277 nan 8.250 nan 0.000 0.426 235 T N 2.890 117.487 114.554 0.072 0.000 2.794 235 T HA 0.154 4.504 4.350 0.000 0.000 0.304 235 T C -0.335 174.357 174.700 -0.013 0.000 0.973 235 T CA -0.282 61.829 62.100 0.018 0.000 0.972 235 T CB 0.154 69.034 68.868 0.020 0.000 0.952 235 T HN 0.383 nan 8.240 nan 0.000 0.509 236 E N 1.597 121.769 120.200 -0.047 0.000 2.248 236 E HA 0.642 4.992 4.350 0.000 0.000 0.272 236 E C -0.451 176.033 176.600 -0.192 0.000 1.008 236 E CA -0.899 55.464 56.400 -0.061 0.000 0.856 236 E CB 1.404 31.105 29.700 0.001 0.000 1.120 236 E HN 0.600 nan 8.360 nan 0.000 0.397 237 A N 1.716 124.354 122.820 -0.303 0.000 2.291 237 A HA 0.502 4.822 4.320 0.000 0.000 0.311 237 A C -0.636 176.764 177.584 -0.307 0.000 1.224 237 A CA -0.600 51.035 52.037 -0.670 0.000 0.821 237 A CB 0.805 18.882 19.000 -1.538 0.000 1.172 237 A HN 0.495 nan 8.150 nan 0.000 0.494 238 S N 1.954 117.576 115.700 -0.130 0.000 2.542 238 S HA 0.793 5.263 4.470 0.000 0.000 0.293 238 S C -1.105 173.590 174.600 0.158 0.000 1.089 238 S CA -0.674 57.567 58.200 0.068 0.000 0.961 238 S CB 1.639 64.845 63.200 0.010 0.000 1.062 238 S HN 1.678 nan 8.310 nan 0.000 0.483 239 L N 2.455 123.686 121.223 0.014 0.000 2.441 239 L HA 0.676 5.016 4.340 0.000 0.000 0.270 239 L C -1.563 175.153 176.870 -0.258 0.000 0.973 239 L CA -0.585 54.165 54.840 -0.150 0.000 0.842 239 L CB 1.805 43.619 42.059 -0.409 0.000 1.239 239 L HN 0.611 nan 8.230 nan 0.000 0.406 240 V N 4.994 124.751 119.914 -0.262 0.000 2.288 240 V HA 0.194 4.314 4.120 0.000 0.000 0.266 240 V C -0.253 175.413 176.094 -0.713 0.000 1.048 240 V CA -0.459 61.599 62.300 -0.404 0.000 0.842 240 V CB 0.646 32.268 31.823 -0.336 0.000 1.064 240 V HN 0.845 nan 8.190 nan 0.000 0.472 241 W N 6.018 126.847 121.300 -0.786 0.000 2.419 241 W HA 0.442 5.102 4.660 0.000 0.000 0.312 241 W C -1.128 174.985 176.519 -0.676 0.000 1.323 241 W CA -0.599 56.307 57.345 -0.731 0.000 1.293 241 W CB 0.660 29.774 29.460 -0.578 0.000 1.324 241 W HN 0.413 nan 8.180 nan 0.000 0.512 242 F N 3.901 123.509 119.950 -0.570 0.000 2.385 242 F HA 0.372 4.899 4.527 -0.000 0.000 0.336 242 F C 0.862 176.297 175.800 -0.609 0.000 1.100 242 F CA -0.303 57.407 58.000 -0.484 0.000 1.116 242 F CB 1.436 40.193 39.000 -0.405 0.000 1.166 242 F HN 0.026 nan 8.300 nan 0.000 0.511 243 T N 3.043 117.519 114.554 -0.130 0.000 2.883 243 T HA 0.539 4.889 4.350 0.000 0.000 0.301 243 T C -3.097 171.647 174.700 0.073 0.000 1.158 243 T CA -2.325 59.731 62.100 -0.072 0.000 1.007 243 T CB 2.107 71.037 68.868 0.103 0.000 1.186 243 T HN 0.323 nan 8.240 nan 0.000 0.499 244 P HA 0.347 nan 4.420 nan 0.000 0.292 244 P C -2.378 174.998 177.300 0.127 0.000 1.326 244 P CA -1.580 61.593 63.100 0.120 0.000 0.787 244 P CB 1.185 32.959 31.700 0.124 0.000 0.903 245 P HA -0.254 nan 4.420 nan 0.000 0.226 245 P C 1.775 179.128 177.300 0.087 0.000 1.154 245 P CA 1.789 64.945 63.100 0.092 0.000 0.918 245 P CB -0.113 31.632 31.700 0.074 0.000 0.790 246 R N -0.754 119.789 120.500 0.072 0.000 2.136 246 R HA -0.175 4.165 4.340 0.000 0.000 0.242 246 R C 1.555 177.882 176.300 0.044 0.000 1.131 246 R CA 2.605 58.735 56.100 0.050 0.000 0.937 246 R CB -1.061 29.263 30.300 0.040 0.000 0.863 246 R HN 0.310 nan 8.270 nan 0.000 0.435 247 T N -2.625 111.968 114.554 0.065 0.000 3.273 247 T HA 0.168 4.518 4.350 0.000 0.000 0.254 247 T C 1.245 176.032 174.700 0.144 0.000 1.002 247 T CA 0.111 62.221 62.100 0.016 0.000 0.913 247 T CB 0.793 69.600 68.868 -0.102 0.000 1.056 247 T HN 0.046 nan 8.240 nan 0.000 0.576 248 S N 1.831 117.642 115.700 0.184 0.000 2.355 248 S HA -0.117 4.353 4.470 0.000 0.000 0.222 248 S C 2.163 176.902 174.600 0.232 0.000 1.031 248 S CA 0.923 59.274 58.200 0.252 0.000 0.993 248 S CB -0.471 62.833 63.200 0.173 0.000 0.859 248 S HN 0.634 nan 8.310 nan 0.000 0.453 249 N N 0.395 119.180 118.700 0.141 0.000 2.244 249 N HA -0.085 4.655 4.740 0.000 0.000 0.183 249 N C 1.754 177.335 175.510 0.118 0.000 1.016 249 N CA 0.878 53.998 53.050 0.117 0.000 0.866 249 N CB -0.259 38.270 38.487 0.070 0.000 0.980 249 N HN 0.281 nan 8.380 nan 0.000 0.430 250 Q N -0.010 119.831 119.800 0.068 0.000 2.002 250 Q HA -0.094 4.246 4.340 0.000 0.000 0.204 250 Q C 1.913 177.958 176.000 0.075 0.000 0.988 250 Q CA 1.556 57.345 55.803 -0.023 0.000 0.843 250 Q CB -0.862 27.750 28.738 -0.209 0.000 0.908 250 Q HN 0.471 nan 8.270 nan 0.000 0.420 251 W N -0.052 121.376 121.300 0.214 0.000 2.363 251 W HA -0.163 4.497 4.660 0.000 0.000 0.296 251 W C 1.982 178.754 176.519 0.421 0.000 1.212 251 W CA 0.093 57.641 57.345 0.339 0.000 1.260 251 W CB -0.257 29.556 29.460 0.587 0.000 1.131 251 W HN 0.178 nan 8.180 nan 0.000 0.530 252 L N 0.887 122.436 121.223 0.543 0.000 1.994 252 L HA -0.221 4.119 4.340 0.000 0.000 0.208 252 L C 1.784 178.809 176.870 0.257 0.000 1.071 252 L CA 2.140 57.196 54.840 0.360 0.000 0.745 252 L CB -1.546 40.644 42.059 0.218 0.000 0.892 252 L HN -0.029 nan 8.230 nan 0.000 0.431 253 D N -0.776 119.740 120.400 0.194 0.000 2.149 253 D HA -0.278 4.362 4.640 0.000 0.000 0.194 253 D C 1.964 178.345 176.300 0.135 0.000 1.001 253 D CA 1.447 55.517 54.000 0.116 0.000 0.849 253 D CB -0.144 40.703 40.800 0.078 0.000 0.939 253 D HN 0.360 nan 8.370 nan 0.000 0.449 254 F N 0.310 120.294 119.950 0.056 0.000 1.983 254 F HA -0.190 4.337 4.527 0.000 0.000 0.295 254 F C 2.042 177.829 175.800 -0.022 0.000 1.197 254 F CA 1.649 59.635 58.000 -0.023 0.000 1.165 254 F CB -1.095 37.871 39.000 -0.056 0.000 0.970 254 F HN -0.042 nan 8.300 nan 0.000 0.488 255 W N 0.655 121.803 121.300 -0.254 0.000 2.286 255 W HA -0.376 4.284 4.660 -0.000 0.000 0.341 255 W C 2.436 178.738 176.519 -0.363 0.000 1.359 255 W CA 1.874 58.911 57.345 -0.512 0.000 1.269 255 W CB -1.629 27.666 29.460 -0.275 0.000 1.123 255 W HN 0.357 nan 8.180 nan 0.000 0.467 256 L N 0.975 122.243 121.223 0.075 0.000 2.056 256 L HA -0.378 3.962 4.340 0.000 0.000 0.237 256 L C 2.557 179.403 176.870 -0.040 0.000 1.106 256 L CA 2.959 57.798 54.840 -0.002 0.000 0.829 256 L CB -1.516 40.531 42.059 -0.020 0.000 0.924 256 L HN 0.155 nan 8.230 nan 0.000 0.447 257 R N -1.552 118.897 120.500 -0.085 0.000 2.136 257 R HA -0.307 4.033 4.340 0.000 0.000 0.242 257 R C 2.499 178.734 176.300 -0.109 0.000 1.131 257 R CA 2.174 58.213 56.100 -0.101 0.000 0.937 257 R CB -0.882 29.343 30.300 -0.127 0.000 0.863 257 R HN 0.820 nan 8.270 nan 0.000 0.435 258 H N 0.613 119.455 119.070 -0.380 0.000 2.254 258 H HA -0.134 4.422 4.556 0.000 0.000 0.294 258 H C 1.989 177.228 175.328 -0.149 0.000 1.071 258 H CA 2.123 57.938 56.048 -0.388 0.000 1.228 258 H CB -0.237 29.023 29.762 -0.836 0.000 1.358 258 H HN 0.123 nan 8.280 nan 0.000 0.495 259 R N 0.332 121.029 120.500 0.329 0.000 2.153 259 R HA -0.161 4.179 4.340 0.000 0.000 0.252 259 R C 2.635 179.162 176.300 0.379 0.000 1.158 259 R CA 1.216 57.507 56.100 0.318 0.000 0.975 259 R CB -1.214 29.202 30.300 0.194 0.000 0.871 259 R HN 0.360 nan 8.270 nan 0.000 0.450 260 L N 1.589 122.928 121.223 0.194 0.000 1.976 260 L HA -0.167 4.173 4.340 0.000 0.000 0.209 260 L C 2.149 179.109 176.870 0.149 0.000 1.071 260 L CA 1.796 56.722 54.840 0.143 0.000 0.746 260 L CB -0.759 41.309 42.059 0.015 0.000 0.890 260 L HN 0.158 nan 8.230 nan 0.000 0.432 261 Q N -1.724 118.102 119.800 0.043 0.000 2.376 261 Q HA -0.281 4.059 4.340 0.000 0.000 0.211 261 Q C 1.788 177.773 176.000 -0.025 0.000 0.986 261 Q CA 1.807 57.596 55.803 -0.023 0.000 0.886 261 Q CB -0.395 28.282 28.738 -0.102 0.000 0.927 261 Q HN 0.703 nan 8.270 nan 0.000 0.457 262 W N 0.099 121.314 121.300 -0.141 0.000 2.381 262 W HA -0.181 4.479 4.660 0.000 0.000 0.323 262 W C 1.222 177.618 176.519 -0.205 0.000 1.194 262 W CA 1.261 58.468 57.345 -0.229 0.000 1.296 262 W CB -0.723 28.621 29.460 -0.193 0.000 1.175 262 W HN 0.097 nan 8.180 nan 0.000 0.465 263 W N 0.671 121.946 121.300 -0.040 0.000 2.317 263 W HA -0.192 4.468 4.660 0.000 0.000 0.318 263 W C 2.546 178.858 176.519 -0.344 0.000 1.227 263 W CA 2.251 59.361 57.345 -0.392 0.000 1.269 263 W CB -1.377 27.563 29.460 -0.867 0.000 1.155 263 W HN -0.164 nan 8.180 nan 0.000 0.484 264 R N 0.601 121.126 120.500 0.041 0.000 2.170 264 R HA -0.217 4.123 4.340 0.000 0.000 0.242 264 R C 2.081 178.398 176.300 0.028 0.000 1.145 264 R CA 1.740 57.934 