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 2cdq_1_A DATA FIRST_RESID 25 DATA SEQUENCE KGITCVMKFG GSSVASAERM KEVADLILTF PEESPVIVLS AMGKTTNNLL DATA SEQUENCE LAGEKAVSCG VSNASEIEEL SIIKELHIRT VKELNIDPSV ILTYLEELEQ DATA SEQUENCE LLKGIAMMKE LTLRTRDYLV SFGECLSTRI FAAYLNTIGV KARQYDAFEI DATA SEQUENCE GFITTDDFTN GDILEATYPA VAKRLYDDWM HDPAVPIVTG FLGKGWKTGA DATA SEQUENCE VTTLGRGGSD LTATTIGKAL GLKEIQVWKD VDGVLTCDPT IYKRATPVPY DATA SEQUENCE LTFDEAAELA YFGAQVLHPQ SMRPAREGEI PVRVKNSYNP KAPGTIITKT DATA SEQUENCE RDMTKSILTS IVLKRNVTML DIASTRMLGQ VGFLAKVFSI FEELGISVDV DATA SEQUENCE VATSEVSISL TLDPSKLWSR ELIQQELDHV VEELEKIAVV NLLKGRAIIS DATA SEQUENCE LIGNVQHSSL ILERAFHVLY TKGVNVQMIS QGASKVNISF IVNEAEAEGC DATA SEQUENCE VQALHKSFFE SGDLSELLIQ 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 25 K HA 0.000 nan 4.320 nan 0.000 0.191 25 K C 0.000 176.708 176.600 0.180 0.000 0.988 25 K CA 0.000 56.405 56.287 0.196 0.000 0.838 25 K CB 0.000 32.573 32.500 0.121 0.000 1.064 26 G N 1.277 110.210 108.800 0.221 0.000 2.465 26 G HA2 0.056 4.016 3.960 -0.000 0.000 0.681 26 G HA3 0.056 4.016 3.960 -0.000 0.000 0.681 26 G C -0.953 173.757 174.900 -0.317 0.000 1.340 26 G CA -0.987 44.066 45.100 -0.078 0.000 0.884 26 G HN 0.093 nan 8.290 nan 0.000 0.650 27 I N 1.871 122.099 120.570 -0.570 0.000 2.618 27 I HA 0.146 4.316 4.170 -0.000 0.000 0.284 27 I C 1.984 178.001 176.117 -0.166 0.000 1.146 27 I CA 1.060 62.082 61.300 -0.463 0.000 1.425 27 I CB 0.654 38.423 38.000 -0.385 0.000 1.383 27 I HN 0.860 nan 8.210 nan 0.000 0.562 28 T N 1.542 116.031 114.554 -0.109 0.000 3.023 28 T HA 0.164 4.514 4.350 -0.000 0.000 0.249 28 T C 0.537 175.219 174.700 -0.030 0.000 1.050 28 T CA 0.030 62.105 62.100 -0.042 0.000 1.088 28 T CB 0.003 68.863 68.868 -0.013 0.000 0.946 28 T HN 0.782 nan 8.240 nan 0.000 0.480 29 C N -0.460 118.825 119.300 -0.025 0.000 3.275 29 C HA 0.845 5.305 4.460 -0.000 0.000 0.340 29 C C -0.982 174.023 174.990 0.024 0.000 1.366 29 C CA -1.190 57.825 59.018 -0.004 0.000 1.227 29 C CB 1.394 29.129 27.740 -0.009 0.000 1.512 29 C HN 0.317 nan 8.230 nan 0.000 0.461 30 V N 2.207 122.144 119.914 0.039 0.000 2.459 30 V HA 0.768 4.888 4.120 -0.000 0.000 0.295 30 V C -0.526 175.623 176.094 0.092 0.000 1.029 30 V CA -0.450 61.893 62.300 0.071 0.000 0.874 30 V CB 1.606 33.469 31.823 0.067 0.000 0.985 30 V HN 0.935 nan 8.190 nan 0.000 0.438 31 M N 7.604 127.292 119.600 0.147 0.000 2.167 31 M HA 0.547 5.027 4.480 -0.000 0.000 0.333 31 M C -0.609 175.731 176.300 0.067 0.000 1.030 31 M CA -0.471 54.930 55.300 0.168 0.000 0.963 31 M CB 1.741 34.532 32.600 0.319 0.000 1.589 31 M HN 0.493 nan 8.290 nan 0.000 0.431 32 K N 3.686 124.044 120.400 -0.070 0.000 2.182 32 K HA 0.589 4.909 4.320 -0.000 0.000 0.262 32 K C -2.004 174.404 176.600 -0.320 0.000 0.957 32 K CA -0.151 56.090 56.287 -0.077 0.000 0.842 32 K CB 1.027 33.511 32.500 -0.028 0.000 1.099 32 K HN 0.573 nan 8.250 nan 0.000 0.438 33 F N 1.007 120.980 119.950 0.038 0.000 2.529 33 F HA 0.381 4.908 4.527 -0.000 0.000 0.320 33 F C 1.006 176.784 175.800 -0.037 0.000 1.118 33 F CA -0.599 57.395 58.000 -0.010 0.000 0.915 33 F CB 2.029 40.940 39.000 -0.148 0.000 1.161 33 F HN 0.651 nan 8.300 nan 0.000 0.445 34 G N 0.819 109.697 108.800 0.130 0.000 2.563 34 G HA2 0.387 4.347 3.960 -0.000 0.000 0.283 34 G HA3 0.387 4.347 3.960 -0.000 0.000 0.283 34 G C 1.035 175.955 174.900 0.034 0.000 1.309 34 G CA -0.186 44.944 45.100 0.050 0.000 1.022 34 G HN 0.868 nan 8.290 nan 0.000 0.501 35 G N -0.389 108.412 108.800 0.001 0.000 2.446 35 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 35 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 35 G C 2.221 177.115 174.900 -0.009 0.000 1.168 35 G CA 2.108 47.204 45.100 -0.008 0.000 0.771 35 G HN 1.067 nan 8.290 nan 0.000 0.551 36 S N 0.393 116.095 115.700 0.003 0.000 2.399 36 S HA -0.064 4.406 4.470 -0.000 0.000 0.231 36 S C 2.378 176.981 174.600 0.004 0.000 1.022 36 S CA 1.785 59.989 58.200 0.008 0.000 0.983 36 S CB -0.407 62.807 63.200 0.024 0.000 0.803 36 S HN 0.194 nan 8.310 nan 0.000 0.480 37 S N 1.026 116.737 115.700 0.018 0.000 2.419 37 S HA 0.004 4.474 4.470 -0.000 0.000 0.233 37 S C 1.268 175.803 174.600 -0.109 0.000 1.016 37 S CA 1.183 59.379 58.200 -0.007 0.000 0.974 37 S CB -0.200 63.075 63.200 0.124 0.000 0.786 37 S HN 0.864 nan 8.310 nan 0.000 0.492 38 V N -1.859 117.994 119.914 -0.102 0.000 2.838 38 V HA 0.704 4.824 4.120 -0.000 0.000 0.363 38 V C 0.978 177.015 176.094 -0.096 0.000 1.324 38 V CA -0.104 62.110 62.300 -0.143 0.000 1.220 38 V CB -0.249 31.450 31.823 -0.207 0.000 1.328 38 V HN 0.211 nan 8.190 nan 0.000 0.595 39 A N 1.083 123.859 122.820 -0.073 0.000 2.066 39 A HA 0.398 4.718 4.320 -0.000 0.000 0.218 39 A C 1.289 178.820 177.584 -0.089 0.000 1.157 39 A CA 1.271 53.269 52.037 -0.065 0.000 0.670 39 A CB -0.204 18.773 19.000 -0.038 0.000 0.804 39 A HN 1.319 nan 8.150 nan 0.000 0.453 40 S N -4.392 111.251 115.700 -0.095 0.000 2.615 40 S HA 0.619 5.088 4.470 -0.000 0.000 0.269 40 S C 0.761 175.290 174.600 -0.118 0.000 1.161 40 S CA 0.037 58.173 58.200 -0.105 0.000 0.817 40 S CB 0.960 64.113 63.200 -0.079 0.000 1.131 40 S HN 1.047 nan 8.310 nan 0.000 0.467 41 A N 0.788 123.528 122.820 -0.134 0.000 1.948 41 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 41 A C 1.970 179.448 177.584 -0.178 0.000 1.177 41 A CA 2.502 54.430 52.037 -0.182 0.000 0.636 41 A CB -1.337 17.558 19.000 -0.176 0.000 0.815 41 A HN 0.969 nan 8.150 nan 0.000 0.449 42 E N -0.246 119.884 120.200 -0.116 0.000 2.047 42 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 42 E C 2.249 178.803 176.600 -0.078 0.000 0.987 42 E CA 1.192 57.541 56.400 -0.085 0.000 0.799 42 E CB -0.143 29.527 29.700 -0.050 0.000 0.752 42 E HN 0.430 nan 8.360 nan 0.000 0.449 43 R N -0.301 120.153 120.500 -0.077 0.000 2.092 43 R HA -0.027 4.313 4.340 -0.000 0.000 0.231 43 R C 2.433 178.663 176.300 -0.118 0.000 1.119 43 R CA 1.272 57.321 56.100 -0.085 0.000 0.970 43 R CB -0.497 29.760 30.300 -0.072 0.000 0.864 43 R HN 0.387 nan 8.270 nan 0.000 0.440 44 M N 0.549 120.084 119.600 -0.109 0.000 2.149 44 M HA -0.192 4.288 4.480 -0.000 0.000 0.261 44 M C 2.052 178.382 176.300 0.050 0.000 1.064 44 M CA 1.711 56.993 55.300 -0.030 0.000 1.102 44 M CB -0.275 32.329 32.600 0.006 0.000 1.369 44 M HN 0.037 nan 8.290 nan 0.000 0.408 45 K N 0.070 120.429 120.400 -0.068 0.000 2.152 45 K HA -0.173 4.147 4.320 -0.000 0.000 0.206 45 K C 1.730 178.336 176.600 0.010 0.000 1.048 45 K CA 1.289 57.577 56.287 0.002 0.000 0.933 45 K CB -0.128 32.350 32.500 -0.037 0.000 0.721 45 K HN 0.480 nan 8.250 nan 0.000 0.447 46 E N 0.312 120.477 120.200 -0.060 0.000 2.072 46 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 46 E C 2.057 178.555 176.600 -0.169 0.000 0.985 46 E CA 1.206 57.537 56.400 -0.115 0.000 0.801 46 E CB -0.006 29.592 29.700 -0.169 0.000 0.750 46 E HN 0.047 nan 8.360 nan 0.000 0.452 47 V N 1.654 121.434 119.914 -0.224 0.000 2.295 47 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 47 V C 2.418 178.436 176.094 -0.125 0.000 1.049 47 V CA 1.905 63.944 62.300 -0.434 0.000 1.024 47 V CB -0.861 30.479 31.823 -0.804 0.000 0.648 47 V HN 0.306 nan 8.190 nan 0.000 0.447 48 A N -0.173 122.744 122.820 0.162 0.000 1.940 48 A HA -0.280 4.040 4.320 -0.000 0.000 0.219 48 A C 1.983 179.567 177.584 0.001 0.000 1.176 48 A CA 2.143 54.253 52.037 0.120 0.000 0.631 48 A CB -0.692 18.370 19.000 0.103 0.000 0.814 48 A HN 0.529 nan 8.150 nan 0.000 0.446 49 D N -0.217 120.168 120.400 -0.025 0.000 2.144 49 D HA -0.093 4.547 4.640 -0.000 0.000 0.199 49 D C 1.876 178.113 176.300 -0.104 0.000 0.984 49 D CA 0.877 54.839 54.000 -0.063 0.000 0.834 49 D CB -0.224 40.539 40.800 -0.061 0.000 0.955 49 D HN 0.459 nan 8.370 nan 0.000 0.465 50 L N 0.140 121.282 121.223 -0.134 0.000 2.017 50 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 50 L C 2.433 179.291 176.870 -0.020 0.000 1.073 50 L CA 0.713 55.467 54.840 -0.143 0.000 0.745 50 L CB -0.277 41.614 42.059 -0.281 0.000 0.894 50 L HN 0.053 nan 8.230 nan 0.000 0.432 51 I N -0.290 120.291 120.570 0.019 0.000 2.208 51 I HA -0.337 3.833 4.170 -0.000 0.000 0.245 51 I C 2.227 178.390 176.117 0.075 0.000 1.097 51 I CA 1.509 62.876 61.300 0.111 0.000 1.363 51 I CB -0.287 37.776 38.000 0.104 0.000 1.051 51 I HN 0.239 nan 8.210 nan 0.000 0.413 52 L N -0.041 121.176 121.223 -0.010 0.000 2.465 52 L HA -0.092 4.248 4.340 -0.000 0.000 0.224 52 L C 2.285 179.095 176.870 -0.101 0.000 1.145 52 L CA 0.755 55.572 54.840 -0.038 0.000 0.834 52 L CB -0.706 41.320 42.059 -0.055 0.000 0.944 52 L HN 0.255 nan 8.230 nan 0.000 0.451 53 T N -0.542 113.879 114.554 -0.222 0.000 2.951 53 T HA -0.046 4.304 4.350 -0.000 0.000 0.268 53 T C 0.444 174.777 174.700 -0.612 0.000 1.073 53 T CA 0.984 62.789 62.100 -0.493 0.000 1.134 53 T CB -0.162 68.241 68.868 -0.774 0.000 0.884 53 T HN 0.114 nan 8.240 nan 0.000 0.479 54 F N 0.823 120.811 119.950 0.062 0.000 2.449 54 F HA 0.360 4.887 4.527 -0.000 0.000 0.329 54 F C -2.133 173.707 175.800 0.068 0.000 1.245 54 F CA -2.453 55.592 58.000 0.074 0.000 1.193 54 F CB 1.347 40.408 39.000 0.102 0.000 1.425 54 F HN -0.051 nan 8.300 nan 0.000 0.544 55 P HA -0.130 nan 4.420 nan 0.000 0.222 55 P C 0.821 178.202 177.300 0.135 0.000 1.153 55 P CA 1.024 64.196 63.100 0.121 0.000 0.798 55 P CB 0.130 31.870 31.700 0.066 0.000 0.796 56 E N -0.422 119.866 120.200 0.147 0.000 2.526 56 E HA 0.030 4.380 4.350 -0.000 0.000 0.198 56 E C 0.256 176.938 176.600 0.136 0.000 1.091 56 E CA 0.411 56.889 56.400 0.130 0.000 0.880 56 E CB -0.618 29.153 29.700 0.119 0.000 0.873 56 E HN 0.270 nan 8.360 nan 0.000 0.527 57 E N -0.205 120.095 120.200 0.166 0.000 2.272 57 E HA 0.440 4.789 4.350 -0.000 0.000 0.269 57 E C -1.290 175.396 176.600 0.144 0.000 0.877 57 E CA -0.662 55.818 56.400 0.134 0.000 0.755 57 E CB 1.639 31.415 29.700 0.126 0.000 1.192 57 E HN -0.089 nan 8.360 nan 0.000 0.422 58 S N 5.487 121.247 115.700 0.100 0.000 2.528 58 S HA 0.454 4.923 4.470 -0.000 0.000 0.303 58 S C -2.526 172.084 174.600 0.016 0.000 1.123 58 S CA -1.178 57.082 58.200 0.099 0.000 1.138 58 S CB 0.811 64.061 63.200 0.082 0.000 0.984 58 S HN 0.361 nan 8.310 nan 0.000 0.474 59 P HA 0.465 nan 4.420 nan 0.000 0.285 59 P C -0.918 176.436 177.300 0.089 0.000 1.269 59 P CA -0.717 62.438 63.100 0.091 0.000 0.844 59 P CB 1.049 32.849 31.700 0.167 0.000 1.094 60 V N 3.084 123.050 119.914 0.088 0.000 2.398 60 V HA 0.283 4.403 4.120 -0.000 0.000 0.286 60 V C 0.294 176.488 176.094 0.167 0.000 1.026 60 V CA -0.630 61.742 62.300 0.121 0.000 0.868 60 V CB 1.132 33.004 31.823 0.082 0.000 0.982 60 V HN 0.354 nan 8.190 nan 0.000 0.443 61 I N 5.756 126.447 120.570 0.203 0.000 2.336 61 I HA 0.394 4.564 4.170 -0.000 0.000 0.292 61 I C -0.075 176.152 176.117 0.184 0.000 0.991 61 I CA -0.495 60.942 61.300 0.228 0.000 1.227 61 I CB 1.546 39.692 38.000 0.244 0.000 1.366 61 I HN 0.212 nan 8.210 nan 0.000 0.466 62 V N 7.577 127.597 119.914 0.175 0.000 2.347 62 V HA 0.436 4.556 4.120 -0.000 0.000 0.280 62 V C 0.181 176.345 176.094 0.116 0.000 1.021 62 V CA -0.540 61.830 62.300 0.118 0.000 0.847 62 V CB 1.878 33.754 31.823 0.088 0.000 0.990 62 V HN 0.451 nan 8.190 nan 0.000 0.444 63 L N 3.723 124.984 121.223 0.064 0.000 2.329 63 L HA 0.553 4.893 4.340 -0.000 0.000 0.279 63 L C 0.547 177.433 176.870 0.026 0.000 1.014 63 L CA -0.161 54.695 54.840 0.026 0.000 0.814 63 L CB 2.167 44.198 42.059 -0.048 0.000 1.257 63 L HN 0.591 nan 8.230 nan 0.000 0.424 64 S N 1.019 116.731 115.700 0.020 0.000 2.640 64 S HA 0.537 5.007 4.470 -0.000 0.000 0.262 64 S C 0.283 174.898 174.600 0.025 0.000 1.232 64 S CA -0.556 57.653 58.200 0.013 0.000 0.988 64 S CB 1.243 64.436 63.200 -0.012 0.000 1.034 64 S HN 0.702 nan 8.310 nan 0.000 0.569 65 A N 0.811 123.657 122.820 0.044 0.000 2.346 65 A HA 0.434 4.754 4.320 -0.000 0.000 0.252 65 A C 0.229 177.844 177.584 0.052 0.000 1.089 65 A CA -0.356 51.726 52.037 0.074 0.000 0.797 65 A CB -0.217 18.846 19.000 0.104 0.000 1.047 65 A HN 0.766 nan 8.150 nan 0.000 0.494 66 M N 2.093 121.741 119.600 0.079 0.000 2.356 66 M HA 0.115 4.595 4.480 -0.000 0.000 0.348 66 M C 1.253 177.555 176.300 0.003 0.000 1.595 66 M CA 0.541 55.845 55.300 0.007 0.000 1.095 66 M CB -0.535 32.019 32.600 -0.077 0.000 1.963 66 M HN 0.933 nan 8.290 nan 0.000 0.459 67 G N 4.534 113.325 108.800 -0.015 0.000 2.925 67 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.316 67 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.316 67 G C 0.625 175.527 174.900 0.003 0.000 0.265 67 G CA 0.297 45.392 45.100 -0.009 0.000 1.208 67 G HN 1.003 nan 8.290 nan 0.000 0.208 68 K N -0.144 120.263 120.400 0.012 0.000 3.553 68 K HA -0.270 4.050 4.320 -0.000 0.000 0.303 68 K C 2.104 178.731 176.600 0.044 0.000 1.327 68 K CA 1.635 57.934 56.287 0.021 0.000 0.983 68 K CB -1.834 30.674 32.500 0.013 0.000 1.275 68 K HN 0.846 nan 8.250 nan 0.000 0.453 69 T N -2.969 111.625 114.554 0.066 0.000 2.821 69 T HA -0.124 4.226 4.350 -0.000 0.000 0.267 69 T C 1.788 176.544 174.700 0.093 0.000 1.046 69 T CA 1.752 63.914 62.100 0.105 0.000 1.139 69 T CB -0.316 68.670 68.868 0.195 0.000 0.871 69 T HN 0.162 nan 8.240 nan 0.000 0.454 70 T N 2.264 116.872 114.554 0.090 0.000 2.635 70 T HA -0.153 4.196 4.350 -0.000 0.000 0.267 70 T C 2.017 176.771 174.700 0.090 0.000 1.040 70 T CA 1.507 63.670 62.100 0.105 0.000 1.156 70 T CB -0.624 68.306 68.868 0.103 0.000 0.863 70 T HN 0.522 nan 8.240 nan 0.000 0.430 71 N N 0.605 119.343 118.700 0.064 0.000 2.188 71 N HA -0.114 4.626 4.740 -0.000 0.000 0.184 71 N C 1.663 177.206 175.510 0.054 0.000 1.018 71 N CA 0.869 53.953 53.050 0.057 0.000 0.858 71 N CB -0.090 38.421 38.487 0.040 0.000 0.989 71 N HN 0.280 nan 8.380 nan 0.000 0.426 72 N N 1.203 119.934 118.700 0.051 0.000 2.188 72 N HA -0.075 4.665 4.740 -0.000 0.000 0.184 72 N C 1.956 177.488 175.510 0.036 0.000 1.018 72 N CA 0.476 53.551 53.050 0.042 0.000 0.858 72 N CB -0.379 38.135 38.487 0.046 0.000 0.989 72 N HN 0.285 nan 8.380 nan 0.000 0.426 73 L N 0.671 121.920 121.223 0.044 0.000 1.989 73 L HA -0.147 4.193 4.340 -0.000 0.000 0.211 73 L C 2.286 179.177 176.870 0.034 0.000 1.071 73 L CA 0.993 55.851 54.840 0.030 0.000 0.749 73 L CB -0.578 41.511 42.059 0.052 0.000 0.890 73 L HN 0.103 nan 8.230 nan 0.000 0.431 74 L N -0.709 120.548 121.223 0.057 0.000 2.042 74 L HA -0.260 4.080 4.340 -0.000 0.000 0.210 74 L C 2.537 179.435 176.870 0.046 0.000 1.076 74 L CA 1.252 56.127 54.840 0.060 0.000 0.749 74 L CB -0.428 41.680 42.059 0.080 0.000 0.893 74 L HN 0.251 nan 8.230 nan 0.000 0.432 75 L N -0.680 120.568 121.223 0.042 0.000 2.046 75 L HA -0.208 4.131 4.340 -0.000 0.000 0.208 75 L C 2.835 179.718 176.870 0.022 0.000 1.077 75 L CA 1.214 56.074 54.840 0.033 0.000 0.747 75 L CB -0.632 41.447 42.059 0.032 0.000 0.896 75 L HN 0.246 nan 8.230 nan 0.000 0.432 76 A N 0.043 122.872 122.820 0.014 0.000 1.940 76 A HA -0.148 4.171 4.320 -0.000 0.000 0.219 76 A C 2.360 179.943 177.584 -0.002 0.000 1.176 76 A CA 1.751 53.788 52.037 -0.000 0.000 0.631 76 A CB -1.253 17.737 19.000 -0.016 0.000 0.814 76 A HN 0.466 nan 8.150 nan 0.000 0.446 77 G N -0.519 108.284 108.800 0.006 0.000 2.453 77 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.215 77 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.215 77 G C 1.393 176.300 174.900 0.012 0.000 1.201 77 G CA 1.152 46.258 45.100 0.009 0.000 0.784 77 G HN 0.550 nan 8.290 nan 0.000 0.545 78 E N 0.223 120.435 120.200 0.020 0.000 2.097 78 E HA -0.109 4.241 4.350 -0.000 0.000 0.196 78 E C 2.536 179.144 176.600 0.014 0.000 1.000 78 E CA 1.292 57.705 56.400 0.021 0.000 0.804 78 E CB -0.038 29.679 29.700 0.028 0.000 0.740 78 E HN 0.383 nan 8.360 nan 0.000 0.454 79 K N -0.378 120.029 120.400 0.011 0.000 2.057 79 K HA -0.059 4.261 4.320 -0.000 0.000 0.206 79 K C 2.156 178.758 176.600 0.003 0.000 1.050 79 K CA 0.905 57.196 56.287 0.007 0.000 0.935 79 K CB -0.109 32.395 32.500 0.006 0.000 0.715 79 K HN 0.106 nan 8.250 nan 0.000 0.439 80 A N 1.124 123.943 122.820 -0.001 0.000 1.940 80 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 80 A C 2.283 179.866 177.584 -0.003 0.000 1.176 80 A CA 1.432 53.466 52.037 -0.005 0.000 0.631 80 A CB -0.730 18.264 19.000 -0.010 0.000 0.814 80 A HN 0.086 nan 8.150 nan 0.000 0.446 81 V N 0.488 120.402 119.914 0.000 0.000 2.453 81 V HA -0.206 3.914 4.120 -0.000 0.000 0.252 81 V C 1.851 177.946 176.094 0.001 0.000 1.068 81 V CA 2.181 64.482 62.300 0.001 0.000 1.070 81 V CB -0.560 31.266 31.823 0.004 0.000 0.664 81 V HN 0.817 nan 8.190 nan 0.000 0.461 82 S N -2.579 113.122 115.700 0.002 0.000 3.021 82 S HA 0.076 4.546 4.470 -0.000 0.000 0.252 82 S C 0.843 175.444 174.600 0.001 0.000 0.996 82 S CA 0.083 58.284 58.200 0.002 0.000 1.084 82 S CB -0.173 