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 2h2e_1_C DATA FIRST_RESID 50 DATA SEQUENCE LSPAVQTFWK WLQEEGVITA KTPVKASVVT EGLGLVALKD ISRNDVILQV DATA SEQUENCE PKRLWINPDA VAASEIGRVC SELKPWLSVI LFLIRERSRE DSVWKHYFGI DATA SEQUENCE LPQETDSTIY WSEEELQELQ GSQLLKTTVS VKEYVKNECL KLEQEIILPN DATA SEQUENCE KRLFPDPVTL DDFFWAFGIL RSRAFSRLRN ENLVVVPMAD LINHSAGVTT DATA SEQUENCE EDHAYEVKGA AGLFSWDYLF SLKSPLSVKA GEQVYIQYDL NKSNAELALD DATA SEQUENCE YGFIEPNENR HAYTLTLEIS ESDPFFDDKL DVAESNGFAQ TAYFDIFYNR DATA SEQUENCE TLPPGLLPYL RLVALGGTDA FLLESLFRDT IWGHLELSVS RDNEELLCKA DATA SEQUENCE VREACKSALA GYHTTIEQDR ELKEGNLDSR LAIAVGIREG EKMVLQQIDG DATA SEQUENCE IFEQKELELD QLEYYQERRL KDLGLCGENG DILENLYF 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 50 L HA 0.000 nan 4.340 nan 0.000 0.249 50 L C 0.000 176.874 176.870 0.006 0.000 1.165 50 L CA 0.000 54.829 54.840 -0.018 0.000 0.813 50 L CB 0.000 42.034 42.059 -0.042 0.000 0.961 51 S N 1.230 116.942 115.700 0.019 0.000 2.624 51 S HA 0.463 4.933 4.470 -0.000 0.000 0.263 51 S C -1.988 172.641 174.600 0.048 0.000 1.287 51 S CA -1.062 57.156 58.200 0.029 0.000 0.990 51 S CB 1.104 64.322 63.200 0.029 0.000 0.950 51 S HN 0.435 nan 8.310 nan 0.000 0.561 52 P HA -0.160 nan 4.420 nan 0.000 0.216 52 P C 1.662 179.015 177.300 0.088 0.000 1.154 52 P CA 2.165 65.301 63.100 0.060 0.000 0.865 52 P CB -0.299 31.431 31.700 0.050 0.000 0.789 53 A N -0.772 122.104 122.820 0.093 0.000 1.883 53 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 53 A C 2.331 180.031 177.584 0.194 0.000 1.186 53 A CA 2.241 54.357 52.037 0.131 0.000 0.624 53 A CB -1.756 17.306 19.000 0.104 0.000 0.822 53 A HN 0.045 nan 8.150 nan 0.000 0.444 54 V N -0.225 119.788 119.914 0.164 0.000 2.343 54 V HA -0.322 3.798 4.120 -0.000 0.000 0.247 54 V C 2.719 178.995 176.094 0.303 0.000 1.051 54 V CA 2.417 64.855 62.300 0.231 0.000 1.036 54 V CB -0.966 30.925 31.823 0.115 0.000 0.654 54 V HN 0.721 nan 8.190 nan 0.000 0.451 55 Q N 0.354 120.267 119.800 0.187 0.000 2.077 55 Q HA -0.217 4.123 4.340 -0.000 0.000 0.206 55 Q C 2.225 178.353 176.000 0.213 0.000 0.989 55 Q CA 2.797 58.705 55.803 0.175 0.000 0.853 55 Q CB -0.569 28.229 28.738 0.100 0.000 0.907 55 Q HN 0.657 nan 8.270 nan 0.000 0.418 56 T N 0.031 114.683 114.554 0.163 0.000 2.777 56 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 56 T C 1.269 176.029 174.700 0.100 0.000 1.040 56 T CA 1.143 63.277 62.100 0.057 0.000 1.141 56 T CB -0.504 68.349 68.868 -0.025 0.000 0.868 56 T HN 0.391 nan 8.240 nan 0.000 0.444 57 F N 0.423 120.471 119.950 0.164 0.000 2.161 57 F HA -0.059 4.468 4.527 -0.000 0.000 0.300 57 F C 2.138 178.205 175.800 0.446 0.000 1.089 57 F CA 0.990 59.197 58.000 0.346 0.000 1.282 57 F CB -0.255 38.971 39.000 0.377 0.000 1.010 57 F HN 0.261 nan 8.300 nan 0.000 0.485 58 W N 1.182 122.585 121.300 0.172 0.000 2.409 58 W HA -0.204 4.456 4.660 -0.000 0.000 0.299 58 W C 2.385 178.886 176.519 -0.031 0.000 1.203 58 W CA 1.545 58.922 57.345 0.055 0.000 1.298 58 W CB -0.294 29.237 29.460 0.117 0.000 1.127 58 W HN 0.023 nan 8.180 nan 0.000 0.528 59 K N 0.475 120.960 120.400 0.141 0.000 2.009 59 K HA -0.287 4.033 4.320 -0.000 0.000 0.210 59 K C 1.787 178.347 176.600 -0.067 0.000 1.049 59 K CA 2.395 58.699 56.287 0.028 0.000 0.929 59 K CB -1.687 30.844 32.500 0.052 0.000 0.714 59 K HN 0.137 nan 8.250 nan 0.000 0.440 60 W N 1.215 122.379 121.300 -0.227 0.000 2.308 60 W HA -0.211 4.449 4.660 -0.000 0.000 0.301 60 W C 1.425 177.781 176.519 -0.272 0.000 1.220 60 W CA 2.089 59.307 57.345 -0.212 0.000 1.240 60 W CB -0.365 29.003 29.460 -0.153 0.000 1.142 60 W HN 0.166 nan 8.180 nan 0.000 0.521 61 L N 0.135 120.938 121.223 -0.699 0.000 2.217 61 L HA -0.188 4.152 4.340 -0.000 0.000 0.211 61 L C 2.618 179.087 176.870 -0.668 0.000 1.107 61 L CA 1.271 55.544 54.840 -0.945 0.000 0.783 61 L CB -0.748 40.742 42.059 -0.948 0.000 0.919 61 L HN 0.120 nan 8.230 nan 0.000 0.442 62 Q N -0.161 119.342 119.800 -0.495 0.000 2.083 62 Q HA -0.173 4.167 4.340 -0.000 0.000 0.198 62 Q C 2.033 177.871 176.000 -0.269 0.000 0.969 62 Q CA 1.306 56.911 55.803 -0.330 0.000 0.838 62 Q CB 0.018 28.629 28.738 -0.211 0.000 0.900 62 Q HN 0.555 nan 8.270 nan 0.000 0.436 63 E N 0.839 120.883 120.200 -0.259 0.000 2.072 63 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 63 E C 1.671 178.119 176.600 -0.252 0.000 0.985 63 E CA 0.630 56.914 56.400 -0.193 0.000 0.801 63 E CB -0.012 29.622 29.700 -0.109 0.000 0.750 63 E HN 0.265 nan 8.360 nan 0.000 0.452 64 E N -0.119 119.821 120.200 -0.435 0.000 2.472 64 E HA -0.078 4.272 4.350 -0.000 0.000 0.200 64 E C 1.270 177.682 176.600 -0.313 0.000 1.046 64 E CA 0.772 56.910 56.400 -0.437 0.000 0.871 64 E CB 0.275 29.513 29.700 -0.770 0.000 0.806 64 E HN 0.483 nan 8.360 nan 0.000 0.533 65 G N 0.245 108.877 108.800 -0.280 0.000 2.176 65 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.253 65 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.253 65 G C 1.196 175.975 174.900 -0.202 0.000 0.979 65 G CA 0.514 45.495 45.100 -0.199 0.000 0.641 65 G HN 0.253 nan 8.290 nan 0.000 0.530 66 V N 0.944 120.687 119.914 -0.285 0.000 2.239 66 V HA 0.142 4.262 4.120 -0.000 0.000 0.242 66 V C 1.786 177.733 176.094 -0.244 0.000 1.038 66 V CA 1.334 63.482 62.300 -0.253 0.000 1.002 66 V CB -0.264 31.355 31.823 -0.339 0.000 0.641 66 V HN 0.361 nan 8.190 nan 0.000 0.449 67 I N 2.264 122.620 120.570 -0.357 0.000 2.379 67 I HA 0.230 4.400 4.170 -0.000 0.000 0.290 67 I C 0.556 176.552 176.117 -0.201 0.000 1.063 67 I CA 0.776 61.876 61.300 -0.334 0.000 1.351 67 I CB 0.353 37.983 38.000 -0.617 0.000 1.410 67 I HN 0.480 nan 8.210 nan 0.000 0.505 68 T N 2.852 117.343 114.554 -0.106 0.000 2.841 68 T HA 0.614 4.964 4.350 -0.000 0.000 0.276 68 T C 0.967 175.660 174.700 -0.012 0.000 1.003 68 T CA -0.203 61.861 62.100 -0.060 0.000 0.995 68 T CB 1.761 70.601 68.868 -0.047 0.000 1.260 68 T HN 0.475 nan 8.240 nan 0.000 0.581 69 A N -0.242 122.579 122.820 0.000 0.000 2.209 69 A HA 0.145 4.465 4.320 -0.000 0.000 0.212 69 A C 2.100 179.701 177.584 0.028 0.000 1.158 69 A CA 0.980 53.031 52.037 0.024 0.000 0.742 69 A CB -0.771 18.239 19.000 0.017 0.000 0.790 69 A HN 0.835 nan 8.150 nan 0.000 0.472 70 K N -0.265 120.146 120.400 0.018 0.000 2.314 70 K HA 0.005 4.325 4.320 -0.000 0.000 0.198 70 K C -0.223 176.399 176.600 0.036 0.000 1.045 70 K CA 0.444 56.744 56.287 0.021 0.000 0.988 70 K CB 0.026 32.531 32.500 0.009 0.000 0.783 70 K HN 0.315 nan 8.250 nan 0.000 0.484 71 T N 4.808 119.388 114.554 0.044 0.000 2.736 71 T HA 0.025 4.375 4.350 -0.000 0.000 0.275 71 T C -1.827 172.934 174.700 0.100 0.000 0.962 71 T CA -0.967 61.176 62.100 0.072 0.000 1.214 71 T CB 1.154 70.072 68.868 0.083 0.000 0.904 71 T HN 0.256 nan 8.240 nan 0.000 0.529 72 P HA 0.108 nan 4.420 nan 0.000 0.242 72 P C 0.283 177.640 177.300 0.094 0.000 1.197 72 P CA 0.307 63.454 63.100 0.079 0.000 0.765 72 P CB 0.408 32.144 31.700 0.060 0.000 0.936 73 V N -0.024 119.975 119.914 0.143 0.000 3.126 73 V HA 0.619 4.739 4.120 -0.000 0.000 0.314 73 V C -0.919 175.310 176.094 0.225 0.000 1.138 73 V CA -0.975 61.416 62.300 0.151 0.000 1.034 73 V CB 2.873 34.789 31.823 0.156 0.000 1.075 73 V HN 0.103 nan 8.190 nan 0.000 0.442 74 K N 2.860 123.306 120.400 0.078 0.000 2.536 74 K HA 0.871 5.191 4.320 -0.000 0.000 0.269 74 K C -1.082 175.288 176.600 -0.384 0.000 0.965 74 K CA -0.549 55.625 56.287 -0.187 0.000 0.860 74 K CB 2.054 34.422 32.500 -0.221 0.000 1.423 74 K HN 0.947 nan 8.250 nan 0.000 0.438 75 A N 1.369 123.647 122.820 -0.903 0.000 2.363 75 A HA 0.540 4.860 4.320 -0.000 0.000 0.270 75 A C -0.645 176.751 177.584 -0.313 0.000 1.121 75 A CA -0.283 51.461 52.037 -0.489 0.000 0.800 75 A CB 0.470 19.178 19.000 -0.485 0.000 1.052 75 A HN 0.607 nan 8.150 nan 0.000 0.493 76 S N 0.063 115.664 115.700 -0.165 0.000 2.588 76 S HA 0.522 4.992 4.470 -0.000 0.000 0.275 76 S C -0.763 173.793 174.600 -0.072 0.000 1.130 76 S CA -0.502 57.627 58.200 -0.118 0.000 0.855 76 S CB 1.805 64.944 63.200 -0.102 0.000 1.116 76 S HN 0.641 nan 8.310 nan 0.000 0.472 77 V N 3.251 123.132 119.914 -0.055 0.000 2.406 77 V HA 0.542 4.662 4.120 -0.000 0.000 0.272 77 V C 0.254 176.332 176.094 -0.026 0.000 1.043 77 V CA -0.278 62.003 62.300 -0.032 0.000 0.915 77 V CB 0.556 32.365 31.823 -0.024 0.000 0.988 77 V HN 0.687 nan 8.190 nan 0.000 0.466 78 V N 2.021 121.925 119.914 -0.018 