56.100 0.157 0.000 0.984 264 R CB -0.531 29.833 30.300 0.107 0.000 0.869 264 R HN 0.251 nan 8.270 nan 0.000 0.455 265 K N 0.526 120.788 120.400 -0.229 0.000 2.000 265 K HA -0.200 4.120 4.320 0.000 0.000 0.218 265 K C 1.232 177.669 176.600 -0.272 0.000 1.053 265 K CA 1.850 57.864 56.287 -0.454 0.000 0.946 265 K CB -0.147 31.711 32.500 -1.069 0.000 0.723 265 K HN 0.077 nan 8.250 nan 0.000 0.446 266 F N 0.806 120.745 119.950 -0.019 0.000 2.802 266 F HA 0.232 4.759 4.527 0.000 0.000 0.300 266 F C 0.985 177.011 175.800 0.377 0.000 1.168 266 F CA -0.040 58.033 58.000 0.121 0.000 1.433 266 F CB -0.605 38.298 39.000 -0.161 0.000 1.115 266 F HN 0.019 nan 8.300 nan 0.000 0.582 267 A N 0.404 123.510 122.820 0.477 0.000 2.351 267 A HA 0.405 4.725 4.320 0.000 0.000 0.257 267 A C 1.099 178.832 177.584 0.248 0.000 1.087 267 A CA -0.286 51.984 52.037 0.388 0.000 0.798 267 A CB 0.411 19.630 19.000 0.365 0.000 1.033 267 A HN 0.172 nan 8.150 nan 0.000 0.488 268 M N 1.123 120.835 119.600 0.186 0.000 2.383 268 M HA 0.125 4.605 4.480 0.000 0.000 0.247 268 M C 0.224 176.565 176.300 0.068 0.000 1.117 268 M CA 0.614 55.983 55.300 0.114 0.000 0.995 268 M CB -0.849 31.814 32.600 0.106 0.000 1.480 268 M HN 0.948 nan 8.290 nan 0.000 0.485 269 S N -0.871 114.868 115.700 0.065 0.000 2.908 269 S HA 0.191 4.661 4.470 0.000 0.000 0.140 269 S C -2.094 172.504 174.600 -0.003 0.000 0.890 269 S CA -0.781 57.424 58.200 0.008 0.000 0.995 269 S CB 0.256 63.436 63.200 -0.032 0.000 1.660 269 S HN 0.029 nan 8.310 nan 0.000 0.507 270 P HA -0.182 nan 4.420 nan 0.000 0.216 270 P C 1.551 178.896 177.300 0.076 0.000 1.150 270 P CA 1.910 65.101 63.100 0.152 0.000 0.843 270 P CB -0.356 31.428 31.700 0.140 0.000 0.787 271 S N -0.997 114.697 115.700 -0.010 0.000 2.571 271 S HA -0.067 4.403 4.470 0.000 0.000 0.245 271 S C 1.456 175.966 174.600 -0.151 0.000 0.976 271 S CA 0.552 58.720 58.200 -0.054 0.000 0.954 271 S CB -1.188 61.977 63.200 -0.057 0.000 0.756 271 S HN 0.152 nan 8.310 nan 0.000 0.535 272 N N 0.312 118.842 118.700 -0.284 0.000 2.353 272 N HA 0.228 4.968 4.740 0.000 0.000 0.185 272 N C -0.906 174.255 175.510 -0.581 0.000 1.098 272 N CA 0.231 52.959 53.050 -0.537 0.000 0.872 272 N CB -0.012 37.968 38.487 -0.845 0.000 0.970 272 N HN 0.378 nan 8.380 nan 0.000 0.467 273 F N 1.196 121.003 119.950 -0.238 0.000 2.404 273 F HA 0.324 4.851 4.527 0.000 0.000 0.354 273 F C 0.804 176.504 175.800 -0.167 0.000 1.122 273 F CA -1.081 56.798 58.000 -0.202 0.000 1.080 273 F CB 1.070 39.998 39.000 -0.121 0.000 1.131 273 F HN -0.209 nan 8.300 nan 0.000 0.471 274 S N 0.851 116.573 115.700 0.037 0.000 2.667 274 S HA 0.887 5.357 4.470 0.000 0.000 0.292 274 S C -0.569 173.972 174.600 -0.099 0.000 1.126 274 S CA -0.869 57.322 58.200 -0.017 0.000 0.881 274 S CB 1.700 64.898 63.200 -0.004 0.000 1.132 274 S HN 0.510 nan 8.310 nan 0.000 0.492 275 S N 0.088 115.728 115.700 -0.100 0.000 2.689 275 S HA 0.919 5.389 4.470 0.000 0.000 0.306 275 S C -0.384 174.144 174.600 -0.120 0.000 1.104 275 S CA -0.391 57.709 58.200 -0.166 0.000 0.973 275 S CB 1.275 64.400 63.200 -0.126 0.000 1.121 275 S HN 1.838 nan 8.310 nan 0.000 0.523 276 S N -0.109 115.496 115.700 -0.159 0.000 2.565 276 S HA 0.644 5.114 4.470 0.000 0.000 0.269 276 S C -2.313 172.216 174.600 -0.118 0.000 1.153 276 S CA -0.893 57.261 58.200 -0.077 0.000 0.835 276 S CB 1.240 64.460 63.200 0.033 0.000 1.122 276 S HN 0.696 nan 8.310 nan 0.000 0.462 277 D N 0.464 120.819 120.400 -0.075 0.000 2.272 277 D HA 0.881 5.521 4.640 0.000 0.000 0.247 277 D C -0.181 176.076 176.300 -0.071 0.000 0.990 277 D CA -0.225 53.715 54.000 -0.099 0.000 0.931 277 D CB 1.398 42.164 40.800 -0.056 0.000 1.195 277 D HN 1.051 nan 8.370 nan 0.000 0.477 278 C N -0.725 118.516 119.300 -0.099 0.000 3.231 278 C HA 0.749 5.209 4.460 0.000 0.000 0.343 278 C C -1.719 173.335 174.990 0.108 0.000 1.349 278 C CA -1.079 57.945 59.018 0.010 0.000 1.209 278 C CB 0.802 28.569 27.740 0.045 0.000 1.475 278 C HN 0.840 nan 8.230 nan 0.000 0.460 279 Q N -0.202 119.769 119.800 0.286 0.000 2.565 279 Q HA 0.630 4.970 4.340 0.000 0.000 0.294 279 Q C -1.354 174.841 176.000 0.324 0.000 1.005 279 Q CA -0.426 55.611 55.803 0.389 0.000 0.771 279 Q CB 1.389 30.248 28.738 0.203 0.000 1.486 279 Q HN 0.804 nan 8.270 nan 0.000 0.422 280 D N 0.637 121.158 120.400 0.202 0.000 3.400 280 D HA -0.191 4.449 4.640 0.000 0.000 0.226 280 D C -0.220 175.983 176.300 -0.160 0.000 1.152 280 D CA 1.452 55.450 54.000 -0.003 0.000 1.008 280 D CB 0.100 40.915 40.800 0.025 0.000 0.866 280 D HN 0.795 nan 8.370 nan 0.000 0.402 281 E N 1.329 121.247 120.200 -0.470 0.000 2.307 281 E HA 0.005 4.355 4.350 0.000 0.000 0.192 281 E C 0.448 176.821 176.600 -0.379 0.000 0.967 281 E CA 0.059 56.117 56.400 -0.570 0.000 1.042 281 E CB 0.390 29.334 29.700 -1.260 0.000 1.126 281 E HN 0.131 nan 8.360 nan 0.000 0.484 282 E N -0.192 119.752 120.200 -0.426 0.000 2.887 282 E HA 0.364 4.714 4.350 0.000 0.000 0.206 282 E C -1.018 175.477 176.600 -0.175 0.000 0.983 282 E CA 0.192 56.469 56.400 -0.205 0.000 1.141 282 E CB 1.647 31.240 29.700 -0.178 0.000 1.061 282 E HN 0.373 nan 8.360 nan 0.000 0.468 283 G N 0.835 109.527 108.800 -0.180 0.000 2.318 283 G HA2 0.017 3.977 3.960 0.000 0.000 0.302 283 G HA3 0.017 3.977 3.960 0.000 0.000 0.302 283 G C -0.804 174.104 174.900 0.012 0.000 1.633 283 G CA -1.033 44.010 45.100 -0.095 0.000 0.965 283 G HN 0.162 nan 8.290 nan 0.000 0.698 284 R N 0.394 120.939 120.500 0.075 0.000 2.893 284 R HA 0.604 4.944 4.340 0.000 0.000 0.279 284 R C 0.137 176.603 176.300 0.276 0.000 1.076 284 R CA 0.209 56.410 56.100 0.168 0.000 1.203 284 R CB 0.238 30.601 30.300 0.105 0.000 1.137 284 R HN 1.050 nan 8.270 nan 0.000 0.541 285 K N -1.022 119.545 120.400 0.278 0.000 6.595 285 K HA -0.107 4.213 4.320 0.000 0.000 0.817 285 K C -1.132 175.555 176.600 0.145 0.000 2.257 285 K CA 1.191 57.586 56.287 0.179 0.000 1.680 285 K CB -1.110 31.470 32.500 0.133 0.000 2.220 285 K HN 1.177 nan 8.250 nan 0.000 0.275 286 G N 2.330 110.944 108.800 -0.310 0.000 2.523 286 G HA2 0.560 4.520 3.960 0.000 0.000 0.291 286 G HA3 0.560 4.520 3.960 0.000 0.000 0.291 286 G C -1.633 172.767 174.900 -0.834 0.000 1.450 286 G CA -0.758 43.715 45.100 -1.044 0.000 0.790 286 G HN 0.469 nan 8.290 nan 0.000 0.496 287 N N -0.346 117.859 118.700 -0.824 0.000 2.405 287 N HA 0.640 5.380 4.740 0.000 0.000 0.285 287 N C -1.186 174.040 175.510 -0.475 0.000 1.262 287 N CA -0.498 52.253 53.050 -0.498 0.000 0.773 287 N CB 2.568 40.871 38.487 -0.307 0.000 1.490 287 N HN 0.491 nan 8.380 nan 0.000 0.486 288 K N 1.038 121.197 120.400 -0.402 0.000 2.535 288 K HA 0.430 4.750 4.320 0.000 0.000 0.251 288 K C -1.286 174.846 176.600 -0.780 0.000 0.942 288 K CA -0.715 55.263 56.287 -0.515 0.000 0.798 288 K CB 2.060 34.303 32.500 -0.427 0.000 1.267 288 K HN 0.193 nan 8.250 nan 0.000 0.434 289 L N 3.292 124.092 121.223 -0.705 0.000 2.317 289 L HA 0.525 4.865 4.340 0.000 0.000 0.281 289 L C -0.719 175.722 176.870 -0.715 0.000 1.024 289 L CA -0.555 53.891 54.840 -0.658 0.000 0.810 289 L CB 0.291 42.034 42.059 -0.526 0.000 1.240 289 L HN 0.568 nan 8.230 nan 0.000 0.427 290 Y N 1.831 122.053 120.300 -0.129 0.000 2.576 290 Y HA 0.459 5.009 4.550 0.000 0.000 0.346 290 Y C -0.561 175.310 175.900 -0.048 0.000 1.018 290 Y CA -1.140 56.914 58.100 -0.077 0.000 1.050 290 Y CB 1.695 40.109 38.460 -0.077 0.000 1.280 290 Y HN 0.415 nan 8.280 nan 0.000 0.474 291 Y N 2.067 122.336 120.300 -0.052 0.000 2.364 291 Y HA 0.412 4.962 4.550 0.000 0.000 0.340 291 Y C -0.489 174.997 175.900 -0.691 0.000 0.975 291 Y CA -1.125 56.681 58.100 -0.490 0.000 1.089 291 Y CB 1.177 39.218 38.460 -0.698 0.000 1.192 291 Y HN 0.655 nan 8.280 nan 0.000 0.454 292 N N 6.023 123.849 118.700 -1.457 0.000 2.408 292 N HA 0.156 4.896 4.740 0.000 0.000 0.257 292 N C -1.675 173.032 175.510 -1.339 0.000 1.064 292 N CA 0.159 52.566 53.050 -1.071 0.000 0.952 292 N CB 0.080 38.121 38.487 -0.743 0.000 1.093 292 N HN 0.474 nan 8.380 nan 0.000 0.490 293 F N 4.259 123.680 119.950 -0.883 0.000 2.399 293 F HA 0.366 4.893 4.527 0.000 0.000 0.334 293 F C -0.981 174.262 175.800 -0.929 0.000 1.097 293 F CA -1.918 55.413 58.000 -1.116 0.000 1.076 293 F CB 1.259 38.943 39.000 -2.192 0.000 1.162 293 F HN 0.409 