63.029 63.200 0.004 0.000 1.021 82 S HN 0.666 nan 8.310 nan 0.000 0.566 83 C N -0.238 119.061 119.300 -0.000 0.000 2.912 83 C HA 0.717 5.177 4.460 -0.000 0.000 0.274 83 C C 1.373 176.362 174.990 -0.002 0.000 1.248 83 C CA -0.023 58.995 59.018 -0.000 0.000 1.694 83 C CB -1.048 26.692 27.740 -0.001 0.000 2.024 83 C HN 1.247 nan 8.230 nan 0.000 0.605 84 G N 0.694 109.492 108.800 -0.003 0.000 2.690 84 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.686 84 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.686 84 G C -0.059 174.838 174.900 -0.005 0.000 1.277 84 G CA -0.312 44.786 45.100 -0.004 0.000 0.799 84 G HN 0.776 nan 8.290 nan 0.000 0.613 85 V N 1.102 121.012 119.914 -0.006 0.000 2.270 85 V HA -0.143 3.977 4.120 -0.000 0.000 0.245 85 V C 3.212 179.302 176.094 -0.007 0.000 1.043 85 V CA 3.062 65.358 62.300 -0.007 0.000 1.014 85 V CB -1.082 30.737 31.823 -0.007 0.000 0.645 85 V HN 1.673 nan 8.190 nan 0.000 0.447 86 S N 1.119 116.816 115.700 -0.006 0.000 2.419 86 S HA -0.221 4.249 4.470 -0.000 0.000 0.235 86 S C 1.620 176.217 174.600 -0.005 0.000 1.019 86 S CA 1.762 59.959 58.200 -0.005 0.000 0.982 86 S CB -0.654 62.544 63.200 -0.004 0.000 0.789 86 S HN 0.660 nan 8.310 nan 0.000 0.490 87 N N 1.823 120.520 118.700 -0.005 0.000 2.422 87 N HA 0.284 5.024 4.740 -0.000 0.000 0.181 87 N C 1.784 177.290 175.510 -0.007 0.000 1.080 87 N CA 0.862 53.909 53.050 -0.005 0.000 0.893 87 N CB -0.481 38.004 38.487 -0.003 0.000 0.973 87 N HN 0.576 nan 8.380 nan 0.000 0.456 88 A N 0.937 123.752 122.820 -0.009 0.000 1.940 88 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 88 A C 2.291 179.865 177.584 -0.016 0.000 1.176 88 A CA 1.547 53.576 52.037 -0.013 0.000 0.631 88 A CB -0.568 18.422 19.000 -0.016 0.000 0.814 88 A HN 0.240 nan 8.150 nan 0.000 0.446 89 S N -0.332 115.361 115.700 -0.013 0.000 2.469 89 S HA -0.075 4.395 4.470 -0.000 0.000 0.238 89 S C 1.186 175.781 174.600 -0.009 0.000 0.998 89 S CA 1.424 59.616 58.200 -0.013 0.000 0.957 89 S CB -0.120 63.074 63.200 -0.009 0.000 0.764 89 S HN 0.646 nan 8.310 nan 0.000 0.514 90 E N 0.384 120.579 120.200 -0.007 0.000 2.501 90 E HA 0.316 4.666 4.350 -0.000 0.000 0.201 90 E C -0.170 176.428 176.600 -0.003 0.000 1.016 90 E CA -0.173 56.224 56.400 -0.004 0.000 0.920 90 E CB 0.042 29.741 29.700 -0.002 0.000 1.023 90 E HN 0.470 nan 8.360 nan 0.000 0.474 91 I N 1.968 122.534 120.570 -0.007 0.000 2.662 91 I HA -0.110 4.060 4.170 -0.000 0.000 0.285 91 I C 1.785 177.901 176.117 -0.002 0.000 1.161 91 I CA 0.127 61.424 61.300 -0.005 0.000 1.415 91 I CB 0.663 38.657 38.000 -0.010 0.000 1.385 91 I HN 0.109 nan 8.210 nan 0.000 0.552 92 E N 4.560 124.761 120.200 0.002 0.000 2.086 92 E HA -0.277 4.073 4.350 -0.000 0.000 0.205 92 E C 1.690 178.295 176.600 0.008 0.000 1.027 92 E CA 1.974 58.377 56.400 0.006 0.000 0.830 92 E CB 0.182 29.887 29.700 0.008 0.000 0.751 92 E HN 0.619 nan 8.360 nan 0.000 0.456 93 E N 0.414 120.618 120.200 0.008 0.000 2.110 93 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 93 E C 1.939 178.545 176.600 0.009 0.000 0.988 93 E CA 0.425 56.832 56.400 0.012 0.000 0.804 93 E CB -0.280 29.427 29.700 0.013 0.000 0.745 93 E HN 0.123 nan 8.360 nan 0.000 0.458 94 L N 0.197 121.418 121.223 -0.004 0.000 2.046 94 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 94 L C 1.923 178.793 176.870 0.000 0.000 1.077 94 L CA 1.692 56.523 54.840 -0.014 0.000 0.747 94 L CB -0.582 41.459 42.059 -0.030 0.000 0.896 94 L HN -0.030 nan 8.230 nan 0.000 0.432 95 S N -0.278 115.425 115.700 0.005 0.000 2.382 95 S HA -0.124 4.346 4.470 -0.000 0.000 0.228 95 S C 1.939 176.553 174.600 0.022 0.000 1.027 95 S CA 1.757 59.964 58.200 0.012 0.000 0.991 95 S CB -0.456 62.748 63.200 0.008 0.000 0.823 95 S HN 0.487 nan 8.310 nan 0.000 0.469 96 I N 1.052 121.636 120.570 0.024 0.000 2.202 96 I HA -0.155 4.015 4.170 -0.000 0.000 0.242 96 I C 2.009 178.161 176.117 0.060 0.000 1.091 96 I CA 1.180 62.499 61.300 0.032 0.000 1.368 96 I CB -0.340 37.675 38.000 0.026 0.000 1.058 96 I HN 0.227 nan 8.210 nan 0.000 0.410 97 I N 0.560 121.176 120.570 0.076 0.000 2.226 97 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 97 I C 2.483 178.719 176.117 0.197 0.000 1.100 97 I CA 1.453 62.845 61.300 0.154 0.000 1.374 97 I CB -0.355 37.697 38.000 0.087 0.000 1.057 97 I HN 0.121 nan 8.210 nan 0.000 0.413 98 K N 0.698 121.153 120.400 0.092 0.000 2.009 98 K HA -0.271 4.049 4.320 -0.000 0.000 0.210 98 K C 2.045 178.703 176.600 0.097 0.000 1.049 98 K CA 2.193 58.528 56.287 0.080 0.000 0.929 98 K CB -0.193 32.329 32.500 0.036 0.000 0.714 98 K HN 0.369 nan 8.250 nan 0.000 0.440 99 E N 1.340 121.580 120.200 0.067 0.000 2.152 99 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 99 E C 1.893 178.512 176.600 0.031 0.000 0.983 99 E CA 0.866 57.292 56.400 0.043 0.000 0.818 99 E CB -0.495 29.219 29.700 0.023 0.000 0.758 99 E HN 0.246 nan 8.360 nan 0.000 0.467 100 L N -0.105 121.134 121.223 0.026 0.000 2.012 100 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 100 L C 2.040 178.828 176.870 -0.136 0.000 1.073 100 L CA 2.186 56.980 54.840 -0.076 0.000 0.748 100 L CB -0.291 41.686 42.059 -0.137 0.000 0.891 100 L HN 0.305 nan 8.230 nan 0.000 0.431 101 H N -0.905 118.170 119.070 0.007 0.000 2.403 101 H HA -0.049 4.507 4.556 -0.000 0.000 0.298 101 H C 2.166 177.501 175.328 0.011 0.000 1.059 101 H CA 1.517 57.572 56.048 0.011 0.000 1.363 101 H CB 0.032 29.809 29.762 0.025 0.000 1.410 101 H HN 0.270 nan 8.280 nan 0.000 0.528 102 I N 0.244 120.888 120.570 0.123 0.000 2.226 102 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 102 I C 2.590 178.727 176.117 0.032 0.000 1.100 102 I CA 1.295 62.637 61.300 0.070 0.000 1.374 102 I CB -0.152 37.882 38.000 0.057 0.000 1.057 102 I HN 0.159 nan 8.210 nan 0.000 0.413 103 R N 0.219 120.725 120.500 0.011 0.000 2.092 103 R HA -0.130 4.210 4.340 -0.000 0.000 0.231 103 R C 2.245 178.525 176.300 -0.032 0.000 1.119 103 R CA 1.807 57.899 56.100 -0.013 0.000 0.970 103 R CB -0.159 30.128 30.300 -0.022 0.000 0.864 103 R HN 0.266 nan 8.270 nan 0.000 0.440 104 T N 0.169 114.692 114.554 -0.051 0.000 2.746 104 T HA -0.097 4.253 4.350 -0.000 0.000 0.267 104 T C 1.798 176.468 174.700 -0.050 0.000 1.039 104 T CA 1.328 63.382 62.100 -0.076 0.000 1.142 104 T CB -0.137 68.662 68.868 -0.115 0.000 0.866 104 T HN 0.014 nan 8.240 nan 0.000 0.444 105 V N 1.624 121.533 119.914 -0.008 0.000 2.332 105 V HA -0.188 3.932 4.120 -0.000 0.000 0.248 105 V C 2.632 178.728 176.094 0.003 0.000 1.055 105 V CA 1.560 63.867 62.300 0.011 0.000 1.038 105 V CB -0.503 31.344 31.823 0.039 0.000 0.651 105 V HN 0.422 nan 8.190 nan 0.000 0.450 106 K N -0.089 120.311 120.400 -0.000 0.000 2.009 106 K HA -0.280 4.040 4.320 -0.000 0.000 0.210 106 K C 2.259 178.853 176.600 -0.011 0.000 1.049 106 K CA 2.346 58.632 56.287 -0.002 0.000 0.929 106 K CB -0.172 32.326 32.500 -0.003 0.000 0.714 106 K HN 0.613 nan 8.250 nan 0.000 0.440 107 E N 0.332 120.514 120.200 -0.030 0.000 2.107 107 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 107 E C 1.950 178.519 176.600 -0.051 0.000 0.982 107 E CA 0.552 56.926 56.400 -0.043 0.000 0.809 107 E CB 0.076 29.737 29.700 -0.065 0.000 0.756 107 E HN 0.296 nan 8.360 nan 0.000 0.459 108 L N 0.620 121.800 121.223 -0.073 0.000 2.552 108 L HA 0.024 4.364 4.340 -0.000 0.000 0.227 108 L C 0.543 177.458 176.870 0.076 0.000 1.146 108 L CA 0.154 54.954 54.840 -0.067 0.000 0.858 108 L CB -0.405 41.540 42.059 -0.190 0.000 0.969 108 L HN 0.253 nan 8.230 nan 0.000 0.451 109 N N 0.664 119.386 118.700 0.036 0.000 2.756 109 N HA -0.202 4.538 4.740 -0.000 0.000 0.248 109 N C -0.621 174.916 175.510 0.045 0.000 1.062 109 N CA 0.371 53.445 53.050 0.039 0.000 0.696 109 N CB -1.114 37.397 38.487 0.040 0.000 0.946 109 N HN 0.298 nan 8.380 nan 0.000 0.548 110 I N -0.406 120.190 120.570 0.043 0.000 2.707 110 I HA 0.220 4.390 4.170 -0.000 0.000 0.309 110 I C 0.650 176.784 176.117 0.029 0.000 1.001 110 I CA -1.049 60.275 61.300 0.039 0.000 1.129 110 I CB 1.141 39.171 38.000 0.050 0.000 1.308 110 I HN 0.188 nan 8.210 nan 0.000 0.466 111 D N 5.245 125.660 120.400 0.025 0.000 2.412 111 D HA 0.061 4.701 4.640 -0.000 0.000 0.257 111 D C -1.756 174.565 176.300 0.035 0.000 1.217 111 D CA -1.002 53.014 54.000 0.025 0.000 0.897 111 D CB 0.929 41.741 40.800 0.020 0.000 1.132 111 D HN 0.165 nan 8.370 nan 0.000 0.493 112 P HA 0.005 nan 4.420 nan 0.000 0.241 112 P C 0.988 178.323 177.300 0.058 0.000 1.191 112 P CA 0.177 63.305 63.100 0.047 0.000 0.771 112 P CB 0.358 32.083 31.700 0.041 0.000 0.929 113 S N 0.069 115.800 115.700 0.053 0.000 2.365 113 S HA -0.145 4.325 4.470 -0.000 0.000 0.221 113 S C 1.973 176.626 174.600 0.089 0.000 1.037 113 S CA 1.798 60.034 58.200 0.060 0.000 1.060 113 S CB -1.288 61.941 63.200 0.048 0.000 0.974 113 S HN 0.001 nan 8.310 nan 0.000 0.427 114 V N 1.710 121.683 119.914 0.099 0.000 2.282 114 V HA -0.200 3.920 4.120 -0.000 0.000 0.249 114 V C 2.181 178.410 176.094 0.225 0.000 1.057 114 V CA 1.685 64.080 62.300 0.158 0.000 1.032 114 V CB -0.830 31.065 31.823 0.120 0.000 0.645 114 V HN 0.309 nan 8.190 nan 0.000 0.447 115 I N -0.436 120.220 120.570 0.144 0.000 2.208 115 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 115 I C 2.252 178.471 176.117 0.169 0.000 1.097 115 I CA 1.554 62.940 61.300 0.142 0.000 1.363 115 I CB -0.535 37.526 38.000 0.100 0.000 1.051 115 I HN 0.193 nan 8.210 nan 0.000 0.413 116 L N -0.681 120.619 121.223 0.127 0.000 2.083 116 L HA -0.241 4.099 4.340 -0.000 0.000 0.209 116 L C 2.427 179.361 176.870 0.106 0.000 1.083 116 L CA 1.531 56.431 54.840 0.100 0.000 0.752 116 L CB -0.906 41.195 42.059 0.070 0.000 0.899 116 L HN 0.252 nan 8.230 nan 0.000 0.433 117 T N -1.529 113.099 114.554 0.123 0.000 2.746 117 T HA -0.205 4.145 4.350 -0.000 0.000 0.267 117 T C 1.693 176.438 174.700 0.076 0.000 1.039 117 T CA 1.354 63.499 62.100 0.074 0.000 1.142 117 T CB -0.317 68.577 68.868 0.042 0.000 0.866 117 T HN 0.225 nan 8.240 nan 0.000 0.444 118 Y N 1.070 121.431 120.300 0.101 0.000 2.293 118 Y HA 0.067 4.617 4.550 -0.000 0.000 0.291 118 Y C 2.147 178.153 175.900 0.175 0.000 1.137 118 Y CA 0.713 58.924 58.100 0.185 0.000 1.202 118 Y CB -0.374 38.174 38.460 0.146 0.000 0.990 118 Y HN 0.150 nan 8.280 nan 0.000 0.537 119 L N -0.778 120.565 121.223 0.199 0.000 2.109 119 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 119 L C 2.348 179.224 176.870 0.010 0.000 1.086 119 L CA 0.926 55.802 54.840 0.060 0.000 0.760 119 L CB -0.452 41.635 42.059 0.047 0.000 0.910 119 L HN 0.164 nan 8.230 nan 0.000 0.437 120 E N 0.532 120.753 120.200 0.036 0.000 2.049 120 E HA -0.275 4.075 4.350 -0.000 0.000 0.198 120 E C 2.011 178.611 176.600 0.000 0.000 1.007 120 E CA 1.416 57.824 56.400 0.013 0.000 0.809 120 E CB -0.186 29.527 29.700 0.021 0.000 0.749 120 E HN 0.501 nan 8.360 nan 0.000 0.450 121 E N 0.345 120.567 120.200 0.038 0.000 2.049 121 E HA -0.225 4.125 4.350 -0.000 0.000 0.198 121 E C 2.233 178.787 176.600 -0.076 0.000 1.007 121 E CA 1.042 57.489 56.400 0.079 0.000 0.809 121 E CB -0.243 29.610 29.700 0.256 0.000 0.749 121 E HN 0.046 nan 8.360 nan 0.000 0.450 122 L N 1.629 122.647 121.223 -0.342 0.000 2.013 122 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 122 L C 2.222 178.903 176.870 -0.315 0.000 1.073 122 L CA 2.166 56.586 54.840 -0.701 0.000 0.753 122 L CB -0.534 41.097 42.059 -0.714 0.000 0.890 122 L HN 0.108 nan 8.230 nan 0.000 0.432 123 E N -1.473 118.622 120.200 -0.174 0.000 2.110 123 E HA -0.250 4.100 4.350 -0.000 0.000 0.193 123 E C 2.111 178.670 176.600 -0.068 0.000 0.988 123 E CA 1.093 57.434 56.400 -0.098 0.000 0.804 123 E CB -0.021 29.644 29.700 -0.058 0.000 0.745 123 E HN 0.566 nan 8.360 nan 0.000 0.458 124 Q N 0.222 119.991 119.800 -0.051 0.000 2.084 124 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 124 Q C 2.356 178.348 176.000 -0.013 0.000 0.978 124 Q CA 0.883 56.675 55.803 -0.019 0.000 0.844 124 Q CB -0.411 28.330 28.738 0.005 0.000 0.898 124 Q HN 0.322 nan 8.270 nan 0.000 0.426 125 L N 0.328 121.541 121.223 -0.017 0.000 2.046 125 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 125 L C 2.150 179.011 176.870 -0.015 0.000 1.077 125 L CA 1.327 56.178 54.840 0.019 0.000 0.747 125 L CB -0.423 41.677 42.059 0.068 0.000 0.896 125 L HN 0.126 nan 8.230 nan 0.000 0.432 126 L N -0.755 120.434 121.223 -0.055 0.000 2.093 126 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 126 L C 2.585 179.438 176.870 -0.028 0.000 1.085 126 L CA 1.278 56.091 54.840 -0.045 0.000 0.755 126 L CB -0.495 41.525 42.059 -0.064 0.000 0.904 126 L HN 0.233 nan 8.230 nan 0.000 0.435 127 K N 0.050 120.433 120.400 -0.028 0.000 2.103 127 K HA -0.145 4.175 4.320 -0.000 0.000 0.207 127 K C 2.051 178.643 176.600 -0.014 0.000 1.048 127 K CA 1.311 57.587 56.287 -0.019 0.000 0.930 127 K CB -0.312 32.177 32.500 -0.018 0.000 0.716 127 K HN 0.363 nan 8.250 nan 0.000 0.444 128 G N 1.069 109.861 108.800 -0.012 0.000 2.433 128 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.216 128 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.216 128 G C 1.449 176.341 174.900 -0.013 0.000 1.186 128 G CA 1.042 46.135 45.100 -0.012 0.000 0.779 128 G HN 0.231 nan 8.290 nan 0.000 0.543 129 I N 1.679 122.243 120.570 -0.011 0.000 2.194 129 I HA -0.242 3.928 4.170 -0.000 0.000 0.246 129 I C 3.291 179.402 176.117 -0.010 0.000 1.093 129 I CA 1.136 62.430 61.300 -0.010 0.000 1.355 129 I CB -0.273 37.723 38.000 -0.007 0.000 1.046 129 I HN 0.245 nan 8.210 nan 0.000 0.413 130 A N 0.413 123.227 122.820 -0.011 0.000 1.902 130 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 130 A C 2.428 180.006 177.584 -0.009 0.000 1.181 130 A CA 1.535 53.567 52.037 -0.009 0.000 0.623 130 A CB -0.522 18.472 19.000 -0.011 0.000 0.818 130 A HN 0.307 nan 8.150 nan 0.000 0.443 131 M N -1.163 118.431 119.600 -0.010 0.000 2.117 131 M HA -0.094 4.386 4.480 -0.000 0.000 0.262 131 M C 1.850 178.143 176.300 -0.010 0.000 1.065 131 M CA 1.472 56.766 55.300 -0.010 0.000 1.114 131 M CB -0.615 31.978 32.600 -0.011 0.000 1.361 131 M HN 0.359 nan 8.290 nan 0.000 0.408 132 M N -0.358 119.235 119.600 -0.012 0.000 2.514 132 M HA 0.009 4.489 4.480 -0.000 0.000 0.258 132 M C 0.517 176.811 176.300 -0.011 0.000 1.119 132 M CA 0.618 55.910 55.300 -0.013 0.000 1.111 132 M CB -0.656 31.934 32.600 -0.018 0.000 1.390 132 M HN 0.213 nan 8.290 nan 0.000 0.475 133 K N 1.361 121.755 120.400 -0.009 0.000 3.016 133 K HA -0.194 4.126 4.320 -0.000 0.000 0.262 133 K C -0.728 175.868 176.600 -0.006 0.000 1.043 133 K CA 0.780 57.063 56.287 -0.006 0.000 0.761 133 K CB -1.786 30.711 32.500 -0.005 0.000 1.230 133 K HN 0.522 nan 8.250 nan 0.000 0.485 134 E N 0.274 120.468 120.200 -0.009 0.000 2.290 134 E HA 0.415 4.765 4.350 -0.000 0.000 0.274 134 E C -1.384 175.207 176.600 -0.014 0.000 0.889 134 E CA -0.903 55.490 56.400 -0.012 0.000 0.760 134 E CB 1.733 31.423 29.700 -0.017 0.000 1.206 134 E HN 0.056 nan 8.360 nan 0.000 0.419 135 L N 3.267 124.483 121.223 -0.011 0.000 2.417 135 L HA 0.292 4.632 4.340 -0.000 0.000 0.259 135 L C -0.388 176.471 176.870 -0.018 0.000 1.023 135 L CA -0.223 54.610 54.840 -0.012 0.000 0.901 135 L CB 1.073 43.133 42.059 0.002 0.000 1.227 135 L HN 0.614 nan 8.230 nan 0.000 0.454 136 T N 0.361 114.888 114.554 -0.045 0.000 2.868 136 T HA 0.284 4.634 4.350 -0.000 0.000 0.292 136 T C 1.624 176.275 174.700 -0.082 0.000 1.028 136 T CA -0.630 61.432 62.100 -0.063 0.000 1.059 136 T CB 0.804 69.610 68.868 -0.104 0.000 0.991 136 T HN 0.493 nan 8.240 nan 0.000 0.531 137 L N 0.083 121.269 121.223 -0.061 0.000 2.191 137 L HA -0.051 4.289 4.340 -0.000 0.000 0.212 137 L C 3.126 179.852 176.870 -0.240 0.000 1.103 137 L CA 1.213 56.033 54.840 -0.034 0.000 0.769 137 L CB -0.698 41.421 42.059 0.100 0.000 0.908 137 L HN 0.773 nan 8.230 nan 0.000 0.438 138 R N 0.222 120.348 120.500 -0.623 0.000 2.081 138 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 138 R C 2.181 178.153 176.300 -0.548 0.000 1.131 138 R CA 2.077 57.390 56.100 -1.311 0.000 0.960 138 R CB -0.252 29.324 30.300 -1.207 0.000 0.856 138 R HN 0.263 nan 8.270 nan 0.000 0.436 139 T N 0.467 114.854 114.554 -0.279 0.000 2.777 139 T HA -0.098 4.252 4.350 -0.000 0.000 0.266 139 T C 1.768 176.473 174.700 0.007 0.000 1.040 139 T CA 1.218 63.266 62.100 -0.087 0.000 1.141 139 T CB -0.232 68.603 68.868 -0.055 0.000 0.868 139 T HN 0.323 nan 8.240 nan 0.000 0.444 140 R N 0.903 121.387 120.500 -0.026 0.000 2.103 140 R HA -0.170 4.170 4.340 -0.000 0.000 0.242 140 R C 1.905 178.229 176.300 0.038 0.000 1.142 140 R CA 1.953 58.067 56.100 0.023 0.000 0.960 140 R CB -0.271 30.045 30.300 0.027 0.000 0.858 140 R HN 0.260 nan 8.270 nan 0.000 0.439 141 D N -0.997 119.414 120.400 0.018 0.000 2.117 141 D HA -0.175 4.465 4.640 -0.000 0.000 