0.000 3.155 78 V HA 0.597 4.717 4.120 -0.000 0.000 0.313 78 V C 1.298 177.394 176.094 0.004 0.000 1.162 78 V CA 0.178 62.472 62.300 -0.010 0.000 1.048 78 V CB 1.511 33.324 31.823 -0.018 0.000 1.092 78 V HN 0.766 nan 8.190 nan 0.000 0.447 79 T N -1.541 113.020 114.554 0.012 0.000 2.720 79 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 79 T C 1.284 175.993 174.700 0.015 0.000 1.037 79 T CA 2.255 64.363 62.100 0.013 0.000 1.144 79 T CB -0.661 68.215 68.868 0.013 0.000 0.864 79 T HN 0.822 nan 8.240 nan 0.000 0.444 80 E N 1.254 121.465 120.200 0.018 0.000 2.401 80 E HA 0.342 4.692 4.350 -0.000 0.000 0.199 80 E C 1.465 178.082 176.600 0.027 0.000 1.023 80 E CA 0.757 57.165 56.400 0.014 0.000 0.859 80 E CB -0.421 29.288 29.700 0.016 0.000 0.780 80 E HN 0.829 nan 8.360 nan 0.000 0.523 81 G N -0.673 108.140 108.800 0.022 0.000 2.145 81 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.203 81 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.203 81 G C -0.876 174.030 174.900 0.011 0.000 1.096 81 G CA -0.511 44.603 45.100 0.023 0.000 1.282 81 G HN 0.066 nan 8.290 nan 0.000 0.474 82 L N 1.432 122.663 121.223 0.014 0.000 2.334 82 L HA 0.782 5.122 4.340 -0.000 0.000 0.270 82 L C 0.819 177.694 176.870 0.007 0.000 1.018 82 L CA -0.076 54.766 54.840 0.003 0.000 0.811 82 L CB 1.784 43.846 42.059 0.005 0.000 1.271 82 L HN 1.235 nan 8.230 nan 0.000 0.443 83 G N 1.195 109.987 108.800 -0.013 0.000 2.600 83 G HA2 0.526 4.486 3.960 -0.000 0.000 0.293 83 G HA3 0.526 4.486 3.960 -0.000 0.000 0.293 83 G C -1.878 173.001 174.900 -0.035 0.000 1.408 83 G CA -0.736 44.349 45.100 -0.027 0.000 0.782 83 G HN 0.348 nan 8.290 nan 0.000 0.482 84 L N 0.728 121.922 121.223 -0.048 0.000 2.287 84 L HA 0.603 4.943 4.340 -0.000 0.000 0.287 84 L C -0.476 176.347 176.870 -0.079 0.000 1.022 84 L CA -0.984 53.844 54.840 -0.020 0.000 0.814 84 L CB 1.681 43.779 42.059 0.064 0.000 1.217 84 L HN 0.169 nan 8.230 nan 0.000 0.420 85 V N 2.809 122.682 119.914 -0.068 0.000 2.417 85 V HA 0.476 4.596 4.120 -0.000 0.000 0.291 85 V C 0.563 176.639 176.094 -0.029 0.000 1.024 85 V CA -0.761 61.498 62.300 -0.067 0.000 0.861 85 V CB 1.728 33.506 31.823 -0.076 0.000 0.985 85 V HN 0.878 nan 8.190 nan 0.000 0.436 86 A N 4.953 127.763 122.820 -0.016 0.000 2.546 86 A HA 0.326 4.646 4.320 -0.000 0.000 0.243 86 A C 0.907 178.497 177.584 0.010 0.000 1.063 86 A CA 0.173 52.216 52.037 0.010 0.000 0.757 86 A CB 0.038 19.045 19.000 0.012 0.000 0.991 86 A HN 0.924 nan 8.150 nan 0.000 0.503 87 L N 1.158 122.396 121.223 0.025 0.000 2.446 87 L HA 0.137 4.477 4.340 -0.000 0.000 0.219 87 L C 0.988 177.871 176.870 0.022 0.000 1.116 87 L CA 0.854 55.708 54.840 0.023 0.000 0.844 87 L CB -0.428 41.656 42.059 0.042 0.000 0.970 87 L HN 0.907 nan 8.230 nan 0.000 0.457 88 K N -1.895 118.520 120.400 0.024 0.000 2.579 88 K HA 0.334 4.654 4.320 -0.000 0.000 0.284 88 K C -1.543 175.070 176.600 0.021 0.000 0.990 88 K CA -0.983 55.317 56.287 0.021 0.000 0.880 88 K CB 0.919 33.433 32.500 0.024 0.000 1.488 88 K HN -0.315 nan 8.250 nan 0.000 0.425 89 D N 1.370 121.781 120.400 0.019 0.000 2.520 89 D HA 0.079 4.719 4.640 -0.000 0.000 0.243 89 D C -0.470 175.844 176.300 0.023 0.000 1.160 89 D CA 0.524 54.536 54.000 0.019 0.000 0.877 89 D CB 0.229 41.039 40.800 0.017 0.000 1.150 89 D HN 0.318 nan 8.370 nan 0.000 0.494 90 I N 2.018 122.604 120.570 0.026 0.000 2.330 90 I HA 0.119 4.289 4.170 -0.000 0.000 0.289 90 I C 0.642 176.776 176.117 0.029 0.000 1.001 90 I CA -0.623 60.695 61.300 0.031 0.000 1.193 90 I CB 1.450 39.471 38.000 0.037 0.000 1.345 90 I HN 0.281 nan 8.210 nan 0.000 0.461 91 S N 5.919 121.635 115.700 0.026 0.000 2.608 91 S HA 0.239 4.709 4.470 -0.000 0.000 0.261 91 S C 0.319 174.936 174.600 0.027 0.000 1.314 91 S CA -0.522 57.692 58.200 0.024 0.000 0.992 91 S CB 0.744 63.956 63.200 0.019 0.000 0.935 91 S HN 0.646 nan 8.310 nan 0.000 0.564 92 R N 1.845 122.360 120.500 0.025 0.000 2.449 92 R HA 0.091 4.431 4.340 -0.000 0.000 0.296 92 R C 0.210 176.525 176.300 0.025 0.000 1.047 92 R CA 0.503 56.620 56.100 0.028 0.000 1.018 92 R CB -0.219 30.095 30.300 0.023 0.000 0.962 92 R HN 0.846 nan 8.270 nan 0.000 0.428 93 N N 1.393 120.111 118.700 0.030 0.000 2.994 93 N HA -0.177 4.563 4.740 -0.000 0.000 0.221 93 N C -1.198 174.328 175.510 0.026 0.000 0.900 93 N CA 1.292 54.357 53.050 0.025 0.000 1.008 93 N CB -0.921 37.575 38.487 0.015 0.000 1.053 93 N HN 0.684 nan 8.380 nan 0.000 0.580 94 D N 1.032 121.450 120.400 0.030 0.000 2.455 94 D HA 0.164 4.804 4.640 -0.000 0.000 0.241 94 D C 0.469 176.792 176.300 0.038 0.000 1.138 94 D CA 0.090 54.108 54.000 0.030 0.000 0.877 94 D CB 0.904 41.724 40.800 0.032 0.000 1.187 94 D HN -0.093 nan 8.370 nan 0.000 0.451 95 V N 3.970 123.904 119.914 0.034 0.000 2.572 95 V HA 0.020 4.140 4.120 -0.000 0.000 0.291 95 V C 1.564 177.690 176.094 0.054 0.000 1.039 95 V CA 0.134 62.459 62.300 0.040 0.000 1.055 95 V CB 0.787 32.628 31.823 0.030 0.000 0.969 95 V HN 0.452 nan 8.190 nan 0.000 0.482 96 I N 5.098 125.711 120.570 0.071 0.000 2.731 96 I HA 0.160 4.330 4.170 -0.000 0.000 0.260 96 I C 0.140 176.312 176.117 0.093 0.000 1.138 96 I CA 0.811 62.163 61.300 0.086 0.000 1.461 96 I CB 0.079 38.142 38.000 0.106 0.000 1.128 96 I HN 0.568 nan 8.210 nan 0.000 0.438 97 L N -1.991 119.288 121.223 0.094 0.000 2.794 97 L HA 0.565 4.905 4.340 -0.000 0.000 0.261 97 L C -1.585 175.344 176.870 0.098 0.000 0.989 97 L CA -0.766 54.126 54.840 0.087 0.000 0.900 97 L CB 1.508 43.629 42.059 0.104 0.000 1.473 97 L HN -0.093 nan 8.230 nan 0.000 0.414 98 Q N 0.724 120.577 119.800 0.089 0.000 2.331 98 Q HA 0.848 5.188 4.340 -0.000 0.000 0.272 98 Q C -1.567 174.525 176.000 0.152 0.000 1.062 98 Q CA -1.053 54.829 55.803 0.132 0.000 0.806 98 Q CB 3.463 32.256 28.738 0.091 0.000 1.312 98 Q HN 0.562 nan 8.270 nan 0.000 0.431 99 V N 2.776 122.861 119.914 0.286 0.000 2.540 99 V HA 0.465 4.585 4.120 -0.000 0.000 0.302 99 V C -2.256 174.118 176.094 0.468 0.000 1.035 99 V CA -1.996 60.502 62.300 0.329 0.000 0.873 99 V CB 1.797 33.821 31.823 0.334 0.000 0.992 99 V HN 0.660 nan 8.190 nan 0.000 0.428 100 P HA 0.131 nan 4.420 nan 0.000 0.275 100 P C 0.309 177.331 177.300 -0.463 0.000 1.227 100 P CA -0.305 62.778 63.100 -0.029 0.000 0.781 100 P CB 1.301 32.987 31.700 -0.024 0.000 0.906 101 K N 3.237 123.077 120.400 -0.934 0.000 2.286 101 K HA -0.195 4.125 4.320 -0.000 0.000 0.203 101 K C 2.092 178.281 176.600 -0.685 0.000 1.045 101 K CA 1.026 56.305 56.287 -1.680 0.000 0.935 101 K CB -0.166 31.750 32.500 -0.972 0.000 0.737 101 K HN 0.274 nan 8.250 nan 0.000 0.460 102 R N 0.702 121.053 120.500 -0.249 0.000 2.139 102 R HA -0.148 4.192 4.340 -0.000 0.000 0.243 102 R C 1.257 177.659 176.300 0.171 0.000 1.145 102 R CA 1.500 57.590 56.100 -0.016 0.000 0.976 102 R CB -0.146 30.146 30.300 -0.013 0.000 0.866 102 R HN 0.290 nan 8.270 nan 0.000 0.449 103 L N -0.494 120.898 121.223 0.281 0.000 2.667 103 L HA 0.228 4.568 4.340 -0.000 0.000 0.232 103 L C 0.661 178.113 176.870 0.971 0.000 1.138 103 L CA -0.562 54.730 54.840 0.753 0.000 0.921 103 L CB -0.029 42.369 42.059 0.564 0.000 1.180 103 L HN 0.155 nan 8.230 nan 0.000 0.487 104 W N 0.559 122.002 121.300 0.238 0.000 1.924 104 W HA 0.324 4.984 4.660 -0.000 0.000 0.363 104 W C 0.125 176.535 176.519 -0.181 0.000 1.435 104 W CA -0.717 56.620 57.345 -0.013 0.000 1.497 104 W CB 0.873 30.337 29.460 0.005 0.000 1.263 104 W HN -0.179 nan 8.180 nan 0.000 0.667 105 I N 2.912 123.471 120.570 -0.019 0.000 2.642 105 I HA 0.023 4.193 4.170 -0.000 0.000 0.273 105 I C -0.651 175.395 176.117 -0.118 0.000 1.208 105 I CA -0.502 60.668 61.300 -0.218 0.000 1.037 105 I CB 0.191 37.932 38.000 -0.431 0.000 1.253 105 I HN 0.389 nan 8.210 nan 0.000 0.504 106 N N 4.359 123.021 118.700 -0.062 0.000 2.831 106 N HA 0.568 5.308 4.740 -0.000 0.000 0.276 106 N C -2.679 172.793 175.510 -0.063 0.000 1.416 106 N CA -1.911 51.126 53.050 -0.021 0.000 0.799 106 N CB 0.994 39.533 38.487 0.085 0.000 1.554 106 N HN -0.162 nan 8.380 nan 0.000 0.541 107 P HA -0.185 nan 4.420 nan 0.000 0.220 107 P C 0.436 177.714 177.300 -0.038 0.000 1.155 107 P CA 1.798 64.887 63.100 -0.018 0.000 0.880 107 P CB 0.144 31.859 31.700 0.025 0.000 0.790 108 D N -1.124 119.271 120.400 -0.008 0.000 2.117 108 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 108 D C 2.014 178.288 176.300 -0.043 0.000 0.987 108 D CA 1.539 55.536 