nan 8.300 nan 0.000 0.495 294 P HA -0.267 nan 4.420 nan 0.000 0.224 294 P C 1.067 178.392 177.300 0.040 0.000 1.154 294 P CA 2.411 65.490 63.100 -0.035 0.000 0.868 294 P CB -0.135 31.694 31.700 0.215 0.000 0.782 295 W N -1.299 120.033 121.300 0.053 0.000 2.526 295 W HA 0.419 5.079 4.660 0.000 0.000 0.294 295 W C 0.662 177.185 176.519 0.006 0.000 1.181 295 W CA 1.137 58.497 57.345 0.024 0.000 1.373 295 W CB -0.707 28.761 29.460 0.015 0.000 1.112 295 W HN -0.022 nan 8.180 nan 0.000 0.545 296 G N 0.158 108.687 108.800 -0.451 0.000 2.451 296 G HA2 0.339 4.300 3.960 0.000 0.000 0.292 296 G HA3 0.339 4.300 3.960 0.000 0.000 0.292 296 G C -1.501 173.186 174.900 -0.356 0.000 1.427 296 G CA -1.398 43.560 45.100 -0.236 0.000 0.792 296 G HN -0.014 nan 8.290 nan 0.000 0.498 297 K N -0.082 120.185 120.400 -0.223 0.000 2.202 297 K HA 0.569 4.889 4.320 0.000 0.000 0.264 297 K C -0.595 175.977 176.600 -0.046 0.000 1.010 297 K CA -0.112 56.057 56.287 -0.197 0.000 0.940 297 K CB 1.247 33.591 32.500 -0.259 0.000 0.983 297 K HN 0.414 nan 8.250 nan 0.000 0.475 298 E N 0.876 121.148 120.200 0.121 0.000 2.383 298 E HA 0.287 4.637 4.350 0.000 0.000 0.275 298 E C -1.719 175.088 176.600 0.346 0.000 0.918 298 E CA -0.722 55.816 56.400 0.230 0.000 0.764 298 E CB 1.594 31.535 29.700 0.402 0.000 1.252 298 E HN 0.401 nan 8.360 nan 0.000 0.449 299 L N 4.846 126.281 121.223 0.354 0.000 2.313 299 L HA 0.365 4.705 4.340 0.000 0.000 0.282 299 L C 0.545 177.598 176.870 0.305 0.000 1.092 299 L CA 0.106 55.240 54.840 0.490 0.000 0.831 299 L CB 0.223 42.544 42.059 0.436 0.000 1.159 299 L HN 0.781 nan 8.230 nan 0.000 0.442 300 I N 0.728 121.412 120.570 0.191 0.000 4.139 300 I HA 0.459 4.629 4.170 0.000 0.000 0.335 300 I C 0.112 176.312 176.117 0.138 0.000 1.327 300 I CA -0.183 61.202 61.300 0.142 0.000 1.112 300 I CB 0.446 38.418 38.000 -0.047 0.000 1.058 300 I HN 0.651 nan 8.210 nan 0.000 0.396 301 E N 1.108 121.337 120.200 0.047 0.000 2.388 301 E HA 0.389 4.739 4.350 0.000 0.000 0.281 301 E C -1.191 175.406 176.600 -0.005 0.000 1.046 301 E CA -0.559 55.891 56.400 0.084 0.000 0.825 301 E CB 1.889 31.680 29.700 0.152 0.000 1.243 301 E HN 0.246 nan 8.360 nan 0.000 0.438 302 T N 0.556 115.127 114.554 0.030 0.000 2.893 302 T HA 0.685 5.035 4.350 0.000 0.000 0.293 302 T C -1.346 173.316 174.700 -0.063 0.000 1.027 302 T CA -0.734 61.362 62.100 -0.006 0.000 0.988 302 T CB 1.084 70.046 68.868 0.156 0.000 1.043 302 T HN 0.188 nan 8.240 nan 0.000 0.461 303 L N 3.513 124.586 121.223 -0.249 0.000 2.492 303 L HA 0.568 4.908 4.340 0.000 0.000 0.258 303 L C -1.409 175.264 176.870 -0.329 0.000 1.028 303 L CA -0.641 54.066 54.840 -0.222 0.000 0.900 303 L CB 0.708 42.647 42.059 -0.201 0.000 1.191 303 L HN 0.792 nan 8.230 nan 0.000 0.459 304 W N 1.798 123.083 121.300 -0.025 0.000 2.647 304 W HA 0.468 5.128 4.660 -0.000 0.000 0.353 304 W C 0.777 177.293 176.519 -0.005 0.000 1.080 304 W CA -0.533 56.806 57.345 -0.011 0.000 1.208 304 W CB 1.228 30.680 29.460 -0.013 0.000 1.396 304 W HN 0.286 nan 8.180 nan 0.000 0.573 305 N N 2.792 121.697 118.700 0.341 0.000 2.817 305 N HA 0.138 4.878 4.740 0.000 0.000 0.234 305 N C 0.480 176.072 175.510 0.136 0.000 1.066 305 N CA -0.027 53.142 53.050 0.198 0.000 0.926 305 N CB 0.481 39.071 38.487 0.171 0.000 1.176 305 N HN 0.548 nan 8.380 nan 0.000 0.506 306 L N 1.744 123.021 121.223 0.090 0.000 2.549 306 L HA -0.004 4.336 4.340 0.000 0.000 0.230 306 L C 1.482 178.310 176.870 -0.071 0.000 1.162 306 L CA 0.533 55.376 54.840 0.005 0.000 0.834 306 L CB -0.995 41.079 42.059 0.025 0.000 0.947 306 L HN 0.609 nan 8.230 nan 0.000 0.452 307 G N 1.268 110.047 108.800 -0.036 0.000 2.801 307 G HA2 -0.329 3.631 3.960 0.000 0.000 0.244 307 G HA3 -0.329 3.631 3.960 0.000 0.000 0.244 307 G C 0.219 175.118 174.900 -0.000 0.000 1.385 307 G CA 0.109 45.174 45.100 -0.058 0.000 0.894 307 G HN 0.484 nan 8.290 nan 0.000 0.562 308 D N -0.640 119.790 120.400 0.049 0.000 2.378 308 D HA 0.006 4.646 4.640 0.000 0.000 0.227 308 D C 1.223 177.619 176.300 0.160 0.000 1.012 308 D CA 1.201 55.252 54.000 0.085 0.000 0.905 308 D CB -0.506 40.344 40.800 0.083 0.000 0.895 308 D HN 0.772 nan 8.370 nan 0.000 0.532 309 H N 1.274 120.352 119.070 0.013 0.000 4.745 309 H HA -0.126 4.430 4.556 -0.000 0.000 0.284 309 H C 1.444 176.783 175.328 0.017 0.000 0.971 309 H CA 0.829 56.885 56.048 0.014 0.000 0.777 309 H CB 0.167 29.936 29.762 0.010 0.000 2.149 309 H HN -0.071 nan 8.280 nan 0.000 1.503 310 E N 0.121 120.442 120.200 0.201 0.000 2.722 310 E HA -0.337 4.013 4.350 0.000 0.000 0.245 310 E C 1.942 178.546 176.600 0.007 0.000 1.004 310 E CA 1.989 58.444 56.400 0.092 0.000 1.405 310 E CB -0.904 28.822 29.700 0.043 0.000 1.325 310 E HN 0.352 nan 8.360 nan 0.000 0.479 311 L N 0.345 121.556 121.223 -0.020 0.000 2.030 311 L HA -0.236 4.104 4.340 0.000 0.000 0.222 311 L C 2.147 178.986 176.870 -0.051 0.000 1.082 311 L CA 2.012 56.803 54.840 -0.083 0.000 0.785 311 L CB -0.679 41.336 42.059 -0.074 0.000 0.895 311 L HN 0.315 nan 8.230 nan 0.000 0.439 312 L N -1.508 119.732 121.223 0.028 0.000 2.141 312 L HA -0.231 4.109 4.340 0.000 0.000 0.209 312 L C 2.563 179.474 176.870 0.068 0.000 1.094 312 L CA 1.488 56.361 54.840 0.055 0.000 0.763 312 L CB -0.740 41.346 42.059 0.044 0.000 0.908 312 L HN 0.566 nan 8.230 nan 0.000 0.437 313 H N 0.059 119.084 119.070 -0.074 0.000 2.293 313 H HA -0.272 4.284 4.556 0.000 0.000 0.300 313 H C 2.439 177.691 175.328 -0.126 0.000 1.082 313 H CA 1.946 57.943 56.048 -0.085 0.000 1.308 313 H CB 0.095 29.810 29.762 -0.077 0.000 1.375 313 H HN 0.204 nan 8.280 nan 0.000 0.495 314 M N 0.537 120.002 119.600 -0.224 0.000 2.108 314 M HA -0.201 4.279 4.480 0.000 0.000 0.261 314 M C -0.133 175.896 176.300 -0.451 0.000 1.066 314 M CA 1.602 56.590 55.300 -0.520 0.000 1.107 314 M CB 0.178 32.239 32.600 -0.899 0.000 1.356 314 M HN 0.233 nan 8.290 nan 0.000 0.406 315 Y N 1.274 121.585 120.300 0.017 0.000 2.960 315 Y HA 0.448 4.998 4.550 -0.000 0.000 0.343 315 Y C -2.161 173.748 175.900 0.015 0.000 1.106 315 Y CA -3.857 54.250 58.100 0.012 0.000 1.221 315 Y CB -1.095 37.367 38.460 0.004 0.000 1.232 315 Y HN 0.202 nan 8.280 nan 0.000 0.577 316 P HA 0.466 nan 4.420 nan 0.000 0.274 316 P C 0.756 178.102 177.300 0.077 0.000 1.256 316 P CA 0.649 63.802 63.100 0.088 0.000 0.795 316 P CB 2.193 33.933 31.700 0.067 0.000 1.038 317 G N 0.542 109.367 108.800 0.041 0.000 2.955 317 G HA2 -0.182 3.778 3.960 0.000 0.000 0.230 317 G HA3 -0.182 3.778 3.960 0.000 0.000 0.230 317 G C -0.221 174.683 174.900 0.006 0.000 1.587 317 G CA -0.032 45.083 45.100 0.024 0.000 1.216 317 G HN 0.828 nan 8.290 nan 0.000 0.527 318 N N -0.186 118.511 118.700 -0.005 0.000 2.476 318 N HA 0.482 5.222 4.740 0.000 0.000 0.275 318 N C 0.777 176.247 175.510 -0.067 0.000 1.190 318 N CA 0.161 53.191 53.050 -0.033 0.000 0.977 318 N CB 2.045 40.508 38.487 -0.041 0.000 1.200 318 N HN 0.646 nan 8.380 nan 0.000 0.515 319 V N 1.297 121.139 119.914 -0.119 0.000 3.523 319 V HA 0.077 4.197 4.120 0.000 0.000 0.255 319 V C 1.420 177.176 176.094 -0.564 0.000 1.226 319 V CA 0.834 62.997 62.300 -0.228 0.000 1.092 319 V CB 0.206 31.933 31.823 -0.160 0.000 0.817 319 V HN 0.699 nan 8.190 nan 0.000 0.458 320 S N 0.112 115.597 115.700 -0.359 0.000 2.406 320 S HA -0.083 4.387 4.470 0.000 0.000 0.224 320 S C 1.773 176.322 174.600 -0.084 0.000 1.030 320 S CA 1.192 59.251 58.200 -0.235 0.000 0.958 320 S CB -0.259 63.014 63.200 0.122 0.000 0.811 320 S HN 0.613 nan 8.310 nan 0.000 0.489 321 K N 0.884 121.228 120.400 -0.093 0.000 2.520 321 K HA -0.098 4.222 4.320 0.000 0.000 0.198 321 K C 0.703 177.261 176.600 -0.071 0.000 1.045 321 K CA 0.762 57.004 56.287 -0.074 0.000 0.934 321 K CB -0.134 32.302 32.500 -0.106 0.000 0.766 321 K HN 0.323 nan 8.250 nan 0.000 0.483 322 L N -1.747 119.444 121.223 -0.053 0.000 2.756 322 L HA 0.195 4.535 4.340 0.000 0.000 0.220 322 L C -0.047 177.000 176.870 0.295 0.000 1.797 322 L CA -0.663 54.226 54.840 0.083 0.000 2.814 322 L CB -0.770 41.350 42.059 0.101 0.000 2.634 322 L HN 0.338 nan 8.230 nan 0.000 0.723 323 H N 0.294 119.434 119.070 0.116 0.000 1.948 323 H HA -0.112 4.444 4.556 0.000 0.000 0.291 323 H C -0.111 175.258 175.328 0.070 0.000 0.753 323 H CA -0.240 55.864 56.048 0.092 0.000 