0.197 141 D C 1.470 177.802 176.300 0.054 0.000 0.987 141 D CA 1.013 55.033 54.000 0.034 0.000 0.829 141 D CB -0.229 40.652 40.800 0.135 0.000 0.961 141 D HN 0.266 nan 8.370 nan 0.000 0.460 142 Y N 1.050 121.321 120.300 -0.048 0.000 2.163 142 Y HA -0.108 4.442 4.550 -0.000 0.000 0.288 142 Y C 2.144 178.134 175.900 0.150 0.000 1.136 142 Y CA 1.148 59.239 58.100 -0.015 0.000 1.147 142 Y CB -0.492 37.950 38.460 -0.030 0.000 0.987 142 Y HN -0.042 nan 8.280 nan 0.000 0.509 143 L N -0.222 121.107 121.223 0.176 0.000 1.971 143 L HA -0.231 4.109 4.340 -0.000 0.000 0.215 143 L C 2.574 179.545 176.870 0.168 0.000 1.072 143 L CA 2.319 57.251 54.840 0.154 0.000 0.758 143 L CB -0.797 41.315 42.059 0.088 0.000 0.889 143 L HN 0.371 nan 8.230 nan 0.000 0.433 144 V N -2.452 117.526 119.914 0.107 0.000 2.759 144 V HA -0.169 3.951 4.120 -0.000 0.000 0.256 144 V C 2.526 178.687 176.094 0.112 0.000 1.080 144 V CA 1.758 64.130 62.300 0.122 0.000 1.101 144 V CB -0.750 31.155 31.823 0.137 0.000 0.698 144 V HN 0.665 nan 8.190 nan 0.000 0.477 145 S N 0.061 115.775 115.700 0.023 0.000 2.419 145 S HA -0.168 4.302 4.470 -0.000 0.000 0.233 145 S C 1.742 176.306 174.600 -0.059 0.000 1.016 145 S CA 1.554 59.723 58.200 -0.052 0.000 0.974 145 S CB -1.130 61.944 63.200 -0.209 0.000 0.786 145 S HN 0.609 nan 8.310 nan 0.000 0.492 146 F N 2.751 122.639 119.950 -0.104 0.000 2.202 146 F HA 0.067 4.594 4.527 -0.000 0.000 0.301 146 F C 2.772 178.533 175.800 -0.064 0.000 1.082 146 F CA 0.938 58.897 58.000 -0.069 0.000 1.313 146 F CB -1.076 37.870 39.000 -0.089 0.000 1.024 146 F HN 0.380 nan 8.300 nan 0.000 0.495 147 G N -0.040 108.854 108.800 0.157 0.000 2.545 147 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.217 147 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.217 147 G C 1.425 176.377 174.900 0.086 0.000 1.218 147 G CA 1.171 46.341 45.100 0.117 0.000 0.787 147 G HN 0.277 nan 8.290 nan 0.000 0.571 148 E N -0.552 119.699 120.200 0.084 0.000 2.208 148 E HA -0.006 4.344 4.350 -0.000 0.000 0.193 148 E C 2.454 179.055 176.600 0.001 0.000 0.988 148 E CA 0.543 56.978 56.400 0.058 0.000 0.828 148 E CB -0.436 29.314 29.700 0.083 0.000 0.763 148 E HN 0.407 nan 8.360 nan 0.000 0.478 149 C N 0.136 119.412 119.300 -0.040 0.000 2.429 149 C HA -0.050 4.410 4.460 -0.000 0.000 0.277 149 C C 2.448 177.266 174.990 -0.287 0.000 1.262 149 C CA 0.397 59.313 59.018 -0.170 0.000 1.733 149 C CB -0.901 26.709 27.740 -0.218 0.000 2.010 149 C HN 0.392 nan 8.230 nan 0.000 0.483 150 L N 0.271 121.373 121.223 -0.202 0.000 1.988 150 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 150 L C 2.798 179.667 176.870 -0.001 0.000 1.071 150 L CA 1.752 56.497 54.840 -0.157 0.000 0.744 150 L CB -0.907 41.021 42.059 -0.217 0.000 0.893 150 L HN 0.337 nan 8.230 nan 0.000 0.433 151 S N -0.269 115.472 115.700 0.068 0.000 2.369 151 S HA -0.284 4.186 4.470 -0.000 0.000 0.225 151 S C 2.117 176.758 174.600 0.069 0.000 1.043 151 S CA 2.636 60.890 58.200 0.090 0.000 1.074 151 S CB -0.540 62.700 63.200 0.067 0.000 0.962 151 S HN 0.647 nan 8.310 nan 0.000 0.433 152 T N 0.117 114.693 114.554 0.036 0.000 2.720 152 T HA -0.092 4.258 4.350 -0.000 0.000 0.268 152 T C 1.961 176.702 174.700 0.069 0.000 1.037 152 T CA 1.341 63.478 62.100 0.062 0.000 1.144 152 T CB -0.556 68.329 68.868 0.028 0.000 0.864 152 T HN 0.438 nan 8.240 nan 0.000 0.444 153 R N 0.501 120.996 120.500 -0.008 0.000 2.081 153 R HA 0.133 4.473 4.340 -0.000 0.000 0.235 153 R C 2.584 178.902 176.300 0.029 0.000 1.131 153 R CA 1.431 57.515 56.100 -0.028 0.000 0.960 153 R CB -0.566 29.660 30.300 -0.124 0.000 0.856 153 R HN 0.442 nan 8.270 nan 0.000 0.436 154 I N -0.271 120.338 120.570 0.065 0.000 2.142 154 I HA -0.309 3.861 4.170 -0.000 0.000 0.240 154 I C 2.118 178.319 176.117 0.140 0.000 1.078 154 I CA 1.325 62.682 61.300 0.094 0.000 1.343 154 I CB -0.268 37.794 38.000 0.103 0.000 1.046 154 I HN 0.083 nan 8.210 nan 0.000 0.405 155 F N 1.463 121.424 119.950 0.019 0.000 2.134 155 F HA -0.215 4.311 4.527 -0.000 0.000 0.299 155 F C 2.462 178.302 175.800 0.068 0.000 1.097 155 F CA 1.364 59.392 58.000 0.048 0.000 1.264 155 F CB -0.415 38.585 39.000 -0.001 0.000 1.001 155 F HN 0.009 nan 8.300 nan 0.000 0.479 156 A N 0.250 123.130 122.820 0.100 0.000 1.877 156 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 156 A C 2.434 179.975 177.584 -0.072 0.000 1.186 156 A CA 1.986 54.018 52.037 -0.007 0.000 0.620 156 A CB -1.606 17.399 19.000 0.008 0.000 0.822 156 A HN 0.457 nan 8.150 nan 0.000 0.443 157 A N -1.484 121.320 122.820 -0.027 0.000 1.908 157 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 157 A C 2.170 179.728 177.584 -0.043 0.000 1.181 157 A CA 1.868 53.889 52.037 -0.028 0.000 0.627 157 A CB -0.876 18.129 19.000 0.009 0.000 0.818 157 A HN 0.802 nan 8.150 nan 0.000 0.445 158 Y N 0.458 120.653 120.300 -0.175 0.000 2.181 158 Y HA -0.155 4.394 4.550 -0.000 0.000 0.288 158 Y C 1.955 177.687 175.900 -0.279 0.000 1.146 158 Y CA 1.680 59.648 58.100 -0.221 0.000 1.164 158 Y CB -0.411 37.896 38.460 -0.254 0.000 0.982 158 Y HN 0.217 nan 8.280 nan 0.000 0.515 159 L N 0.351 121.255 121.223 -0.531 0.000 2.013 159 L HA -0.318 4.022 4.340 -0.000 0.000 0.212 159 L C 2.178 178.826 176.870 -0.370 0.000 1.073 159 L CA 1.726 56.243 54.840 -0.538 0.000 0.753 159 L CB -0.694 41.120 42.059 -0.408 0.000 0.890 159 L HN 0.342 nan 8.230 nan 0.000 0.432 160 N N -0.896 117.654 118.700 -0.251 0.000 2.289 160 N HA -0.141 4.599 4.740 -0.000 0.000 0.184 160 N C 1.749 177.151 175.510 -0.180 0.000 1.016 160 N CA 1.634 54.579 53.050 -0.175 0.000 0.872 160 N CB -0.277 38.139 38.487 -0.117 0.000 0.973 160 N HN 0.334 nan 8.380 nan 0.000 0.433 161 T N 1.904 116.325 114.554 -0.222 0.000 2.788 161 T HA -0.058 4.292 4.350 -0.000 0.000 0.268 161 T C 1.804 176.365 174.700 -0.233 0.000 1.044 161 T CA 0.833 62.816 62.100 -0.195 0.000 1.139 161 T CB -0.069 68.702 68.868 -0.161 0.000 0.867 161 T HN 0.457 nan 8.240 nan 0.000 0.454 162 I N -2.158 118.199 120.570 -0.355 0.000 3.904 162 I HA 0.579 4.749 4.170 -0.000 0.000 0.333 162 I C 1.159 177.143 176.117 -0.222 0.000 1.361 162 I CA -0.025 61.086 61.300 -0.314 0.000 1.116 162 I CB 0.023 37.742 38.000 -0.469 0.000 1.028 162 I HN 0.245 nan 8.210 nan 0.000 0.398 163 G N 1.208 109.895 108.800 -0.187 0.000 2.144 163 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.218 163 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.218 163 G C -0.055 174.770 174.900 -0.125 0.000 0.988 163 G CA -0.026 44.994 45.100 -0.134 0.000 0.659 163 G HN 0.291 nan 8.290 nan 0.000 0.522 164 V N 1.204 121.024 119.914 -0.156 0.000 2.311 164 V HA 0.485 4.605 4.120 -0.000 0.000 0.275 164 V C 0.630 176.660 176.094 -0.106 0.000 1.022 164 V CA -1.053 61.175 62.300 -0.121 0.000 0.830 164 V CB 1.419 33.156 31.823 -0.143 0.000 1.012 164 V HN 0.345 nan 8.190 nan 0.000 0.452 165 K N 4.472 124.827 120.400 -0.074 0.000 2.436 165 K HA 0.498 4.818 4.320 -0.000 0.000 0.282 165 K C -0.177 176.405 176.600 -0.031 0.000 1.044 165 K CA 0.577 56.826 56.287 -0.065 0.000 1.028 165 K CB 0.277 32.733 32.500 -0.073 0.000 0.919 165 K HN 0.860 nan 8.250 nan 0.000 0.474 166 A N 4.507 127.303 122.820 -0.039 0.000 2.549 166 A HA 0.696 5.016 4.320 -0.000 0.000 0.297 166 A C -1.356 176.203 177.584 -0.041 0.000 1.061 166 A CA -0.884 51.147 52.037 -0.009 0.000 0.690 166 A CB 1.284 20.268 19.000 -0.027 0.000 1.287 166 A HN 0.738 nan 8.150 nan 0.000 0.402 167 R N 1.273 121.744 120.500 -0.048 0.000 2.476 167 R HA 0.520 4.859 4.340 -0.000 0.000 0.305 167 R C -0.629 175.479 176.300 -0.320 0.000 0.965 167 R CA -0.421 55.553 56.100 -0.209 0.000 0.867 167 R CB 1.345 31.480 30.300 -0.274 0.000 1.176 167 R HN 0.898 nan 8.270 nan 0.000 0.447 168 Q N 3.309 122.936 119.800 -0.288 0.000 2.293 168 Q HA 0.220 4.559 4.340 -0.000 0.000 0.251 168 Q C -1.678 174.103 176.000 -0.365 0.000 0.930 168 Q CA 0.239 55.920 55.803 -0.204 0.000 0.893 168 Q CB 1.009 29.690 28.738 -0.095 0.000 1.215 168 Q HN 0.602 nan 8.270 nan 0.000 0.425 169 Y N 1.359 121.650 120.300 -0.015 0.000 2.361 169 Y HA 0.309 4.859 4.550 -0.000 0.000 0.337 169 Y C -0.790 175.021 175.900 -0.148 0.000 0.965 169 Y CA -1.225 56.841 58.100 -0.057 0.000 1.091 169 Y CB 1.888 40.343 38.460 -0.009 0.000 1.182 169 Y HN 0.669 nan 8.280 nan 0.000 0.450 170 D N 2.405 122.733 120.400 -0.120 0.000 2.343 170 D HA 0.214 4.853 4.640 -0.000 0.000 0.255 170 D C 0.860 176.884 176.300 -0.461 0.000 1.187 170 D CA 0.174 53.885 54.000 -0.481 0.000 0.875 170 D CB 1.819 42.018 40.800 -1.003 0.000 1.136 170 D HN 0.777 nan 8.370 nan 0.000 0.469 171 A N 3.217 125.834 122.820 -0.339 0.000 1.948 171 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 171 A C 1.702 179.262 177.584 -0.040 0.000 1.177 171 A CA 1.324 53.236 52.037 -0.209 0.000 0.636 171 A CB -0.896 17.822 19.000 -0.470 0.000 0.815 171 A HN 0.685 nan 8.150 nan 0.000 0.449 172 F N -1.244 118.743 119.950 0.061 0.000 2.604 172 F HA 0.140 4.667 4.527 -0.000 0.000 0.298 172 F C 1.673 177.545 175.800 0.119 0.000 1.131 172 F CA 1.115 59.177 58.000 0.102 0.000 1.457 172 F CB -0.216 38.828 39.000 0.073 0.000 1.095 172 F HN 0.198 nan 8.300 nan 0.000 0.574 173 E N 1.443 121.554 120.200 -0.149 0.000 2.452 173 E HA 0.095 4.445 4.350 -0.000 0.000 0.197 173 E C 1.664 178.296 176.600 0.053 0.000 1.022 173 E CA 0.507 56.907 56.400 0.000 0.000 0.890 173 E CB 0.154 29.794 29.700 -0.101 0.000 0.918 173 E HN 0.743 nan 8.360 nan 0.000 0.496 174 I N -4.443 116.159 120.570 0.054 0.000 4.018 174 I HA 0.462 4.632 4.170 -0.000 0.000 0.337 174 I C 0.949 177.102 176.117 0.060 0.000 1.327 174 I CA 0.426 61.758 61.300 0.053 0.000 1.100 174 I CB 0.902 38.889 38.000 -0.021 0.000 1.025 174 I HN -0.002 nan 8.210 nan 0.000 0.396 175 G N 1.331 110.192 108.800 0.102 0.000 2.151 175 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.156 175 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.156 175 G C -0.329 174.560 174.900 -0.019 0.000 1.017 175 G CA -0.639 44.487 45.100 0.042 0.000 0.686 175 G HN 0.254 nan 8.290 nan 0.000 0.503 176 F N 1.918 121.857 119.950 -0.018 0.000 2.464 176 F HA 0.456 4.983 4.527 -0.000 0.000 0.353 176 F C 0.782 176.581 175.800 -0.002 0.000 1.191 176 F CA -0.616 57.364 58.000 -0.033 0.000 1.147 176 F CB 0.407 39.406 39.000 -0.000 0.000 1.294 176 F HN -0.022 nan 8.300 nan 0.000 0.583 177 I N 3.123 123.692 120.570 -0.002 0.000 2.359 177 I HA 0.392 4.562 4.170 -0.000 0.000 0.294 177 I C 0.315 176.424 176.117 -0.014 0.000 0.987 177 I CA -0.253 61.060 61.300 0.022 0.000 1.225 177 I CB 1.154 39.123 38.000 -0.053 0.000 1.366 177 I HN 0.341 nan 8.210 nan 0.000 0.466 178 T N 3.307 117.887 114.554 0.044 0.000 2.883 178 T HA 0.422 4.771 4.350 -0.000 0.000 0.301 178 T C 0.133 174.836 174.700 0.006 0.000 1.158 178 T CA -0.532 61.574 62.100 0.009 0.000 1.007 178 T CB 2.132 71.015 68.868 0.025 0.000 1.186 178 T HN 0.767 nan 8.240 nan 0.000 0.499 179 T N -0.659 113.872 114.554 -0.038 0.000 2.856 179 T HA 0.221 4.571 4.350 -0.000 0.000 0.306 179 T C 0.078 174.690 174.700 -0.146 0.000 1.062 179 T CA -0.273 61.797 62.100 -0.049 0.000 1.083 179 T CB 0.220 69.055 68.868 -0.055 0.000 0.984 179 T HN 0.474 nan 8.240 nan 0.000 0.542 180 D N 0.339 120.634 120.400 -0.175 0.000 2.370 180 D HA 0.130 4.770 4.640 -0.000 0.000 0.230 180 D C -0.221 175.739 176.300 -0.568 0.000 1.143 180 D CA -0.231 53.526 54.000 -0.404 0.000 0.834 180 D CB -0.033 40.634 40.800 -0.222 0.000 0.944 180 D HN 0.614 nan 8.370 nan 0.000 0.504 181 D N 0.002 120.186 120.400 -0.359 0.000 2.280 181 D HA 0.051 4.690 4.640 -0.000 0.000 0.243 181 D C 0.379 176.529 176.300 -0.248 0.000 1.129 181 D CA -0.517 53.347 54.000 -0.227 0.000 0.848 181 D CB 1.404 42.166 40.800 -0.063 0.000 1.107 181 D HN -0.014 nan 8.370 nan 0.000 0.471 182 F N 1.107 121.061 119.950 0.007 0.000 2.094 182 F HA -0.110 4.417 4.527 -0.000 0.000 0.291 182 F C 2.743 178.525 175.800 -0.030 0.000 1.109 182 F CA 0.895 58.888 58.000 -0.012 0.000 1.221 182 F CB -0.680 38.316 39.000 -0.006 0.000 1.014 182 F HN 0.260 nan 8.300 nan 0.000 0.473 183 T N -0.764 113.896 114.554 0.176 0.000 2.897 183 T HA -0.217 4.133 4.350 -0.000 0.000 0.271 183 T C 0.865 175.590 174.700 0.043 0.000 1.084 183 T CA 1.490 63.649 62.100 0.099 0.000 1.123 183 T CB -0.488 68.455 68.868 0.125 0.000 0.865 183 T HN 0.025 nan 8.240 nan 0.000 0.496 184 N N 0.730 119.445 118.700 0.025 0.000 2.672 184 N HA 0.291 5.031 4.740 -0.000 0.000 0.295 184 N C -0.162 175.327 175.510 -0.034 0.000 1.924 184 N CA -0.250 52.798 53.050 -0.002 0.000 0.851 184 N CB 0.286 38.781 38.487 0.013 0.000 1.281 184 N HN 0.172 nan 8.380 nan 0.000 0.494 185 G N 0.697 109.461 108.800 -0.060 0.000 2.299 185 G HA2 0.026 3.986 3.960 -0.000 0.000 0.256 185 G HA3 0.026 3.986 3.960 -0.000 0.000 0.256 185 G C -0.315 174.563 174.900 -0.036 0.000 1.259 185 G CA -0.058 44.997 45.100 -0.076 0.000 0.943 185 G HN 0.386 nan 8.290 nan 0.000 0.479 186 D N 2.099 122.475 120.400 -0.041 0.000 2.225 186 D HA 0.202 4.842 4.640 -0.000 0.000 0.248 186 D C 0.755 177.034 176.300 -0.035 0.000 1.096 186 D CA -0.502 53.481 54.000 -0.029 0.000 0.863 186 D CB 0.891 41.671 40.800 -0.033 0.000 1.156 186 D HN 0.221 nan 8.370 nan 0.000 0.450 187 I N 4.366 124.918 120.570 -0.029 0.000 2.517 187 I HA 0.011 4.180 4.170 -0.000 0.000 0.285 187 I C 0.367 176.403 176.117 -0.135 0.000 1.106 187 I CA -0.142 61.110 61.300 -0.079 0.000 1.402 187 I CB 0.366 38.310 38.000 -0.094 0.000 1.399 187 I HN 0.211 nan 8.210 nan 0.000 0.535 188 L N 6.510 127.623 121.223 -0.184 0.000 2.357 188 L HA 0.213 4.553 4.340 -0.000 0.000 0.273 188 L C 1.604 178.320 176.870 -0.256 0.000 1.080 188 L CA -0.551 54.163 54.840 -0.211 0.000 0.803 188 L CB 0.875 42.775 42.059 -0.264 0.000 1.174 188 L HN 0.566 nan 8.230 nan 0.000 0.443 189 E N 1.811 121.907 120.200 -0.174 0.000 2.219 189 E HA -0.220 4.130 4.350 -0.000 0.000 0.198 189 E C 1.783 178.306 176.600 -0.128 0.000 0.998 189 E CA 1.400 57.751 56.400 -0.083 0.000 0.818 189 E CB 0.154 29.836 29.700 -0.029 0.000 0.741 189 E HN 0.775 nan 8.360 nan 0.000 0.477 190 A N 0.244 122.930 122.820 -0.223 0.000 2.172 190 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 190 A C 2.255 179.697 177.584 -0.236 0.000 1.154 190 A CA 1.323 53.230 52.037 -0.216 0.000 0.701 190 A CB -0.413 18.413 19.000 -0.289 0.000 0.789 190 A HN 0.146 nan 8.150 nan 0.000 0.465 191 T N -0.886 113.446 114.554 -0.369 0.000 2.777 191 T HA -0.143 4.207 4.350 -0.000 0.000 0.266 191 T C 1.605 176.019 174.700 -0.477 0.000 1.040 191 T CA 1.817 63.615 62.100 -0.503 0.000 1.141 191 T CB -0.452 67.967 68.868 -0.747 0.000 0.868 191 T HN 0.663 nan 8.240 nan 0.000 0.444 192 Y N 1.255 121.417 120.300 -0.230 0.000 2.097 192 Y HA -0.080 4.470 4.550 -0.000 0.000 0.282 192 Y C -0.224 175.578 175.900 -0.164 0.000 1.152 192 Y CA 1.051 59.031 58.100 -0.200 0.000 1.136 192 Y CB -1.796 36.564 38.460 -0.166 0.000 0.975 192 Y HN 0.294 nan 8.280 nan 0.000 0.498 193 P HA -0.139 nan 4.420 nan 0.000 0.217 193 P C 1.329 178.599 177.300 -0.051 0.000 1.150 193 P CA 2.061 65.143 63.100 -0.031 0.000 0.832 193 P CB -0.118 31.563 31.700 -0.031 0.000 0.787 194 A N -0.581 122.194 122.820 -0.075 0.000 1.898 194 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 194 A C 2.337 179.883 177.584 -0.065 0.000 1.181 194 A CA 1.702 53.702 52.037 -0.062 0.000 0.620 194 A CB -1.611 17.348 19.000 -0.070 0.000 0.819 194 A HN 0.037 nan 8.150 nan 0.000 0.442 195 V N -0.335 119.510 119.914 -0.114 0.000 2.379 195 V HA -0.154 3.966 4.120 -0.000 0.000 0.245 195 V C 3.047 179.104 176.094 -0.062 0.000 1.044 195 V CA 1.685 63.920 62.300 -0.109 0.000 1.036 195 V CB -1.058 30.642 31.823 -0.204 0.000 0.664 195 V HN 0.598 nan 8.190 nan 0.000 0.453 196 A N -0.473 122.310 122.820 -0.063 0.000 1.908 196 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 196 A C 2.360 179.933 177.584 -0.018 0.000 1.181 196 A CA 2.045 54.040 52.037 -0.070 0.000 0.627 196 A CB -0.475 18.448 19.000 -0.128 0.000 0.818 196 A HN 0.385 nan 8.150 nan 0.000 0.445 197 K N -0.781 119.614 120.400 -0.009 0.000 2.057 197 K HA -0.106 4.214 4.320 -0.000 0.000 0.206 197 K C 2.278 178.924 176.600 0.078 0.000 1.050 197 K CA 0.943 57.252 56.287 0.038 0.000 0.935 197 K CB -0.252 32.259 32.500 0.018 0.000 0.715 197 K HN 0.274 nan 8.250 nan 0.000 0.439 198 R N 0.860 121.385 120.500 0.041 0.000 2.073 198 R HA 0.016 4.356 4.340 -0.000 0.000 0.229 198 R C 2.358 178.687 176.300 0.049 0.000 1.120 198 R CA 0.806 56.930 56.100 0.040 0.000 0.967 198 R CB -0.470 29.830 30.300 -0.001 0.000 0.862 198 R HN 0.238 nan 8.270 nan 0.000 0.436 199 L N -1.022 120.216 121.223 0.026 0.000 2.217 199 L HA -0.121 4.219 4.340 -0.000 0.000 0.211 199 L C 1.988 178.998 176.870 0.234 0.000 1.107 199 L CA 0.972 55.838 54.840 0.044 0.000 