54.000 -0.004 0.000 0.829 108 D CB -0.811 40.006 40.800 0.028 0.000 0.961 108 D HN 0.085 nan 8.370 nan 0.000 0.460 109 A N 1.210 123.975 122.820 -0.091 0.000 1.892 109 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 109 A C 2.537 179.915 177.584 -0.344 0.000 1.188 109 A CA 2.544 54.476 52.037 -0.175 0.000 0.631 109 A CB -0.997 17.851 19.000 -0.253 0.000 0.822 109 A HN 0.262 nan 8.150 nan 0.000 0.447 110 V N -2.615 117.002 119.914 -0.496 0.000 2.548 110 V HA 0.034 4.154 4.120 -0.000 0.000 0.249 110 V C 2.480 178.570 176.094 -0.007 0.000 1.055 110 V CA 1.745 63.858 62.300 -0.311 0.000 1.065 110 V CB -1.372 30.358 31.823 -0.155 0.000 0.681 110 V HN 0.569 nan 8.190 nan 0.000 0.462 111 A N 1.069 123.878 122.820 -0.020 0.000 1.908 111 A HA 0.079 4.399 4.320 -0.000 0.000 0.218 111 A C 2.259 179.875 177.584 0.053 0.000 1.181 111 A CA 2.132 54.186 52.037 0.028 0.000 0.627 111 A CB -1.047 17.964 19.000 0.018 0.000 0.818 111 A HN 1.220 nan 8.150 nan 0.000 0.445 112 A N -0.128 122.724 122.820 0.054 0.000 2.359 112 A HA 0.466 4.786 4.320 -0.000 0.000 0.240 112 A C 1.029 178.686 177.584 0.122 0.000 1.306 112 A CA 0.664 52.749 52.037 0.079 0.000 0.898 112 A CB -0.800 18.245 19.000 0.076 0.000 0.956 112 A HN 0.776 nan 8.150 nan 0.000 0.497 113 S N -1.845 113.951 115.700 0.159 0.000 2.726 113 S HA 0.436 4.906 4.470 -0.000 0.000 0.308 113 S C 0.529 175.215 174.600 0.143 0.000 1.115 113 S CA -0.313 58.016 58.200 0.215 0.000 0.965 113 S CB 0.845 64.312 63.200 0.445 0.000 1.145 113 S HN 0.298 nan 8.310 nan 0.000 0.532 114 E N 0.354 120.617 120.200 0.105 0.000 2.171 114 E HA -0.155 4.195 4.350 -0.000 0.000 0.197 114 E C 1.448 178.073 176.600 0.041 0.000 0.997 114 E CA 1.745 58.170 56.400 0.042 0.000 0.810 114 E CB -0.638 29.054 29.700 -0.014 0.000 0.738 114 E HN 0.754 nan 8.360 nan 0.000 0.467 115 I N -2.930 117.687 120.570 0.078 0.000 3.812 115 I HA 0.264 4.434 4.170 -0.000 0.000 0.320 115 I C 1.808 178.019 176.117 0.155 0.000 1.276 115 I CA 0.147 61.515 61.300 0.113 0.000 1.164 115 I CB 0.031 38.126 38.000 0.158 0.000 1.009 115 I HN -0.095 nan 8.210 nan 0.000 0.431 116 G N 2.979 111.858 108.800 0.131 0.000 2.450 116 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.220 116 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.220 116 G C 1.882 176.832 174.900 0.082 0.000 1.130 116 G CA 0.826 45.989 45.100 0.106 0.000 0.760 116 G HN 0.514 nan 8.290 nan 0.000 0.557 117 R N 0.887 121.432 120.500 0.075 0.000 2.100 117 R HA 0.025 4.365 4.340 -0.000 0.000 0.220 117 R C 2.482 178.822 176.300 0.067 0.000 1.091 117 R CA 1.542 57.679 56.100 0.061 0.000 0.986 117 R CB -1.537 28.794 30.300 0.051 0.000 0.888 117 R HN 0.537 nan 8.270 nan 0.000 0.444 118 V N -0.892 119.077 119.914 0.092 0.000 2.759 118 V HA -0.069 4.051 4.120 -0.000 0.000 0.256 118 V C 1.752 177.899 176.094 0.088 0.000 1.080 118 V CA 1.009 63.370 62.300 0.103 0.000 1.101 118 V CB -0.846 31.079 31.823 0.169 0.000 0.698 118 V HN 0.300 nan 8.190 nan 0.000 0.477 119 C N 1.511 120.867 119.300 0.093 0.000 2.855 119 C HA 0.262 4.722 4.460 -0.000 0.000 0.279 119 C C 2.839 177.850 174.990 0.035 0.000 1.270 119 C CA 0.297 59.354 59.018 0.064 0.000 1.702 119 C CB -1.287 26.511 27.740 0.097 0.000 1.949 119 C HN 0.784 nan 8.230 nan 0.000 0.618 120 S N 1.569 117.291 115.700 0.037 0.000 2.440 120 S HA -0.194 4.276 4.470 -0.000 0.000 0.240 120 S C 0.959 175.566 174.600 0.012 0.000 1.014 120 S CA 1.542 59.758 58.200 0.026 0.000 0.980 120 S CB -0.373 62.844 63.200 0.028 0.000 0.775 120 S HN 0.798 nan 8.310 nan 0.000 0.499 121 E N 0.003 120.205 120.200 0.003 0.000 2.660 121 E HA 0.403 4.753 4.350 -0.000 0.000 0.216 121 E C -0.350 176.232 176.600 -0.030 0.000 0.986 121 E CA -0.272 56.123 56.400 -0.008 0.000 1.037 121 E CB 0.507 30.203 29.700 -0.006 0.000 1.041 121 E HN 0.448 nan 8.360 nan 0.000 0.480 122 L N 1.356 122.553 121.223 -0.043 0.000 2.421 122 L HA 0.305 4.645 4.340 -0.000 0.000 0.263 122 L C 0.443 177.249 176.870 -0.107 0.000 1.122 122 L CA -0.634 54.148 54.840 -0.096 0.000 0.804 122 L CB 0.860 42.852 42.059 -0.112 0.000 1.150 122 L HN -0.096 nan 8.230 nan 0.000 0.457 123 K N 2.828 123.116 120.400 -0.187 0.000 2.401 123 K HA 0.042 4.362 4.320 -0.000 0.000 0.278 123 K C -1.380 175.125 176.600 -0.160 0.000 1.018 123 K CA -1.195 54.994 56.287 -0.163 0.000 0.981 123 K CB 0.725 33.073 32.500 -0.253 0.000 0.933 123 K HN 0.342 nan 8.250 nan 0.000 0.477 124 P HA -0.251 nan 4.420 nan 0.000 0.219 124 P C 1.144 178.494 177.300 0.082 0.000 1.161 124 P CA 1.905 65.037 63.100 0.054 0.000 0.909 124 P CB -0.278 31.490 31.700 0.114 0.000 0.793 125 W N 0.327 121.645 121.300 0.029 0.000 2.425 125 W HA -0.018 4.642 4.660 -0.000 0.000 0.277 125 W C 1.817 178.368 176.519 0.054 0.000 1.231 125 W CA 0.234 57.604 57.345 0.041 0.000 1.248 125 W CB -1.774 27.718 29.460 0.054 0.000 1.117 125 W HN -0.113 nan 8.180 nan 0.000 0.568 126 L N 1.475 122.277 121.223 -0.702 0.000 2.217 126 L HA -0.145 4.195 4.340 -0.000 0.000 0.211 126 L C 2.780 179.527 176.870 -0.205 0.000 1.107 126 L CA 1.377 55.821 54.840 -0.660 0.000 0.783 126 L CB -0.578 40.966 42.059 -0.859 0.000 0.919 126 L HN -0.115 nan 8.230 nan 0.000 0.442 127 S N -0.491 115.142 115.700 -0.111 0.000 2.345 127 S HA -0.130 4.340 4.470 -0.000 0.000 0.219 127 S C 1.975 176.654 174.600 0.133 0.000 1.031 127 S CA 1.115 59.332 58.200 0.028 0.000 0.984 127 S CB -0.203 63.011 63.200 0.023 0.000 0.874 127 S HN 0.163 nan 8.310 nan 0.000 0.451 128 V N 2.288 122.274 119.914 0.119 0.000 2.594 128 V HA -0.146 3.974 4.120 -0.000 0.000 0.253 128 V C 1.950 178.196 176.094 0.254 0.000 1.069 128 V CA 1.261 63.669 62.300 0.180 0.000 1.082 128 V CB -0.854 31.043 31.823 0.124 0.000 0.680 128 V HN 0.441 nan 8.190 nan 0.000 0.469 129 I N -0.642 120.060 120.570 0.221 0.000 2.286 129 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 129 I C 2.307 178.596 176.117 0.286 0.000 1.104 129 I CA 1.473 62.930 61.300 0.261 0.000 1.397 129 I CB -0.228 37.928 38.000 0.259 0.000 1.072 129 I HN 0.262 nan 8.210 nan 0.000 0.417 130 L N -0.346 121.037 121.223 0.266 0.000 2.017 130 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 130 L C 2.606 179.691 176.870 0.358 0.000 1.073 130 L CA 1.402 56.420 54.840 0.296 0.000 0.745 130 L CB -0.666 41.561 42.059 0.280 0.000 0.894 130 L HN 0.155 nan 8.230 nan 0.000 0.432 131 F N 0.822 120.907 119.950 0.224 0.000 2.065 131 F HA -0.300 4.227 4.527 -0.000 0.000 0.298 131 F C 2.285 178.225 175.800 0.233 0.000 1.112 131 F CA 1.746 59.873 58.000 0.212 0.000 1.212 131 F CB -0.253 38.848 39.000 0.168 0.000 0.975 131 F HN -0.116 nan 8.300 nan 0.000 0.476 132 L N -0.226 121.229 121.223 0.386 0.000 2.046 132 L HA -0.259 4.081 4.340 -0.000 0.000 0.208 132 L C 2.454 179.460 176.870 0.226 0.000 1.077 132 L CA 1.501 56.559 54.840 0.364 0.000 0.747 132 L CB -0.719 41.567 42.059 0.378 0.000 0.896 132 L HN 0.197 nan 8.230 nan 0.000 0.432 133 I N -0.678 120.021 120.570 0.216 0.000 2.286 133 I HA -0.289 3.881 4.170 -0.000 0.000 0.248 133 I C 2.807 178.898 176.117 -0.044 0.000 1.115 133 I CA 1.098 62.439 61.300 0.069 0.000 1.392 133 I CB -0.366 37.653 38.000 0.033 0.000 1.065 133 I HN 0.253 nan 8.210 nan 0.000 0.418 134 R N 1.195 121.707 120.500 0.019 0.000 2.075 134 R HA -0.168 4.172 4.340 -0.000 0.000 0.230 134 R C 2.310 178.536 176.300 -0.123 0.000 1.140 134 R CA 1.517 57.590 56.100 -0.045 0.000 0.928 134 R CB -0.075 30.188 30.300 -0.061 0.000 0.834 134 R HN 0.173 nan 8.270 nan 0.000 0.429 135 E N 0.445 120.558 120.200 -0.145 0.000 2.171 135 E HA -0.249 4.101 4.350 -0.000 0.000 0.197 135 E C 1.909 178.530 176.600 0.034 0.000 0.997 135 E CA 0.936 57.356 56.400 0.033 0.000 0.810 135 E CB -0.293 29.581 29.700 0.290 0.000 0.738 135 E HN 0.351 nan 8.360 nan 0.000 0.467 136 R N 0.473 120.743 120.500 -0.383 0.000 2.241 136 R HA -0.047 4.293 4.340 -0.000 0.000 0.224 136 R C 1.722 177.811 176.300 -0.351 0.000 1.101 136 R CA 1.167 56.807 56.100 -0.767 0.000 0.995 136 R CB 0.188 29.905 30.300 -0.970 0.000 0.870 136 R HN 0.006 nan 8.270 nan 0.000 0.463 137 S N -0.343 115.227 115.700 -0.217 0.000 2.475 137 S HA 0.146 4.616 4.470 -0.000 0.000 0.224 137 S C 0.411 174.956 174.600 -0.091 0.000 1.042 137 S CA -0.116 57.993 58.200 -0.151 0.000 0.935 137 S CB 0.259 63.381 63.200 -0.131 0.000 0.801 137 S HN 0.242 nan 8.310 nan 0.000 0.509 138 R N 2.678 123.138 120.500 -0.067 0.000 