0.973 323 H CB -1.439 28.357 29.762 0.057 0.000 1.470 323 H HN 0.557 nan 8.280 nan 0.000 0.248 324 G N 3.579 112.494 108.800 0.193 0.000 2.420 324 G HA2 0.320 4.280 3.960 0.000 0.000 0.284 324 G HA3 0.320 4.280 3.960 0.000 0.000 0.284 324 G C 0.072 174.988 174.900 0.027 0.000 1.177 324 G CA -1.067 44.081 45.100 0.080 0.000 0.841 324 G HN 0.740 nan 8.290 nan 0.000 0.527 325 R N 0.689 121.178 120.500 -0.019 0.000 2.619 325 R HA 0.016 4.356 4.340 0.000 0.000 0.268 325 R C 0.414 176.720 176.300 0.010 0.000 0.990 325 R CA 0.110 56.193 56.100 -0.029 0.000 1.092 325 R CB 0.561 30.842 30.300 -0.031 0.000 0.935 325 R HN 0.729 nan 8.270 nan 0.000 0.415 326 D N 1.019 121.424 120.400 0.008 0.000 2.733 326 D HA 0.040 4.680 4.640 0.000 0.000 0.262 326 D C 0.811 177.127 176.300 0.026 0.000 1.497 326 D CA 0.855 54.874 54.000 0.032 0.000 1.101 326 D CB 0.044 40.864 40.800 0.032 0.000 1.014 326 D HN 0.574 nan 8.370 nan 0.000 0.319 327 G N -0.897 107.912 108.800 0.015 0.000 4.432 327 G HA2 0.360 4.320 3.960 0.000 0.000 0.294 327 G HA3 0.360 4.320 3.960 0.000 0.000 0.294 327 G C 0.405 175.305 174.900 0.000 0.000 1.141 327 G CA -0.279 44.828 45.100 0.011 0.000 0.895 327 G HN 0.262 nan 8.290 nan 0.000 0.548 328 R N -1.305 119.190 120.500 -0.008 0.000 2.325 328 R HA -0.100 4.240 4.340 0.000 0.000 0.406 328 R C -0.068 176.216 176.300 -0.027 0.000 0.299 328 R CA 0.431 56.521 56.100 -0.017 0.000 1.411 328 R CB -0.989 29.303 30.300 -0.012 0.000 1.906 328 R HN 0.362 nan 8.270 nan 0.000 0.236 329 K N 2.396 122.783 120.400 -0.022 0.000 2.268 329 K HA 0.236 4.556 4.320 0.000 0.000 0.276 329 K C -0.529 176.040 176.600 -0.052 0.000 1.080 329 K CA -0.387 55.882 56.287 -0.029 0.000 0.910 329 K CB 0.586 33.081 32.500 -0.007 0.000 1.163 329 K HN 0.101 nan 8.250 nan 0.000 0.465 330 N N 2.014 120.644 118.700 -0.117 0.000 2.416 330 N HA 0.116 4.856 4.740 0.000 0.000 0.265 330 N C -0.820 174.584 175.510 -0.177 0.000 1.195 330 N CA -0.310 52.593 53.050 -0.245 0.000 0.943 330 N CB 1.124 39.317 38.487 -0.490 0.000 1.115 330 N HN 0.174 nan 8.380 nan 0.000 0.481 331 V N 2.559 122.458 119.914 -0.024 0.000 2.841 331 V HA 0.419 4.539 4.120 0.000 0.000 0.310 331 V C -0.777 175.440 176.094 0.206 0.000 1.090 331 V CA -0.926 61.443 62.300 0.114 0.000 0.930 331 V CB 2.048 33.917 31.823 0.077 0.000 1.014 331 V HN 0.372 nan 8.190 nan 0.000 0.425 332 V N 8.638 128.682 119.914 0.216 0.000 2.446 332 V HA 0.265 4.385 4.120 0.000 0.000 0.276 332 V C -1.629 174.518 176.094 0.088 0.000 1.030 332 V CA -1.001 61.392 62.300 0.154 0.000 1.033 332 V CB 0.498 32.369 31.823 0.079 0.000 0.993 332 V HN 0.898 nan 8.190 nan 0.000 0.477 333 P HA -0.050 nan 4.420 nan 0.000 0.270 333 P C -0.501 176.807 177.300 0.014 0.000 1.216 333 P CA -0.101 63.011 63.100 0.021 0.000 0.788 333 P CB 0.606 32.269 31.700 -0.062 0.000 0.883 334 C N 1.384 120.709 119.300 0.043 0.000 2.301 334 C HA 0.261 4.721 4.460 0.000 0.000 0.323 334 C C 0.329 175.355 174.990 0.060 0.000 1.265 334 C CA -0.552 58.499 59.018 0.054 0.000 1.503 334 C CB 0.461 28.250 27.740 0.082 0.000 2.195 334 C HN 0.299 nan 8.230 nan 0.000 0.477 335 V N 5.703 125.651 119.914 0.057 0.000 2.446 335 V HA 0.141 4.261 4.120 0.000 0.000 0.276 335 V C 0.136 176.248 176.094 0.030 0.000 1.030 335 V CA 0.193 62.526 62.300 0.054 0.000 1.033 335 V CB 0.708 32.569 31.823 0.064 0.000 0.993 335 V HN 0.726 nan 8.190 nan 0.000 0.477 336 L N 5.361 126.577 121.223 -0.011 0.000 2.294 336 L HA 0.570 4.910 4.340 0.000 0.000 0.283 336 L C 0.198 177.027 176.870 -0.068 0.000 1.015 336 L CA 0.109 54.967 54.840 0.031 0.000 0.831 336 L CB 1.566 43.714 42.059 0.148 0.000 1.217 336 L HN 0.658 nan 8.230 nan 0.000 0.420 337 S N 4.407 120.094 115.700 -0.022 0.000 2.422 337 S HA 0.561 5.031 4.470 0.000 0.000 0.308 337 S C -0.716 173.851 174.600 -0.055 0.000 1.097 337 S CA -0.511 57.658 58.200 -0.051 0.000 1.099 337 S CB 1.083 64.293 63.200 0.017 0.000 0.976 337 S HN 0.435 nan 8.310 nan 0.000 0.471 338 V N 6.818 126.639 119.914 -0.156 0.000 2.334 338 V HA 0.490 4.610 4.120 0.000 0.000 0.281 338 V C -0.203 175.861 176.094 -0.049 0.000 1.016 338 V CA -0.832 61.374 62.300 -0.157 0.000 0.832 338 V CB 1.312 32.906 31.823 -0.382 0.000 0.999 338 V HN 0.876 nan 8.190 nan 0.000 0.439 339 N N 3.853 122.570 118.700 0.027 0.000 2.448 339 N HA 0.528 5.268 4.740 0.000 0.000 0.279 339 N C -0.345 175.233 175.510 0.113 0.000 1.025 339 N CA -0.146 52.944 53.050 0.066 0.000 0.898 339 N CB 2.360 40.888 38.487 0.068 0.000 1.303 339 N HN 0.737 nan 8.380 nan 0.000 0.495 340 G N 1.419 110.304 108.800 0.143 0.000 2.470 340 G HA2 0.230 4.190 3.960 0.000 0.000 0.320 340 G HA3 0.230 4.190 3.960 0.000 0.000 0.320 340 G C -0.882 174.128 174.900 0.183 0.000 1.245 340 G CA -0.437 44.808 45.100 0.242 0.000 0.935 340 G HN 0.536 nan 8.290 nan 0.000 0.476 341 D N 2.174 122.725 120.400 0.252 0.000 2.317 341 D HA 0.153 4.793 4.640 0.000 0.000 0.252 341 D C 1.428 177.892 176.300 0.273 0.000 1.174 341 D CA -0.359 53.770 54.000 0.216 0.000 0.866 341 D CB 1.047 41.988 40.800 0.235 0.000 1.127 341 D HN 0.142 nan 8.370 nan 0.000 0.467 342 L N 2.908 124.217 121.223 0.142 0.000 2.179 342 L HA -0.047 4.293 4.340 0.000 0.000 0.208 342 L C 1.396 178.382 176.870 0.194 0.000 1.096 342 L CA 0.608 55.528 54.840 0.134 0.000 0.779 342 L CB -0.104 41.937 42.059 -0.031 0.000 0.922 342 L HN 0.496 nan 8.230 nan 0.000 0.443 343 D N 0.061 120.585 120.400 0.206 0.000 2.097 343 D HA -0.195 4.445 4.640 0.000 0.000 0.197 343 D C 2.145 178.655 176.300 0.349 0.000 0.984 343 D CA 1.046 55.221 54.000 0.292 0.000 0.826 343 D CB -0.105 40.928 40.800 0.388 0.000 0.973 343 D HN 0.175 nan 8.370 nan 0.000 0.460 344 R N 0.616 121.310 120.500 0.324 0.000 2.189 344 R HA -0.054 4.286 4.340 0.000 0.000 0.223 344 R C 2.081 178.636 176.300 0.425 0.000 1.092 344 R CA 1.248 57.552 56.100 0.339 0.000 0.989 344 R CB -0.171 30.313 30.300 0.306 0.000 0.876 344 R HN 0.162 nan 8.270 nan 0.000 0.457 345 G N 0.461 109.553 108.800 0.487 0.000 2.456 345 G HA2 -0.225 3.735 3.960 0.000 0.000 0.213 345 G HA3 -0.225 3.735 3.960 0.000 0.000 0.213 345 G C 1.339 176.577 174.900 0.562 0.000 1.215 345 G CA 0.327 45.828 45.100 0.668 0.000 0.805 345 G HN 0.160 nan 8.290 nan 0.000 0.537 346 M N 0.326 120.189 119.600 0.439 0.000 2.146 346 M HA -0.064 4.416 4.480 0.000 0.000 0.256 346 M C 2.435 178.923 176.300 0.313 0.000 1.075 346 M CA 1.303 56.785 55.300 0.304 0.000 1.082 346 M CB -0.510 32.148 32.600 0.097 0.000 1.355 346 M HN 0.262 nan 8.290 nan 0.000 0.402 347 L N -0.568 120.868 121.223 0.356 0.000 2.072 347 L HA -0.156 4.184 4.340 0.000 0.000 0.205 347 L C 2.466 179.554 176.870 0.364 0.000 1.079 347 L CA 1.227 56.290 54.840 0.371 0.000 0.752 347 L CB -0.483 41.791 42.059 0.359 0.000 0.906 347 L HN 0.335 nan 8.230 nan 0.000 0.436 348 A N -0.817 122.148 122.820 0.243 0.000 1.855 348 A HA -0.274 4.046 4.320 0.000 0.000 0.215 348 A C 1.934 179.254 177.584 -0.439 0.000 1.191 348 A CA 1.399 53.209 52.037 -0.378 0.000 0.613 348 A CB -1.090 17.396 19.000 -0.856 0.000 0.829 348 A HN 0.431 nan 8.150 nan 0.000 0.442 349 Y N 0.084 120.357 120.300 -0.044 0.000 2.283 349 Y HA -0.239 4.311 4.550 0.000 0.000 0.285 349 Y C 2.181 178.104 175.900 0.039 0.000 1.176 349 Y CA 1.598 59.725 58.100 0.044 0.000 1.229 349 Y CB -0.424 38.092 38.460 0.093 0.000 0.975 349 Y HN 0.233 nan 8.280 nan 0.000 0.537 350 L N -2.086 119.249 121.223 0.186 0.000 2.005 350 L HA -0.262 4.078 4.340 0.000 0.000 0.207 350 L C 2.046 179.020 176.870 0.174 0.000 1.072 350 L CA 1.404 56.308 54.840 0.106 0.000 0.744 350 L CB -0.647 41.425 42.059 0.023 0.000 0.895 350 L HN 0.218 nan 8.230 nan 0.000 0.433 351 Y N -0.251 120.129 120.300 0.133 0.000 2.207 351 Y HA -0.331 4.219 4.550 0.000 0.000 0.287 351 Y C 2.252 178.271 175.900 0.199 0.000 1.156 351 Y CA 1.542 59.778 58.100 0.227 0.000 1.182 351 Y CB -0.226 38.420 38.460 0.309 0.000 0.979 351 Y HN 0.268 nan 8.280 nan 0.000 0.521 352 D N -0.474 120.101 120.400 0.292 0.000 2.351 352 D HA -0.118 4.522 4.640 0.000 0.000 0.216 352 D C 1.213 177.633 176.300 0.200 0.000 0.968 352 D CA 1.063 55.195 54.000 0.220 0.000 0.899 352 D CB -0.081 40.818 40.800 0.165 0.000 0.907 352 D HN 0.207 nan 8.370 nan 0.000 0.514 353 S N -0.845 114.980 115.700 0.210 0.000 