0.783 199 L CB -0.321 41.732 42.059 -0.010 0.000 0.919 199 L HN 0.197 nan 8.230 nan 0.000 0.442 200 Y N 0.014 120.350 120.300 0.060 0.000 2.314 200 Y HA -0.180 4.370 4.550 -0.000 0.000 0.294 200 Y C 2.364 178.368 175.900 0.173 0.000 1.119 200 Y CA 0.597 58.770 58.100 0.122 0.000 1.179 200 Y CB 0.246 38.747 38.460 0.068 0.000 1.025 200 Y HN 0.178 nan 8.280 nan 0.000 0.541 201 D N 0.204 120.751 120.400 0.246 0.000 2.149 201 D HA -0.183 4.457 4.640 -0.000 0.000 0.198 201 D C 1.434 177.839 176.300 0.175 0.000 0.990 201 D CA 1.529 55.635 54.000 0.177 0.000 0.839 201 D CB -0.286 40.589 40.800 0.124 0.000 0.948 201 D HN 0.380 nan 8.370 nan 0.000 0.460 202 D N -0.650 119.870 120.400 0.200 0.000 2.149 202 D HA -0.112 4.528 4.640 -0.000 0.000 0.201 202 D C 1.870 178.314 176.300 0.241 0.000 0.972 202 D CA 0.350 54.485 54.000 0.226 0.000 0.835 202 D CB -0.326 40.661 40.800 0.313 0.000 0.966 202 D HN 0.385 nan 8.370 nan 0.000 0.476 203 W N 0.835 122.154 121.300 0.033 0.000 2.418 203 W HA -0.095 4.565 4.660 -0.000 0.000 0.292 203 W C 1.438 177.918 176.519 -0.064 0.000 1.213 203 W CA 0.572 57.890 57.345 -0.045 0.000 1.283 203 W CB 0.022 29.371 29.460 -0.185 0.000 1.119 203 W HN -0.096 nan 8.180 nan 0.000 0.542 204 M N -0.367 119.281 119.600 0.080 0.000 2.156 204 M HA -0.159 4.321 4.480 -0.000 0.000 0.264 204 M C 2.167 178.454 176.300 -0.022 0.000 1.067 204 M CA 1.496 56.799 55.300 0.005 0.000 1.131 204 M CB -2.101 30.550 32.600 0.085 0.000 1.368 204 M HN 0.127 nan 8.290 nan 0.000 0.416 205 H N 0.989 120.037 119.070 -0.035 0.000 2.267 205 H HA -0.114 4.442 4.556 -0.000 0.000 0.297 205 H C -0.416 174.854 175.328 -0.096 0.000 1.080 205 H CA 1.937 57.961 56.048 -0.040 0.000 1.278 205 H CB 0.345 30.106 29.762 -0.001 0.000 1.365 205 H HN 0.328 nan 8.280 nan 0.000 0.489 206 D N -0.192 120.170 120.400 -0.063 0.000 2.764 206 D HA 0.166 4.806 4.640 -0.000 0.000 0.227 206 D C -3.090 173.032 176.300 -0.297 0.000 1.347 206 D CA -2.041 51.837 54.000 -0.203 0.000 0.953 206 D CB 1.817 42.531 40.800 -0.143 0.000 1.476 206 D HN 0.076 nan 8.370 nan 0.000 0.585 207 P HA 0.394 nan 4.420 nan 0.000 0.266 207 P C -0.830 176.148 177.300 -0.537 0.000 1.215 207 P CA -0.065 62.358 63.100 -1.128 0.000 0.763 207 P CB 0.955 31.619 31.700 -1.727 0.000 0.806 208 A N 3.775 126.497 122.820 -0.164 0.000 2.498 208 A HA 0.487 4.807 4.320 -0.000 0.000 0.298 208 A C -0.587 177.202 177.584 0.343 0.000 1.075 208 A CA -0.769 51.307 52.037 0.065 0.000 0.714 208 A CB 1.471 20.495 19.000 0.040 0.000 1.299 208 A HN 0.261 nan 8.150 nan 0.000 0.407 209 V N 3.012 123.089 119.914 0.271 0.000 2.421 209 V HA 0.202 4.322 4.120 -0.000 0.000 0.271 209 V C -2.172 174.084 176.094 0.271 0.000 1.031 209 V CA -0.703 61.777 62.300 0.300 0.000 1.032 209 V CB 0.268 32.217 31.823 0.211 0.000 1.009 209 V HN 0.688 nan 8.190 nan 0.000 0.477 210 P HA 0.238 nan 4.420 nan 0.000 0.271 210 P C -0.648 176.843 177.300 0.318 0.000 1.220 210 P CA -0.043 63.308 63.100 0.418 0.000 0.768 210 P CB 0.429 32.396 31.700 0.445 0.000 0.848 211 I N 4.355 125.098 120.570 0.289 0.000 2.405 211 I HA 0.217 4.387 4.170 -0.000 0.000 0.280 211 I C -0.226 176.017 176.117 0.210 0.000 1.027 211 I CA -0.764 60.672 61.300 0.227 0.000 1.161 211 I CB 1.044 39.170 38.000 0.210 0.000 1.300 211 I HN 0.016 nan 8.210 nan 0.000 0.463 212 V N 4.495 124.521 119.914 0.187 0.000 2.472 212 V HA 0.394 4.514 4.120 -0.000 0.000 0.290 212 V C 0.902 177.022 176.094 0.042 0.000 1.037 212 V CA -0.756 61.621 62.300 0.130 0.000 0.908 212 V CB 1.665 33.551 31.823 0.104 0.000 0.985 212 V HN 0.841 nan 8.190 nan 0.000 0.454 213 T N 1.589 116.139 114.554 -0.007 0.000 2.940 213 T HA 0.275 4.624 4.350 -0.000 0.000 0.309 213 T C 1.220 175.883 174.700 -0.063 0.000 1.056 213 T CA 0.252 62.339 62.100 -0.021 0.000 1.137 213 T CB 1.274 70.127 68.868 -0.025 0.000 0.976 213 T HN 0.909 nan 8.240 nan 0.000 0.547 214 G N 0.617 109.417 108.800 -0.000 0.000 2.608 214 G HA2 0.076 4.035 3.960 -0.000 0.000 0.210 214 G HA3 0.076 4.035 3.960 -0.000 0.000 0.210 214 G C 0.609 175.548 174.900 0.066 0.000 1.139 214 G CA -0.243 44.855 45.100 -0.003 0.000 0.812 214 G HN 0.680 nan 8.290 nan 0.000 0.529 215 F N 1.560 121.466 119.950 -0.074 0.000 2.693 215 F HA 0.555 5.082 4.527 -0.000 0.000 0.303 215 F C 0.111 175.887 175.800 -0.039 0.000 1.097 215 F CA -1.606 56.367 58.000 -0.044 0.000 1.330 215 F CB -0.173 38.822 39.000 -0.008 0.000 1.067 215 F HN -0.190 nan 8.300 nan 0.000 0.565 216 L N -0.536 120.675 121.223 -0.019 0.000 2.341 216 L HA 0.837 5.177 4.340 -0.000 0.000 0.267 216 L C 0.257 177.103 176.870 -0.040 0.000 1.009 216 L CA -0.759 54.062 54.840 -0.031 0.000 0.819 216 L CB 1.776 43.914 42.059 0.132 0.000 1.323 216 L HN -0.002 nan 8.230 nan 0.000 0.425 217 G N 0.614 109.465 108.800 0.086 0.000 2.687 217 G HA2 0.503 4.463 3.960 -0.000 0.000 0.291 217 G HA3 0.503 4.463 3.960 -0.000 0.000 0.291 217 G C -2.147 172.877 174.900 0.206 0.000 1.420 217 G CA -0.535 44.678 45.100 0.188 0.000 0.796 217 G HN 0.426 nan 8.290 nan 0.000 0.485 218 K N -0.018 120.515 120.400 0.222 0.000 2.376 218 K HA 0.586 4.906 4.320 -0.000 0.000 0.257 218 K C 0.469 177.149 176.600 0.134 0.000 0.939 218 K CA -0.584 55.813 56.287 0.184 0.000 0.809 218 K CB 1.432 34.081 32.500 0.248 0.000 1.121 218 K HN 0.752 nan 8.250 nan 0.000 0.425 219 G N 3.126 111.972 108.800 0.077 0.000 2.432 219 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.239 219 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.239 219 G C 0.472 175.465 174.900 0.155 0.000 1.291 219 G CA -0.471 44.657 45.100 0.046 0.000 0.863 219 G HN 0.998 nan 8.290 nan 0.000 0.560 220 W N 2.556 123.828 121.300 -0.046 0.000 2.354 220 W HA -0.114 4.546 4.660 -0.000 0.000 0.315 220 W C 1.989 178.499 176.519 -0.016 0.000 1.206 220 W CA 1.423 58.752 57.345 -0.027 0.000 1.290 220 W CB 0.288 29.727 29.460 -0.036 0.000 1.152 220 W HN 0.691 nan 8.180 nan 0.000 0.489 221 K N -0.473 119.860 120.400 -0.111 0.000 2.355 221 K HA 0.108 4.428 4.320 -0.000 0.000 0.198 221 K C 1.380 177.909 176.600 -0.119 0.000 1.039 221 K CA 1.109 57.247 56.287 -0.249 0.000 1.075 221 K CB -0.117 32.264 32.500 -0.199 0.000 0.870 221 K HN 0.013 nan 8.250 nan 0.000 0.540 222 T N -2.946 111.584 114.554 -0.040 0.000 3.040 222 T HA 0.213 4.563 4.350 -0.000 0.000 0.252 222 T C 1.638 176.343 174.700 0.009 0.000 1.064 222 T CA 0.485 62.593 62.100 0.013 0.000 1.110 222 T CB 0.142 69.080 68.868 0.116 0.000 0.921 222 T HN 0.340 nan 8.240 nan 0.000 0.480 223 G N 1.837 110.643 108.800 0.010 0.000 2.175 223 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.265 223 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.265 223 G C 0.278 175.208 174.900 0.050 0.000 0.979 223 G CA 0.139 45.257 45.100 0.030 0.000 0.663 223 G HN 1.179 nan 8.290 nan 0.000 0.533 224 A N -0.410 122.457 122.820 0.078 0.000 2.293 224 A HA 0.769 5.089 4.320 -0.000 0.000 0.302 224 A C 0.737 178.382 177.584 0.102 0.000 1.119 224 A CA 0.078 52.173 52.037 0.096 0.000 0.823 224 A CB 1.156 20.277 19.000 0.202 0.000 1.097 224 A HN 1.180 nan 8.150 nan 0.000 0.491 225 V N 1.562 121.478 119.914 0.003 0.000 2.673 225 V HA 0.291 4.411 4.120 -0.000 0.000 0.303 225 V C 0.749 176.901 176.094 0.097 0.000 1.046 225 V CA 0.554 62.792 62.300 -0.104 0.000 1.126 225 V CB 0.627 32.269 31.823 -0.302 0.000 0.934 225 V HN 0.912 nan 8.190 nan 0.000 0.487 226 T N 3.027 117.608 114.554 0.045 0.000 2.893 226 T HA 0.561 4.911 4.350 -0.000 0.000 0.293 226 T C -0.094 174.558 174.700 -0.079 0.000 1.027 226 T CA -0.463 61.664 62.100 0.045 0.000 0.988 226 T CB 1.732 70.587 68.868 -0.021 0.000 1.043 226 T HN 0.953 nan 8.240 nan 0.000 0.461 227 T N 1.059 115.500 114.554 -0.188 0.000 2.902 227 T HA 0.526 4.876 4.350 -0.000 0.000 0.283 227 T C 1.076 175.583 174.700 -0.321 0.000 1.009 227 T CA -0.896 60.891 62.100 -0.521 0.000 1.051 227 T CB 0.654 68.877 68.868 -1.074 0.000 0.999 227 T HN 0.439 nan 8.240 nan 0.000 0.474 228 L N 2.013 123.104 121.223 -0.221 0.000 2.627 228 L HA 0.331 4.671 4.340 -0.000 0.000 0.233 228 L C 1.742 178.669 176.870 0.095 0.000 1.144 228 L CA 0.176 55.034 54.840 0.030 0.000 0.892 228 L CB -1.525 40.612 42.059 0.131 0.000 1.039 228 L HN 1.238 nan 8.230 nan 0.000 0.442 229 G N 0.843 109.723 108.800 0.133 0.000 2.598 229 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.244 229 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.244 229 G C -0.076 174.910 174.900 0.143 0.000 1.302 229 G CA -0.466 44.714 45.100 0.133 0.000 0.903 229 G HN 0.347 nan 8.290 nan 0.000 0.575 230 R N 0.368 120.788 120.500 -0.134 0.000 2.817 230 R HA 0.364 4.704 4.340 -0.000 0.000 0.264 230 R C 1.794 177.870 176.300 -0.374 0.000 1.009 230 R CA 1.736 57.605 56.100 -0.384 0.000 1.133 230 R CB -0.134 29.640 30.300 -0.878 0.000 1.013 230 R HN 2.363 nan 8.270 nan 0.000 0.453 231 G N 0.136 108.755 108.800 -0.301 0.000 2.358 231 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.224 231 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.224 231 G C 0.821 175.707 174.900 -0.024 0.000 1.073 231 G CA 0.082 45.123 45.100 -0.098 0.000 0.635 231 G HN 1.181 nan 8.290 nan 0.000 0.509 232 G N 0.159 108.959 108.800 0.000 0.000 2.661 232 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.327 232 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.327 232 G C 1.417 176.340 174.900 0.037 0.000 1.320 232 G CA 2.162 47.241 45.100 -0.035 0.000 0.997 232 G HN 1.641 nan 8.290 nan 0.000 0.543 233 S N 0.748 116.417 115.700 -0.051 0.000 2.419 233 S HA -0.063 4.407 4.470 -0.000 0.000 0.233 233 S C 1.866 176.479 174.600 0.022 0.000 1.016 233 S CA 1.696 59.898 58.200 0.002 0.000 0.974 233 S CB -0.364 62.824 63.200 -0.019 0.000 0.786 233 S HN 0.590 nan 8.310 nan 0.000 0.492 234 D N 1.524 121.932 120.400 0.013 0.000 2.104 234 D HA -0.104 4.536 4.640 -0.000 0.000 0.194 234 D C 1.917 178.257 176.300 0.066 0.000 0.994 234 D CA 0.742 54.762 54.000 0.033 0.000 0.830 234 D CB -0.483 40.336 40.800 0.033 0.000 0.959 234 D HN 0.238 nan 8.370 nan 0.000 0.452 235 L N 1.097 122.367 121.223 0.078 0.000 2.042 235 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 235 L C 2.235 179.209 176.870 0.173 0.000 1.076 235 L CA 1.808 56.718 54.840 0.115 0.000 0.749 235 L CB -1.045 41.082 42.059 0.113 0.000 0.893 235 L HN -0.037 nan 8.230 nan 0.000 0.432 236 T N -0.111 114.538 114.554 0.158 0.000 2.720 236 T HA -0.220 4.130 4.350 -0.000 0.000 0.268 236 T C 1.898 176.732 174.700 0.224 0.000 1.037 236 T CA 1.521 63.738 62.100 0.196 0.000 1.144 236 T CB -0.598 68.247 68.868 -0.038 0.000 0.864 236 T HN 0.558 nan 8.240 nan 0.000 0.444 237 A N 1.756 124.655 122.820 0.131 0.000 1.877 237 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 237 A C 2.662 180.315 177.584 0.115 0.000 1.186 237 A CA 2.349 54.452 52.037 0.110 0.000 0.620 237 A CB -1.293 17.745 19.000 0.064 0.000 0.822 237 A HN 0.644 nan 8.150 nan 0.000 0.443 238 T N -3.186 111.436 114.554 0.114 0.000 2.821 238 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 238 T C 1.829 176.608 174.700 0.132 0.000 1.046 238 T CA 1.953 64.116 62.100 0.104 0.000 1.139 238 T CB -1.046 67.880 68.868 0.096 0.000 0.871 238 T HN 0.330 nan 8.240 nan 0.000 0.454 239 T N 2.561 117.224 114.554 0.181 0.000 2.622 239 T HA -0.007 4.343 4.350 -0.000 0.000 0.266 239 T C 1.922 176.723 174.700 0.168 0.000 1.047 239 T CA 1.678 63.900 62.100 0.204 0.000 1.159 239 T CB -0.603 68.339 68.868 0.123 0.000 0.863 239 T HN 0.382 nan 8.240 nan 0.000 0.422 240 I N 1.271 121.941 120.570 0.166 0.000 2.194 240 I HA -0.194 3.976 4.170 -0.000 0.000 0.246 240 I C 2.840 179.001 176.117 0.075 0.000 1.093 240 I CA 1.389 62.759 61.300 0.117 0.000 1.355 240 I CB -0.842 37.249 38.000 0.151 0.000 1.046 240 I HN 0.348 nan 8.210 nan 0.000 0.413 241 G N 0.749 109.593 108.800 0.073 0.000 2.491 241 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.218 241 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.218 241 G C 1.678 176.578 174.900 0.000 0.000 1.180 241 G CA 1.183 46.303 45.100 0.033 0.000 0.774 241 G HN 0.347 nan 8.290 nan 0.000 0.562 242 K N 0.580 120.980 120.400 0.001 0.000 2.057 242 K HA 0.057 4.377 4.320 -0.000 0.000 0.207 242 K C 2.763 179.300 176.600 -0.106 0.000 1.049 242 K CA 1.317 57.541 56.287 -0.106 0.000 0.931 242 K CB -0.342 32.021 32.500 -0.228 0.000 0.714 242 K HN 0.216 nan 8.250 nan 0.000 0.440 243 A N 0.421 123.272 122.820 0.052 0.000 1.972 243 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 243 A C 1.680 179.231 177.584 -0.055 0.000 1.169 243 A CA 1.208 53.284 52.037 0.065 0.000 0.635 243 A CB -0.145 18.916 19.000 0.101 0.000 0.810 243 A HN 0.304 nan 8.150 nan 0.000 0.446 244 L N -1.298 119.890 121.223 -0.058 0.000 2.693 244 L HA 0.330 4.670 4.340 -0.000 0.000 0.235 244 L C 1.424 178.235 176.870 -0.099 0.000 1.127 244 L CA 0.847 55.626 54.840 -0.101 0.000 0.914 244 L CB -0.020 42.014 42.059 -0.042 0.000 1.193 244 L HN 0.468 nan 8.230 nan 0.000 0.502 245 G N 0.855 109.601 108.800 -0.089 0.000 2.356 245 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.296 245 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.296 245 G C 0.345 175.213 174.900 -0.055 0.000 1.022 245 G CA 0.321 45.371 45.100 -0.082 0.000 0.961 245 G HN 0.291 nan 8.290 nan 0.000 0.510 246 L N -1.479 119.720 121.223 -0.039 0.000 2.476 246 L HA 0.304 4.644 4.340 -0.000 0.000 0.255 246 L C 2.030 178.887 176.870 -0.022 0.000 1.218 246 L CA -0.381 54.443 54.840 -0.026 0.000 0.819 246 L CB 0.261 42.309 42.059 -0.017 0.000 1.119 246 L HN 0.154 nan 8.230 nan 0.000 0.485 247 K N 0.335 120.724 120.400 -0.019 0.000 2.057 247 K HA -0.081 4.239 4.320 -0.000 0.000 0.206 247 K C 0.043 176.634 176.600 -0.015 0.000 1.050 247 K CA 1.207 57.483 56.287 -0.017 0.000 0.935 247 K CB -0.006 32.482 32.500 -0.019 0.000 0.715 247 K HN 0.696 nan 8.250 nan 0.000 0.439 248 E N 0.025 120.213 120.200 -0.020 0.000 2.412 248 E HA 0.402 4.752 4.350 -0.000 0.000 0.279 248 E C -1.305 175.283 176.600 -0.020 0.000 0.984 248 E CA -0.803 55.584 56.400 -0.022 0.000 0.788 248 E CB 1.363 31.035 29.700 -0.047 0.000 1.277 248 E HN -0.073 nan 8.360 nan 0.000 0.455 249 I N 1.650 122.210 120.570 -0.016 0.000 2.354 249 I HA 0.229 4.399 4.170 -0.000 0.000 0.292 249 I C -0.317 175.757 176.117 -0.071 0.000 0.989 249 I CA -0.507 60.784 61.300 -0.016 0.000 1.188 249 I CB 1.664 39.676 38.000 0.020 0.000 1.342 249 I HN 0.384 nan 8.210 nan 0.000 0.457 250 Q N 5.021 124.767 119.800 -0.091 0.000 2.293 250 Q HA 0.591 4.931 4.340 -0.000 0.000 0.261 250 Q C -1.179 174.675 176.000 -0.243 0.000 0.960 250 Q CA -0.739 54.931 55.803 -0.222 0.000 0.882 250 Q CB 3.015 31.621 28.738 -0.219 0.000 1.275 250 Q HN 0.410 nan 8.270 nan 0.000 0.445 251 V N 2.942 122.649 119.914 -0.345 0.000 2.409 251 V HA 0.334 4.454 4.120 -0.000 0.000 0.291 251 V C -1.060 174.792 176.094 -0.404 0.000 1.020 251 V CA -0.734 61.405 62.300 -0.269 0.000 0.848 251 V CB 0.740 32.469 31.823 -0.156 0.000 0.990 251 V HN 0.689 nan 8.190 nan 0.000 0.430 252 W N 4.825 125.912 121.300 -0.356 0.000 2.365 252 W HA 0.653 5.313 4.660 -0.000 0.000 0.316 252 W C 0.387 176.822 176.519 -0.140 0.000 1.164 252 W CA -0.312 56.853 57.345 -0.300 0.000 1.204 252 W CB 1.072 30.193 29.460 -0.565 0.000 1.213 252 W HN 0.348 nan 8.180 nan 0.000 0.539 253 K N 0.767 121.251 120.400 0.140 0.000 2.399 253 K HA 0.209 4.529 4.320 -0.000 0.000 0.260 253 K C -0.368 176.333 176.600 0.168 0.000 1.049 253 K CA -0.864 55.488 56.287 0.108 0.000 0.890 253 K CB 1.796 34.310 32.500 0.023 0.000 1.430 253 K HN 0.223 nan 8.250 nan 0.000 0.459 254 D N 0.753 121.248 120.400 0.158 0.000 2.349 254 D HA 0.055 4.695 4.640 -0.000 0.000 0.214 254 D C 0.314 176.750 176.300 0.227 0.000 1.063 254 D CA 0.473 54.630 54.000 0.262 0.000 0.847 254 D CB 0.468 41.439 40.800 0.285 0.000 0.933 254 D HN 0.281 nan 8.370 nan 0.000 0.513 255 V N -2.514 117.471 119.914 0.118 0.000 3.155 255 V HA 0.442 4.562 4.120 -0.000 0.000 0.313 255 V C -0.232 175.878 176.094 0.027 0.000 1.162 255 V CA -1.023 61.313 62.300 0.060 0.000 1.048 255 V CB 2.053 33.883 31.823 0.012 0.000 1.092 255 V HN -0.319 nan 8.190 nan 0.000 0.447 256 D N 1.998 122.395 120.400 -0.004 0.000 2.671 256 D HA 0.453 5.093 4.640 -0.000 0.000 0.228 256 D C 0.983 177.236 176.300 -0.078 0.000 1.102 256 D CA 1.707 55.686 54.000 -0.035 0.000 1.044 256 D CB -0.112 40.666 40.800 -0.036 0.000 1.113 256 D HN 1.324 nan 8.370 nan 0.000 0.480 257 G N -0.075 108.670 108.800 -0.091 0.000 2.498 257 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.251 257 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.251 257 G C -0.205 174.635 174.900 -0.099 0.000 1.170 257 G CA -0.281 44.746 45.100 -0.122 0.000 0.944 257 G HN 0.331 nan 8.290 nan 0.000 0.567 258 V N 1.641 121.491 119.914 -0.106 0.000 2.439 