2.402 138 R HA 0.079 4.419 4.340 -0.000 0.000 0.331 138 R C -0.377 175.907 176.300 -0.025 0.000 1.040 138 R CA 0.242 56.315 56.100 -0.044 0.000 0.980 138 R CB 0.011 30.289 30.300 -0.037 0.000 0.967 138 R HN 0.411 nan 8.270 nan 0.000 0.440 139 E N 3.253 123.430 120.200 -0.037 0.000 2.773 139 E HA -0.058 4.292 4.350 -0.000 0.000 0.302 139 E C -0.176 176.396 176.600 -0.047 0.000 1.574 139 E CA 0.200 56.577 56.400 -0.037 0.000 1.775 139 E CB -0.014 29.665 29.700 -0.035 0.000 1.413 139 E HN 0.595 nan 8.360 nan 0.000 0.471 140 D N -1.696 118.673 120.400 -0.052 0.000 3.014 140 D HA -0.067 4.573 4.640 -0.000 0.000 0.302 140 D C -0.015 176.236 176.300 -0.082 0.000 1.598 140 D CA -0.206 53.752 54.000 -0.070 0.000 0.887 140 D CB -0.576 40.193 40.800 -0.051 0.000 1.580 140 D HN -0.014 nan 8.370 nan 0.000 0.424 141 S N 0.105 115.767 115.700 -0.062 0.000 2.592 141 S HA 0.309 4.779 4.470 -0.000 0.000 0.271 141 S C 1.598 176.051 174.600 -0.246 0.000 1.326 141 S CA -0.294 57.875 58.200 -0.052 0.000 1.024 141 S CB 1.567 64.868 63.200 0.169 0.000 0.921 141 S HN 0.057 nan 8.310 nan 0.000 0.527 142 V N 2.722 122.353 119.914 -0.473 0.000 2.759 142 V HA -0.091 4.029 4.120 -0.000 0.000 0.256 142 V C 0.695 176.254 176.094 -0.892 0.000 1.080 142 V CA 1.254 63.120 62.300 -0.724 0.000 1.101 142 V CB -0.817 30.404 31.823 -1.004 0.000 0.698 142 V HN 0.917 nan 8.190 nan 0.000 0.477 143 W N -0.386 120.791 121.300 -0.206 0.000 2.937 143 W HA 0.424 5.084 4.660 -0.000 0.000 0.435 143 W C 1.655 177.943 176.519 -0.385 0.000 0.912 143 W CA -0.820 56.279 57.345 -0.411 0.000 2.209 143 W CB -0.390 28.727 29.460 -0.572 0.000 1.144 143 W HN 0.002 nan 8.180 nan 0.000 0.762 144 K N 0.297 120.538 120.400 -0.265 0.000 2.026 144 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 144 K C 1.758 178.276 176.600 -0.138 0.000 1.048 144 K CA 1.664 57.860 56.287 -0.151 0.000 0.929 144 K CB -0.063 32.205 32.500 -0.387 0.000 0.713 144 K HN 0.205 nan 8.250 nan 0.000 0.439 145 H N -1.147 117.808 119.070 -0.191 0.000 2.363 145 H HA -0.132 4.424 4.556 -0.000 0.000 0.301 145 H C 1.944 177.399 175.328 0.212 0.000 1.074 145 H CA 1.437 57.472 56.048 -0.022 0.000 1.354 145 H CB -0.642 29.032 29.762 -0.148 0.000 1.397 145 H HN 0.325 nan 8.280 nan 0.000 0.516 146 Y N 1.147 121.536 120.300 0.148 0.000 2.165 146 Y HA -0.228 4.322 4.550 -0.000 0.000 0.286 146 Y C 2.126 178.053 175.900 0.045 0.000 1.155 146 Y CA 1.283 59.498 58.100 0.191 0.000 1.164 146 Y CB -0.948 37.624 38.460 0.187 0.000 0.978 146 Y HN 0.013 nan 8.280 nan 0.000 0.513 147 F N -0.312 119.661 119.950 0.039 0.000 2.365 147 F HA -0.057 4.470 4.527 -0.000 0.000 0.300 147 F C 2.421 178.195 175.800 -0.043 0.000 1.090 147 F CA 0.538 58.526 58.000 -0.020 0.000 1.408 147 F CB -0.447 38.624 39.000 0.118 0.000 1.060 147 F HN 0.173 nan 8.300 nan 0.000 0.534 148 G N -0.456 108.441 108.800 0.160 0.000 2.848 148 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.208 148 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.208 148 G C 1.307 176.228 174.900 0.036 0.000 1.152 148 G CA 0.259 45.426 45.100 0.111 0.000 0.789 148 G HN 0.217 nan 8.290 nan 0.000 0.531 149 I N 0.127 120.650 120.570 -0.079 0.000 3.883 149 I HA 0.260 4.430 4.170 -0.000 0.000 0.305 149 I C 1.195 177.230 176.117 -0.136 0.000 1.247 149 I CA -0.084 61.115 61.300 -0.169 0.000 1.350 149 I CB -0.607 37.123 38.000 -0.450 0.000 1.194 149 I HN 0.004 nan 8.210 nan 0.000 0.441 150 L N 3.456 124.596 121.223 -0.139 0.000 2.540 150 L HA 0.046 4.386 4.340 -0.000 0.000 0.276 150 L C -1.944 174.984 176.870 0.097 0.000 1.212 150 L CA -1.050 53.778 54.840 -0.019 0.000 0.893 150 L CB -0.602 41.536 42.059 0.133 0.000 1.138 150 L HN -0.076 nan 8.230 nan 0.000 0.491 151 P HA 0.082 nan 4.420 nan 0.000 0.275 151 P C 0.011 177.413 177.300 0.170 0.000 1.227 151 P CA -0.335 62.812 63.100 0.079 0.000 0.781 151 P CB 0.661 32.383 31.700 0.037 0.000 0.906 152 Q N 0.631 120.505 119.800 0.124 0.000 2.436 152 Q HA -0.039 4.301 4.340 -0.000 0.000 0.209 152 Q C 0.331 176.372 176.000 0.067 0.000 0.965 152 Q CA 1.073 56.976 55.803 0.167 0.000 0.910 152 Q CB 0.370 29.131 28.738 0.039 0.000 0.980 152 Q HN 0.545 nan 8.270 nan 0.000 0.491 153 E N -0.763 119.376 120.200 -0.103 0.000 2.388 153 E HA 0.177 4.527 4.350 -0.000 0.000 0.280 153 E C -1.332 175.114 176.600 -0.255 0.000 1.019 153 E CA -0.325 55.798 56.400 -0.461 0.000 0.806 153 E CB 1.732 31.200 29.700 -0.387 0.000 1.246 153 E HN 0.072 nan 8.360 nan 0.000 0.443 154 T N -1.185 113.222 114.554 -0.245 0.000 2.910 154 T HA 0.358 4.708 4.350 -0.000 0.000 0.287 154 T C 0.135 175.004 174.700 0.283 0.000 1.050 154 T CA -0.721 61.449 62.100 0.117 0.000 1.011 154 T CB 1.211 70.217 68.868 0.231 0.000 1.195 154 T HN 0.295 nan 8.240 nan 0.000 0.540 155 D N 1.050 121.642 120.400 0.320 0.000 2.324 155 D HA 0.105 4.745 4.640 -0.000 0.000 0.235 155 D C 0.793 177.426 176.300 0.555 0.000 1.095 155 D CA 0.262 54.522 54.000 0.434 0.000 0.871 155 D CB 0.023 41.038 40.800 0.357 0.000 0.906 155 D HN 0.548 nan 8.370 nan 0.000 0.522 156 S N 0.111 116.065 115.700 0.424 0.000 2.558 156 S HA -0.033 4.437 4.470 -0.000 0.000 0.288 156 S C 1.822 176.429 174.600 0.011 0.000 1.318 156 S CA 0.089 58.391 58.200 0.170 0.000 1.056 156 S CB 0.984 64.232 63.200 0.080 0.000 0.853 156 S HN 0.320 nan 8.310 nan 0.000 0.505 157 T N 2.932 117.212 114.554 -0.456 0.000 3.025 157 T HA -0.140 4.210 4.350 -0.000 0.000 0.270 157 T C 1.681 176.126 174.700 -0.426 0.000 1.126 157 T CA 1.378 62.874 62.100 -1.006 0.000 1.105 157 T CB -0.926 67.341 68.868 -1.001 0.000 0.884 157 T HN 0.809 nan 8.240 nan 0.000 0.522 158 I N -2.990 117.416 120.570 -0.273 0.000 3.176 158 I HA 0.121 4.291 4.170 -0.000 0.000 0.275 158 I C 1.398 177.393 176.117 -0.203 0.000 1.298 158 I CA 0.656 61.831 61.300 -0.210 0.000 1.445 158 I CB -0.589 37.304 38.000 -0.178 0.000 1.075 158 I HN 0.127 nan 8.210 nan 0.000 0.482 159 Y N -0.930 119.483 120.300 0.188 0.000 2.445 159 Y HA 0.263 4.813 4.550 -0.000 0.000 0.247 159 Y C 0.701 176.794 175.900 0.321 0.000 1.129 159 Y CA -1.059 57.182 58.100 0.235 0.000 1.251 159 Y CB 0.003 38.613 38.460 0.250 0.000 1.176 159 Y HN 0.068 nan 8.280 nan 0.000 0.522 160 W N 2.416 123.810 121.300 0.157 0.000 2.187 160 W HA 0.149 4.809 4.660 -0.000 0.000 0.348 160 W C 1.078 177.637 176.519 0.066 0.000 1.282 160 W CA -0.625 56.782 57.345 0.103 0.000 1.271 160 W CB 0.233 29.737 29.460 0.073 0.000 1.170 160 W HN -0.046 nan 8.180 nan 0.000 0.583 161 S N 0.543 116.391 115.700 0.246 0.000 2.655 161 S HA 0.122 4.592 4.470 -0.000 0.000 0.265 161 S C 0.979 175.660 174.600 0.136 0.000 1.240 161 S CA -0.231 58.050 58.200 0.136 0.000 0.986 161 S CB 1.304 64.542 63.200 0.064 0.000 0.985 161 S HN 0.474 nan 8.310 nan 0.000 0.562 162 E N 0.620 120.868 120.200 0.080 0.000 2.150 162 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 162 E C 1.602 178.238 176.600 0.061 0.000 0.985 162 E CA 1.688 58.127 56.400 0.065 0.000 0.814 162 E CB -0.373 29.347 29.700 0.033 0.000 0.752 162 E HN 0.782 nan 8.360 nan 0.000 0.466 163 E N 0.359 120.584 120.200 0.042 0.000 2.047 163 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 163 E C 2.028 178.650 176.600 0.037 0.000 0.987 163 E CA 1.328 57.741 56.400 0.022 0.000 0.799 163 E CB -0.232 29.469 29.700 0.001 0.000 0.752 163 E HN 0.341 nan 8.360 nan 0.000 0.449 164 E N 0.590 120.812 120.200 0.037 0.000 2.085 164 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 164 E C 1.992 178.750 176.600 0.263 0.000 0.994 164 E CA 0.894 57.300 56.400 0.010 0.000 0.801 164 E CB -0.162 29.443 29.700 -0.158 0.000 0.743 164 E HN 0.206 nan 8.360 nan 0.000 0.453 165 L N 0.511 121.942 121.223 0.348 0.000 2.191 165 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 165 L C 2.427 179.424 176.870 0.211 0.000 1.103 165 L CA 0.971 56.023 54.840 0.354 0.000 0.769 165 L CB -0.255 41.927 42.059 0.204 0.000 0.908 165 L HN 0.174 nan 8.230 nan 0.000 0.438 166 Q N -0.283 119.590 119.800 0.122 0.000 2.291 166 Q HA -0.241 4.099 4.340 -0.000 0.000 0.206 166 Q C 1.779 177.814 176.000 0.058 0.000 0.976 166 Q CA 1.072 56.896 55.803 0.035 0.000 0.875 166 Q CB 0.103 28.824 28.738 -0.029 0.000 0.927 166 Q HN 0.255 nan 8.270 nan 0.000 0.450 167 E N -0.220 120.080 120.200 0.167 0.000 2.478 167 E HA -0.027 4.322 4.350 -0.000 0.000 0.198 167 E C 0.511 177.317 176.600 0.344 0.000 1.046 167 E CA 0.489 