2.506 353 S HA 0.308 4.778 4.470 0.000 0.000 0.245 353 S C -0.251 174.518 174.600 0.282 0.000 1.088 353 S CA -0.933 57.382 58.200 0.192 0.000 1.099 353 S CB -0.305 62.976 63.200 0.135 0.000 0.805 353 S HN 0.109 nan 8.310 nan 0.000 0.461 354 F N 0.505 120.487 119.950 0.054 0.000 2.779 354 F HA 0.587 5.114 4.527 0.000 0.000 0.316 354 F C -1.244 174.581 175.800 0.043 0.000 1.164 354 F CA -0.862 57.158 58.000 0.034 0.000 0.924 354 F CB 1.075 40.074 39.000 -0.003 0.000 1.348 354 F HN 0.046 nan 8.300 nan 0.000 0.467 370 K N 0.621 121.130 120.400 0.182 0.000 3.934 370 K HA 0.330 4.650 4.320 0.000 0.000 0.239 370 K C -0.159 176.636 176.600 0.325 0.000 1.230 370 K CA 0.545 57.010 56.287 0.297 0.000 1.588 370 K CB -0.480 32.092 32.500 0.120 0.000 2.333 370 K HN 0.408 nan 8.250 nan 0.000 0.482 371 V N 1.494 121.507 119.914 0.164 0.000 3.584 371 V HA -0.219 3.901 4.120 0.000 0.000 0.512 371 V C -1.131 175.065 176.094 0.170 0.000 0.682 371 V CA 0.056 62.440 62.300 0.140 0.000 2.064 371 V CB -0.184 31.712 31.823 0.123 0.000 2.486 371 V HN 0.395 nan 8.190 nan 0.000 0.511 372 L N 7.657 128.944 121.223 0.106 0.000 2.353 372 L HA 0.419 4.759 4.340 0.000 0.000 0.269 372 L C 0.770 177.703 176.870 0.105 0.000 1.085 372 L CA -0.067 54.836 54.840 0.104 0.000 0.938 372 L CB 0.791 42.906 42.059 0.094 0.000 1.312 372 L HN 0.562 nan 8.230 nan 0.000 0.429 373 K N 4.207 124.680 120.400 0.121 0.000 2.054 373 K HA 0.222 4.542 4.320 0.000 0.000 0.242 373 K C -0.481 176.176 176.600 0.094 0.000 1.157 373 K CA 0.130 56.470 56.287 0.088 0.000 1.079 373 K CB 0.061 32.612 32.500 0.085 0.000 1.331 373 K HN 0.488 nan 8.250 nan 0.000 0.317 374 L N 2.021 123.292 121.223 0.079 0.000 2.325 374 L HA 0.182 4.522 4.340 0.000 0.000 0.279 374 L C 0.693 177.620 176.870 0.095 0.000 1.054 374 L CA -0.927 53.968 54.840 0.092 0.000 0.804 374 L CB 0.903 42.994 42.059 0.055 0.000 1.200 374 L HN 0.538 nan 8.230 nan 0.000 0.436 375 H N 4.835 123.923 119.070 0.031 0.000 3.046 375 H HA 0.024 4.580 4.556 0.000 0.000 0.303 375 H C -1.904 173.381 175.328 -0.071 0.000 1.002 375 H CA -1.525 54.532 56.048 0.015 0.000 1.460 375 H CB 1.259 31.067 29.762 0.077 0.000 1.493 375 H HN 0.347 nan 8.280 nan 0.000 0.559 376 P HA -0.298 nan 4.420 nan 0.000 0.216 376 P C 1.572 178.928 177.300 0.095 0.000 1.151 376 P CA 2.491 65.686 63.100 0.157 0.000 0.953 376 P CB -0.143 31.644 31.700 0.145 0.000 0.789 377 C N -2.612 116.749 119.300 0.101 0.000 2.397 377 C HA -0.122 4.338 4.460 0.000 0.000 0.286 377 C C 2.588 177.397 174.990 -0.301 0.000 1.308 377 C CA 0.517 59.454 59.018 -0.135 0.000 1.805 377 C CB -2.052 25.538 27.740 -0.250 0.000 1.952 377 C HN 0.222 nan 8.230 nan 0.000 0.518 378 L N 0.600 121.611 121.223 -0.352 0.000 2.221 378 L HA 0.342 4.682 4.340 0.000 0.000 0.202 378 L C 1.819 178.584 176.870 -0.174 0.000 1.074 378 L CA 0.807 55.408 54.840 -0.398 0.000 0.795 378 L CB -1.442 40.282 42.059 -0.557 0.000 0.960 378 L HN 0.228 nan 8.230 nan 0.000 0.458 379 A N 1.588 124.364 122.820 -0.072 0.000 2.622 379 A HA -0.061 4.259 4.320 0.000 0.000 0.236 379 A C -1.199 176.405 177.584 0.033 0.000 1.003 379 A CA 0.083 52.126 52.037 0.010 0.000 0.781 379 A CB -0.691 18.327 19.000 0.029 0.000 0.902 379 A HN 0.303 nan 8.150 nan 0.000 0.496 380 P HA -0.015 nan 4.420 nan 0.000 0.219 380 P C 0.320 177.677 177.300 0.094 0.000 1.150 380 P CA 1.633 64.814 63.100 0.135 0.000 0.814 380 P CB -0.324 31.549 31.700 0.288 0.000 0.787 381 I N -6.632 113.990 120.570 0.086 0.000 2.722 381 I HA 0.484 4.654 4.170 0.000 0.000 0.292 381 I C 0.372 176.522 176.117 0.055 0.000 1.267 381 I CA -1.232 60.115 61.300 0.078 0.000 1.036 381 I CB 2.188 40.256 38.000 0.114 0.000 1.281 381 I HN -0.471 nan 8.210 nan 0.000 0.423 382 K N 3.150 123.584 120.400 0.058 0.000 1.979 382 K HA 0.262 4.582 4.320 0.000 0.000 0.213 382 K C 0.372 177.005 176.600 0.055 0.000 1.036 382 K CA 1.351 57.669 56.287 0.051 0.000 0.954 382 K CB -0.107 32.431 32.500 0.063 0.000 0.743 382 K HN 0.498 nan 8.250 nan 0.000 0.443 383 V N -1.024 118.943 119.914 0.090 0.000 3.019 383 V HA 0.769 4.889 4.120 0.000 0.000 0.317 383 V C -1.684 174.464 176.094 0.090 0.000 1.094 383 V CA -0.770 61.598 62.300 0.113 0.000 1.000 383 V CB 1.861 33.782 31.823 0.162 0.000 1.060 383 V HN 0.337 nan 8.190 nan 0.000 0.443 384 A N 5.330 128.187 122.820 0.062 0.000 2.398 384 A HA 0.813 5.133 4.320 0.000 0.000 0.301 384 A C -1.094 176.598 177.584 0.179 0.000 1.041 384 A CA -0.567 51.494 52.037 0.040 0.000 0.711 384 A CB 1.339 20.075 19.000 -0.440 0.000 1.240 384 A HN 1.504 nan 8.150 nan 0.000 0.420 385 L N -0.331 121.033 121.223 0.235 0.000 2.341 385 L HA 0.911 5.251 4.340 0.000 0.000 0.267 385 L C -0.921 176.137 176.870 0.313 0.000 1.009 385 L CA -0.710 54.298 54.840 0.281 0.000 0.819 385 L CB 2.019 44.240 42.059 0.270 0.000 1.323 385 L HN 0.600 nan 8.230 nan 0.000 0.425 386 D N 0.606 121.180 120.400 0.290 0.000 3.816 386 D HA 0.668 5.308 4.640 0.000 0.000 0.272 386 D C -1.353 175.064 176.300 0.195 0.000 1.509 386 D CA 0.313 54.467 54.000 0.257 0.000 1.003 386 D CB 2.383 43.308 40.800 0.208 0.000 1.333 386 D HN 0.562 nan 8.370 nan 0.000 0.648 387 V N -0.987 119.007 119.914 0.133 0.000 2.932 387 V HA 0.879 4.999 4.120 0.000 0.000 0.307 387 V C 0.086 176.217 176.094 0.061 0.000 1.147 387 V CA -0.714 61.643 62.300 0.095 0.000 0.951 387 V CB 1.252 33.124 31.823 0.080 0.000 1.031 387 V HN 0.584 nan 8.190 nan 0.000 0.426 388 G N 1.754 110.593 108.800 0.065 0.000 3.075 388 G HA2 0.549 4.509 3.960 0.000 0.000 0.253 388 G HA3 0.549 4.509 3.960 0.000 0.000 0.253 388 G C 0.196 175.119 174.900 0.039 0.000 1.353 388 G CA -0.955 44.172 45.100 0.044 0.000 1.051 388 G HN 1.131 nan 8.290 nan 0.000 0.553 389 R N 0.173 120.692 120.500 0.031 0.000 4.227 389 R HA 0.018 4.358 4.340 0.000 0.000 0.139 389 R C 0.077 176.394 176.300 0.029 0.000 0.878 389 R CA 0.567 56.682 56.100 0.026 0.000 0.934 389 R CB -1.900 28.416 30.300 0.026 0.000 1.182 389 R HN 0.669 nan 8.270 nan 0.000 0.458 390 G N 1.266 110.081 108.800 0.026 0.000 2.658 390 G HA2 0.565 4.525 3.960 0.000 0.000 0.292 390 G HA3 0.565 4.525 3.960 0.000 0.000 0.292 390 G C -2.072 172.836 174.900 0.013 0.000 1.320 390 G CA -1.154 43.959 45.100 0.021 0.000 0.933 390 G HN 0.201 nan 8.290 nan 0.000 0.476 391 P HA 0.210 nan 4.420 nan 0.000 0.200 391 P C 0.482 177.784 177.300 0.004 0.000 1.048 391 P CA 1.375 64.477 63.100 0.004 0.000 0.734 391 P CB 0.590 32.291 31.700 0.000 0.000 0.648 392 T N -2.061 112.491 114.554 -0.003 0.000 3.466 392 T HA 0.059 4.409 4.350 0.000 0.000 0.129 392 T C 1.399 176.087 174.700 -0.020 0.000 0.752 392 T CA 0.029 62.126 62.100 -0.006 0.000 0.777 392 T CB -1.209 67.659 68.868 -0.001 0.000 1.036 392 T HN 0.024 nan 8.240 nan 0.000 0.252 393 L N 2.060 123.272 121.223 -0.019 0.000 2.059 393 L HA -0.325 4.015 4.340 0.000 0.000 0.242 393 L C 2.511 179.356 176.870 -0.041 0.000 1.107 393 L CA 2.272 57.095 54.840 -0.027 0.000 0.836 393 L CB -0.342 41.706 42.059 -0.019 0.000 0.933 393 L HN 0.378 nan 8.230 nan 0.000 0.446 394 E N -0.185 119.996 120.200 -0.032 0.000 2.108 394 E HA -0.276 4.074 4.350 0.000 0.000 0.203 394 E C 2.184 178.753 176.600 -0.051 0.000 1.022 394 E CA 1.663 58.042 56.400 -0.035 0.000 0.823 394 E CB -0.653 29.034 29.700 -0.022 0.000 0.744 394 E HN 0.463 nan 8.360 nan 0.000 0.456 395 L N 0.708 121.904 121.223 -0.046 0.000 1.933 395 L HA -0.190 4.150 4.340 0.000 0.000 0.220 395 L C 2.080 178.872 176.870 -0.129 0.000 1.078 395 L CA 1.851 56.657 54.840 -0.057 0.000 0.773 395 L CB -1.344 40.700 42.059 -0.026 0.000 0.890 395 L HN 0.285 nan 8.230 nan 0.000 0.434 396 R N 0.131 120.541 120.500 -0.151 0.000 4.624 396 R HA 0.018 4.358 4.340 0.000 0.000 0.214 396 R C 0.811 176.979 176.300 -0.220 0.000 2.026 396 R CA 0.140 56.064 56.100 -0.294 0.000 1.676 396 R CB 0.205 30.385 30.300 -0.200 0.000 1.291 396 R HN 0.479 nan 8.270 nan 0.000 0.739 397 Q N 0.009 119.709 119.800 -0.168 0.000 2.474 397 Q HA 0.003 4.343 4.340 0.000 0.000 0.191 397 Q C 1.917 177.855 176.000 -0.103 0.000 0.700 397 Q CA 0.729 56.469 55.803 -0.105 0.000 0.849 397 Q CB -0.344 28.356 28.738 -0.064 0.000 1.232 397 Q HN 0.251 nan 8.270 nan 0.000 0.563 398 V N 1.145 121.007 119.914 -0.086 0.000 2.490 398 V HA -0.242 3.878 4.120 0.000 0.000 