258 V HA 0.637 4.757 4.120 -0.000 0.000 0.282 258 V C 0.882 176.920 176.094 -0.093 0.000 1.039 258 V CA -0.250 61.998 62.300 -0.088 0.000 0.913 258 V CB 1.023 32.797 31.823 -0.083 0.000 0.983 258 V HN 0.661 nan 8.190 nan 0.000 0.460 259 L N 3.123 124.294 121.223 -0.086 0.000 2.331 259 L HA 0.450 4.790 4.340 -0.000 0.000 0.268 259 L C 1.662 178.455 176.870 -0.129 0.000 1.015 259 L CA -0.502 54.275 54.840 -0.104 0.000 0.807 259 L CB 1.649 43.654 42.059 -0.091 0.000 1.293 259 L HN 0.774 nan 8.230 nan 0.000 0.451 260 T N -3.457 110.979 114.554 -0.196 0.000 3.072 260 T HA 0.009 4.359 4.350 -0.000 0.000 0.266 260 T C 0.425 175.054 174.700 -0.118 0.000 1.127 260 T CA 0.382 62.265 62.100 -0.362 0.000 1.107 260 T CB -0.646 67.686 68.868 -0.894 0.000 0.910 260 T HN 0.750 nan 8.240 nan 0.000 0.513 261 C N -1.064 118.210 119.300 -0.044 0.000 3.253 261 C HA 0.636 5.096 4.460 -0.000 0.000 0.362 261 C C -1.738 173.235 174.990 -0.028 0.000 1.487 261 C CA -1.441 57.582 59.018 0.009 0.000 1.179 261 C CB 0.961 28.750 27.740 0.082 0.000 1.660 261 C HN 0.226 nan 8.230 nan 0.000 0.438 262 D N 2.143 122.540 120.400 -0.006 0.000 2.325 262 D HA 0.410 5.050 4.640 -0.000 0.000 0.251 262 D C -0.941 175.341 176.300 -0.029 0.000 1.196 262 D CA -1.873 52.118 54.000 -0.015 0.000 0.866 262 D CB 1.234 42.036 40.800 0.003 0.000 1.101 262 D HN 0.419 nan 8.370 nan 0.000 0.476 263 P HA -0.128 nan 4.420 nan 0.000 0.221 263 P C 1.021 178.294 177.300 -0.045 0.000 1.145 263 P CA 0.863 63.916 63.100 -0.078 0.000 0.795 263 P CB 0.142 31.794 31.700 -0.081 0.000 0.775 264 T N -0.162 114.378 114.554 -0.023 0.000 2.881 264 T HA -0.059 4.291 4.350 -0.000 0.000 0.270 264 T C 1.851 176.558 174.700 0.012 0.000 1.068 264 T CA 1.048 63.143 62.100 -0.008 0.000 1.131 264 T CB -0.472 68.393 68.868 -0.004 0.000 0.871 264 T HN 0.161 nan 8.240 nan 0.000 0.479 265 I N -2.021 118.564 120.570 0.026 0.000 2.810 265 I HA 0.205 4.375 4.170 -0.000 0.000 0.262 265 I C 0.302 176.493 176.117 0.123 0.000 1.131 265 I CA 0.273 61.607 61.300 0.056 0.000 1.453 265 I CB 0.469 38.499 38.000 0.051 0.000 1.161 265 I HN 0.169 nan 8.210 nan 0.000 0.444 266 Y N 0.909 121.160 120.300 -0.081 0.000 2.362 266 Y HA 0.244 4.794 4.550 -0.000 0.000 0.326 266 Y C 0.696 176.514 175.900 -0.137 0.000 1.083 266 Y CA -0.994 57.039 58.100 -0.111 0.000 1.073 266 Y CB 1.073 39.440 38.460 -0.155 0.000 1.211 266 Y HN -0.221 nan 8.280 nan 0.000 0.433 267 K N 3.431 123.629 120.400 -0.337 0.000 2.281 267 K HA -0.061 4.259 4.320 -0.000 0.000 0.203 267 K C 1.060 177.383 176.600 -0.462 0.000 1.046 267 K CA 1.007 57.097 56.287 -0.328 0.000 0.938 267 K CB 0.085 32.457 32.500 -0.213 0.000 0.737 267 K HN 0.710 nan 8.250 nan 0.000 0.458 268 R N 0.717 120.686 120.500 -0.885 0.000 2.325 268 R HA 0.130 4.470 4.340 -0.000 0.000 0.214 268 R C 0.227 176.273 176.300 -0.424 0.000 0.961 268 R CA -0.046 55.662 56.100 -0.654 0.000 1.086 268 R CB -0.167 29.656 30.300 -0.794 0.000 1.037 268 R HN 0.022 nan 8.270 nan 0.000 0.493 269 A N 1.548 124.117 122.820 -0.417 0.000 2.567 269 A HA 0.065 4.385 4.320 -0.000 0.000 0.240 269 A C 0.099 177.613 177.584 -0.118 0.000 1.053 269 A CA 0.693 52.595 52.037 -0.225 0.000 0.755 269 A CB 0.153 19.047 19.000 -0.177 0.000 0.978 269 A HN 0.106 nan 8.150 nan 0.000 0.507 270 T N 4.878 119.388 114.554 -0.073 0.000 2.885 270 T HA 0.568 4.918 4.350 -0.000 0.000 0.285 270 T C -2.756 171.881 174.700 -0.105 0.000 1.019 270 T CA -1.070 60.984 62.100 -0.075 0.000 1.010 270 T CB 1.560 70.401 68.868 -0.045 0.000 1.022 270 T HN 0.432 nan 8.240 nan 0.000 0.466 271 P HA 0.127 nan 4.420 nan 0.000 0.265 271 P C -0.833 176.398 177.300 -0.114 0.000 1.193 271 P CA -0.214 62.824 63.100 -0.103 0.000 0.765 271 P CB 0.323 31.965 31.700 -0.096 0.000 0.823 272 V N 6.953 126.793 119.914 -0.124 0.000 2.270 272 V HA 0.122 4.242 4.120 -0.000 0.000 0.263 272 V C -1.084 174.911 176.094 -0.164 0.000 1.066 272 V CA -1.225 61.008 62.300 -0.111 0.000 0.857 272 V CB 0.832 32.603 31.823 -0.087 0.000 1.099 272 V HN 0.603 nan 8.190 nan 0.000 0.476 273 P HA -0.129 nan 4.420 nan 0.000 0.215 273 P C -0.121 176.757 177.300 -0.705 0.000 1.153 273 P CA 1.455 64.232 63.100 -0.538 0.000 0.853 273 P CB 0.190 31.475 31.700 -0.691 0.000 0.788 274 Y N -1.483 118.784 120.300 -0.055 0.000 2.462 274 Y HA 0.602 5.152 4.550 -0.000 0.000 0.346 274 Y C 0.107 175.962 175.900 -0.075 0.000 0.976 274 Y CA -1.262 56.796 58.100 -0.070 0.000 1.044 274 Y CB 1.637 40.066 38.460 -0.051 0.000 1.230 274 Y HN -0.268 nan 8.280 nan 0.000 0.455 275 L N 1.190 122.436 121.223 0.039 0.000 2.424 275 L HA 0.662 5.002 4.340 -0.000 0.000 0.258 275 L C -0.504 176.311 176.870 -0.090 0.000 0.995 275 L CA -0.364 54.454 54.840 -0.036 0.000 0.821 275 L CB 2.798 44.802 42.059 -0.091 0.000 1.383 275 L HN 0.643 nan 8.230 nan 0.000 0.410 276 T N 2.158 116.670 114.554 -0.069 0.000 2.902 276 T HA 0.305 4.655 4.350 -0.000 0.000 0.283 276 T C 1.182 175.840 174.700 -0.070 0.000 1.009 276 T CA -0.032 62.032 62.100 -0.060 0.000 1.051 276 T CB 0.598 69.471 68.868 0.007 0.000 0.999 276 T HN 0.359 nan 8.240 nan 0.000 0.474 277 F N 0.919 120.862 119.950 -0.011 0.000 2.192 277 F HA -0.186 4.341 4.527 -0.000 0.000 0.301 277 F C 2.248 178.036 175.800 -0.021 0.000 1.079 277 F CA 1.148 59.137 58.000 -0.018 0.000 1.303 277 F CB 0.020 39.007 39.000 -0.022 0.000 1.024 277 F HN 0.560 nan 8.300 nan 0.000 0.494 278 D N -0.098 120.395 120.400 0.155 0.000 2.123 278 D HA -0.121 4.519 4.640 -0.000 0.000 0.200 278 D C 2.112 178.436 176.300 0.040 0.000 0.976 278 D CA 1.070 55.116 54.000 0.076 0.000 0.831 278 D CB -0.313 40.516 40.800 0.049 0.000 0.974 278 D HN 0.388 nan 8.370 nan 0.000 0.469 279 E N 0.857 121.072 120.200 0.025 0.000 2.051 279 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 279 E C 2.136 178.739 176.600 0.005 0.000 0.991 279 E CA 0.937 57.340 56.400 0.007 0.000 0.799 279 E CB -0.046 29.653 29.700 -0.003 0.000 0.748 279 E HN 0.146 nan 8.360 nan 0.000 0.449 280 A N 1.611 124.428 122.820 -0.004 0.000 1.940 280 A HA -0.164 4.155 4.320 -0.000 0.000 0.219 280 A C 2.397 179.996 177.584 0.026 0.000 1.176 280 A CA 1.768 53.803 52.037 -0.004 0.000 0.631 280 A CB -0.654 18.322 19.000 -0.039 0.000 0.814 280 A HN 0.297 nan 8.150 nan 0.000 0.446 281 A N -0.846 121.996 122.820 0.037 0.000 2.070 281 A HA -0.085 4.235 4.320 -0.000 0.000 0.220 281 A C 1.728 179.318 177.584 0.010 0.000 1.159 281 A CA 1.518 53.563 52.037 0.012 0.000 0.656 281 A CB -0.213 18.795 19.000 0.014 0.000 0.800 281 A HN 0.490 nan 8.150 nan 0.000 0.453 282 E N -1.776 118.438 120.200 0.023 0.000 2.481 282 E HA 0.172 4.522 4.350 -0.000 0.000 0.198 282 E C 1.092 177.724 176.600 0.054 0.000 1.027 282 E CA 0.203 56.619 56.400 0.026 0.000 0.900 282 E CB 0.658 30.357 29.700 -0.002 0.000 0.993 282 E HN 0.546 nan 8.360 nan 0.000 0.482 283 L N -0.581 120.681 121.223 0.065 0.000 2.658 283 L HA 0.360 4.700 4.340 -0.000 0.000 0.201 283 L C 1.956 178.880 176.870 0.090 0.000 1.050 283 L CA 1.089 55.968 54.840 0.066 0.000 0.893 283 L CB -0.568 41.504 42.059 0.022 0.000 1.503 283 L HN -0.093 nan 8.230 nan 0.000 0.485 284 A N -0.663 122.197 122.820 0.067 0.000 1.940 284 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 284 A C 2.186 179.824 177.584 0.089 0.000 1.176 284 A CA 2.187 54.256 52.037 0.053 0.000 0.631 284 A CB -1.058 17.960 19.000 0.031 0.000 0.814 284 A HN 0.629 nan 8.150 nan 0.000 0.446 285 Y N -1.418 118.858 120.300 -0.040 0.000 2.220 285 Y HA -0.025 4.525 4.550 -0.000 0.000 0.291 285 Y C 1.724 177.480 175.900 -0.240 0.000 1.129 285 Y CA 1.359 59.368 58.100 -0.151 0.000 1.161 285 Y CB -0.232 38.096 38.460 -0.220 0.000 0.997 285 Y HN 0.296 nan 8.280 nan 0.000 0.522 286 F N -1.482 118.451 119.950 -0.027 0.000 2.582 286 F HA 0.199 4.726 4.527 -0.000 0.000 0.290 286 F C 2.358 178.114 175.800 -0.074 0.000 1.115 286 F CA 0.753 58.697 58.000 -0.093 0.000 1.445 286 F CB -0.482 38.501 39.000 -0.029 0.000 1.126 286 F HN 0.007 nan 8.300 nan 0.000 0.574 287 G N -0.067 108.804 108.800 0.118 0.000 2.439 287 G HA2 0.221 4.181 3.960 -0.000 0.000 0.212 287 G HA3 0.221 4.181 3.960 -0.000 0.000 0.212 287 G C 0.976 175.875 174.900 -0.001 0.000 1.199 287 G CA 0.648 45.778 45.100 0.050 0.000 0.807 287 G HN 0.353 nan 8.290 nan 0.000 0.537 288 A N -0.672 122.136 122.820 -0.019 0.000 2.301 288 A HA 0.683 5.003 4.320 -0.000 0.000 0.287 288 A C 0.247 177.775 177.584 -0.092 0.000 1.274 288 A CA -0.268 51.741 52.037 -0.047 0.000 0.865 288 A CB 0.501 19.475 19.000 -0.043 0.000 1.324 288 A HN 0.158 nan 8.150 nan 0.000 0.508 289 Q N -0.783 118.954 119.800 -0.104 0.000 2.354 289 Q HA 0.417 4.757 4.340 -0.000 0.000 0.372 289 Q C -0.680 175.254 176.000 -0.110 0.000 0.923 289 Q CA -0.000 55.695 55.803 -0.180 0.000 1.123 289 Q CB 0.779 29.416 28.738 -0.169 0.000 1.298 289 Q HN 0.701 nan 8.270 nan 0.000 0.419 290 V N -3.892 116.004 119.914 -0.030 0.000 3.181 290 V HA 0.574 4.694 4.120 -0.000 0.000 0.308 290 V C -0.244 175.925 176.094 0.126 0.000 1.214 290 V CA -1.625 60.699 62.300 0.040 0.000 1.053 290 V CB 1.679 33.496 31.823 -0.009 0.000 1.069 290 V HN 0.237 nan 8.190 nan 0.000 0.441 291 L N 2.022 123.310 121.223 0.109 0.000 3.755 291 L HA -0.145 4.195 4.340 -0.000 0.000 0.587 291 L C 0.547 177.477 176.870 0.100 0.000 1.235 291 L CA 0.601 55.496 54.840 0.092 0.000 0.876 291 L CB -1.520 40.569 42.059 0.049 0.000 1.431 291 L HN 1.157 nan 8.230 nan 0.000 0.840 292 H N 2.780 121.813 119.070 -0.062 0.000 2.972 292 H HA 0.010 4.566 4.556 -0.000 0.000 0.343 292 H C -1.464 173.749 175.328 -0.192 0.000 1.054 292 H CA -0.400 55.406 56.048 -0.403 0.000 1.412 292 H CB 1.220 30.569 29.762 -0.689 0.000 1.385 292 H HN 0.081 nan 8.280 nan 0.000 0.600 293 P HA -0.196 nan 4.420 nan 0.000 0.217 293 P C 1.444 178.730 177.300 -0.023 0.000 1.151 293 P CA 1.699 64.662 63.100 -0.228 0.000 0.849 293 P CB 0.031 31.536 31.700 -0.325 0.000 0.787 294 Q N -0.238 119.665 119.800 0.172 0.000 2.291 294 Q HA -0.113 4.227 4.340 -0.000 0.000 0.205 294 Q C 1.835 177.899 176.000 0.107 0.000 0.970 294 Q CA 1.542 57.445 55.803 0.167 0.000 0.876 294 Q CB -0.239 28.617 28.738 0.197 0.000 0.935 294 Q HN 0.298 nan 8.270 nan 0.000 0.455 295 S N -1.100 114.671 115.700 0.119 0.000 2.496 295 S HA 0.015 4.485 4.470 -0.000 0.000 0.224 295 S C 1.656 176.305 174.600 0.081 0.000 0.996 295 S CA 0.223 58.475 58.200 0.087 0.000 0.927 295 S CB 0.035 63.283 63.200 0.081 0.000 0.774 295 S HN 0.335 nan 8.310 nan 0.000 0.524 296 M N 0.459 120.105 119.600 0.077 0.000 2.509 296 M HA 0.258 4.738 4.480 -0.000 0.000 0.250 296 M C 2.220 178.499 176.300 -0.035 0.000 1.132 296 M CA 0.127 55.482 55.300 0.093 0.000 1.080 296 M CB 0.031 32.754 32.600 0.204 0.000 1.408 296 M HN 0.240 nan 8.290 nan 0.000 0.484 297 R N 0.709 121.189 120.500 -0.033 0.000 2.096 297 R HA -0.155 4.185 4.340 -0.000 0.000 0.240 297 R C -0.794 175.449 176.300 -0.096 0.000 1.139 297 R CA 1.695 57.747 56.100 -0.080 0.000 0.952 297 R CB -1.634 28.647 30.300 -0.033 0.000 0.854 297 R HN 0.233 nan 8.270 nan 0.000 0.436 298 P HA -0.114 nan 4.420 nan 0.000 0.219 298 P C 0.599 177.842 177.300 -0.094 0.000 1.146 298 P CA 1.609 64.698 63.100 -0.019 0.000 0.808 298 P CB 0.072 31.839 31.700 0.111 0.000 0.779 299 A N -0.513 122.253 122.820 -0.091 0.000 1.970 299 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 299 A C 2.249 179.632 177.584 -0.335 0.000 1.170 299 A CA 0.860 52.833 52.037 -0.107 0.000 0.645 299 A CB -0.754 18.286 19.000 0.067 0.000 0.816 299 A HN 0.020 nan 8.150 nan 0.000 0.447 300 R N 0.306 120.474 120.500 -0.554 0.000 2.070 300 R HA -0.159 4.181 4.340 -0.000 0.000 0.232 300 R C 2.264 178.342 176.300 -0.370 0.000 1.138 300 R CA 1.724 57.397 56.100 -0.713 0.000 0.936 300 R CB -0.416 29.514 30.300 -0.617 0.000 0.839 300 R HN 0.862 nan 8.270 nan 0.000 0.429 301 E N -0.233 119.808 120.200 -0.264 0.000 2.152 301 E HA -0.080 4.269 4.350 -0.000 0.000 0.192 301 E C 1.816 178.296 176.600 -0.200 0.000 0.983 301 E CA 1.245 57.523 56.400 -0.203 0.000 0.818 301 E CB -0.182 29.412 29.700 -0.177 0.000 0.758 301 E HN 0.365 nan 8.360 nan 0.000 0.467 302 G N 0.886 109.560 108.800 -0.209 0.000 2.744 302 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.211 302 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.211 302 G C 0.055 174.876 174.900 -0.133 0.000 1.143 302 G CA 0.097 45.086 45.100 -0.186 0.000 0.788 302 G HN 0.295 nan 8.290 nan 0.000 0.534 303 E N -0.749 119.369 120.200 -0.137 0.000 2.230 303 E HA -0.181 4.169 4.350 -0.000 0.000 0.206 303 E C -0.693 175.897 176.600 -0.016 0.000 1.309 303 E CA 0.270 56.623 56.400 -0.080 0.000 0.697 303 E CB -1.395 28.266 29.700 -0.065 0.000 1.146 303 E HN 0.495 nan 8.360 nan 0.000 0.363 304 I N 0.963 121.544 120.570 0.018 0.000 2.447 304 I HA 0.307 4.477 4.170 -0.000 0.000 0.287 304 I C -2.025 174.201 176.117 0.181 0.000 1.023 304 I CA -2.339 58.997 61.300 0.061 0.000 1.083 304 I CB 1.554 39.568 38.000 0.023 0.000 1.245 304 I HN -0.144 nan 8.210 nan 0.000 0.434 305 P HA 0.067 nan 4.420 nan 0.000 0.268 305 P C -0.547 176.780 177.300 0.045 0.000 1.205 305 P CA -0.037 63.122 63.100 0.098 0.000 0.771 305 P CB 1.152 32.859 31.700 0.013 0.000 0.858 306 V N 4.602 124.494 119.914 -0.037 0.000 2.435 306 V HA 0.402 4.522 4.120 -0.000 0.000 0.290 306 V C 0.753 176.754 176.094 -0.156 0.000 1.030 306 V CA -0.518 61.741 62.300 -0.069 0.000 0.881 306 V CB 1.295 33.106 31.823 -0.021 0.000 0.983 306 V HN 0.525 nan 8.190 nan 0.000 0.445 307 R N 3.232 123.628 120.500 -0.172 0.000 2.494 307 R HA 0.714 5.054 4.340 -0.000 0.000 0.305 307 R C -1.675 174.442 176.300 -0.305 0.000 0.959 307 R CA -0.482 55.478 56.100 -0.233 0.000 0.864 307 R CB 1.961 32.114 30.300 -0.245 0.000 1.159 307 R HN 0.538 nan 8.270 nan 0.000 0.446 308 V N 5.216 124.952 119.914 -0.296 0.000 2.347 308 V HA 0.377 4.497 4.120 -0.000 0.000 0.280 308 V C -0.196 175.667 176.094 -0.386 0.000 1.021 308 V CA -0.580 61.529 62.300 -0.320 0.000 0.847 308 V CB 1.285 32.981 31.823 -0.211 0.000 0.990 308 V HN 0.732 nan 8.190 nan 0.000 0.444 309 K N 2.940 122.984 120.400 -0.593 0.000 2.281 309 K HA 0.491 4.811 4.320 -0.000 0.000 0.242 309 K C -0.667 175.734 176.600 -0.332 0.000 0.971 309 K CA -1.042 54.843 56.287 -0.671 0.000 0.834 309 K CB 1.861 33.483 32.500 -1.463 0.000 1.181 309 K HN 0.508 nan 8.250 nan 0.000 0.435 310 N N 0.491 119.140 118.700 -0.085 0.000 2.437 310 N HA 0.035 4.775 4.740 -0.000 0.000 0.259 310 N C 0.449 176.212 175.510 0.421 0.000 0.983 310 N CA -0.145 53.005 53.050 0.167 0.000 0.937 310 N CB 1.167 39.732 38.487 0.129 0.000 1.122 310 N HN 0.562 nan 8.380 nan 0.000 0.499 311 S N 2.785 118.758 115.700 0.454 0.000 2.442 311 S HA -0.128 4.342 4.470 -0.000 0.000 0.236 311 S C 1.196 175.795 174.600 -0.001 0.000 1.007 311 S CA 0.843 59.204 58.200 0.268 0.000 0.965 311 S CB -0.496 62.717 63.200 0.020 0.000 0.773 311 S HN 0.677 nan 8.310 nan 0.000 0.504 312 Y N 1.470 121.880 120.300 0.184 0.000 2.490 312 Y HA 0.359 4.909 4.550 -0.000 0.000 0.281 312 Y C 1.167 177.132 175.900 0.109 0.000 1.174 312 Y CA -0.150 58.017 58.100 0.112 0.000 1.295 312 Y CB 0.161 38.664 38.460 0.073 0.000 1.062 312 Y HN 0.278 nan 8.280 nan 0.000 0.522 313 N N -0.319 118.537 118.700 0.260 0.000 2.639 313 N HA 0.126 4.866 4.740 -0.000 0.000 0.265 313 N C -2.466 173.177 175.510 0.221 0.000 1.689 313 N CA -1.470 51.697 53.050 0.195 0.000 0.813 313 N CB 0.592 39.165 38.487 0.144 0.000 1.353 313 N HN -0.123 nan 8.380 nan 0.000 0.510 314 P HA -0.020 nan 4.420 nan 0.000 0.225 314 P C 0.705 178.255 177.300 0.417 0.000 1.156 314 P CA 0.734 64.120 63.100 0.476 0.000 0.787 314 P CB 0.485 32.466 31.700 0.469 0.000 0.802 315 K N -0.307 120.254 120.400 0.267 0.000 2.459 315 K HA 0.208 4.528 4.320 -0.000 0.000 0.193 315 K C 1.148 177.830 176.600 0.136 0.000 1.030 315 K CA 0.019 56.442 56.287 0.227 0.000 1.026 315 K CB 0.010 32.602 32.500 0.154 0.000 0.809 315 K HN 0.094 nan 8.250 nan 0.000 0.504 316 A N 2.548 125.428 122.820 0.100 0.000 2.322 316 A HA 0.268 4.588 4.320 -0.000 0.000 0.269 316 A C -1.293 176.279 177.584 -0.020 0.000 1.094 316 A CA -1.140 50.916 52.037 0.033 0.000 0.807 316 A CB 0.276 19.288 19.000 0.021 0.000 1.047 316 A HN -0.066 nan 8.150 nan 0.000 0.487 317 P HA -0.042 nan 4.420 nan 0.000 0.216 317 P C 1.200 178.403 177.300 -0.162 0.000 1.153 317 P CA 1.802 64.840 63.100 -0.104 0.000 0.848 317 P CB -0.097 31.533 31.700 -0.115 0.000 0.787 318 G N -0.705 107.998 108.800 -0.162 0.000 2.536 318 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.277 318 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.277 318 G C -0.456 174.310 174.900 -0.223 0.000 1.155 318 G CA 0.455 45.443 45.100 -0.187 0.000 0.960 318 G HN 0.466 nan 8.290 nan 0.000 0.544 319 T N 1.008 115.425 114.554 -0.228 0.000 2.949 319 T