57.050 56.400 0.268 0.000 0.870 167 E CB 0.260 30.082 29.700 0.204 0.000 0.818 167 E HN 0.286 nan 8.360 nan 0.000 0.527 168 L N 0.537 121.936 121.223 0.293 0.000 2.910 168 L HA 0.211 4.551 4.340 -0.000 0.000 0.252 168 L C 0.409 177.376 176.870 0.160 0.000 1.195 168 L CA -0.292 54.696 54.840 0.246 0.000 1.003 168 L CB 0.173 42.346 42.059 0.190 0.000 1.328 168 L HN 0.077 nan 8.230 nan 0.000 0.540 169 Q N 0.891 120.787 119.800 0.160 0.000 2.320 169 Q HA 0.016 4.356 4.340 -0.000 0.000 0.311 169 Q C 1.257 177.244 176.000 -0.022 0.000 1.083 169 Q CA 1.286 57.127 55.803 0.064 0.000 1.001 169 Q CB 0.359 29.106 28.738 0.016 0.000 1.074 169 Q HN 0.450 nan 8.270 nan 0.000 0.379 170 G N 2.715 111.429 108.800 -0.143 0.000 2.234 170 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.260 170 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.260 170 G C 0.101 174.675 174.900 -0.544 0.000 0.987 170 G CA 0.389 45.267 45.100 -0.372 0.000 0.625 170 G HN 1.092 nan 8.290 nan 0.000 0.532 171 S N -0.529 115.010 115.700 -0.267 0.000 2.632 171 S HA 0.554 5.024 4.470 -0.000 0.000 0.267 171 S C 1.127 175.752 174.600 0.041 0.000 1.276 171 S CA 0.639 58.844 58.200 0.007 0.000 0.998 171 S CB 1.879 65.223 63.200 0.239 0.000 0.953 171 S HN 0.504 nan 8.310 nan 0.000 0.547 172 Q N -0.263 119.615 119.800 0.130 0.000 2.123 172 Q HA -0.071 4.269 4.340 -0.000 0.000 0.199 172 Q C 1.848 177.804 176.000 -0.074 0.000 0.966 172 Q CA 1.051 56.840 55.803 -0.023 0.000 0.845 172 Q CB -0.299 28.296 28.738 -0.238 0.000 0.907 172 Q HN 0.799 nan 8.270 nan 0.000 0.439 173 L N 0.537 121.733 121.223 -0.045 0.000 2.127 173 L HA -0.152 4.188 4.340 -0.000 0.000 0.211 173 L C 1.945 178.746 176.870 -0.114 0.000 1.089 173 L CA 1.388 56.171 54.840 -0.095 0.000 0.757 173 L CB -0.616 41.392 42.059 -0.084 0.000 0.899 173 L HN 0.365 nan 8.230 nan 0.000 0.434 174 L N -0.348 120.832 121.223 -0.072 0.000 2.044 174 L HA -0.148 4.192 4.340 -0.000 0.000 0.205 174 L C 2.456 179.282 176.870 -0.073 0.000 1.075 174 L CA 1.774 56.569 54.840 -0.075 0.000 0.747 174 L CB -0.817 41.224 42.059 -0.031 0.000 0.903 174 L HN 0.253 nan 8.230 nan 0.000 0.435 175 K N -1.165 119.198 120.400 -0.063 0.000 2.074 175 K HA -0.170 4.150 4.320 -0.000 0.000 0.209 175 K C 1.902 178.456 176.600 -0.076 0.000 1.048 175 K CA 2.023 58.275 56.287 -0.059 0.000 0.926 175 K CB -0.548 31.921 32.500 -0.051 0.000 0.713 175 K HN 0.390 nan 8.250 nan 0.000 0.444 176 T N 0.729 115.222 114.554 -0.102 0.000 2.708 176 T HA -0.144 4.206 4.350 -0.000 0.000 0.266 176 T C 2.166 176.798 174.700 -0.113 0.000 1.037 176 T CA 2.007 64.034 62.100 -0.122 0.000 1.146 176 T CB -0.471 68.305 68.868 -0.153 0.000 0.865 176 T HN 0.531 nan 8.240 nan 0.000 0.435 177 T N 0.847 115.327 114.554 -0.123 0.000 2.746 177 T HA -0.073 4.277 4.350 -0.000 0.000 0.267 177 T C 2.055 176.714 174.700 -0.069 0.000 1.039 177 T CA 1.083 63.113 62.100 -0.117 0.000 1.142 177 T CB -0.965 67.794 68.868 -0.181 0.000 0.866 177 T HN 0.190 nan 8.240 nan 0.000 0.444 178 V N 1.577 121.454 119.914 -0.063 0.000 2.261 178 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 178 V C 3.069 179.151 176.094 -0.020 0.000 1.047 178 V CA 2.088 64.367 62.300 -0.035 0.000 1.015 178 V CB -1.230 30.573 31.823 -0.033 0.000 0.642 178 V HN 0.613 nan 8.190 nan 0.000 0.446 179 S N -0.475 115.203 115.700 -0.036 0.000 2.365 179 S HA -0.196 4.274 4.470 -0.000 0.000 0.225 179 S C 1.938 176.526 174.600 -0.021 0.000 1.039 179 S CA 2.043 60.223 58.200 -0.033 0.000 1.033 179 S CB -0.249 62.913 63.200 -0.063 0.000 0.887 179 S HN 0.328 nan 8.310 nan 0.000 0.447 180 V N 1.425 121.314 119.914 -0.042 0.000 2.379 180 V HA -0.084 4.036 4.120 -0.000 0.000 0.245 180 V C 2.451 178.540 176.094 -0.010 0.000 1.044 180 V CA 1.714 63.990 62.300 -0.039 0.000 1.036 180 V CB -0.549 31.243 31.823 -0.053 0.000 0.664 180 V HN 0.433 nan 8.190 nan 0.000 0.453 181 K N -0.141 120.285 120.400 0.043 0.000 2.097 181 K HA -0.252 4.068 4.320 -0.000 0.000 0.206 181 K C 2.210 178.918 176.600 0.180 0.000 1.049 181 K CA 1.877 58.270 56.287 0.176 0.000 0.933 181 K CB -0.113 32.459 32.500 0.120 0.000 0.717 181 K HN 0.573 nan 8.250 nan 0.000 0.442 182 E N 0.042 120.297 120.200 0.091 0.000 2.031 182 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 182 E C 1.955 178.603 176.600 0.079 0.000 0.994 182 E CA 1.118 57.566 56.400 0.080 0.000 0.800 182 E CB -0.214 29.519 29.700 0.055 0.000 0.752 182 E HN 0.266 nan 8.360 nan 0.000 0.447 183 Y N 1.029 121.293 120.300 -0.060 0.000 2.081 183 Y HA -0.281 4.269 4.550 -0.000 0.000 0.280 183 Y C 2.113 177.944 175.900 -0.116 0.000 1.163 183 Y CA 1.810 59.862 58.100 -0.079 0.000 1.135 183 Y CB -0.596 37.809 38.460 -0.092 0.000 0.970 183 Y HN -0.045 nan 8.280 nan 0.000 0.498 184 V N 1.160 120.929 119.914 -0.241 0.000 2.392 184 V HA -0.340 3.780 4.120 -0.000 0.000 0.249 184 V C 2.496 178.342 176.094 -0.415 0.000 1.059 184 V CA 2.345 64.351 62.300 -0.490 0.000 1.051 184 V CB -0.793 30.471 31.823 -0.932 0.000 0.658 184 V HN 0.403 nan 8.190 nan 0.000 0.455 185 K N 0.384 120.706 120.400 -0.130 0.000 2.026 185 K HA -0.216 4.104 4.320 -0.000 0.000 0.208 185 K C 2.033 178.530 176.600 -0.172 0.000 1.048 185 K CA 1.875 58.158 56.287 -0.007 0.000 0.929 185 K CB -0.231 32.361 32.500 0.152 0.000 0.713 185 K HN 0.461 nan 8.250 nan 0.000 0.439 186 N N 1.195 119.788 118.700 -0.177 0.000 2.120 186 N HA -0.145 4.595 4.740 -0.000 0.000 0.188 186 N C 1.657 176.982 175.510 -0.309 0.000 1.024 186 N CA 1.111 54.044 53.050 -0.194 0.000 0.852 186 N CB -0.238 38.173 38.487 -0.127 0.000 1.003 186 N HN 0.295 nan 8.380 nan 0.000 0.424 187 E N 0.558 120.472 120.200 -0.476 0.000 2.106 187 E HA -0.057 4.293 4.350 -0.000 0.000 0.192 187 E C 2.105 178.393 176.600 -0.521 0.000 0.984 187 E CA 0.406 56.492 56.400 -0.524 0.000 0.806 187 E CB -0.370 28.912 29.700 -0.697 0.000 0.750 187 E HN 0.330 nan 8.360 nan 0.000 0.458 188 C N 0.536 119.458 119.300 -0.630 0.000 2.450 188 C HA -0.002 4.458 4.460 -0.000 0.000 0.279 188 C C 2.765 177.288 174.990 -0.778 0.000 1.335 188 C CA 0.158 58.576 59.018 -0.999 0.000 1.749 188 C CB -0.978 25.857 27.740 -1.509 0.000 1.963 188 C HN 0.362 nan 8.230 nan 0.000 0.501 189 L N 0.390 121.353 121.223 -0.434 0.000 2.141 189 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 189 L C 2.586 179.350 176.870 -0.176 0.000 1.094 189 L CA 1.358 56.071 54.840 -0.213 0.000 0.763 189 L CB -0.563 41.422 42.059 -0.124 0.000 0.908 189 L HN 0.401 nan 8.230 nan 0.000 0.437 190 K N 0.157 120.426 120.400 -0.218 0.000 2.057 190 K HA -0.107 4.213 4.320 -0.000 0.000 0.206 190 K C 2.119 178.617 176.600 -0.169 0.000 1.050 190 K CA 1.001 57.186 56.287 -0.170 0.000 0.935 190 K CB -0.110 32.281 32.500 -0.182 0.000 0.715 190 K HN 0.245 nan 8.250 nan 0.000 0.439 191 L N 0.996 122.079 121.223 -0.234 0.000 2.042 191 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 191 L C 2.613 179.404 176.870 -0.132 0.000 1.076 191 L CA 1.423 56.144 54.840 -0.198 0.000 0.749 191 L CB -0.420 41.496 42.059 -0.238 0.000 0.893 191 L HN 0.329 nan 8.230 nan 0.000 0.432 192 E N -0.469 119.688 120.200 -0.071 0.000 2.051 192 E HA -0.252 4.098 4.350 -0.000 0.000 0.192 192 E C 2.279 178.850 176.600 -0.049 0.000 0.991 192 E CA 1.086 57.480 56.400 -0.011 0.000 0.799 192 E CB 0.150 29.900 29.700 0.083 0.000 0.748 192 E HN 0.400 nan 8.360 nan 0.000 0.449 193 Q N 0.269 120.037 119.800 -0.053 0.000 2.079 193 Q HA -0.147 4.193 4.340 -0.000 0.000 0.200 193 Q C 1.614 177.587 176.000 -0.045 0.000 0.974 193 Q CA 1.454 57.231 55.803 -0.043 0.000 0.840 193 Q CB 0.018 28.729 28.738 -0.045 0.000 0.898 193 Q HN 0.449 nan 8.270 nan 0.000 0.430 194 E N -1.164 118.998 120.200 -0.063 0.000 2.472 194 E HA 0.075 4.424 4.350 -0.000 0.000 0.196 194 E C 0.742 177.313 176.600 -0.049 0.000 1.033 194 E CA 0.086 56.456 56.400 -0.051 0.000 0.886 194 E CB 0.551 30.217 29.700 -0.056 0.000 0.944 194 E HN 0.183 nan 8.360 nan 0.000 0.492 195 I N -1.090 119.426 120.570 -0.090 0.000 4.420 195 I HA -0.002 4.168 4.170 -0.000 0.000 0.292 195 I C 1.563 177.559 176.117 -0.201 0.000 1.153 195 I CA 0.073 61.313 61.300 -0.101 0.000 1.315 195 I CB 0.284 38.197 38.000 -0.145 0.000 1.616 195 I HN -0.035 nan 8.210 nan 0.000 0.450 196 I N 0.641 120.990 120.570 -0.368 0.000 2.315 196 I HA -0.209 3.961 4.170 -0.000 0.000 0.248 196 I C 2.137 178.223 176.117 -0.053 0.000 1.117 196 I CA 1.591 62.639 