0.250 398 V C 2.152 178.197 176.094 -0.083 0.000 1.061 398 V CA 1.934 64.199 62.300 -0.059 0.000 1.064 398 V CB -0.473 31.326 31.823 -0.040 0.000 0.670 398 V HN 0.456 nan 8.190 nan 0.000 0.461 399 C N 0.039 119.229 119.300 -0.182 0.000 2.413 399 C HA -0.215 4.245 4.460 0.000 0.000 0.278 399 C C 2.714 177.557 174.990 -0.246 0.000 1.224 399 C CA 1.809 60.639 59.018 -0.313 0.000 1.732 399 C CB -1.186 26.084 27.740 -0.784 0.000 2.050 399 C HN 0.693 nan 8.230 nan 0.000 0.463 400 Q N -0.056 119.571 119.800 -0.287 0.000 2.062 400 Q HA -0.194 4.146 4.340 0.000 0.000 0.209 400 Q C 2.407 178.463 176.000 0.094 0.000 0.996 400 Q CA 2.093 57.880 55.803 -0.028 0.000 0.859 400 Q CB -0.694 28.030 28.738 -0.023 0.000 0.920 400 Q HN 0.818 nan 8.270 nan 0.000 0.415 401 G N 1.086 109.902 108.800 0.026 0.000 2.513 401 G HA2 -0.272 3.688 3.960 0.000 0.000 0.219 401 G HA3 -0.272 3.688 3.960 0.000 0.000 0.219 401 G C 1.398 176.342 174.900 0.074 0.000 1.160 401 G CA 1.035 46.160 45.100 0.042 0.000 0.767 401 G HN 0.190 nan 8.290 nan 0.000 0.571 402 L N -0.941 120.335 121.223 0.088 0.000 2.027 402 L HA -0.004 4.336 4.340 0.000 0.000 0.206 402 L C 2.596 179.588 176.870 0.204 0.000 1.074 402 L CA 1.139 56.053 54.840 0.123 0.000 0.745 402 L CB -0.714 41.419 42.059 0.123 0.000 0.898 402 L HN 0.193 nan 8.230 nan 0.000 0.433 403 F N 2.124 122.135 119.950 0.101 0.000 2.085 403 F HA -0.316 4.211 4.527 0.000 0.000 0.299 403 F C 2.188 178.029 175.800 0.069 0.000 1.096 403 F CA 2.104 60.182 58.000 0.129 0.000 1.227 403 F CB -0.573 38.554 39.000 0.212 0.000 0.983 403 F HN 0.137 nan 8.300 nan 0.000 0.482 404 N N 0.219 118.953 118.700 0.058 0.000 2.142 404 N HA -0.160 4.580 4.740 0.000 0.000 0.186 404 N C 1.894 177.368 175.510 -0.059 0.000 1.023 404 N CA 1.332 54.330 53.050 -0.087 0.000 0.852 404 N CB -0.524 37.960 38.487 -0.005 0.000 0.998 404 N HN 0.526 nan 8.380 nan 0.000 0.424 405 E N 0.285 120.489 120.200 0.007 0.000 2.070 405 E HA -0.182 4.168 4.350 0.000 0.000 0.197 405 E C 1.431 178.031 176.600 -0.001 0.000 1.004 405 E CA 0.897 57.304 56.400 0.012 0.000 0.805 405 E CB 0.054 29.777 29.700 0.039 0.000 0.744 405 E HN 0.138 nan 8.360 nan 0.000 0.451 406 L N 0.586 121.813 121.223 0.006 0.000 1.961 406 L HA -0.196 4.144 4.340 0.000 0.000 0.210 406 L C 2.672 179.512 176.870 -0.049 0.000 1.072 406 L CA 1.448 56.290 54.840 0.003 0.000 0.749 406 L CB -1.459 40.629 42.059 0.048 0.000 0.889 406 L HN 0.351 nan 8.230 nan 0.000 0.432 407 L N -0.656 120.482 121.223 -0.141 0.000 2.043 407 L HA -0.242 4.098 4.340 0.000 0.000 0.212 407 L C 2.678 179.483 176.870 -0.109 0.000 1.075 407 L CA 1.104 55.842 54.840 -0.170 0.000 0.752 407 L CB -0.677 41.178 42.059 -0.340 0.000 0.891 407 L HN 0.346 nan 8.230 nan 0.000 0.432 408 E N 0.688 120.827 120.200 -0.102 0.000 2.055 408 E HA -0.260 4.090 4.350 0.000 0.000 0.209 408 E C 1.627 178.208 176.600 -0.033 0.000 1.036 408 E CA 1.608 57.972 56.400 -0.059 0.000 0.849 408 E CB -0.484 29.192 29.700 -0.039 0.000 0.767 408 E HN 0.561 nan 8.360 nan 0.000 0.461 409 N N 0.189 118.878 118.700 -0.018 0.000 2.567 409 N HA -0.007 4.733 4.740 0.000 0.000 0.195 409 N C 0.303 175.815 175.510 0.003 0.000 1.242 409 N CA 0.857 53.908 53.050 0.002 0.000 0.884 409 N CB 0.315 38.812 38.487 0.017 0.000 1.007 409 N HN 0.238 nan 8.380 nan 0.000 0.450 410 G N 1.625 110.417 108.800 -0.014 0.000 2.415 410 G HA2 -0.206 3.754 3.960 0.000 0.000 0.283 410 G HA3 -0.206 3.754 3.960 0.000 0.000 0.283 410 G C -0.541 174.361 174.900 0.004 0.000 1.014 410 G CA -0.249 44.845 45.100 -0.009 0.000 1.323 410 G HN 0.218 nan 8.290 nan 0.000 0.502 411 I N 0.645 121.214 120.570 -0.002 0.000 2.607 411 I HA 0.355 4.525 4.170 0.000 0.000 0.290 411 I C 0.633 176.762 176.117 0.020 0.000 1.129 411 I CA -1.062 60.251 61.300 0.021 0.000 1.042 411 I CB 1.695 39.718 38.000 0.037 0.000 1.242 411 I HN 0.542 nan 8.210 nan 0.000 0.421 412 S N 5.069 120.792 115.700 0.038 0.000 2.505 412 S HA 0.650 5.120 4.470 0.000 0.000 0.276 412 S C -0.279 174.383 174.600 0.103 0.000 1.274 412 S CA -0.542 57.692 58.200 0.056 0.000 1.053 412 S CB 1.180 64.416 63.200 0.059 0.000 0.919 412 S HN 0.357 nan 8.310 nan 0.000 0.490 413 V N 4.418 124.422 119.914 0.149 0.000 2.588 413 V HA 0.406 4.526 4.120 0.000 0.000 0.304 413 V C -0.622 175.618 176.094 0.244 0.000 1.042 413 V CA -0.872 61.569 62.300 0.234 0.000 0.877 413 V CB 1.827 33.854 31.823 0.341 0.000 0.996 413 V HN 1.024 nan 8.190 nan 0.000 0.425 414 W N 8.091 129.385 121.300 -0.009 0.000 2.332 414 W HA 0.381 5.041 4.660 0.000 0.000 0.306 414 W C -2.253 174.122 176.519 -0.239 0.000 1.149 414 W CA -2.562 54.707 57.345 -0.128 0.000 1.271 414 W CB 2.033 31.356 29.460 -0.228 0.000 1.243 414 W HN 0.425 nan 8.180 nan 0.000 0.459 415 P HA 0.042 nan 4.420 nan 0.000 0.228 415 P C 1.204 177.962 177.300 -0.904 0.000 1.748 415 P CA 0.329 62.710 63.100 -1.199 0.000 0.909 415 P CB -0.328 30.452 31.700 -1.533 0.000 1.882 416 G N 1.874 110.577 108.800 -0.162 0.000 2.507 416 G HA2 -0.324 3.636 3.960 0.000 0.000 0.221 416 G HA3 -0.324 3.636 3.960 0.000 0.000 0.221 416 G C 1.160 176.069 174.900 0.015 0.000 1.119 416 G CA 0.673 45.901 45.100 0.214 0.000 0.751 416 G HN 0.418 nan 8.290 nan 0.000 0.574 417 Y N 0.143 120.471 120.300 0.045 0.000 2.651 417 Y HA 0.137 4.687 4.550 0.000 0.000 0.293 417 Y C 1.908 177.789 175.900 -0.031 0.000 1.151 417 Y CA 0.127 58.230 58.100 0.006 0.000 1.362 417 Y CB -0.559 37.890 38.460 -0.018 0.000 0.973 417 Y HN 0.181 nan 8.280 nan 0.000 0.561 418 L N -0.108 121.060 121.223 -0.093 0.000 2.567 418 L HA 0.137 4.477 4.340 0.000 0.000 0.225 418 L C 1.116 177.981 176.870 -0.008 0.000 1.119 418 L CA 0.052 54.877 54.840 -0.026 0.000 0.871 418 L CB -0.176 41.764 42.059 -0.198 0.000 1.036 418 L HN 0.142 nan 8.230 nan 0.000 0.459 419 E N -0.000 120.209 120.200 0.016 0.000 2.421 419 E HA 0.021 4.371 4.350 0.000 0.000 0.253 419 E C 0.937 177.558 176.600 0.034 0.000 1.277 419 E CA 0.215 56.638 56.400 0.038 0.000 0.968 419 E CB 0.757 30.504 29.700 0.078 0.000 1.040 419 E HN -0.024 nan 8.360 nan 0.000 0.512 420 T N 0.144 114.713 114.554 0.024 0.000 5.825 420 T HA -0.036 4.314 4.350 0.000 0.000 0.383 420 T C 1.670 176.376 174.700 0.011 0.000 0.920 420 T CA 1.223 63.332 62.100 0.014 0.000 0.947 420 T CB -0.325 68.547 68.868 0.007 0.000 1.292 420 T HN 0.560 nan 8.240 nan 0.000 0.356 421 M N 0.760 120.360 119.600 -0.000 0.000 5.088 421 M HA -0.115 4.365 4.480 0.000 0.000 0.337 421 M C 1.981 178.272 176.300 -0.015 0.000 1.056 421 M CA 2.359 57.654 55.300 -0.008 0.000 1.056 421 M CB -0.753 31.837 32.600 -0.016 0.000 1.061 421 M HN 0.748 nan 8.290 nan 0.000 0.822 422 Q N -1.948 117.831 119.800 -0.034 0.000 2.225 422 Q HA 0.251 4.591 4.340 0.000 0.000 0.230 422 Q C 0.118 176.062 176.000 -0.093 0.000 0.729 422 Q CA 0.376 56.144 55.803 -0.060 0.000 0.918 422 Q CB 0.628 29.331 28.738 -0.058 0.000 1.262 422 Q HN 0.764 nan 8.270 nan 0.000 0.473 423 S N 1.420 117.074 115.700 -0.077 0.000 3.706 423 S HA -0.250 4.220 4.470 0.000 0.000 0.363 423 S C 0.505 175.033 174.600 -0.120 0.000 0.999 423 S CA 1.198 59.344 58.200 -0.090 0.000 1.143 423 S CB -2.682 60.456 63.200 -0.103 0.000 0.902 423 S HN 1.341 nan 8.310 nan 0.000 0.476 424 S N 0.320 115.958 115.700 -0.104 0.000 4.116 424 S HA -0.312 4.158 4.470 0.000 0.000 0.623 424 S C 0.650 175.137 174.600 -0.187 0.000 1.933 424 S CA 1.084 59.215 58.200 -0.116 0.000 4.224 424 S CB -1.116 62.025 63.200 -0.098 0.000 0.208 424 S HN 1.183 nan 8.310 nan 0.000 0.527 425 L N -0.582 120.493 121.223 -0.247 0.000 3.705 425 L HA 0.239 4.579 4.340 0.000 0.000 0.382 425 L C 2.013 178.600 176.870 -0.473 0.000 0.971 425 L CA 0.577 55.132 54.840 -0.474 0.000 1.566 425 L CB -0.360 41.446 42.059 -0.421 0.000 2.300 425 L HN 0.497 nan 8.230 nan 0.000 0.609 426 E N 0.948 121.038 120.200 -0.183 0.000 2.028 426 E HA -0.137 4.213 4.350 0.000 0.000 0.190 426 E C 1.907 178.466 176.600 -0.069 0.000 0.984 426 E CA 1.385 57.763 56.400 -0.037 0.000 0.800 426 E CB -0.062 29.637 29.700 -0.002 0.000 0.758 426 E HN 0.379 nan 8.360 nan 0.000 0.448 427 Q N 0.004 119.739 119.800 -0.107 0.000 2.077 427 Q HA -0.200 4.140 4.340 0.000 0.000 0.206 427 Q C 2.186 178.083 176.000 -0.173 0.000 0.989 427 Q CA 1.360 57.098 55.803 -0.108 0.000 0.853 