HA 0.584 4.934 4.350 -0.000 0.000 0.300 319 T C -0.296 174.279 174.700 -0.208 0.000 0.988 319 T CA -0.194 61.770 62.100 -0.227 0.000 0.993 319 T CB 1.239 69.995 68.868 -0.186 0.000 0.984 319 T HN 0.675 nan 8.240 nan 0.000 0.442 320 I N 3.959 124.421 120.570 -0.180 0.000 2.315 320 I HA 0.418 4.588 4.170 -0.000 0.000 0.291 320 I C -0.011 176.021 176.117 -0.143 0.000 1.006 320 I CA -0.451 60.773 61.300 -0.127 0.000 1.265 320 I CB 0.758 38.742 38.000 -0.027 0.000 1.387 320 I HN 0.521 nan 8.210 nan 0.000 0.475 321 I N 6.543 126.958 120.570 -0.259 0.000 2.304 321 I HA 0.385 4.555 4.170 -0.000 0.000 0.291 321 I C 0.384 176.126 176.117 -0.625 0.000 1.018 321 I CA -0.111 60.912 61.300 -0.462 0.000 1.260 321 I CB 0.764 38.395 38.000 -0.614 0.000 1.390 321 I HN 0.687 nan 8.210 nan 0.000 0.475 322 T N 0.975 115.260 114.554 -0.449 0.000 2.907 322 T HA 0.386 4.736 4.350 -0.000 0.000 0.290 322 T C 0.656 175.367 174.700 0.018 0.000 1.066 322 T CA -0.936 61.053 62.100 -0.184 0.000 1.012 322 T CB 2.248 71.093 68.868 -0.039 0.000 1.184 322 T HN 0.445 nan 8.240 nan 0.000 0.522 323 K N 0.994 121.559 120.400 0.274 0.000 2.020 323 K HA -0.027 4.293 4.320 -0.000 0.000 0.212 323 K C 0.871 177.544 176.600 0.122 0.000 1.050 323 K CA 2.005 58.456 56.287 0.273 0.000 0.929 323 K CB -0.588 32.003 32.500 0.151 0.000 0.714 323 K HN 0.952 nan 8.250 nan 0.000 0.443 324 T N -1.989 112.597 114.554 0.054 0.000 2.883 324 T HA 0.655 5.005 4.350 -0.000 0.000 0.296 324 T C -1.004 173.683 174.700 -0.021 0.000 1.117 324 T CA -1.189 60.919 62.100 0.013 0.000 1.006 324 T CB 2.132 71.001 68.868 0.003 0.000 1.191 324 T HN 0.398 nan 8.240 nan 0.000 0.508 325 R N -0.287 120.191 120.500 -0.036 0.000 2.734 325 R HA 0.588 4.928 4.340 -0.000 0.000 0.271 325 R C -1.872 174.381 176.300 -0.078 0.000 1.021 325 R CA -0.869 55.182 56.100 -0.080 0.000 0.893 325 R CB 0.927 31.189 30.300 -0.063 0.000 1.244 325 R HN 0.544 nan 8.270 nan 0.000 0.464 326 D N 1.577 121.901 120.400 -0.126 0.000 2.349 326 D HA 0.033 4.673 4.640 -0.000 0.000 0.266 326 D C 0.206 176.482 176.300 -0.040 0.000 1.293 326 D CA -0.024 53.923 54.000 -0.089 0.000 0.926 326 D CB 0.952 41.677 40.800 -0.125 0.000 1.090 326 D HN 0.566 nan 8.370 nan 0.000 0.502 327 M N 2.211 121.805 119.600 -0.011 0.000 2.502 327 M HA 0.081 4.561 4.480 -0.000 0.000 0.243 327 M C 0.261 176.591 176.300 0.051 0.000 1.130 327 M CA 0.132 55.445 55.300 0.022 0.000 1.055 327 M CB 0.051 32.660 32.600 0.015 0.000 1.457 327 M HN 0.191 nan 8.290 nan 0.000 0.488 328 T N 1.976 116.551 114.554 0.035 0.000 2.946 328 T HA -0.004 4.346 4.350 -0.000 0.000 0.312 328 T C 0.844 175.575 174.700 0.051 0.000 1.066 328 T CA 0.054 62.182 62.100 0.046 0.000 1.138 328 T CB 0.346 69.227 68.868 0.021 0.000 1.014 328 T HN 0.325 nan 8.240 nan 0.000 0.544 329 K N -0.963 119.468 120.400 0.053 0.000 3.495 329 K HA -0.166 4.154 4.320 -0.000 0.000 0.315 329 K C 0.445 177.083 176.600 0.063 0.000 1.301 329 K CA 1.127 57.439 56.287 0.042 0.000 0.985 329 K CB -1.788 30.736 32.500 0.040 0.000 1.244 329 K HN 0.756 nan 8.250 nan 0.000 0.433 330 S N 0.522 116.277 115.700 0.092 0.000 2.452 330 S HA 0.566 5.036 4.470 -0.000 0.000 0.284 330 S C 1.146 175.835 174.600 0.148 0.000 1.171 330 S CA -0.796 57.471 58.200 0.111 0.000 1.064 330 S CB 0.788 64.049 63.200 0.102 0.000 0.967 330 S HN 0.237 nan 8.310 nan 0.000 0.484 331 I N 3.032 123.667 120.570 0.109 0.000 4.083 331 I HA 0.349 4.519 4.170 -0.000 0.000 0.240 331 I C -0.280 175.873 176.117 0.060 0.000 1.088 331 I CA -0.266 61.100 61.300 0.110 0.000 1.651 331 I CB -0.037 37.985 38.000 0.037 0.000 1.573 331 I HN 0.427 nan 8.210 nan 0.000 0.451 332 L N 0.178 121.384 121.223 -0.028 0.000 2.325 332 L HA 0.382 4.722 4.340 -0.000 0.000 0.278 332 L C 0.578 177.537 176.870 0.148 0.000 1.023 332 L CA 0.431 55.205 54.840 -0.111 0.000 0.811 332 L CB 1.602 43.337 42.059 -0.540 0.000 1.249 332 L HN 0.129 nan 8.230 nan 0.000 0.431 333 T N 0.461 115.113 114.554 0.164 0.000 2.988 333 T HA 0.230 4.580 4.350 -0.000 0.000 0.240 333 T C 0.235 175.053 174.700 0.197 0.000 1.014 333 T CA 0.579 62.792 62.100 0.187 0.000 1.155 333 T CB 0.070 68.984 68.868 0.076 0.000 0.872 333 T HN 0.522 nan 8.240 nan 0.000 0.440 334 S N -0.766 115.031 115.700 0.161 0.000 2.587 334 S HA 0.628 5.098 4.470 -0.000 0.000 0.269 334 S C -2.170 172.484 174.600 0.090 0.000 1.154 334 S CA -0.861 57.383 58.200 0.073 0.000 0.824 334 S CB 0.870 64.064 63.200 -0.009 0.000 1.118 334 S HN 0.254 nan 8.310 nan 0.000 0.462 335 I N 2.552 123.181 120.570 0.098 0.000 2.406 335 I HA 0.557 4.727 4.170 -0.000 0.000 0.290 335 I C -0.842 175.299 176.117 0.040 0.000 0.999 335 I CA -0.801 60.544 61.300 0.075 0.000 1.124 335 I CB 1.955 40.054 38.000 0.165 0.000 1.289 335 I HN 0.352 nan 8.210 nan 0.000 0.441 336 V N 6.671 126.585 119.914 -0.001 0.000 2.555 336 V HA 0.471 4.591 4.120 -0.000 0.000 0.302 336 V C -0.538 175.551 176.094 -0.009 0.000 1.038 336 V CA -0.735 61.567 62.300 0.003 0.000 0.887 336 V CB 2.177 33.996 31.823 -0.005 0.000 0.991 336 V HN 0.419 nan 8.190 nan 0.000 0.434 337 L N 4.661 125.894 121.223 0.017 0.000 2.341 337 L HA 0.609 4.949 4.340 -0.000 0.000 0.278 337 L C -0.379 176.506 176.870 0.025 0.000 1.005 337 L CA -0.147 54.702 54.840 0.015 0.000 0.818 337 L CB 1.589 43.666 42.059 0.031 0.000 1.259 337 L HN 0.571 nan 8.230 nan 0.000 0.418 338 K N 5.293 125.692 120.400 -0.002 0.000 2.425 338 K HA 0.490 4.810 4.320 -0.000 0.000 0.259 338 K C -0.676 175.946 176.600 0.037 0.000 0.978 338 K CA -0.794 55.505 56.287 0.019 0.000 0.883 338 K CB 1.231 33.689 32.500 -0.069 0.000 1.110 338 K HN 0.461 nan 8.250 nan 0.000 0.436 339 R N 1.526 122.062 120.500 0.059 0.000 2.582 339 R HA 0.071 4.411 4.340 -0.000 0.000 0.271 339 R C -0.040 176.297 176.300 0.061 0.000 1.078 339 R CA -0.381 55.751 56.100 0.054 0.000 1.127 339 R CB 0.038 30.370 30.300 0.053 0.000 1.038 339 R HN 0.734 nan 8.270 nan 0.000 0.500 340 N N -0.532 118.200 118.700 0.054 0.000 2.652 340 N HA -0.197 4.543 4.740 -0.000 0.000 0.281 340 N C -0.430 175.120 175.510 0.068 0.000 1.084 340 N CA 0.679 53.764 53.050 0.058 0.000 0.775 340 N CB -0.442 38.080 38.487 0.058 0.000 0.923 340 N HN 0.414 nan 8.380 nan 0.000 0.558 341 V N -1.544 118.407 119.914 0.062 0.000 2.732 341 V HA 0.741 4.861 4.120 -0.000 0.000 0.310 341 V C 0.663 176.796 176.094 0.065 0.000 1.053 341 V CA -0.541 61.800 62.300 0.068 0.000 0.957 341 V CB 2.219 34.075 31.823 0.056 0.000 1.018 341 V HN 0.123 nan 8.190 nan 0.000 0.452 342 T N 5.855 120.453 114.554 0.073 0.000 2.771 342 T HA 0.551 4.901 4.350 -0.000 0.000 0.281 342 T C -0.382 174.364 174.700 0.076 0.000 0.982 342 T CA -0.165 61.979 62.100 0.073 0.000 0.978 342 T CB 0.995 69.910 68.868 0.079 0.000 0.930 342 T HN 0.918 nan 8.240 nan 0.000 0.447 343 M N 4.438 124.081 119.600 0.071 0.000 2.364 343 M HA 0.652 5.132 4.480 -0.000 0.000 0.334 343 M C -1.930 174.419 176.300 0.083 0.000 1.107 343 M CA -0.834 54.509 55.300 0.072 0.000 0.988 343 M CB 0.818 33.456 32.600 0.063 0.000 1.673 343 M HN 0.437 nan 8.290 nan 0.000 0.441 344 L N 3.496 124.776 121.223 0.096 0.000 2.362 344 L HA 0.535 4.875 4.340 -0.000 0.000 0.271 344 L C -1.120 175.807 176.870 0.094 0.000 1.002 344 L CA -0.335 54.571 54.840 0.111 0.000 0.818 344 L CB 2.077 44.244 42.059 0.180 0.000 1.298 344 L HN 0.649 nan 8.230 nan 0.000 0.420 345 D N 2.620 123.068 120.400 0.080 0.000 2.391 345 D HA 0.586 5.226 4.640 -0.000 0.000 0.245 345 D C -1.136 175.205 176.300 0.068 0.000 1.069 345 D CA -0.128 53.913 54.000 0.067 0.000 0.831 345 D CB 1.240 42.071 40.800 0.052 0.000 1.204 345 D HN 0.318 nan 8.370 nan 0.000 0.503 346 I N 3.130 123.743 120.570 0.071 0.000 2.466 346 I HA 0.527 4.697 4.170 -0.000 0.000 0.279 346 I C -0.464 175.686 176.117 0.056 0.000 1.033 346 I CA -0.691 60.660 61.300 0.085 0.000 1.123 346 I CB 1.703 39.777 38.000 0.124 0.000 1.237 346 I HN 0.421 nan 8.210 nan 0.000 0.460 347 A N 4.350 127.191 122.820 0.036 0.000 2.318 347 A HA 0.857 5.177 4.320 -0.000 0.000 0.324 347 A C -0.386 177.180 177.584 -0.030 0.000 1.170 347 A CA -0.450 51.579 52.037 -0.013 0.000 0.810 347 A CB 1.497 20.493 19.000 -0.006 0.000 1.198 347 A HN 0.524 nan 8.150 nan 0.000 0.484 348 S N 0.623 116.246 115.700 -0.129 0.000 2.543 348 S HA 0.451 4.921 4.470 -0.000 0.000 0.271 348 S C 0.914 175.406 174.600 -0.179 0.000 1.148 348 S CA 0.240 58.355 58.200 -0.142 0.000 0.914 348 S CB 1.215 64.306 63.200 -0.182 0.000 1.096 348 S HN 1.372 nan 8.310 nan 0.000 0.471 349 T N 2.030 116.526 114.554 -0.097 0.000 3.035 349 T HA 0.039 4.388 4.350 -0.000 0.000 0.268 349 T C 1.448 176.092 174.700 -0.093 0.000 1.109 349 T CA 0.548 62.599 62.100 -0.081 0.000 1.119 349 T CB -0.232 68.612 68.868 -0.040 0.000 0.900 349 T HN 0.620 nan 8.240 nan 0.000 0.503 350 R N 0.826 121.266 120.500 -0.101 0.000 2.193 350 R HA 0.186 4.526 4.340 -0.000 0.000 0.213 350 R C 2.610 178.844 176.300 -0.109 0.000 1.055 350 R CA 1.260 57.328 56.100 -0.054 0.000 0.995 350 R CB -0.430 29.900 30.300 0.050 0.000 0.893 350 R HN 0.654 nan 8.270 nan 0.000 0.459 351 M N -0.279 119.120 119.600 -0.334 0.000 2.394 351 M HA 0.018 4.498 4.480 -0.000 0.000 0.264 351 M C 0.937 177.149 176.300 -0.148 0.000 1.073 351 M CA 1.260 56.337 55.300 -0.372 0.000 1.111 351 M CB -0.068 32.031 32.600 -0.836 0.000 1.401 351 M HN -0.028 nan 8.290 nan 0.000 0.448 352 L N 3.084 124.235 121.223 -0.120 0.000 2.600 352 L HA 0.253 4.592 4.340 -0.000 0.000 0.278 352 L C 0.648 177.502 176.870 -0.027 0.000 1.139 352 L CA 0.819 55.622 54.840 -0.061 0.000 0.933 352 L CB -0.159 41.867 42.059 -0.055 0.000 1.266 352 L HN 0.809 nan 8.230 nan 0.000 0.471 353 G N 2.813 111.608 108.800 -0.008 0.000 2.141 353 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.231 353 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.231 353 G C 0.037 174.952 174.900 0.026 0.000 0.984 353 G CA 0.189 45.295 45.100 0.009 0.000 0.660 353 G HN 0.604 nan 8.290 nan 0.000 0.525 354 Q N 0.319 120.142 119.800 0.039 0.000 2.256 354 Q HA 0.609 4.949 4.340 -0.000 0.000 0.257 354 Q C 0.060 176.116 176.000 0.094 0.000 0.936 354 Q CA -0.744 55.103 55.803 0.075 0.000 0.903 354 Q CB 1.779 30.587 28.738 0.116 0.000 1.263 354 Q HN 0.176 nan 8.270 nan 0.000 0.440 355 V N 3.294 123.259 119.914 0.084 0.000 2.530 355 V HA 0.396 4.515 4.120 -0.000 0.000 0.282 355 V C 1.102 177.258 176.094 0.104 0.000 1.048 355 V CA 1.012 63.362 62.300 0.084 0.000 0.997 355 V CB 0.813 32.672 31.823 0.059 0.000 0.987 355 V HN 1.125 nan 8.190 nan 0.000 0.477 356 G N 3.864 112.735 108.800 0.119 0.000 2.159 356 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.227 356 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.227 356 G C 0.497 175.466 174.900 0.115 0.000 0.986 356 G CA 0.434 45.596 45.100 0.103 0.000 0.651 356 G HN 0.673 nan 8.290 nan 0.000 0.523 357 F N 0.358 120.338 119.950 0.050 0.000 2.163 357 F HA 0.198 4.725 4.527 -0.000 0.000 0.297 357 F C 2.423 178.260 175.800 0.061 0.000 1.094 357 F CA 1.468 59.493 58.000 0.042 0.000 1.290 357 F CB 0.011 39.030 39.000 0.032 0.000 1.017 357 F HN 0.162 nan 8.300 nan 0.000 0.483 358 L N 0.234 121.659 121.223 0.337 0.000 2.046 358 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 358 L C 2.707 179.762 176.870 0.308 0.000 1.077 358 L CA 1.893 56.935 54.840 0.337 0.000 0.747 358 L CB -2.062 40.203 42.059 0.345 0.000 0.896 358 L HN 0.216 nan 8.230 nan 0.000 0.432 359 A N -0.641 122.298 122.820 0.198 0.000 1.908 359 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 359 A C 2.427 180.071 177.584 0.100 0.000 1.181 359 A CA 2.056 54.185 52.037 0.153 0.000 0.627 359 A CB -0.392 18.666 19.000 0.096 0.000 0.818 359 A HN 0.306 nan 8.150 nan 0.000 0.445 360 K N -0.383 120.014 120.400 -0.005 0.000 2.031 360 K HA -0.011 4.309 4.320 -0.000 0.000 0.205 360 K C 1.746 178.285 176.600 -0.102 0.000 1.049 360 K CA 1.508 57.738 56.287 -0.095 0.000 0.939 360 K CB -0.604 31.752 32.500 -0.240 0.000 0.717 360 K HN 0.157 nan 8.250 nan 0.000 0.438 361 V N 0.509 120.332 119.914 -0.153 0.000 2.252 361 V HA -0.249 3.871 4.120 -0.000 0.000 0.249 361 V C 1.961 178.008 176.094 -0.079 0.000 1.056 361 V CA 2.093 64.274 62.300 -0.198 0.000 1.022 361 V CB -0.545 31.094 31.823 -0.306 0.000 0.641 361 V HN 0.256 nan 8.190 nan 0.000 0.445 362 F N -0.578 119.502 119.950 0.216 0.000 2.710 362 F HA -0.009 4.518 4.527 -0.000 0.000 0.298 362 F C 2.592 178.507 175.800 0.192 0.000 1.137 362 F CA 0.962 59.116 58.000 0.257 0.000 1.444 362 F CB -0.289 38.788 39.000 0.129 0.000 1.111 362 F HN 0.064 nan 8.300 nan 0.000 0.580 363 S N 0.763 116.602 115.700 0.232 0.000 2.368 363 S HA -0.150 4.320 4.470 -0.000 0.000 0.224 363 S C 2.128 176.781 174.600 0.087 0.000 1.029 363 S CA 1.184 59.464 58.200 0.134 0.000 0.988 363 S CB -0.353 62.886 63.200 0.065 0.000 0.838 363 S HN 0.316 nan 8.310 nan 0.000 0.462 364 I N 0.519 121.100 120.570 0.019 0.000 2.118 364 I HA -0.224 3.946 4.170 -0.000 0.000 0.241 364 I C 2.008 178.068 176.117 -0.094 0.000 1.070 364 I CA 1.723 62.966 61.300 -0.095 0.000 1.327 364 I CB -0.497 37.361 38.000 -0.236 0.000 1.034 364 I HN 0.303 nan 8.210 nan 0.000 0.405 365 F N 0.692 120.653 119.950 0.019 0.000 2.095 365 F HA -0.276 4.251 4.527 -0.000 0.000 0.298 365 F C 2.667 178.493 175.800 0.044 0.000 1.104 365 F CA 1.964 59.991 58.000 0.045 0.000 1.232 365 F CB -0.475 38.596 39.000 0.117 0.000 0.987 365 F HN 0.131 nan 8.300 nan 0.000 0.475 366 E N 0.276 120.625 120.200 0.248 0.000 2.077 366 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 366 E C 2.009 178.655 176.600 0.077 0.000 0.989 366 E CA 1.252 57.743 56.400 0.152 0.000 0.800 366 E CB 0.000 29.785 29.700 0.142 0.000 0.746 366 E HN 0.298 nan 8.360 nan 0.000 0.452 367 E N 0.055 120.282 120.200 0.044 0.000 2.268 367 E HA -0.122 4.228 4.350 -0.000 0.000 0.195 367 E C 1.540 178.115 176.600 -0.041 0.000 0.995 367 E CA 0.542 56.941 56.400 -0.001 0.000 0.836 367 E CB 0.106 29.798 29.700 -0.014 0.000 0.763 367 E HN 0.249 nan 8.360 nan 0.000 0.491 368 L N -0.537 120.656 121.223 -0.050 0.000 2.700 368 L HA 0.222 4.562 4.340 -0.000 0.000 0.234 368 L C 1.119 177.951 176.870 -0.064 0.000 1.156 368 L CA 0.501 55.279 54.840 -0.103 0.000 0.946 368 L CB 0.237 42.202 42.059 -0.157 0.000 1.216 368 L HN 0.142 nan 8.230 nan 0.000 0.493 369 G N 0.423 109.213 108.800 -0.017 0.000 2.225 369 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.267 369 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.267 369 G C 0.321 175.182 174.900 -0.065 0.000 1.024 369 G CA 0.338 45.421 45.100 -0.027 0.000 0.784 369 G HN 0.323 nan 8.290 nan 0.000 0.507 370 I N 0.663 121.250 120.570 0.029 0.000 2.377 370 I HA 0.440 4.610 4.170 -0.000 0.000 0.293 370 I C 0.532 176.718 176.117 0.116 0.000 0.987 370 I CA -0.615 60.706 61.300 0.036 0.000 1.185 370 I CB 1.957 40.074 38.000 0.196 0.000 1.341 370 I HN 0.139 nan 8.210 nan 0.000 0.455 371 S N 5.651 121.392 115.700 0.069 0.000 2.438 371 S HA 0.477 4.947 4.470 -0.000 0.000 0.293 371 S C -0.395 174.286 174.600 0.134 0.000 1.141 371 S CA -0.580 57.732 58.200 0.188 0.000 1.080 371 S CB 0.688 64.145 63.200 0.430 0.000 0.978 371 S HN 0.320 nan 8.310 nan 0.000 0.479 372 V N 5.029 124.964 119.914 0.036 0.000 2.686 372 V HA 0.298 4.418 4.120 -0.000 0.000 0.295 372 V C 0.892 177.004 176.094 0.030 0.000 1.057 372 V CA -0.359 61.916 62.300 -0.043 0.000 1.012 372 V CB 1.609 33.338 31.823 -0.157 0.000 1.006 372 V HN 0.976 nan 8.190 nan 0.000 0.477 373 D N 2.176 122.596 120.400 0.033 0.000 2.733 373 D HA 0.103 4.743 4.640 -0.000 0.000 0.262 373 D C 0.283 176.580 176.300 -0.005 0.000 1.497 373 D CA 0.496 54.516 54.000 0.034 0.000 1.101 373 D CB 0.376 41.200 40.800 0.040 0.000 1.014 373 D HN 0.282 nan 8.370 nan 0.000 0.319 374 V N 1.336 121.245 119.914 -0.008 0.000 2.607 374 V HA 0.491 4.611 4.120 -0.000 0.000 0.289 374 V C 0.007 176.113 176.094 0.021 0.000 1.053 374 V CA -0.542 61.753 62.300 -0.008 0.000 0.996 374 V CB 1.664 33.477 31.823 -0.015 0.000 0.995 374 V HN 0.121 nan 8.190 nan 0.000 0.476 375 V N 3.060 122.991 119.914 0.028 0.000 2.760 375 V HA 0.938 5.058 4.120 -0.000 0.000 0.309 375 V C 0.004 176.137 176.094 0.066 0.000 1.077 375 V CA -0.232 62.110 62.300 0.071 0.000 0.910 375 V CB 1.794 33.671 31.823 0.091 0.000 1.008 375 V HN 1.125 nan 8.190 nan 0.000 0.424 376 A N 2.807 125.677 122.820 0.083 0.000 2.564 376 A HA 1.050 5.370 4.320 -0.000 0.000 0.288 376 A C -0.413 177.218 177.584 0.078 0.000 1.164 376 A CA -0.195 51.885 52.037 0.072 0.000 0.712 376 A CB 2.353 21.394 19.000 0.068 0.000 1.303 376 A HN 1.049 nan 8.150 nan 0.000 0.418 377 T N -1.669 112.922 114.554 0.061 0.000 2.864 377 T HA 0.836 5.186 4.350 -0.000 0.000 0.299 377 T C -0.077 174.642 174.700 0.031 0.000 1.166 377 T CA 0.056 62.187 62.100 0.050 0.000 1.007 377 T CB 1.276 70.175 68.868 0.052 0.000 1.219 377 T HN 2.013 nan 8.240 nan 0.000 0.506 378 S N -0.443 115.266 115.700 0.015 0.000 2.811 378 S HA 0.499 4.969 4.470 -0.000 0.000 0.311 378 S C 0.630 175.222 174.600 -0.014 0.000 1.152 378 S CA -0.818 57.383 58.200 0.002 0.000 0.864 378 S CB 1.352 64.552 63.200 -0.000 0.000 1.226 378 S HN 0.651 nan 8.310 nan 0.000 0.541 379 E N 0.330 120.518 120.200 -0.020 0.000 2.160 379 E HA -0.064 4.286 4.350 -0.000 0.000 0.195 379 E C 1.491 178.057 176.600 -0.057 0.000 0.991 379 E CA 1.738 58.120 56.400 -0.031 0.000 0.810 379 E CB -0.400 29.284 29.700 -0.026 0.000 0.742 379 E HN 0.779 nan 8.360 nan 0.000 0.466 380 V N -2.100 117.776 119.914 -0.064 0.000 3.111 380 V HA 0.354 4.474 4.120 -0.000 0.000 0.343 380 V C -0.028 176.000 176.094 -0.111 0.000 1.417 380 V CA -0.055 62.183 62.300 -0.103 0.000 1.142 380 V CB 0.085 31.859 31.823 -0.082 0.000 1.114 380 V HN 0.089 nan 8.190 nan 0.000 0.520 381 S N 0.832 116.486 115.700 -0.077 0.000 2.550 381 S HA 0.809 5.279 4.470 -0.000 0.000 0.270 381 S C -1.241 173.353 174.600 -0.011 0.000 1.145 381 S CA -0.615 57.557 58.200 -0.047 0.000 0.852 381 S CB 2.870 66.061 63.200 -0.014 0.000 1.119 381 S HN 0.883 nan 8.310 nan 0.000 0.465 382 I N 1.597 122.181 120.570 0.022 0.000 2.466 382 I HA 0.672 4.841 4.170 -0.000 0.000 0.289 382 I C -1.327 174.834 176.117 0.074 0.000 1.026 382 I CA -0.241 61.099 61.300 0.067 0.000 1.078 382 I CB 1.751 39.816 38.000 0.109 0.000 1.249 382 I HN 0.801 nan 8.210 nan 0.000 0.429 383 S N 7.877 123.625 115.700 0.080 0.000 2.532 383 S HA 0.883 5.353 4.470 -0.000 0.000 0.301 383 S C -0.568 174.086 174.600 0.089 0.000 1.083 383 S CA -0.650 57.597 58.200 0.078 0.000 1.025 383 S CB 2.071 65.311 63.200 0.067 0.000 1.056 383 S HN 0.641 nan 8.310 nan 0.000 0.494 384 L N -0.910 120.360 121.223 0.078 0.000 2.568 384 L HA 0.920 5.260 4.340 -0.000 0.000 0.257 384 L C -0.676 176.223 176.870 0.050 0.000 1.024 384 L CA -0.511 54.368 54.840 0.065 0.000 0.854 384 L CB 1.643 43.731 42.059 0.049 0.000 1.460 384 L HN 0.486 nan 8.230 nan 0.000 0.409 385 T N 1.061 115.635 114.554 0.033 0.000 2.893 385 T HA 0.742 5.092 4.350 -0.000 0.000 0.293 385 T C -0.815 173.906 174.700 0.035 0.000 1.027 385 T CA -0.445 61.679 62.100 0.040 0.000 0.988 385 T CB 1.053 69.942 68.868 0.035 0.000 1.043 385 T HN 0.652 nan 8.240 nan 0.000 0.461 386 L N 2.922 124.183 121.223 0.063 0.000 2.350 386 L HA 0.414 4.754 4.340 -0.000 0.000 0.275 386 L C 0.421 177.371 176.870 0.132 0.000 1.099 386 L CA -1.067 53.823 54.840 0.084 0.000 0.808 386 L CB 0.563 42.684 42.059 0.104 0.000 1.149 386 L HN 0.572 nan 8.230 nan 0.000 0.442 387 D N 2.884 123.404 120.400 0.200 0.000 2.703 387 D HA -0.019 4.621 4.640 -0.000 0.000 0.225 387 D C -2.139 174.351 176.300 0.316 0.000 1.119 387 D CA -0.213 53.981 54.000 0.323 0.000 0.845 387 D CB 0.270 41.430 40.800 0.600 0.000 1.182 387 D HN 0.217 nan 8.370 nan 0.000 0.493 388 P HA -0.014 nan 4.420 nan 0.000 0.266 388 P C 0.739 178.232 177.300 0.322 0.000 1.195 388 P CA -0.110 63.151 63.100 0.268 0.000 0.768 388 P CB 0.594 32.473 31.700 0.299 0.000 0.838 389 S N 3.516 119.365 115.700 0.250 0.000 2.399 389 S HA -0.223 4.246 4.470 -0.000 0.000 0.231 389 S C 1.506 176.256 174.600 0.249 0.000 1.022 389 S CA 1.138 59.497 58.200 0.266 0.000 0.983 389 S CB -0.855 62.448 63.200 0.171 0.000 0.803 389 S HN 0.612 nan 8.310 nan 0.000 0.480 390 K N 0.664 121.164 120.400 0.166 0.000 2.360 390 K HA 0.022 4.342 4.320 -0.000 0.000 0.201 390 K C 1.810 178.426 176.600 0.026 0.000 1.046 390 K CA 0.978 57.315 56.287 0.082 0.000 0.945 390 K CB -0.433 32.087 32.500 0.033 0.000 0.750 390 K HN 0.392 nan 8.250 nan 0.000 0.464 391 L N 0.036 121.294 121.223 0.058 0.000 2.552 391 L HA 0.153 4.493 4.340 -0.000 0.000 0.227 391 L C 0.055 176.704 176.870 -0.367 0.000 1.146 391 L CA 0.806 55.566 54.840 -0.134 0.000 0.858 391 L CB 0.051 42.074 42.059 -0.059 0.000 0.969 391 L HN 0.243 nan 8.230 nan 0.000 0.451 392 W N -3.001 118.350 121.300 0.085 0.000 3.518 392 W HA 0.316 4.976 4.660 -0.000 0.000 0.331 392 W C 1.668 178.225 176.519 0.064 0.000 1.205 392 W CA 0.112 57.506 57.345 0.081 0.000 0.956 392 W CB 0.501 30.013 29.460 0.085 0.000 1.645 392 W HN -0.231 nan 8.180 nan 0.000 0.615 393 S N -0.389 115.542 115.700 0.385 0.000 2.486 393 S HA 0.253 4.723 4.470 -0.000 0.000 0.220 393 S C 0.478 175.178 174.600 0.167 0.000 1.011 393 S CA 0.075 58.406 58.200 0.219 0.000 0.921 393 S CB 0.338 63.657 63.200 0.198 0.000 0.785 393 S HN 0.429 nan 8.310 nan 0.000 0.517 394 R N 0.162 120.770 120.500 0.180 0.000 2.734 394 R HA 0.392 4.732 4.340 -0.000 0.000 0.271 394 R C -1.813 174.553 176.300 0.111 0.000 1.021 394 R CA -0.627 55.542 56.100 0.115 0.000 0.893 394 R CB 1.078 31.426 30.300 0.080 0.000 1.244 394 R HN 0.181 nan 8.270 nan 0.000 0.464 395 E N 1.743 121.991 120.200 0.080 0.000 2.343 395 E HA 0.203 4.553 4.350 -0.000 0.000 0.269 395 E C -0.429 176.191 176.600 0.034 0.000 1.047 395 E CA -0.550 55.890 56.400 0.066 0.000 0.874 395 E CB 1.052 30.789 29.700 0.061 0.000 1.033 395 E HN 0.330 nan 8.360 nan 0.000 0.409 396 L N 3.821 125.055 121.223 0.018 0.000 2.499 396 L HA 0.108 4.448 4.340 -0.000 0.000 0.273 396 L C 0.486 177.365 176.870 0.015 0.000 1.195 396 L CA -0.011 54.828 54.840 -0.001 0.000 0.882 396 L CB -0.339 41.717 42.059 -0.005 0.000 1.133 396 L HN 0.412 nan 8.230 nan 0.000 0.483 397 I N -0.034 120.542 120.570 0.010 0.000 2.612 397 I HA 0.169 4.339 4.170 -0.000 0.000 0.295 397 I C 1.132 177.261 176.117 0.019 0.000 1.011 397 I CA -0.694 60.616 61.300 0.016 0.000 1.326 397 I CB 0.690 38.699 38.000 0.014 0.000 1.427 397 I HN 0.534 nan 8.210 nan 0.000 0.537 398 Q N 1.997 121.809 119.800 0.021 0.000 2.173 398 Q HA -0.277 4.063 4.340 -0.000 0.000 0.208 398 Q C 1.940 177.954 176.000 0.023 0.000 0.989 398 Q CA 2.055 57.872 55.803 0.022 0.000 0.872 398 Q CB -0.354 28.396 28.738 0.020 0.000 0.909 398 Q HN 0.816 nan 8.270 nan 0.000 0.420 399 Q N 0.450 120.265 119.800 0.024 0.000 2.030 399 Q HA -0.209 4.131 4.340 -0.000 0.000 0.204 399 Q C 1.765 177.795 176.000 0.050 0.000 0.986 399 Q CA 2.162 57.985 55.803 0.034 0.000 0.843 399 Q CB -0.139 28.618 28.738 0.032 0.000 0.904 399 Q HN 0.651 nan 8.270 nan 0.000 0.420 400 E N 0.129 120.348 120.200 0.031 0.000 2.110 400 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 400 E C 2.272 178.891 176.600 0.033 0.000 0.988 400 E CA 1.067 57.478 56.400 0.019 0.000 0.804 400 E CB -0.102 29.588 29.700 -0.015 0.000 0.745 400 E HN 0.336 nan 8.360 nan 0.000 0.458 401 L N 1.104 122.346 121.223 0.032 0.000 2.027 401 L HA -0.195 4.144 4.340 -0.000 0.000 0.206 401 L C 1.969 178.857 176.870 0.030 0.000 1.074 401 L CA 1.040 55.900 54.840 0.033 0.000 0.745 401 L CB -0.482 41.598 42.059 0.036 0.000 0.898 401 L HN 0.051 nan 8.230 nan 0.000 0.433 402 D N -1.045 119.373 120.400 0.030 0.000 2.182 402 D HA -0.224 4.416 4.640 -0.000 0.000 0.201 402 D C 1.985 178.287 176.300 0.003 0.000 0.986 402 D CA 1.322 55.328 54.000 0.010 0.000 0.847 402 D CB -0.203 40.599 40.800 0.002 0.000 0.942 402 D HN 0.441 nan 8.370 nan 0.000 0.467 403 H N -0.442 118.598 119.070 -0.050 0.000 2.395 403 H HA -0.022 4.534 4.556 -0.000 0.000 0.299 403 H C 1.973 177.237 175.328 -0.107 0.000 1.070 403 H CA 0.925 56.933 56.048 -0.068 0.000 1.356 403 H CB 0.299 30.024 29.762 -0.062 0.000 1.401 403 H HN -0.087 nan 8.280 nan 0.000 0.524 404 V N -0.187 119.751 119.914 0.040 0.000 2.261 404 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 404 V C 2.426 178.442 176.094 -0.131 0.000 1.047 404 V CA 1.586 63.809 62.300 -0.128 0.000 1.015 404 V CB -0.673 31.041 31.823 -0.182 0.000 0.642 404 V HN 0.296 nan 8.190 nan 0.000 0.446 405 V N -0.081 119.794 119.914 -0.065 0.000 2.287 405 V HA -0.306 3.814 4.120 -0.000 0.000 0.248 405 V C 2.491 178.548 176.094 -0.063 0.000 1.053 405 V CA 2.275 64.545 62.300 -0.050 0.000 1.027 405 V CB -0.730 31.082 31.823 -0.019 0.000 0.646 405 V HN 0.592 nan 8.190 nan 0.000 0.447 406 E N -0.486 119.668 120.200 -0.076 0.000 2.085 406 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 406 E C 2.376 178.918 176.600 -0.096 0.000 0.994 406 E CA 1.263 57.603 56.400 -0.099 0.000 0.801 406 E CB -0.105 29.496 29.700 -0.165 0.000 0.743 406 E HN 0.547 nan 8.360 nan 0.000 0.453 407 E N 0.558 120.703 120.200 -0.092 0.000 2.077 407 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 407 E C 2.246 178.781 176.600 -0.108 0.000 0.989 407 E CA 0.730 57.078 56.400 -0.086 0.000 0.800 407 E CB -0.202 29.462 29.700 -0.061 0.000 0.746 407 E HN 0.304 nan 8.360 nan 0.000 0.452 408 L N 0.441 121.589 121.223 -0.126 0.000 2.141 408 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 408 L C 2.282 179.123 176.870 -0.049 0.000 1.094 408 L CA 0.852 55.628 54.840 -0.105 0.000 0.763 408 L CB -0.209 41.789 42.059 -0.102 0.000 0.908 408 L HN 0.075 nan 8.230 nan 0.000 0.437 409 E N 0.122 120.295 120.200 -0.044 0.000 2.409 409 E HA -0.163 4.187 4.350 -0.000 0.000 0.198 409 E C 1.856 178.445 176.600 -0.019 0.000 1.024 409 E CA 0.528 56.915 56.400 -0.021 0.000 0.861 409 E CB 0.229 29.913 29.700 -0.027 0.000 0.788 409 E HN 0.367 nan 8.360 nan 0.000 0.521 410 K N -0.183 120.195 120.400 -0.037 0.000 2.228 410 K HA -0.037 4.283 4.320 -0.000 0.000 0.202 410 K C 1.877 178.464 176.600 -0.022 0.000 1.051 410 K CA 1.109 57.376 56.287 -0.035 0.000 0.960 410 K CB 0.171 32.639 32.500 -0.052 0.000 0.743 410 K HN 0.334 nan 8.250 nan 0.000 0.458 411 I N -4.296 116.260 120.570 -0.023 0.000 4.288 411 I HA 0.347 4.517 4.170 -0.000 0.000 0.331 411 I C 0.420 176.638 176.117 0.169 0.000 1.322 411 I CA -0.580 60.724 61.300 0.007 0.000 1.149 411 I CB 0.885 38.771 38.000 -0.190 0.000 1.112 411 I HN -0.161 nan 8.210 nan 0.000 0.403 412 A N 0.638 123.537 122.820 0.133 0.000 2.568 412 A HA 0.749 5.069 4.320 -0.000 0.000 0.291 412 A C -1.158 176.472 177.584 0.078 0.000 1.159 412 A CA -0.494 51.640 52.037 0.162 0.000 0.679 412 A CB 1.370 20.523 19.000 0.256 0.000 1.285 412 A HN -0.089 nan 8.150 nan 0.000 0.428 413 V N 1.147 121.098 119.914 0.062 0.000 2.385 413 V HA 0.468 4.588 4.120 -0.000 0.000 0.269 413 V C -0.301 175.817 176.094 0.040 0.000 1.043 413 V CA -0.263 62.059 62.300 0.037 0.000 0.906 413 V CB 0.788 32.626 31.823 0.025 0.000 0.995 413 V HN 0.607 nan 8.190 nan 0.000 0.467 414 V N 4.581 124.515 119.914 0.032 0.000 2.581 414 V HA 0.566 4.686 4.120 -0.000 0.000 0.303 414 V C -0.362 175.751 176.094 0.032 0.000 1.041 414 V CA -0.778 61.543 62.300 0.036 0.000 0.907 414 V CB 2.034 33.872 31.823 0.025 0.000 0.994 414 V HN 0.892 nan 8.190 nan 0.000 0.442 415 N N 2.589 121.313 118.700 0.041 0.000 2.410 415 N HA 0.595 5.335 4.740 -0.000 0.000 0.287 415 N C -1.269 174.270 175.510 0.048 0.000 1.044 415 N CA -0.344 52.729 53.050 0.038 0.000 0.881 415 N CB 2.124 40.632 38.487 0.035 0.000 1.405 415 N HN 0.743 nan 8.380 nan 0.000 0.490 416 L N 3.059 124.309 121.223 0.044 0.000 2.295 416 L HA 0.615 4.955 4.340 -0.000 0.000 0.285 416 L C -1.378 175.520 176.870 0.046 0.000 1.035 416 L CA -0.638 54.234 54.840 0.052 0.000 0.806 416 L CB 0.648 42.736 42.059 0.048 0.000 1.214 416 L HN 0.446 nan 8.230 nan 0.000 0.426 417 L N 5.722 126.976 121.223 0.052 0.000 2.415 417 L HA 0.466 4.806 4.340 -0.000 0.000 0.268 417 L C -0.334 176.565 176.870 0.049 0.000 0.984 417 L CA -0.478 54.390 54.840 0.046 0.000 0.853 417 L CB 1.590 43.676 42.059 0.045 0.000 1.215 417 L HN 0.562 nan 8.230 nan 0.000 0.419 418 K N 1.212 121.638 120.400 0.044 0.000 2.117 418 K HA 0.563 4.883 4.320 -0.000 0.000 0.240 418 K C 0.959 177.584 176.600 0.042 0.000 1.031 418 K CA 0.082 56.396 56.287 0.045 0.000 0.909 418 K CB 0.794 33.319 32.500 0.041 0.000 1.097 418 K HN 0.736 nan 8.250 nan 0.000 0.492 419 G N 1.527 110.353 108.800 0.043 0.000 2.273 419 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.280 419 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.280 419 G C -0.162 174.762 174.900 0.040 0.000 1.047 419 G CA 0.223 45.347 45.100 0.040 0.000 0.869 419 G HN 0.310 nan 8.290 nan 0.000 0.502 420 R N -0.523 120.004 120.500 0.044 0.000 2.705 420 R HA 0.937 5.277 4.340 -0.000 0.000 0.246 420 R C 0.220 176.547 176.300 0.044 0.000 1.142 420 R CA 0.006 56.133 56.100 0.045 0.000 1.114 420 R CB 1.071 31.400 30.300 0.049 0.000 1.256 420 R HN 1.082 nan 8.270 nan 0.000 0.536 421 A N 0.565 123.411 122.820 0.044 0.000 2.594 421 A HA 0.587 4.907 4.320 -0.000 0.000 0.295 421 A C -1.065 176.541 177.584 0.036 0.000 1.071 421 A CA -0.759 51.301 52.037 0.038 0.000 0.685 421 A CB 1.396 20.419 19.000 0.038 0.000 1.285 421 A HN 0.482 nan 8.150 nan 0.000 0.405 422 I N 1.956 122.532 120.570 0.011 0.000 2.354 422 I HA 0.376 4.546 4.170 -0.000 0.000 0.292 422 I C -0.684 175.420 176.117 -0.023 0.000 0.989 422 I CA -0.170 61.123 61.300 -0.012 0.000 1.188 422 I CB 1.144 39.099 38.000 -0.075 0.000 1.342 422 I HN 0.479 nan 8.210 nan 0.000 0.457 423 I N 4.876 125.445 120.570 -0.002 0.000 2.321 423 I HA 0.187 4.357 4.170 -0.000 0.000 0.291 423 I C 0.367 176.363 176.117 -0.203 0.000 0.998 423 I CA 0.021 61.297 61.300 -0.039 0.000 1.227 423 I CB 1.380 39.424 38.000 0.074 0.000 1.368 423 I HN 0.507 nan 8.210 nan 0.000 0.466 424 S N 6.770 122.353 115.700 -0.194 0.000 2.442 424 S HA 0.501 4.971 4.470 -0.000 0.000 0.297 424 S C -0.473 173.981 174.600 -0.243 0.000 1.131 424 S CA -0.522 57.522 58.200 -0.260 0.000 1.092 424 S CB 0.940 64.025 63.200 -0.191 0.000 0.998 424 S HN 0.228 nan 8.310 nan 0.000 0.478 425 L N 5.061 126.078 121.223 -0.343 0.000 2.257 425 L HA 0.459 4.799 4.340 -0.000 0.000 0.290 425 L C -0.483 176.277 176.870 -0.184 0.000 1.044 425 L CA -0.119 54.562 54.840 -0.266 0.000 0.810 425 L CB 0.774 42.631 42.059 -0.336 0.000 1.193 425 L HN 0.530 nan 8.230 nan 0.000 0.425 426 I N 3.578 124.078 120.570 -0.116 0.000 2.328 426 I HA 0.632 4.802 4.170 -0.000 0.000 0.287 426 I C 0.678 176.764 176.117 -0.051 0.000 1.012 426 I CA -0.103 61.156 61.300 -0.068 0.000 1.195 426 I CB 0.580 38.561 38.000 -0.031 0.000 1.350 426 I HN 0.612 nan 8.210 nan 0.000 0.464 427 G N 5.258 114.027 108.800 -0.051 0.000 2.911 427 G HA2 0.227 4.187 3.960 -0.000 0.000 0.299 427 G HA3 0.227 4.187 3.960 -0.000 0.000 0.299 427 G C -1.034 173.865 174.900 -0.001 0.000 1.283 427 G CA -0.492 44.590 45.100 -0.030 0.000 0.805 427 G HN 0.436 nan 8.290 nan 0.000 0.548 428 N N 0.270 118.987 118.700 0.028 0.000 2.420 428 N HA 0.157 4.897 4.740 -0.000 0.000 0.249 428 N C 1.172 176.667 175.510 -0.025 0.000 1.033 428 N CA -0.337 52.726 53.050 0.021 0.000 0.944 428 N CB 1.567 40.111 38.487 0.094 0.000 1.113 428 N HN 0.158 nan 8.380 nan 0.000 0.502 429 V N 3.633 123.518 119.914 -0.049 0.000 2.568 429 V HA -0.207 3.913 4.120 -0.000 0.000 0.253 429 V C 1.831 177.863 176.094 -0.103 0.000 1.072 429 V CA 1.712 63.980 62.300 -0.053 0.000 1.084 429 V CB -0.331 31.468 31.823 -0.040 0.000 0.676 429 V HN 0.674 nan 8.190 nan 0.000 0.469 430 Q N -0.586 119.081 119.800 -0.221 0.000 2.364 430 Q HA -0.094 4.246 4.340 -0.000 0.000 0.209 430 Q C 1.166 176.876 176.000 -0.482 0.000 0.977 430 Q CA 1.217 56.787 55.803 -0.388 0.000 0.885 430 Q CB -0.071 28.339 28.738 -0.546 0.000 0.941 430 Q HN 0.781 nan 8.270 nan 0.000 0.464 431 H N -2.153 116.932 119.070 0.025 0.000 2.510 431 H HA 0.276 4.832 4.556 -0.000 0.000 0.266 431 H C 1.231 176.591 175.328 0.053 0.000 1.146 431 H CA 0.303 56.374 56.048 0.037 0.000 0.993 431 H CB 0.332 30.118 29.762 0.041 0.000 1.727 431 H HN 0.100 nan 8.280 nan 0.000 0.590 432 S N 0.904 116.662 115.700 0.096 0.000 2.369 432 S HA -0.224 4.246 4.470 -0.000 0.000 0.225 432 S C 2.141 176.820 174.600 0.132 0.000 1.043 432 S CA 2.136 60.393 58.200 0.095 0.000 1.074 432 S CB 0.093 63.328 63.200 0.058 0.000 0.962 432 S HN 0.425 nan 8.310 nan 0.000 0.433 433 S N 1.683 117.452 115.700 0.116 0.000 2.359 433 S HA -0.097 4.373 4.470 -0.000 0.000 0.224 433 S C 1.749 176.431 174.600 0.137 0.000 1.035 433 S CA 1.352 59.622 58.200 0.116 0.000 1.018 433 S CB -0.761 62.486 63.200 0.079 0.000 0.876 433 S HN 0.534 nan 8.310 nan 0.000 0.448 434 L N 2.289 123.596 121.223 0.139 0.000 1.990 434 L HA -0.080 4.260 4.340 -0.000 0.000 0.213 434 L C 1.913 178.894 176.870 0.185 0.000 1.072 434 L CA 1.677 56.593 54.840 0.127 0.000 0.755 434 L CB -1.103 41.021 42.059 0.109 0.000 0.889 434 L HN 0.303 nan 8.230 nan 0.000 0.432 435 I N -1.001 119.717 120.570 0.246 0.000 2.151 435 I HA -0.318 3.852 4.170 -0.000 0.000 0.243 435 I C 2.286 178.635 176.117 0.386 0.000 1.080 435 I CA 1.009 62.524 61.300 0.358 0.000 1.339 435 I CB -0.361 37.746 38.000 0.178 0.000 1.039 435 I HN 0.301 nan 8.210 nan 0.000 0.409 436 L N 0.196 121.604 121.223 0.307 0.000 2.109 436 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 436 L C 2.448 179.577 176.870 0.431 0.000 1.086 436 L CA 1.585 56.669 54.840 0.406 