427 Q CB -0.361 28.314 28.738 -0.106 0.000 0.907 427 Q HN 0.163 nan 8.270 nan 0.000 0.418 428 L N -0.097 120.951 121.223 -0.291 0.000 2.012 428 L HA -0.198 4.142 4.340 0.000 0.000 0.210 428 L C 2.045 178.627 176.870 -0.481 0.000 1.073 428 L CA 1.795 56.337 54.840 -0.495 0.000 0.748 428 L CB -0.707 40.993 42.059 -0.598 0.000 0.891 428 L HN 0.248 nan 8.230 nan 0.000 0.431 429 Y N -1.842 118.304 120.300 -0.258 0.000 2.224 429 Y HA -0.212 4.338 4.550 0.000 0.000 0.289 429 Y C 2.594 178.453 175.900 -0.067 0.000 1.146 429 Y CA 0.960 58.980 58.100 -0.134 0.000 1.182 429 Y CB -0.193 38.234 38.460 -0.054 0.000 0.983 429 Y HN 0.192 nan 8.280 nan 0.000 0.524 430 S N -0.121 115.632 115.700 0.088 0.000 2.786 430 S HA -0.039 4.431 4.470 0.000 0.000 0.223 430 S C 1.481 176.093 174.600 0.020 0.000 0.956 430 S CA 0.556 58.791 58.200 0.057 0.000 0.961 430 S CB -0.275 62.949 63.200 0.041 0.000 0.784 430 S HN 0.567 nan 8.310 nan 0.000 0.519 431 K N -1.554 118.845 120.400 -0.001 0.000 2.412 431 K HA 0.143 4.463 4.320 0.000 0.000 0.201 431 K C 1.147 177.803 176.600 0.093 0.000 1.275 431 K CA -0.002 56.281 56.287 -0.006 0.000 0.910 431 K CB -0.594 31.860 32.500 -0.076 0.000 1.346 431 K HN 0.124 nan 8.250 nan 0.000 0.490 432 Y N 3.115 123.370 120.300 -0.075 0.000 2.207 432 Y HA -0.163 4.387 4.550 0.000 0.000 0.287 432 Y C 1.777 177.661 175.900 -0.026 0.000 1.156 432 Y CA 1.219 59.273 58.100 -0.077 0.000 1.182 432 Y CB -0.512 37.953 38.460 0.008 0.000 0.979 432 Y HN 0.247 nan 8.280 nan 0.000 0.521 433 D N -0.290 120.217 120.400 0.178 0.000 2.149 433 D HA -0.113 4.527 4.640 0.000 0.000 0.201 433 D C 1.433 177.781 176.300 0.081 0.000 0.972 433 D CA 0.831 54.896 54.000 0.109 0.000 0.835 433 D CB -0.161 40.696 40.800 0.095 0.000 0.966 433 D HN 0.466 nan 8.370 nan 0.000 0.476 434 E N -0.465 119.771 120.200 0.060 0.000 2.526 434 E HA 0.022 4.372 4.350 0.000 0.000 0.198 434 E C 1.201 177.826 176.600 0.041 0.000 1.091 434 E CA 0.172 56.586 56.400 0.024 0.000 0.880 434 E CB 0.173 29.869 29.700 -0.007 0.000 0.873 434 E HN 0.279 nan 8.360 nan 0.000 0.527 435 M N -1.141 118.488 119.600 0.049 0.000 2.260 435 M HA 0.053 4.533 4.480 0.000 0.000 0.326 435 M C 0.205 176.588 176.300 0.139 0.000 0.930 435 M CA -0.090 55.217 55.300 0.010 0.000 1.051 435 M CB 1.257 33.752 32.600 -0.174 0.000 1.748 435 M HN -0.136 nan 8.290 nan 0.000 0.606 436 S N 2.416 118.188 115.700 0.121 0.000 3.634 436 S HA -0.093 4.377 4.470 0.000 0.000 0.501 436 S C -0.731 173.898 174.600 0.048 0.000 0.789 436 S CA 0.091 58.353 58.200 0.103 0.000 1.378 436 S CB -0.748 62.548 63.200 0.159 0.000 0.896 436 S HN 0.374 nan 8.310 nan 0.000 0.703 437 I N 6.051 126.622 120.570 0.001 0.000 2.555 437 I HA 0.211 4.381 4.170 0.000 0.000 0.275 437 I C 1.669 177.754 176.117 -0.055 0.000 1.082 437 I CA -0.763 60.511 61.300 -0.043 0.000 1.167 437 I CB 0.135 38.056 38.000 -0.132 0.000 1.312 437 I HN 0.576 nan 8.210 nan 0.000 0.493 438 L N 3.091 124.251 121.223 -0.105 0.000 2.184 438 L HA -0.279 4.061 4.340 0.000 0.000 0.236 438 L C 0.381 176.964 176.870 -0.478 0.000 1.120 438 L CA 2.344 57.001 54.840 -0.305 0.000 0.844 438 L CB -0.555 41.319 42.059 -0.308 0.000 0.932 438 L HN 0.277 nan 8.230 nan 0.000 0.450 439 F N -1.948 117.962 119.950 -0.065 0.000 2.611 439 F HA 0.420 4.947 4.527 0.000 0.000 0.324 439 F C 0.042 175.870 175.800 0.048 0.000 1.061 439 F CA -0.962 57.021 58.000 -0.029 0.000 0.954 439 F CB 1.973 40.940 39.000 -0.055 0.000 1.301 439 F HN -0.393 nan 8.300 nan 0.000 0.482 440 T N 2.054 116.846 114.554 0.396 0.000 2.985 440 T HA 0.508 4.858 4.350 0.000 0.000 0.315 440 T C -1.154 173.747 174.700 0.334 0.000 1.001 440 T CA -0.648 61.683 62.100 0.385 0.000 1.016 440 T CB 0.787 69.976 68.868 0.535 0.000 0.993 440 T HN 0.460 nan 8.240 nan 0.000 0.454 441 V N 2.467 122.547 119.914 0.277 0.000 2.394 441 V HA 0.709 4.829 4.120 0.000 0.000 0.282 441 V C -0.351 175.892 176.094 0.248 0.000 1.031 441 V CA -0.945 61.489 62.300 0.222 0.000 0.881 441 V CB 1.110 33.024 31.823 0.153 0.000 0.982 441 V HN 0.749 nan 8.190 nan 0.000 0.451 442 L N 4.866 126.248 121.223 0.265 0.000 2.322 442 L HA 0.644 4.984 4.340 0.000 0.000 0.281 442 L C -0.524 176.496 176.870 0.250 0.000 1.014 442 L CA -0.729 54.261 54.840 0.250 0.000 0.815 442 L CB 2.094 44.283 42.059 0.217 0.000 1.247 442 L HN 0.527 nan 8.230 nan 0.000 0.421 443 V N 2.320 122.336 119.914 0.171 0.000 2.417 443 V HA 0.528 4.648 4.120 0.000 0.000 0.291 443 V C 0.177 176.333 176.094 0.103 0.000 1.024 443 V CA -0.267 62.100 62.300 0.111 0.000 0.861 443 V CB 2.190 34.056 31.823 0.071 0.000 0.985 443 V HN 0.902 nan 8.190 nan 0.000 0.436 444 T N 1.118 115.730 114.554 0.097 0.000 2.930 444 T HA 0.356 4.706 4.350 0.000 0.000 0.290 444 T C 0.965 175.690 174.700 0.042 0.000 1.052 444 T CA -0.290 61.859 62.100 0.083 0.000 1.017 444 T CB 1.755 70.700 68.868 0.128 0.000 1.137 444 T HN 0.658 nan 8.240 nan 0.000 0.511 445 E N 0.840 121.059 120.200 0.032 0.000 2.284 445 E HA -0.208 4.142 4.350 0.000 0.000 0.200 445 E C 1.460 178.068 176.600 0.013 0.000 1.008 445 E CA 1.963 58.373 56.400 0.017 0.000 0.829 445 E CB -0.899 28.810 29.700 0.015 0.000 0.744 445 E HN 0.757 nan 8.360 nan 0.000 0.491 446 T N -0.064 114.503 114.554 0.021 0.000 3.155 446 T HA -0.036 4.314 4.350 0.000 0.000 0.264 446 T C 1.240 175.933 174.700 -0.011 0.000 1.160 446 T CA 1.590 63.698 62.100 0.012 0.000 1.075 446 T CB -0.198 68.689 68.868 0.032 0.000 0.921 446 T HN 0.352 nan 8.240 nan 0.000 0.533 447 T N 2.267 116.811 114.554 -0.016 0.000 2.814 447 T HA 0.100 4.450 4.350 0.000 0.000 0.254 447 T C 1.830 176.519 174.700 -0.018 0.000 1.037 447 T CA 0.932 63.015 62.100 -0.029 0.000 1.143 447 T CB -0.380 68.472 68.868 -0.027 0.000 0.866 447 T HN 0.470 nan 8.240 nan 0.000 0.431 448 L N 1.671 122.886 121.223 -0.012 0.000 2.456 448 L HA -0.062 4.278 4.340 0.000 0.000 0.225 448 L C 1.584 178.447 176.870 -0.010 0.000 1.142 448 L CA 1.318 56.152 54.840 -0.011 0.000 0.796 448 L CB -1.256 40.797 42.059 -0.010 0.000 0.920 448 L HN 0.460 nan 8.230 nan 0.000 0.446 449 E N 0.450 120.644 120.200 -0.010 0.000 2.496 449 E HA 0.123 4.473 4.350 0.000 0.000 0.200 449 E C 0.152 176.744 176.600 -0.013 0.000 1.016 449 E CA 0.205 56.599 56.400 -0.010 0.000 0.962 449 E CB 0.056 29.753 29.700 -0.006 0.000 1.071 449 E HN 0.723 nan 8.360 nan 0.000 0.457 450 N N -0.215 118.476 118.700 -0.015 0.000 2.576 450 N HA -0.039 4.701 4.740 0.000 0.000 0.322 450 N C 0.916 176.417 175.510 -0.015 0.000 0.629 450 N CA 0.552 53.590 53.050 -0.019 0.000 1.300 450 N CB 0.104 38.579 38.487 -0.021 0.000 1.918 450 N HN 0.182 nan 8.380 nan 0.000 1.665 451 G N 0.276 109.069 108.800 -0.012 0.000 3.034 451 G HA2 0.140 4.100 3.960 0.000 0.000 0.222 451 G HA3 0.140 4.100 3.960 0.000 0.000 0.222 451 G C -1.348 173.553 174.900 0.003 0.000 0.980 451 G CA -0.328 44.773 45.100 0.001 0.000 1.008 451 G HN 0.235 nan 8.290 nan 0.000 0.632 452 L N 1.942 123.143 121.223 -0.036 0.000 2.265 452 L HA 0.731 5.071 4.340 0.000 0.000 0.289 452 L C 0.423 177.149 176.870 -0.240 0.000 1.033 452 L CA -0.536 54.247 54.840 -0.094 0.000 0.814 452 L CB 0.637 42.650 42.059 -0.076 0.000 1.203 452 L HN 0.426 nan 8.230 nan 0.000 0.423 453 I N 0.915 121.306 120.570 -0.298 0.000 3.322 453 I HA 0.734 4.904 4.170 0.000 0.000 0.313 453 I C -1.142 174.696 176.117 -0.465 0.000 1.129 453 I CA -0.588 60.474 61.300 -0.398 0.000 0.963 453 I CB 2.307 40.242 38.000 -0.107 0.000 1.273 453 I HN 0.516 nan 8.210 nan 0.000 0.473 454 H N 1.508 120.584 119.070 0.009 0.000 2.954 454 H HA 0.731 5.287 4.556 0.000 0.000 0.361 454 H C -1.100 174.237 175.328 0.015 0.000 1.122 454 H CA -1.276 54.767 56.048 -0.008 0.000 1.217 454 H CB 0.689 30.459 29.762 0.013 0.000 1.776 454 H HN 0.920 nan 8.280 nan 0.000 0.533 455 L N -0.363 120.916 121.223 0.094 0.000 2.334 455 L HA 0.777 5.117 4.340 0.000 0.000 0.272 455 L C -0.083 176.845 176.870 0.097 0.000 1.020 455 L CA -1.115 53.761 54.840 0.060 0.000 0.812 455 L CB 2.461 44.420 42.059 -0.167 0.000 1.264 455 L HN 0.592 nan 8.230 nan 0.000 0.439 456 R N 1.797 122.402 120.500 0.176 0.000 2.360 456 R HA 0.345 4.685 4.340 0.000 0.000 0.318 456 R C -0.670 175.780 176.300 0.249 0.000 0.950 456 R CA -0.293 55.868 56.100 0.101 0.000 0.837 456 R CB 1.734 