0.000 0.760 436 L CB -1.233 41.066 42.059 0.399 0.000 0.910 436 L HN 0.311 nan 8.230 nan 0.000 0.437 437 E N -0.179 120.182 120.200 0.268 0.000 2.058 437 E HA -0.289 4.061 4.350 -0.000 0.000 0.194 437 E C 2.413 179.137 176.600 0.207 0.000 0.997 437 E CA 1.469 57.986 56.400 0.196 0.000 0.801 437 E CB 0.032 29.786 29.700 0.091 0.000 0.746 437 E HN 0.301 nan 8.360 nan 0.000 0.450 438 R N -0.062 120.534 120.500 0.160 0.000 2.070 438 R HA -0.145 4.194 4.340 -0.000 0.000 0.233 438 R C 2.360 178.751 176.300 0.152 0.000 1.137 438 R CA 1.403 57.537 56.100 0.057 0.000 0.945 438 R CB -0.357 29.811 30.300 -0.220 0.000 0.845 438 R HN 0.228 nan 8.270 nan 0.000 0.430 439 A N 0.439 123.436 122.820 0.295 0.000 1.859 439 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 439 A C 2.049 179.622 177.584 -0.019 0.000 1.198 439 A CA 1.674 53.841 52.037 0.217 0.000 0.629 439 A CB -0.990 18.119 19.000 0.181 0.000 0.830 439 A HN 0.415 nan 8.150 nan 0.000 0.446 440 F N -1.115 118.892 119.950 0.094 0.000 2.293 440 F HA -0.114 4.412 4.527 -0.000 0.000 0.300 440 F C 2.260 178.111 175.800 0.085 0.000 1.086 440 F CA 1.562 59.571 58.000 0.014 0.000 1.375 440 F CB -0.510 38.477 39.000 -0.022 0.000 1.045 440 F HN 0.516 nan 8.300 nan 0.000 0.516 441 H N -0.035 119.153 119.070 0.195 0.000 2.321 441 H HA -0.148 4.408 4.556 -0.000 0.000 0.300 441 H C 2.161 177.578 175.328 0.148 0.000 1.087 441 H CA 2.047 58.193 56.048 0.164 0.000 1.319 441 H CB -0.492 29.321 29.762 0.085 0.000 1.379 441 H HN 0.023 nan 8.280 nan 0.000 0.501 442 V N 0.727 120.636 119.914 -0.009 0.000 2.287 442 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 442 V C 2.764 178.805 176.094 -0.088 0.000 1.053 442 V CA 1.987 64.234 62.300 -0.088 0.000 1.027 442 V CB -0.699 31.124 31.823 0.001 0.000 0.646 442 V HN 0.417 nan 8.190 nan 0.000 0.447 443 L N -1.206 119.992 121.223 -0.043 0.000 2.083 443 L HA -0.222 4.118 4.340 -0.000 0.000 0.209 443 L C 2.520 179.394 176.870 0.008 0.000 1.083 443 L CA 2.088 56.903 54.840 -0.042 0.000 0.752 443 L CB -0.753 41.245 42.059 -0.103 0.000 0.899 443 L HN 0.467 nan 8.230 nan 0.000 0.433 444 Y N 0.982 121.244 120.300 -0.064 0.000 2.181 444 Y HA -0.266 4.284 4.550 -0.000 0.000 0.288 444 Y C 2.612 178.447 175.900 -0.108 0.000 1.146 444 Y CA 2.047 60.111 58.100 -0.059 0.000 1.164 444 Y CB -0.681 37.764 38.460 -0.025 0.000 0.982 444 Y HN 0.035 nan 8.280 nan 0.000 0.515 445 T N 0.834 115.179 114.554 -0.348 0.000 2.699 445 T HA -0.218 4.132 4.350 -0.000 0.000 0.268 445 T C 1.650 176.177 174.700 -0.288 0.000 1.036 445 T CA 2.169 64.027 62.100 -0.403 0.000 1.147 445 T CB -0.215 68.453 68.868 -0.334 0.000 0.862 445 T HN 0.367 nan 8.240 nan 0.000 0.446 446 K N 0.172 120.455 120.400 -0.194 0.000 2.418 446 K HA 0.223 4.543 4.320 -0.000 0.000 0.195 446 K C 1.424 177.949 176.600 -0.125 0.000 1.035 446 K CA 0.461 56.669 56.287 -0.133 0.000 1.003 446 K CB 0.175 32.622 32.500 -0.089 0.000 0.793 446 K HN 0.412 nan 8.250 nan 0.000 0.494 447 G N 1.460 110.168 108.800 -0.153 0.000 2.160 447 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.244 447 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.244 447 G C -0.115 174.760 174.900 -0.041 0.000 1.022 447 G CA -0.108 44.929 45.100 -0.106 0.000 0.741 447 G HN 0.105 nan 8.290 nan 0.000 0.508 448 V N 0.801 120.699 119.914 -0.027 0.000 2.394 448 V HA 0.510 4.630 4.120 -0.000 0.000 0.282 448 V C -0.061 176.045 176.094 0.020 0.000 1.031 448 V CA -1.146 61.149 62.300 -0.009 0.000 0.881 448 V CB 1.659 33.468 31.823 -0.024 0.000 0.982 448 V HN 0.322 nan 8.190 nan 0.000 0.451 449 N N 3.056 121.772 118.700 0.026 0.000 2.424 449 N HA 0.406 5.146 4.740 -0.000 0.000 0.271 449 N C -0.515 175.016 175.510 0.035 0.000 0.985 449 N CA -0.374 52.702 53.050 0.043 0.000 0.921 449 N CB 2.095 40.608 38.487 0.043 0.000 1.149 449 N HN 0.395 nan 8.380 nan 0.000 0.492 450 V N 3.049 122.986 119.914 0.039 0.000 2.521 450 V HA -0.014 4.106 4.120 -0.000 0.000 0.286 450 V C 1.539 177.678 176.094 0.075 0.000 1.034 450 V CA 0.337 62.663 62.300 0.044 0.000 1.045 450 V CB 0.892 32.718 31.823 0.005 0.000 0.974 450 V HN 0.634 nan 8.190 nan 0.000 0.480 451 Q N 3.489 123.336 119.800 0.079 0.000 2.269 451 Q HA 0.209 4.549 4.340 -0.000 0.000 0.201 451 Q C 0.547 176.597 176.000 0.084 0.000 0.946 451 Q CA 0.823 56.669 55.803 0.071 0.000 0.877 451 Q CB 0.427 29.202 28.738 0.062 0.000 0.963 451 Q HN 0.760 nan 8.270 nan 0.000 0.472 452 M N 0.486 120.155 119.600 0.115 0.000 2.322 452 M HA 0.408 4.888 4.480 -0.000 0.000 0.285 452 M C -2.100 174.309 176.300 0.182 0.000 1.119 452 M CA -0.350 55.023 55.300 0.121 0.000 0.953 452 M CB 1.796 34.454 32.600 0.096 0.000 1.701 452 M HN -0.087 nan 8.290 nan 0.000 0.479 453 I N 2.371 123.051 120.570 0.184 0.000 2.569 453 I HA 0.627 4.797 4.170 -0.000 0.000 0.296 453 I C -0.573 175.635 176.117 0.152 0.000 1.028 453 I CA -0.702 60.749 61.300 0.252 0.000 1.082 453 I CB 2.274 40.466 38.000 0.320 0.000 1.264 453 I HN 0.679 nan 8.210 nan 0.000 0.429 454 S N 5.182 120.953 115.700 0.118 0.000 2.706 454 S HA 0.323 4.793 4.470 -0.000 0.000 0.270 454 S C -1.279 173.336 174.600 0.024 0.000 1.163 454 S CA -0.508 57.727 58.200 0.059 0.000 1.042 454 S CB 0.934 64.156 63.200 0.036 0.000 1.079 454 S HN 0.682 nan 8.310 nan 0.000 0.474 455 Q N 3.774 123.594 119.800 0.032 0.000 2.321 455 Q HA 0.661 5.001 4.340 -0.000 0.000 0.270 455 Q C 0.073 176.078 176.000 0.009 0.000 1.032 455 Q CA -0.742 55.067 55.803 0.011 0.000 0.784 455 Q CB 1.628 30.382 28.738 0.027 0.000 1.264 455 Q HN 0.761 nan 8.270 nan 0.000 0.448 456 G N 1.391 110.188 108.800 -0.005 0.000 2.557 456 G HA2 0.518 4.478 3.960 -0.000 0.000 0.292 456 G HA3 0.518 4.478 3.960 -0.000 0.000 0.292 456 G C -0.502 174.396 174.900 -0.004 0.000 1.237 456 G CA -0.295 44.802 45.100 -0.005 0.000 0.978 456 G HN 0.800 nan 8.290 nan 0.000 0.498 457 A N -0.080 122.737 122.820 -0.005 0.000 2.515 457 A HA 0.398 4.718 4.320 -0.000 0.000 0.276 457 A C 1.361 178.941 177.584 -0.007 0.000 1.104 457 A CA 1.045 53.080 52.037 -0.005 0.000 0.822 457 A CB -1.000 17.997 19.000 -0.006 0.000 1.016 457 A HN 1.700 nan 8.150 nan 0.000 0.530 458 S N 0.469 116.166 115.700 -0.006 0.000 3.477 458 S HA -0.134 4.336 4.470 -0.000 0.000 0.357 458 S C 0.460 175.052 174.600 -0.013 0.000 1.083 458 S CA 1.479 59.673 58.200 -0.010 0.000 1.042 458 S CB -1.100 62.093 63.200 -0.013 0.000 0.911 458 S HN 0.826 nan 8.310 nan 0.000 0.490 459 K N 0.943 121.335 120.400 -0.013 0.000 2.202 459 K HA 0.300 4.619 4.320 -0.000 0.000 0.264 459 K C 1.566 178.152 176.600 -0.023 0.000 1.010 459 K CA -0.037 56.239 56.287 -0.018 0.000 0.940 459 K CB 0.489 32.976 32.500 -0.022 0.000 0.983 459 K HN 0.190 nan 8.250 nan 0.000 0.475 460 V N -1.302 118.598 119.914 -0.024 0.000 3.141 460 V HA -0.038 4.082 4.120 -0.000 0.000 0.265 460 V C 0.667 176.732 176.094 -0.047 0.000 1.126 460 V CA 0.570 62.852 62.300 -0.029 0.000 1.141 460 V CB -0.628 31.184 31.823 -0.019 0.000 0.743 460 V HN 0.568 nan 8.190 nan 0.000 0.492 461 N N 0.974 119.642 118.700 -0.055 0.000 2.444 461 N HA 0.418 5.158 4.740 -0.000 0.000 0.262 461 N C -1.250 174.197 175.510 -0.105 0.000 0.974 461 N CA -0.554 52.445 53.050 -0.085 0.000 0.933 461 N CB 1.664 40.107 38.487 -0.073 0.000 1.137 461 N HN 0.537 nan 8.380 nan 0.000 0.498 462 I N 2.050 122.521 120.570 -0.166 0.000 2.465 462 I HA 0.375 4.545 4.170 -0.000 0.000 0.291 462 I C -0.839 175.043 176.117 -0.392 0.000 1.014 462 I CA -0.453 60.725 61.300 -0.204 0.000 1.093 462 I CB 1.336 39.251 38.000 -0.142 0.000 1.267 462 I HN 0.330 nan 8.210 nan 0.000 0.431 463 S N 7.152 122.675 115.700 -0.294 0.000 2.451 463 S HA 0.598 5.068 4.470 -0.000 0.000 0.301 463 S C -0.816 173.667 174.600 -0.195 0.000 1.116 463 S CA -0.389 57.625 58.200 -0.311 0.000 1.093 463 S CB 1.032 64.142 63.200 -0.151 0.000 1.017 463 S HN 0.423 nan 8.310 nan 0.000 0.482 464 F N 1.913 121.855 119.950 -0.014 0.000 2.458 464 F HA 0.534 5.061 4.527 -0.000 0.000 0.336 464 F C -0.136 175.666 175.800 0.004 0.000 1.114 464 F CA -1.177 56.827 58.000 0.006 0.000 0.987 464 F CB 0.876 39.859 39.000 -0.028 0.000 1.130 464 F HN 0.282 nan 8.300 nan 0.000 0.458 465 I N 3.525 124.226 120.570 0.218 0.000 2.342 465 I HA 0.369 4.539 4.170 -0.000 0.000 0.291 465 I C -0.129 176.059 176.117 0.118 0.000 1.010 465 I CA -0.225 61.152 61.300 0.128 0.000 1.308 465 I CB 1.263 39.319 38.000 0.093 0.000 1.400 465 I HN 0.374 nan 8.210 nan 0.000 0.488 466 V N 6.494 126.463 119.914 0.092 0.000 3.158 466 V HA 0.526 4.645 4.120 -0.000 0.000 0.311 466 V C -0.520 175.605 176.094 0.052 0.000 1.181 466 V CA -0.933 61.409 62.300 0.070 0.000 1.054 466 V CB 2.581 34.450 31.823 0.076 0.000 1.085 466 V HN 0.677 nan 8.190 nan 0.000 0.446 467 N N 1.645 120.369 118.700 0.040 0.000 2.514 467 N HA 0.156 4.896 4.740 -0.000 0.000 0.277 467 N C 0.695 176.224 175.510 0.032 0.000 1.126 467 N CA -0.027 53.044 53.050 0.034 0.000 0.978 467 N CB 1.577 40.080 38.487 0.027 0.000 1.106 467 N HN 0.818 nan 8.380 nan 0.000 0.461 468 E N 2.939 123.158 120.200 0.032 0.000 2.114 468 E HA -0.220 4.130 4.350 -0.000 0.000 0.199 468 E C 1.408 178.023 176.600 0.025 0.000 1.008 468 E CA 1.959 58.377 56.400 0.031 0.000 0.810 468 E CB -0.141 29.578 29.700 0.033 0.000 0.739 468 E HN 0.685 nan 8.360 nan 0.000 0.456 469 A N 0.587 123.420 122.820 0.021 0.000 2.015 469 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 469 A C 1.952 179.543 177.584 0.011 0.000 1.163 469 A CA 1.681 53.727 52.037 0.015 0.000 0.646 469 A CB -0.621 18.387 19.000 0.013 0.000 0.806 469 A HN 0.585 nan 8.150 nan 0.000 0.448 470 E N -0.926 119.281 120.200 0.012 0.000 2.476 470 E HA 0.374 4.724 4.350 -0.000 0.000 0.199 470 E C 1.723 178.328 176.600 0.008 0.000 1.021 470 E CA 0.542 56.945 56.400 0.005 0.000 0.907 470 E CB -0.196 29.507 29.700 0.004 0.000 0.974 470 E HN 0.371 nan 8.360 nan 0.000 0.489 471 A N 2.316 125.146 122.820 0.017 0.000 1.865 471 A HA -0.272 4.048 4.320 -0.000 0.000 0.217 471 A C 2.160 179.754 177.584 0.017 0.000 1.191 471 A CA 1.847 53.898 52.037 0.025 0.000 0.623 471 A CB -0.658 18.360 19.000 0.031 0.000 0.826 471 A HN 0.373 nan 8.150 nan 0.000 0.444 472 E N -0.935 119.272 120.200 0.011 0.000 2.058 472 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 472 E C 2.075 178.661 176.600 -0.023 0.000 0.997 472 E CA 1.017 57.419 56.400 0.003 0.000 0.801 472 E CB -0.410 29.295 29.700 0.008 0.000 0.746 472 E HN 0.556 nan 8.360 nan 0.000 0.450 473 G N 0.019 108.803 108.800 -0.026 0.000 2.432 473 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.219 473 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.219 473 G C 1.636 176.505 174.900 -0.052 0.000 1.135 473 G CA 0.889 45.960 45.100 -0.049 0.000 0.767 473 G HN 0.358 nan 8.290 nan 0.000 0.550 474 C N -0.316 118.971 119.300 -0.022 0.000 2.476 474 C HA 0.043 4.503 4.460 -0.000 0.000 0.278 474 C C 3.028 178.026 174.990 0.012 0.000 1.274 474 C CA 0.563 59.578 59.018 -0.004 0.000 1.713 474 C CB -0.796 26.954 27.740 0.017 0.000 2.039 474 C HN 0.297 nan 8.230 nan 0.000 0.484 475 V N 0.812 120.734 119.914 0.015 0.000 2.287 475 V HA -0.306 3.814 4.120 -0.000 0.000 0.248 475 V C 2.462 178.556 176.094 -0.001 0.000 1.053 475 V CA 2.048 64.373 62.300 0.042 0.000 1.027 475 V CB -0.887 30.962 31.823 0.044 0.000 0.646 475 V HN 0.628 nan 8.190 nan 0.000 0.447 476 Q N -0.217 119.483 119.800 -0.166 0.000 2.061 476 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 476 Q C 2.447 178.275 176.000 -0.286 0.000 0.984 476 Q CA 1.861 57.354 55.803 -0.517 0.000 0.846 476 Q CB -0.482 27.879 28.738 -0.628 0.000 0.902 476 Q HN 0.675 nan 8.270 nan 0.000 0.421 477 A N 1.051 123.795 122.820 -0.128 0.000 1.883 477 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 477 A C 2.116 179.736 177.584 0.060 0.000 1.186 477 A CA 1.273 53.286 52.037 -0.039 0.000 0.624 477 A CB -0.815 18.164 19.000 -0.035 0.000 0.822 477 A HN 0.297 nan 8.150 nan 0.000 0.444 478 L N -1.502 119.794 121.223 0.121 0.000 2.046 478 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 478 L C 2.766 179.863 176.870 0.377 0.000 1.077 478 L CA 1.687 56.684 54.840 0.262 0.000 0.747 478 L CB -0.703 41.506 42.059 0.249 0.000 0.896 478 L HN 0.598 nan 8.230 nan 0.000 0.432 479 H N 0.971 120.199 119.070 0.265 0.000 2.353 479 H HA -0.158 4.397 4.556 -0.000 0.000 0.300 479 H C 2.179 177.742 175.328 0.390 0.000 1.090 479 H CA 1.665 57.981 56.048 0.447 0.000 1.327 479 H CB 0.272 30.285 29.762 0.419 0.000 1.383 479 H HN 0.263 nan 8.280 nan 0.000 0.508 480 K N -0.184 120.427 120.400 0.351 0.000 2.063 480 K HA -0.111 4.209 4.320 -0.000 0.000 0.208 480 K C 2.513 179.181 176.600 0.113 0.000 1.048 480 K CA 1.417 57.849 56.287 0.242 0.000 0.928 480 K CB -0.060 32.517 32.500 0.128 0.000 0.713 480 K HN 0.040 nan 8.250 nan 0.000 0.442 481 S N -0.655 115.075 115.700 0.049 0.000 2.414 481 S HA 0.001 4.471 4.470 -0.000 0.000 0.227 481 S C 1.489 175.909 174.600 -0.300 0.000 1.022 481 S CA 0.788 58.912 58.200 -0.128 0.000 0.958 481 S CB 0.005 63.091 63.200 -0.189 0.000 0.797 481 S HN 0.228 nan 8.310 nan 0.000 0.493 482 F N -0.847 118.984 119.950 -0.198 0.000 2.559 482 F HA 0.386 4.913 4.527 -0.000 0.000 0.286 482 F C 1.098 176.498 175.800 -0.666 0.000 1.108 482 F CA 0.260 57.964 58.000 -0.494 0.000 1.436 482 F CB 0.293 38.839 39.000 -0.758 0.000 1.130 482 F HN 0.189 nan 8.300 nan 0.000 0.584 483 F N -1.084 118.863 119.950 -0.005 0.000 2.746 483 F HA 0.202 4.729 4.527 -0.000 0.000 0.313 483 F C 1.371 177.154 175.800 -0.028 0.000 1.095 483 F CA 0.138 58.077 58.000 -0.102 0.000 1.224 483 F CB 0.264 39.021 39.000 -0.405 0.000 1.060 483 F HN -0.169 nan 8.300 nan 0.000 0.584 484 E N -0.748 119.541 120.200 0.149 0.000 2.562 484 E HA 0.125 4.474 4.350 -0.000 0.000 0.214 484 E C 1.001 177.645 176.600 0.074 0.000 0.979 484 E CA 0.064 56.551 56.400 0.145 0.000 1.002 484 E CB 0.476 30.304 29.700 0.215 0.000 1.048 484 E HN 0.008 nan 8.360 nan 0.000 0.488 485 S N 1.051 116.763 115.700 0.021 0.000 2.679 485 S HA 0.276 4.746 4.470 -0.000 0.000 0.233 485 S C 0.643 175.233 174.600 -0.016 0.000 0.951 485 S CA 0.287 58.478 58.200 -0.015 0.000 0.973 485 S CB 0.247 63.405 63.200 -0.071 0.000 0.778 485 S HN 0.495 nan 8.310 nan 0.000 0.477 486 G N 2.118 110.924 108.800 0.010 0.000 2.750 486 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.228 486 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.228 486 G C -0.693 174.206 174.900 -0.001 0.000 1.367 486 G CA -0.511 44.595 45.100 0.010 0.000 0.871 486 G HN 0.398 nan 8.290 nan 0.000 0.560 487 D N -0.090 120.310 120.400 0.000 0.000 2.434 487 D HA 0.226 4.865 4.640 -0.000 0.000 0.252 487 D C 1.425 177.707 176.300 -0.030 0.000 1.185 487 D CA 0.064 54.060 54.000 -0.005 0.000 0.886 487 D CB 0.269 41.069 40.800 -0.001 0.000 1.148 487 D HN 0.442 nan 8.370 nan 0.000 0.483 488 L N 3.055 124.253 121.223 -0.042 0.000 2.888 488 L HA 0.108 4.448 4.340 -0.000 0.000 0.237 488 L C 0.503 177.325 176.870 -0.080 0.000 1.288 488 L CA -0.153 54.645 54.840 -0.070 0.000 1.110 488 L CB -0.100 41.908 42.059 -0.085 0.000 1.441 488 L HN 0.216 nan 8.230 nan 0.000 0.474 489 S N 2.068 117.731 115.700 -0.062 0.000 3.530 489 S HA 0.065 4.535 4.470 -0.000 0.000 0.279 489 S C 0.672 175.235 174.600 -0.061 0.000 1.280 489 S CA -0.211 57.949 58.200 -0.066 0.000 0.946 489 S CB -0.334 62.840 63.200 -0.042 0.000 1.501 489 S HN 0.355 nan 8.310 nan 0.000 0.498 490 E N 3.652 123.807 120.200 -0.076 0.000 3.786 490 E HA 0.203 4.553 4.350 -0.000 0.000 0.215 490 E C -0.873 175.687 176.600 -0.066 0.000 1.188 490 E CA -0.415 55.947 56.400 -0.062 0.000 1.248 490 E CB -0.167 29.497 29.700 -0.060 0.000 1.260 490 E HN 0.397 nan 8.360 nan 0.000 0.426 491 L N 0.975 122.158 121.223 -0.067 0.000 2.357 491 L HA 0.320 4.660 4.340 -0.000 0.000 0.273 491 L C 0.689 177.547 176.870 -0.019 0.000 1.080 491 L CA -1.126 53.682 54.840 -0.054 0.000 0.803 491 L CB 1.043 43.062 42.059 -0.067 0.000 1.174 491 L HN 0.253 nan 8.230 nan 0.000 0.443 492 L N 4.188 125.411 121.223 0.001 0.000 2.530 492 L HA 0.147 4.487 4.340 -0.000 0.000 0.273 492 L C 0.044 176.920 176.870 0.010 0.000 1.141 492 L CA 0.742 55.586 54.840 0.006 0.000 0.905 492 L CB -0.264 41.803 42.059 0.014 0.000 1.202 492 L HN 0.506 nan 8.230 nan 0.000 0.473 493 I N 1.990 122.562 120.570 0.004 0.000 3.516 493 I HA 0.621 4.791 4.170 -0.000 0.000 0.307 493 I C -0.540 175.578 176.117 0.002 0.000 1.157 493 I CA -0.977 60.326 61.300 0.005 0.000 0.983 493 I CB 1.131 39.133 38.000 0.004 0.000 1.351 493 I HN 0.303 nan 8.210 nan 0.000 0.484 494 Q N 0.000 119.801 119.800 0.002 0.000 2.315 494 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 494 Q CA 0.000 55.803 55.803 0.000 0.000 1.022 494 Q CB 0.000 28.739 28.738 0.001 0.000 1.108 494 Q HN 0.000 nan 8.270 nan 0.000 0.481