31.937 30.300 -0.162 0.000 1.165 456 R HN 0.889 nan 8.270 nan 0.000 0.458 457 S N 3.056 118.921 115.700 0.276 0.000 2.510 457 S HA 0.024 4.494 4.470 0.000 0.000 0.279 457 S C 1.388 175.961 174.600 -0.044 0.000 1.284 457 S CA -0.228 58.070 58.200 0.162 0.000 1.059 457 S CB 0.764 64.061 63.200 0.162 0.000 0.901 457 S HN 0.810 nan 8.310 nan 0.000 0.491 458 R N 3.347 123.760 120.500 -0.146 0.000 2.174 458 R HA -0.165 4.175 4.340 0.000 0.000 0.253 458 R C 0.639 176.901 176.300 -0.064 0.000 1.165 458 R CA 2.462 58.507 56.100 -0.091 0.000 0.984 458 R CB -0.164 30.064 30.300 -0.119 0.000 0.873 458 R HN 0.745 nan 8.270 nan 0.000 0.456 459 D N -1.299 119.051 120.400 -0.083 0.000 2.628 459 D HA -0.088 4.552 4.640 0.000 0.000 0.258 459 D C 1.657 177.949 176.300 -0.013 0.000 1.165 459 D CA 1.566 55.546 54.000 -0.034 0.000 0.991 459 D CB -0.908 39.874 40.800 -0.030 0.000 1.104 459 D HN 0.271 nan 8.370 nan 0.000 0.438 460 T N -0.184 114.373 114.554 0.004 0.000 3.093 460 T HA -0.191 4.160 4.350 0.000 0.000 0.270 460 T C 1.361 176.065 174.700 0.006 0.000 1.170 460 T CA 1.901 64.015 62.100 0.023 0.000 1.072 460 T CB -0.958 67.946 68.868 0.059 0.000 0.863 460 T HN 0.220 nan 8.240 nan 0.000 0.562 461 T N -0.210 114.332 114.554 -0.020 0.000 7.814 461 T HA -0.298 4.052 4.350 0.000 0.000 0.355 461 T C 0.211 174.871 174.700 -0.066 0.000 1.456 461 T CA 1.508 63.569 62.100 -0.064 0.000 2.464 461 T CB -1.786 67.049 68.868 -0.057 0.000 2.795 461 T HN 0.738 nan 8.240 nan 0.000 1.240 462 M N -0.039 119.555 119.600 -0.010 0.000 2.202 462 M HA 0.410 4.890 4.480 0.000 0.000 0.316 462 M C 0.185 176.491 176.300 0.010 0.000 1.138 462 M CA 0.180 55.482 55.300 0.004 0.000 1.151 462 M CB 0.762 33.383 32.600 0.035 0.000 1.422 462 M HN 0.032 nan 8.290 nan 0.000 0.471 463 K N 1.050 121.456 120.400 0.009 0.000 2.920 463 K HA 0.284 4.604 4.320 0.000 0.000 0.175 463 K C -0.948 175.674 176.600 0.035 0.000 1.099 463 K CA -0.235 56.065 56.287 0.022 0.000 0.939 463 K CB 0.513 33.012 32.500 -0.002 0.000 1.148 463 K HN 0.456 nan 8.250 nan 0.000 0.613 464 E N 1.483 121.696 120.200 0.022 0.000 2.718 464 E HA 0.196 4.546 4.350 0.000 0.000 0.263 464 E C 0.069 176.686 176.600 0.029 0.000 1.434 464 E CA 0.164 56.563 56.400 -0.000 0.000 1.106 464 E CB 0.437 30.099 29.700 -0.064 0.000 1.029 464 E HN 0.268 nan 8.360 nan 0.000 0.631 465 M N 0.239 119.828 119.600 -0.018 0.000 2.727 465 M HA 0.563 5.043 4.480 0.000 0.000 0.300 465 M C -0.490 175.692 176.300 -0.197 0.000 1.246 465 M CA -0.706 54.577 55.300 -0.029 0.000 0.835 465 M CB 2.215 34.824 32.600 0.016 0.000 1.755 465 M HN 0.515 nan 8.290 nan 0.000 0.473 466 M N 0.066 119.508 119.600 -0.265 0.000 2.833 466 M HA 0.402 4.882 4.480 0.000 0.000 0.270 466 M C -1.957 174.120 176.300 -0.372 0.000 1.209 466 M CA -0.751 54.240 55.300 -0.516 0.000 0.826 466 M CB 2.334 34.663 32.600 -0.451 0.000 1.657 466 M HN 0.690 nan 8.290 nan 0.000 0.492 467 H N 2.656 121.667 119.070 -0.099 0.000 2.640 467 H HA 0.326 4.882 4.556 0.000 0.000 0.297 467 H C -0.461 174.836 175.328 -0.051 0.000 1.073 467 H CA -0.747 55.258 56.048 -0.071 0.000 1.305 467 H CB 0.231 29.958 29.762 -0.058 0.000 1.404 467 H HN 0.600 nan 8.280 nan 0.000 0.459 468 I N 3.798 124.389 120.570 0.035 0.000 2.752 468 I HA -0.068 4.102 4.170 0.000 0.000 0.286 468 I C 0.728 176.870 176.117 0.042 0.000 1.180 468 I CA 1.027 62.341 61.300 0.023 0.000 1.404 468 I CB -0.595 37.413 38.000 0.013 0.000 1.389 468 I HN 0.895 nan 8.210 nan 0.000 0.549 469 S N 4.238 119.965 115.700 0.045 0.000 1.977 469 S HA -0.102 4.368 4.470 0.000 0.000 0.234 469 S C 0.951 175.585 174.600 0.057 0.000 0.848 469 S CA -0.182 58.047 58.200 0.048 0.000 1.004 469 S CB -1.189 62.038 63.200 0.044 0.000 1.054 469 S HN 0.612 nan 8.310 nan 0.000 0.540 470 K N 0.893 121.325 120.400 0.054 0.000 2.354 470 K HA 0.397 4.717 4.320 0.000 0.000 0.194 470 K C 1.698 178.340 176.600 0.069 0.000 1.038 470 K CA 0.372 56.689 56.287 0.049 0.000 1.052 470 K CB -0.094 32.413 32.500 0.011 0.000 0.861 470 K HN 0.364 nan 8.250 nan 0.000 0.535 471 L N 2.581 123.842 121.223 0.064 0.000 1.970 471 L HA -0.193 4.147 4.340 0.000 0.000 0.212 471 L C 2.252 179.220 176.870 0.162 0.000 1.071 471 L CA 1.968 56.878 54.840 0.116 0.000 0.751 471 L CB -1.006 41.099 42.059 0.077 0.000 0.889 471 L HN 0.104 nan 8.230 nan 0.000 0.432 472 K N -0.252 120.214 120.400 0.110 0.000 1.998 472 K HA -0.270 4.050 4.320 0.000 0.000 0.228 472 K C 1.656 178.327 176.600 0.118 0.000 1.053 472 K CA 2.480 58.826 56.287 0.098 0.000 0.988 472 K CB -0.398 32.146 32.500 0.073 0.000 0.735 472 K HN 0.431 nan 8.250 nan 0.000 0.448 473 D N -0.291 120.183 120.400 0.122 0.000 2.311 473 D HA -0.158 4.482 4.640 0.000 0.000 0.212 473 D C 1.679 178.107 176.300 0.213 0.000 0.972 473 D CA 0.691 54.771 54.000 0.134 0.000 0.887 473 D CB -0.179 40.688 40.800 0.110 0.000 0.915 473 D HN 0.222 nan 8.370 nan 0.000 0.497 474 F N 1.905 121.880 119.950 0.042 0.000 2.022 474 F HA -0.086 4.441 4.527 0.000 0.000 0.293 474 F C 2.185 178.059 175.800 0.122 0.000 1.142 474 F CA 0.929 58.961 58.000 0.052 0.000 1.177 474 F CB -0.885 38.099 39.000 -0.026 0.000 0.982 474 F HN -0.188 nan 8.300 nan 0.000 0.473 475 L N 0.229 121.376 121.223 -0.127 0.000 2.051 475 L HA -0.303 4.037 4.340 0.000 0.000 0.214 475 L C 2.599 179.469 176.870 -0.001 0.000 1.076 475 L CA 1.023 55.752 54.840 -0.184 0.000 0.758 475 L CB -0.931 41.106 42.059 -0.037 0.000 0.890 475 L HN 0.225 nan 8.230 nan 0.000 0.433 476 I N 0.058 120.661 120.570 0.055 0.000 2.194 476 I HA -0.272 3.898 4.170 0.000 0.000 0.246 476 I C 2.464 178.628 176.117 0.079 0.000 1.093 476 I CA 1.668 63.010 61.300 0.070 0.000 1.355 476 I CB -0.824 37.221 38.000 0.075 0.000 1.046 476 I HN 0.327 nan 8.210 nan 0.000 0.413 477 K N -0.738 119.726 120.400 0.107 0.000 2.262 477 K HA -0.089 4.231 4.320 0.000 0.000 0.200 477 K C 2.017 178.678 176.600 0.103 0.000 1.049 477 K CA 0.561 56.915 56.287 0.112 0.000 0.979 477 K CB -0.714 31.877 32.500 0.152 0.000 0.773 477 K HN 0.307 nan 8.250 nan 0.000 0.474 478 Y N 1.712 121.990 120.300 -0.038 0.000 2.224 478 Y HA -0.139 4.411 4.550 0.000 0.000 0.289 478 Y C 1.895 177.777 175.900 -0.029 0.000 1.146 478 Y CA 1.374 59.437 58.100 -0.063 0.000 1.182 478 Y CB -0.050 38.257 38.460 -0.255 0.000 0.983 478 Y HN -0.110 nan 8.280 nan 0.000 0.524 479 I N -1.401 119.214 120.570 0.074 0.000 2.235 479 I HA -0.259 3.911 4.170 0.000 0.000 0.241 479 I C 2.691 178.812 176.117 0.006 0.000 1.085 479 I CA 1.334 62.657 61.300 0.038 0.000 1.378 479 I CB -0.782 37.269 38.000 0.085 0.000 1.076 479 I HN 0.136 nan 8.210 nan 0.000 0.415 480 S N 0.389 116.106 115.700 0.029 0.000 2.407 480 S HA -0.258 4.212 4.470 0.000 0.000 0.235 480 S C 2.172 176.775 174.600 0.005 0.000 1.036 480 S CA 2.233 60.451 58.200 0.029 0.000 1.013 480 S CB -0.354 62.870 63.200 0.041 0.000 0.820 480 S HN 0.591 nan 8.310 nan 0.000 0.476 481 S N 1.177 116.858 115.700 -0.032 0.000 2.309 481 S HA 0.140 4.610 4.470 0.000 0.000 0.206 481 S C 2.213 176.765 174.600 -0.080 0.000 1.028 481 S CA 1.331 59.494 58.200 -0.062 0.000 0.972 481 S CB -1.304 61.837 63.200 -0.098 0.000 0.961 481 S HN 0.749 nan 8.310 nan 0.000 0.449 482 A N 2.401 125.109 122.820 -0.186 0.000 1.985 482 A HA -0.302 4.018 4.320 0.000 0.000 0.223 482 A C 2.210 179.850 177.584 0.093 0.000 1.189 482 A CA 2.523 54.487 52.037 -0.121 0.000 0.658 482 A CB -1.269 17.589 19.000 -0.238 0.000 0.820 482 A HN 0.783 nan 8.150 nan 0.000 0.464 483 K N -0.432 120.019 120.400 0.084 0.000 2.020 483 K HA -0.279 4.041 4.320 0.000 0.000 0.212 483 K C 1.781 178.427 176.600 0.077 0.000 1.050 483 K CA 2.068 58.424 56.287 0.114 0.000 0.929 483 K CB -0.330 32.217 32.500 0.078 0.000 0.714 483 K HN 0.614 nan 8.250 nan 0.000 0.443 484 N N 0.566 119.284 118.700 0.031 0.000 2.022 484 N HA -0.097 4.643 4.740 0.000 0.000 0.195 484 N C 0.711 176.222 175.510 0.001 0.000 1.063 484 N CA 1.106 54.158 53.050 0.003 0.000 0.851 484 N CB -0.631 37.849 38.487 -0.012 0.000 1.050 484 N HN -0.081 nan 8.380 nan 0.000 0.425 485 V N 0.000 119.914 119.914 -0.001 0.000 2.409 485 V HA 0.000 4.120 4.120 0.000 0.000 0.244 485 V CA 0.000 62.298 62.300 -0.003 0.000 1.235 485 V CB 0.000 31.816 31.823 -0.011 0.000 1.184 485 V HN 0.000 nan 8.190 nan 0.000 0.556