61.300 -0.419 0.000 1.404 196 I CB -0.149 37.644 38.000 -0.345 0.000 1.071 196 I HN 0.173 nan 8.210 nan 0.000 0.419 197 L N 0.757 121.964 121.223 -0.027 0.000 2.071 197 L HA 0.002 4.342 4.340 -0.000 0.000 0.201 197 L C -0.152 176.744 176.870 0.044 0.000 1.076 197 L CA 0.744 55.595 54.840 0.019 0.000 0.755 197 L CB -2.052 40.010 42.059 0.005 0.000 0.915 197 L HN 0.121 nan 8.230 nan 0.000 0.445 198 P HA -0.168 nan 4.420 nan 0.000 0.219 198 P C 0.147 177.494 177.300 0.078 0.000 1.146 198 P CA 1.379 64.506 63.100 0.045 0.000 0.808 198 P CB -0.110 31.608 31.700 0.031 0.000 0.779 199 N N 0.585 119.365 118.700 0.134 0.000 2.546 199 N HA 0.047 4.787 4.740 -0.000 0.000 0.286 199 N C 1.220 176.855 175.510 0.208 0.000 1.259 199 N CA -0.093 53.069 53.050 0.186 0.000 0.939 199 N CB 0.225 38.889 38.487 0.296 0.000 1.243 199 N HN 0.407 nan 8.380 nan 0.000 0.511 200 K N -0.021 120.461 120.400 0.136 0.000 2.520 200 K HA -0.159 4.161 4.320 -0.000 0.000 0.198 200 K C 1.656 178.297 176.600 0.068 0.000 1.045 200 K CA 0.827 57.181 56.287 0.111 0.000 0.934 200 K CB 0.232 32.772 32.500 0.065 0.000 0.766 200 K HN 0.125 nan 8.250 nan 0.000 0.483 201 R N 0.654 121.180 120.500 0.044 0.000 2.080 201 R HA 0.004 4.344 4.340 -0.000 0.000 0.222 201 R C 1.682 177.944 176.300 -0.065 0.000 1.107 201 R CA 0.757 56.854 56.100 -0.005 0.000 0.980 201 R CB 0.002 30.298 30.300 -0.006 0.000 0.879 201 R HN 0.200 nan 8.270 nan 0.000 0.439 202 L N -0.854 120.294 121.223 -0.126 0.000 2.307 202 L HA 0.116 4.456 4.340 -0.000 0.000 0.211 202 L C 0.293 176.826 176.870 -0.561 0.000 1.099 202 L CA 0.942 55.555 54.840 -0.378 0.000 0.816 202 L CB 0.166 41.892 42.059 -0.556 0.000 0.952 202 L HN -0.020 nan 8.230 nan 0.000 0.455 203 F N -0.418 119.529 119.950 -0.005 0.000 2.389 203 F HA 0.342 4.869 4.527 -0.000 0.000 0.327 203 F C -1.609 174.177 175.800 -0.023 0.000 1.204 203 F CA -1.788 56.202 58.000 -0.017 0.000 1.209 203 F CB 0.192 39.188 39.000 -0.006 0.000 1.460 203 F HN -0.124 nan 8.300 nan 0.000 0.537 204 P HA -0.112 nan 4.420 nan 0.000 0.208 204 P C -0.103 177.217 177.300 0.034 0.000 1.200 204 P CA 1.171 64.291 63.100 0.033 0.000 0.924 204 P CB 0.156 31.851 31.700 -0.008 0.000 0.774 205 D N 0.334 120.741 120.400 0.012 0.000 2.419 205 D HA 0.050 4.690 4.640 -0.000 0.000 0.236 205 D C -2.085 174.213 176.300 -0.004 0.000 1.165 205 D CA -0.565 53.429 54.000 -0.009 0.000 0.882 205 D CB -0.808 39.969 40.800 -0.039 0.000 1.201 205 D HN 0.099 nan 8.370 nan 0.000 0.443 206 P HA 0.089 nan 4.420 nan 0.000 0.271 206 P C -0.610 176.645 177.300 -0.075 0.000 1.216 206 P CA -0.295 62.786 63.100 -0.032 0.000 0.776 206 P CB 0.726 32.409 31.700 -0.027 0.000 0.881 207 V N 2.960 122.812 119.914 -0.104 0.000 2.313 207 V HA 0.278 4.398 4.120 -0.000 0.000 0.278 207 V C 0.704 176.673 176.094 -0.207 0.000 1.017 207 V CA -0.456 61.699 62.300 -0.243 0.000 0.823 207 V CB 0.746 32.334 31.823 -0.392 0.000 1.010 207 V HN 0.676 nan 8.190 nan 0.000 0.443 208 T N 2.123 116.579 114.554 -0.163 0.000 2.874 208 T HA 0.488 4.838 4.350 -0.000 0.000 0.281 208 T C 1.273 176.015 174.700 0.069 0.000 0.994 208 T CA -0.584 61.502 62.100 -0.023 0.000 1.015 208 T CB 1.207 70.071 68.868 -0.008 0.000 1.028 208 T HN 0.278 nan 8.240 nan 0.000 0.523 209 L N 0.404 121.771 121.223 0.239 0.000 2.042 209 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 209 L C 2.339 179.487 176.870 0.464 0.000 1.076 209 L CA 1.784 56.895 54.840 0.452 0.000 0.749 209 L CB -0.697 41.541 42.059 0.299 0.000 0.893 209 L HN 0.748 nan 8.230 nan 0.000 0.432 210 D N -0.185 120.370 120.400 0.259 0.000 2.190 210 D HA -0.208 4.432 4.640 -0.000 0.000 0.200 210 D C 1.769 178.256 176.300 0.312 0.000 0.992 210 D CA 1.228 55.392 54.000 0.272 0.000 0.854 210 D CB -0.147 40.735 40.800 0.136 0.000 0.936 210 D HN 0.353 nan 8.370 nan 0.000 0.462 211 D N -0.579 119.908 120.400 0.145 0.000 2.123 211 D HA -0.091 4.549 4.640 -0.000 0.000 0.200 211 D C 1.841 178.276 176.300 0.225 0.000 0.976 211 D CA 0.568 54.606 54.000 0.064 0.000 0.831 211 D CB -0.211 40.466 40.800 -0.205 0.000 0.974 211 D HN 0.210 nan 8.370 nan 0.000 0.469 212 F N 0.452 120.565 119.950 0.272 0.000 2.113 212 F HA -0.086 4.441 4.527 -0.000 0.000 0.297 212 F C 2.209 178.120 175.800 0.185 0.000 1.103 212 F CA 0.685 58.798 58.000 0.189 0.000 1.248 212 F CB -0.831 38.227 39.000 0.097 0.000 0.999 212 F HN -0.106 nan 8.300 nan 0.000 0.475 213 F N -2.001 118.216 119.950 0.445 0.000 2.407 213 F HA -0.150 4.377 4.527 -0.000 0.000 0.299 213 F C 2.119 178.226 175.800 0.512 0.000 1.097 213 F CA 0.666 58.909 58.000 0.405 0.000 1.422 213 F CB -0.919 38.261 39.000 0.299 0.000 1.067 213 F HN 0.075 nan 8.300 nan 0.000 0.539 214 W N 0.679 122.245 121.300 0.443 0.000 2.409 214 W HA -0.026 4.634 4.660 -0.000 0.000 0.299 214 W C 2.271 178.944 176.519 0.257 0.000 1.203 214 W CA 1.827 59.374 57.345 0.337 0.000 1.298 214 W CB -0.471 29.093 29.460 0.173 0.000 1.127 214 W HN -0.080 nan 8.180 nan 0.000 0.528 215 A N 0.080 123.063 122.820 0.271 0.000 1.854 215 A HA -0.155 4.165 4.320 -0.000 0.000 0.214 215 A C 1.955 179.552 177.584 0.021 0.000 1.192 215 A CA 1.454 53.495 52.037 0.006 0.000 0.611 215 A CB -1.616 17.557 19.000 0.288 0.000 0.832 215 A HN 0.453 nan 8.150 nan 0.000 0.442 216 F N 1.529 121.486 119.950 0.012 0.000 2.120 216 F HA -0.136 4.391 4.527 -0.000 0.000 0.300 216 F C 2.231 177.972 175.800 -0.098 0.000 1.095 216 F CA 1.512 59.484 58.000 -0.046 0.000 1.249 216 F CB -0.780 38.122 39.000 -0.164 0.000 0.995 216 F HN 0.182 nan 8.300 nan 0.000 0.480 217 G N 0.803 109.536 108.800 -0.110 0.000 2.404 217 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.215 217 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.215 217 G C 1.686 176.452 174.900 -0.223 0.000 1.174 217 G CA 0.914 45.937 45.100 -0.128 0.000 0.780 217 G HN 0.338 nan 8.290 nan 0.000 0.537 218 I N 0.484 120.856 120.570 -0.329 0.000 2.226 218 I HA -0.083 4.087 4.170 -0.000 0.000 0.245 218 I C 2.660 178.614 176.117 -0.271 0.000 1.100 218 I CA 0.766 61.842 61.300 -0.375 0.000 1.374 218 I CB -0.985 36.608 38.000 -0.678 0.000 1.057 218 I HN 0.125 nan 8.210 nan 0.000 0.413 219 L N 0.964 122.029 121.223 -0.262 0.000 2.017 219 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 219 L C 2.692 179.383 176.870 -0.297 0.000 1.073 219 L CA 1.814 56.528 54.840 -0.210 0.000 0.745 219 L CB -0.652 41.345 42.059 -0.103 0.000 0.894 219 L HN 0.124 nan 8.230 nan 0.000 0.432 220 R N -1.289 118.931 120.500 -0.466 0.000 2.275 220 R HA -0.022 4.318 4.340 -0.000 0.000 0.199 220 R C 1.851 177.873 176.300 -0.465 0.000 0.989 220 R CA 0.986 56.763 56.100 -0.538 0.000 1.016 220 R CB 0.006 29.794 30.300 -0.853 0.000 0.918 220 R HN 0.591 nan 8.270 nan 0.000 0.473 221 S N -1.577 113.927 115.700 -0.326 0.000 2.512 221 S HA 0.199 4.669 4.470 -0.000 0.000 0.216 221 S C 1.585 176.154 174.600 -0.051 0.000 1.006 221 S CA -0.573 57.534 58.200 -0.155 0.000 0.915 221 S CB 0.428 63.606 63.200 -0.036 0.000 0.824 221 S HN 0.285 nan 8.310 nan 0.000 0.497 222 R N 0.666 121.058 120.500 -0.180 0.000 2.243 222 R HA 0.482 4.822 4.340 -0.000 0.000 0.193 222 R C 0.764 176.802 176.300 -0.437 0.000 0.933 222 R CA 0.510 56.462 56.100 -0.247 0.000 1.105 222 R CB -0.039 30.178 30.300 -0.138 0.000 1.169 222 R HN 0.369 nan 8.270 nan 0.000 0.599 223 A N 1.825 124.452 122.820 -0.322 0.000 2.565 223 A HA 0.106 4.426 4.320 -0.000 0.000 0.237 223 A C -0.453 176.898 177.584 -0.389 0.000 1.053 223 A CA 0.437 52.297 52.037 -0.296 0.000 0.755 223 A CB -0.205 18.688 19.000 -0.178 0.000 0.980 223 A HN 0.104 nan 8.150 nan 0.000 0.506 224 F N 1.183 120.978 119.950 -0.258 0.000 2.377 224 F HA 0.445 4.972 4.527 -0.000 0.000 0.328 224 F C 1.369 177.135 175.800 -0.057 0.000 1.094 224 F CA 0.746 58.627 58.000 -0.198 0.000 1.093 224 F CB 1.797 40.558 39.000 -0.398 0.000 1.214 224 F HN 0.574 nan 8.300 nan 0.000 0.518 225 S N -0.481 115.355 115.700 0.228 0.000 2.976 225 S HA 0.241 4.711 4.470 -0.000 0.000 0.252 225 S C 0.300 174.968 174.600 0.114 0.000 0.940 225 S CA -0.660 57.623 58.200 0.138 0.000 1.283 225 S CB -0.134 63.090 63.200 0.040 0.000 1.194 225 S HN 0.648 nan 8.310 nan 0.000 0.662 226 R N 0.963 121.552 120.500 0.149 0.000 3.179 226 R HA 0.476 4.816 4.340 -0.000 0.000 0.317 226 R C -0.930 175.268 176.300 -0.169 0.000 1.331 226 R CA -0.219 55.735 56.100 -0.242 0.000 1.184 226 R CB 0.049 29.800 30.300 -0.914 0.000 1.408 226 R HN 0.245 nan 8.270 nan 0.000 0.598 227 L N -0.127 121.152 121.223 0.093 0.000 2.331 227 L HA 0.430 4.770 4.340 -0.000 0.000 0.268 227 L C 0.085 177.011 176.870 0.094 0.000 1.015 227 L CA -0.914 54.003 54.840 0.128 0.000 0.807 227 L CB 1.260 43.449 42.059 0.217 0.000 1.293 227 L HN 0.016 nan 8.230 nan 0.000 0.451 228 R N 1.647 122.200 120.500 0.088 0.000 2.297 228 R HA 0.253 4.593 4.340 -0.000 0.000 0.308 228 R C 0.179 176.516 176.300 0.063 0.000 1.029 228 R CA 0.076 56.215 56.100 0.065 0.000 0.929 228 R CB 0.244 30.575 30.300 0.050 0.000 1.046 228 R HN 0.771 nan 8.270 nan 0.000 0.461 229 N N 1.012 119.742 118.700 0.049 0.000 2.805 229 N HA -0.187 4.553 4.740 -0.000 0.000 0.216 229 N C -1.023 174.524 175.510 0.061 0.000 0.930 229 N CA 1.811 54.887 53.050 0.043 0.000 1.376 229 N CB -0.474 38.029 38.487 0.027 0.000 0.939 229 N HN 0.665 nan 8.380 nan 0.000 0.583 230 E N 1.101 121.353 120.200 0.086 0.000 2.151 230 E HA 0.370 4.720 4.350 -0.000 0.000 0.275 230 E C 0.002 176.660 176.600 0.096 0.000 0.936 230 E CA -0.277 56.185 56.400 0.104 0.000 0.777 230 E CB 0.832 30.624 29.700 0.153 0.000 1.108 230 E HN 0.170 nan 8.360 nan 0.000 0.401 231 N N 2.288 121.034 118.700 0.076 0.000 2.299 231 N HA 0.208 4.948 4.740 -0.000 0.000 0.246 231 N C -0.641 174.897 175.510 0.046 0.000 1.254 231 N CA 0.054 53.141 53.050 0.063 0.000 0.879 231 N CB 1.014 39.528 38.487 0.045 0.000 1.214 231 N HN 0.377 nan 8.380 nan 0.000 0.510 232 L N 0.343 121.594 121.223 0.047 0.000 2.722 232 L HA 0.298 4.638 4.340 -0.000 0.000 0.244 232 L C -2.040 174.829 176.870 -0.001 0.000 1.023 232 L CA -0.257 54.594 54.840 0.019 0.000 0.988 232 L CB 0.613 42.697 42.059 0.042 0.000 1.245 232 L HN -0.314 nan 8.230 nan 0.000 0.508 233 V N 3.411 123.300 119.914 -0.041 0.000 2.638 233 V HA 0.515 4.635 4.120 -0.000 0.000 0.306 233 V C -0.275 175.699 176.094 -0.201 0.000 1.052 233 V CA -0.686 61.529 62.300 -0.142 0.000 0.885 233 V CB 2.330 33.990 31.823 -0.271 0.000 0.999 233 V HN 0.256 nan 8.190 nan 0.000 0.424 234 V N 5.086 124.857 119.914 -0.239 0.000 2.398 234 V HA 0.492 4.612 4.120 -0.000 0.000 0.286 234 V C -0.351 175.514 176.094 -0.383 0.000 1.026 234 V CA -0.400 61.755 62.300 -0.242 0.000 0.868 234 V CB 1.930 33.637 31.823 -0.194 0.000 0.982 234 V HN 0.637 nan 8.190 nan 0.000 0.443 235 V N 8.062 127.744 119.914 -0.385 0.000 2.325 235 V HA 0.267 4.387 4.120 -0.000 0.000 0.280 235 V C -1.541 174.417 176.094 -0.226 0.000 1.016 235 V CA -1.425 60.571 62.300 -0.506 0.000 0.818 235 V CB 1.511 32.647 31.823 -1.145 0.000 1.019 235 V HN 0.656 nan 8.190 nan 0.000 0.434 236 P HA -0.297 nan 4.420 nan 0.000 0.225 236 P C 1.560 179.184 177.300 0.540 0.000 1.154 236 P CA 2.053 65.173 63.100 0.032 0.000 0.933 236 P CB 0.258 32.135 31.700 0.294 0.000 0.790 237 M N -2.646 117.190 119.600 0.393 0.000 2.691 237 M HA 0.154 4.634 4.480 -0.000 0.000 0.261 237 M C 1.975 178.451 176.300 0.294 0.000 1.227 237 M CA 1.132 56.697 55.300 0.441 0.000 1.197 237 M CB -0.158 32.606 32.600 0.274 0.000 1.294 237 M HN -0.152 nan 8.290 nan 0.000 0.508 238 A N 1.587 124.494 122.820 0.145 0.000 1.903 238 A HA -0.269 4.051 4.320 -0.000 0.000 0.219 238 A C 1.476 179.237 177.584 0.294 0.000 1.191 238 A CA 2.435 54.542 52.037 0.116 0.000 0.638 238 A CB -1.322 17.527 19.000 -0.252 0.000 0.823 238 A HN 0.789 nan 8.150 nan 0.000 0.451 239 D N -0.192 120.392 120.400 0.307 0.000 2.392 239 D HA -0.036 4.604 4.640 -0.000 0.000 0.228 239 D C 1.348 177.761 176.300 0.190 0.000 1.003 239 D CA 0.360 54.514 54.000 0.258 0.000 0.917 239 D CB -0.570 40.288 40.800 0.096 0.000 0.890 239 D HN 0.500 nan 8.370 nan 0.000 0.532 240 L N -0.193 121.168 121.223 0.229 0.000 2.313 240 L HA 0.144 4.484 4.340 -0.000 0.000 0.214 240 L C 1.505 178.475 176.870 0.167 0.000 1.119 240 L CA -0.063 54.890 54.840 0.188 0.000 0.809 240 L CB -0.124 42.077 42.059 0.236 0.000 0.933 240 L HN 0.145 nan 8.230 nan 0.000 0.449 241 I N 0.443 121.135 120.570 0.205 0.000 2.872 241 I HA -0.100 4.070 4.170 -0.000 0.000 0.291 241 I C 0.244 176.501 176.117 0.233 0.000 1.216 241 I CA 0.239 61.650 61.300 0.185 0.000 1.424 241 I CB 0.383 38.531 38.000 0.247 0.000 1.351 241 I HN 0.225 nan 8.210 nan 0.000 0.592 242 N N 3.735 122.534 118.700 0.165 0.000 2.741 242 N HA 0.292 5.032 4.740 -0.000 0.000 0.310 242 N C -1.349 174.313 175.510 0.254 0.000 1.295 242 N CA -0.580 52.600 53.050 0.216 0.000 0.893 242 N CB 0.856 39.430 38.487 0.144 0.000 1.247 242 N HN 0.610 nan 8.380 nan 0.000 0.596 243 H N -1.030 117.874 119.070 -0.277 0.000 2.472 243 H HA 0.517 5.073 4.556 -0.000 0.000 0.338 243 H C -1.089 173.983 175.328 -0.426 0.000 1.133 243 H CA -0.313 55.414 56.048 -0.536 0.000 1.216 243 H CB 0.951 29.899 29.762 -1.356 0.000 1.497 243 H HN 0.312 nan 8.280 nan 0.000 0.500 244 S N 3.276 118.355 115.700 -1.034 0.000 2.677 244 S HA 0.467 4.937 4.470 -0.000 0.000 0.283 244 S C 0.587 174.684 174.600 -0.838 0.000 1.159 244 S CA -0.144 57.444 58.200 -1.021 0.000 1.001 244 S CB 0.700 63.182 63.200 -1.196 0.000 1.032 244 S HN 0.954 nan 8.310 nan 0.000 0.487 245 A N 3.629 126.090 122.820 -0.599 0.000 2.272 245 A HA 0.143 4.463 4.320 -0.000 0.000 0.213 245 A C 1.770 179.219 177.584 -0.225 0.000 1.183 245 A CA 1.507 53.368 52.037 -0.294 0.000 0.719 245 A CB -0.900 18.028 19.000 -0.121 0.000 0.771 245 A HN 1.062 nan 8.150 nan 0.000 0.484 246 G N -0.959 107.668 108.800 -0.289 0.000 2.453 246 G HA2 0.229 4.189 3.960 -0.000 0.000 0.215 246 G HA3 0.229 4.189 3.960 -0.000 0.000 0.215 246 G C 0.569 175.397 174.900 -0.121 0.000 1.147 246 G CA 0.533 45.524 45.100 -0.182 0.000 0.802 246 G HN 0.273 nan 8.290 nan 0.000 0.535 247 V N 1.926 121.756 119.914 -0.140 0.000 2.555 247 V HA 0.441 4.561 4.120 -0.000 0.000 0.286 247 V C 0.355 176.430 176.094 -0.032 0.000 1.044 247 V CA 0.577 62.846 62.300 -0.051 0.000 1.026 247 V CB 1.029 32.842 31.823 -0.016 0.000 0.981 247 V HN 0.370 nan 8.190 nan 0.000 0.480 248 T N -0.429 114.124 114.554 -0.002 0.000 3.446 248 T HA 0.394 4.744 4.350 -0.000 0.000 0.289 248 T C 0.216 174.926 174.700 0.017 0.000 1.203 248 T CA 0.159 62.264 62.100 0.010 0.000 1.645 248 T CB 0.659 69.526 68.868 -0.003 0.000 0.841 248 T HN 0.772 nan 8.240 nan 0.000 0.617 249 T N -1.197 113.375 114.554 0.030 0.000 3.265 249 T HA 0.190 4.540 4.350 -0.000 0.000 0.263 249 T C 0.720 175.432 174.700 0.020 0.000 0.862 249 T CA 0.333 62.443 62.100 0.017 0.000 0.900 249 T CB -0.431 68.444 68.868 0.012 0.000 1.260 249 T HN 0.806 nan 8.240 nan 0.000 0.547 250 E N 1.497 121.732 120.200 0.058 0.000 2.539 250 E HA -0.244 4.106 4.350 -0.000 0.000 0.253 250 E C -0.925 175.690 176.600 0.025 0.000 1.145 250 E CA 1.060 57.515 56.400 0.093 0.000 0.738 250 E CB -2.438 27.318 29.700 0.092 0.000 1.308 250 E HN 0.408 nan 8.360 nan 0.000 0.409 251 D N 0.701 121.089 120.400 -0.019 0.000 2.519 251 D HA 0.096 4.736 4.640 -0.000 0.000 0.238 251 D C -0.473 175.759 176.300 -0.114 0.000 1.192 251 D CA 0.317 54.235 54.000 -0.136 0.000 0.835 251 D CB -0.658 40.090 40.800 -0.087 0.000 0.975 251 D HN 0.484 nan 8.370 nan 0.000 0.490 252 H N -0.606 118.387 119.070 -0.129 0.000 2.814 252 H HA -0.195 4.361 4.556 -0.000 0.000 0.281 252 H C 0.806 175.995 175.328 -0.232 0.000 0.789 252 H CA -0.003 55.855 56.048 -0.318 0.000 0.895 252 H CB -0.094 29.358 29.762 -0.518 0.000 1.522 252 H HN 0.227 nan 8.280 nan 0.000 0.294 253 A N 3.620 126.481 122.820 0.068 0.000 2.258 253 A HA 0.102 4.422 4.320 -0.000 0.000 0.206 253 A C 0.221 177.878 177.584 0.121 0.000 1.222 253 A CA 0.912 53.023 52.037 0.122 0.000 0.822 253 A CB -0.481 18.651 19.000 0.220 0.000 0.804 253 A HN 0.569 nan 8.150 nan 0.000 0.483 254 Y N -2.554 117.718 120.300 -0.047 0.000 2.562 254 Y HA 0.725 5.275 4.550 -0.000 0.000 0.345 254 Y C -0.652 175.065 175.900 -0.305 0.000 1.045 254 Y CA -1.248 56.668 58.100 -0.306 0.000 1.028 254 Y CB 0.939 39.008 38.460 -0.651 0.000 1.297 254 Y HN 0.325 nan 8.280 nan 0.000 0.463 255 E N 0.236 120.288 120.200 -0.246 0.000 2.460 255 E HA 0.723 5.073 4.350 -0.000 0.000 0.277 255 E C -2.035 174.463 176.600 -0.170 0.000 1.010 255 E CA -1.350 54.953 56.400 -0.161 0.000 0.838 255 E CB 2.477 32.127 29.700 -0.083 0.000 1.448 255 E HN 0.454 nan 8.360 nan 0.000 0.462 256 V N 1.510 121.422 119.914 -0.002 0.000 2.326 256 V HA 0.330 4.450 4.120 -0.000 0.000 0.281 256 V C -0.673 175.515 176.094 0.157 0.000 1.015 256 V CA -0.637 61.744 62.300 0.136 0.000 0.823 256 V CB 0.681 32.640 31.823 0.227 0.000 1.009 256 V HN 0.630 nan 8.190 nan 0.000 0.436 257 K N 3.354 123.827 120.400 0.121 0.000 2.270 257 K HA 0.877 5.197 4.320 -0.000 0.000 0.255 257 K C 0.111 176.677 176.600 -0.056 0.000 0.936 257 K CA -0.580 55.738 56.287 0.052 0.000 0.809 257 K CB 2.345 34.843 32.500 -0.002 0.000 1.131 257 K HN 0.566 nan 8.250 nan 0.000 0.427 258 G N 0.705 109.327 108.800 -0.296 0.000 2.488 258 G HA2 0.737 4.697 3.960 -0.000 0.000 0.318 258 G HA3 0.737 4.697 3.960 -0.000 0.000 0.318 258 G C -1.132 173.482 174.900 -0.476 0.000 1.188 258 G CA -0.637 43.952 45.100 -0.851 0.000 0.944 258 G HN 0.842 nan 8.290 nan 0.000 0.495 259 A N -1.388 121.155 122.820 -0.461 0.000 2.535 259 A HA 1.000 5.320 4.320 -0.000 0.000 0.296 259 A C 0.758 178.213 177.584 -0.216 0.000 1.248 259 A CA 0.482 52.368 52.037 -0.250 0.000 0.686 259 A CB 0.504 19.417 19.000 -0.145 0.000 1.315 259 A HN 2.670 nan 8.150 nan 0.000 0.460 260 A N -1.101 121.647 122.820 -0.119 0.000 5.476 260 A HA -0.072 4.248 4.320 -0.000 0.000 0.327 260 A C 1.903 179.402 177.584 -0.142 0.000 1.778 260 A CA 2.416 54.413 52.037 -0.067 0.000 0.721 260 A CB -1.790 17.230 19.000 0.033 0.000 1.388 260 A HN 2.685 nan 8.150 nan 0.000 0.397 261 G N -1.890 106.822 108.800 -0.147 0.000 2.956 261 G HA2 0.434 4.394 3.960 -0.000 0.000 0.207 261 G HA3 0.434 4.394 3.960 -0.000 0.000 0.207 261 G C 0.614 175.054 174.900 -0.767 0.000 1.162 261 G CA 0.824 45.648 45.100 -0.460 0.000 0.796 261 G HN 1.651 nan 8.290 nan 0.000 0.527 262 L N -0.890 120.027 121.223 -0.510 0.000 3.608 262 L HA -0.144 4.196 4.340 -0.000 0.000 0.422 262 L C -0.008 176.623 176.870 -0.399 0.000 1.260 262 L CA 0.373 54.959 54.840 -0.423 0.000 0.889 262 L CB -2.924 38.973 42.059 -0.269 0.000 1.821 262 L HN 0.221 nan 8.230 nan 0.000 0.884 263 F N -0.172 119.539 119.950 -0.397 0.000 2.370 263 F HA 0.245 4.772 4.527 -0.000 0.000 0.324 263 F C 2.078 177.479 175.800 -0.664 0.000 1.116 263 F CA 0.364 57.895 58.000 -0.781 0.000 1.123 263 F CB 0.899 38.885 39.000 -1.691 0.000 1.238 263 F HN 0.171 nan 8.300 nan 0.000 0.536 264 S N 0.994 116.450 115.700 -0.406 0.000 2.380 264 S HA -0.300 4.170 4.470 -0.000 0.000 0.229 264 S C 1.623 176.201 174.600 -0.036 0.000 1.043 264 S CA 1.857 59.966 58.200 -0.152 0.000 1.038 264 S CB -1.175 61.991 63.200 -0.056 0.000 0.872 264 S HN 0.863 nan 8.310 nan 0.000 0.456 265 W N 2.113 123.485 121.300 0.120 0.000 2.436 265 W HA 0.225 4.885 4.660 -0.000 0.000 0.284 265 W C 1.274 177.811 176.519 0.030 0.000 1.225 265 W CA 0.525 57.884 57.345 0.023 0.000 1.271 265 W CB -0.701 28.756 29.460 -0.005 0.000 1.114 265 W HN 0.068 nan 8.180 nan 0.000 0.559 266 D N 0.158 120.513 120.400 -0.076 0.000 2.263 266 D HA -0.164 4.476 4.640 -0.000 0.000 0.208 266 D C 0.006 176.237 176.300 -0.115 0.000 0.971 266 D CA 0.937 54.909 54.000 -0.047 0.000 0.867 266 D CB -0.571 40.118 40.800 -0.184 0.000 0.929 266 D HN 0.154 nan 8.370 nan 0.000 0.492 267 Y N 0.351 120.589 120.300 -0.103 0.000 2.425 267 Y HA 0.199 4.749 4.550 -0.000 0.000 0.331 267 Y C 0.515 176.396 175.900 -0.032 0.000 1.157 267 Y CA -0.492 57.574 58.100 -0.057 0.000 1.372 267 Y CB 0.408 38.835 38.460 -0.054 0.000 1.253 267 Y HN -0.173 nan 8.280 nan 0.000 0.536 268 L N 0.959 122.301 121.223 0.197 0.000 2.393 268 L HA 0.545 4.885 4.340 -0.000 0.000 0.260 268 L C -1.191 175.980 176.870 0.502 0.000 1.002 268 L CA -1.472 53.571 54.840 0.337 0.000 0.818 268 L CB 0.731 42.912 42.059 0.203 0.000 1.369 268 L HN 0.347 nan 8.230 nan 0.000 0.412 269 F N 1.111 121.407 119.950 0.577 0.000 2.466 269 F HA 0.492 5.019 4.527 -0.000 0.000 0.363 269 F C 0.721 176.570 175.800 0.082 0.000 1.109 269 F CA 0.599 58.710 58.000 0.186 0.000 1.161 269 F CB 0.785 39.645 39.000 -0.233 0.000 1.117 269 F HN 0.634 nan 8.300 nan 0.000 0.539 270 S N 7.637 123.247 115.700 -0.149 0.000 2.488 270 S HA 0.417 4.887 4.470 -0.000 0.000 0.310 270 S C -1.022 173.510 174.600 -0.114 0.000 1.093 270 S CA -0.763 57.402 58.200 -0.059 0.000 1.129 270 S CB -0.052 63.130 63.200 -0.029 0.000 0.989 270 S HN 0.590 nan 8.310 nan 0.000 0.479 271 L N 7.113 128.339 121.223 0.005 0.000 2.276 271 L HA 0.619 4.959 4.340 -0.000 0.000 0.286 271 L C -0.226 176.694 176.870 0.084 0.000 1.061 271 L CA 0.063 54.942 54.840 0.064 0.000 0.807 271 L CB 0.683 42.839 42.059 0.162 0.000 1.177 271 L HN 0.616 nan 8.230 nan 0.000 0.429 272 K N 2.298 122.750 120.400 0.086 0.000 2.340 272 K HA 0.514 4.834 4.320 -0.000 0.000 0.244 272 K C -0.776 175.882 176.600 0.098 0.000 0.973 272 K CA -0.681 55.652 56.287 0.077 0.000 0.828 272 K CB 1.603 34.131 32.500 0.047 0.000 1.226 272 K HN 0.444 nan 8.250 nan 0.000 0.437 273 S N 1.975 117.726 115.700 0.084 0.000 2.448 273 S HA 0.169 4.639 4.470 -0.000 0.000 0.279 273 S C -1.409 173.237 174.600 0.078 0.000 1.195 273 S CA -1.653 56.600 58.200 0.089 0.000 1.051 273 S CB 0.437 63.681 63.200 0.073 0.000 0.948 273 S HN 0.528 nan 8.310 nan 0.000 0.493 274 P HA 0.067 nan 4.420 nan 0.000 0.233 274 P C -0.133 177.202 177.300 0.058 0.000 1.167 274 P CA 0.570 63.713 63.100 0.072 0.000 0.770 274 P CB 0.187 31.940 31.700 0.089 0.000 0.837 275 L N -1.278 119.984 121.223 0.065 0.000 2.309 275 L HA 0.368 4.708 4.340 -0.000 0.000 0.261 275 L C 0.201 177.101 176.870 0.050 0.000 1.021 275 L CA -1.002 53.870 54.840 0.054 0.000 0.823 275 L CB 2.130 44.227 42.059 0.064 0.000 1.366 275 L HN -0.343 nan 8.230 nan 0.000 0.423 276 S N 0.707 116.430 115.700 0.040 0.000 2.513 276 S HA 0.522 4.992 4.470 -0.000 0.000 0.276 276 S C -0.416 174.207 174.600 0.039 0.000 1.254 276 S CA -0.507 57.714 58.200 0.034 0.000 1.053 276 S CB 1.313 64.529 63.200 0.025 0.000 0.958 276 S HN 0.258 nan 8.310 nan 0.000 0.491 277 V N 4.222 124.158 119.914 0.036 0.000 2.531 277 V HA 0.367 4.487 4.120 -0.000 0.000 0.301 277 V C -0.217 175.892 176.094 0.025 0.000 1.034 277 V CA -1.025 61.295 62.300 0.035 0.000 0.865 277 V CB 1.900 33.742 31.823 0.033 0.000 0.995 277 V HN 0.702 nan 8.190 nan 0.000 0.424 278 K N 2.516 122.930 120.400 0.023 0.000 2.168 278 K HA 0.668 4.988 4.320 -0.000 0.000 0.258 278 K C 0.495 177.103 176.600 0.014 0.000 1.010 278 K CA 0.034 56.331 56.287 0.017 0.000 0.929 278 K CB 0.612 33.121 32.500 0.015 0.000 0.998 278 K HN 0.904 nan 8.250 nan 0.000 0.479 279 A N 0.895 123.722 122.820 0.012 0.000 2.555 279 A HA 0.346 4.666 4.320 -0.000 0.000 0.233 279 A C 1.417 179.003 177.584 0.004 0.000 1.060 279 A CA 0.872 52.914 52.037 0.009 0.000 0.759 279 A CB -1.044 17.961 19.000 0.009 0.000 0.995 279 A HN 0.907 nan 8.150 nan 0.000 0.506 280 G N 1.036 109.835 108.800 -0.003 0.000 2.304 280 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.252 280 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.252 280 G C 0.207 175.100 174.900 -0.012 0.000 1.014 280 G CA 0.773 45.867 45.100 -0.009 0.000 0.619 280 G HN 0.937 nan 8.290 nan 0.000 0.525 281 E N 0.483 120.680 120.200 -0.005 0.000 2.345 281 E HA 0.482 4.832 4.350 -0.000 0.000 0.259 281 E C 0.349 176.929 176.600 -0.033 0.000 1.117 281 E CA -0.460 55.939 56.400 -0.002 0.000 0.913 281 E CB 0.685 30.398 29.700 0.021 0.000 1.057 281 E HN 0.442 nan 8.360 nan 0.000 0.432 282 Q N 0.803 120.565 119.800 -0.063 0.000 2.259 282 Q HA 0.283 4.623 4.340 -0.000 0.000 0.246 282 Q C -1.220 174.616 176.000 -0.273 0.000 0.920 282 Q CA -0.616 55.057 55.803 -0.217 0.000 0.895 282 Q CB 1.200 29.713 28.738 -0.376 0.000 1.220 282 Q HN 0.276 nan 8.270 nan 0.000 0.439 283 V N 4.124 123.859 119.914 -0.299 0.000 2.407 283 V HA 0.361 4.481 4.120 -0.000 0.000 0.278 283 V C -0.848 175.079 176.094 -0.278 0.000 1.037 283 V CA -0.449 61.751 62.300 -0.166 0.000 0.900 283 V CB 0.278 32.080 31.823 -0.036 0.000 0.983 283 V HN 0.693 nan 8.190 nan 0.000 0.459 284 Y N 4.286 124.607 120.300 0.035 0.000 2.659 284 Y HA 0.819 5.369 4.550 -0.000 0.000 0.333 284 Y C 0.288 176.230 175.900 0.070 0.000 1.064 284 Y CA -0.971 57.144 58.100 0.026 0.000 1.141 284 Y CB 2.087 40.508 38.460 -0.064 0.000 1.316 284 Y HN 0.654 nan 8.280 nan 0.000 0.509 285 I N -1.224 119.529 120.570 0.304 0.000 3.354 285 I HA 0.642 4.812 4.170 -0.000 0.000 0.316 285 I C -1.566 174.687 176.117 0.227 0.000 1.182 285 I CA -1.448 60.021 61.300 0.281 0.000 0.942 285 I CB 2.210 40.450 38.000 0.401 0.000 1.299 285 I HN 0.401 nan 8.210 nan 0.000 0.473 286 Q N 1.002 120.970 119.800 0.280 0.000 2.372 286 Q HA 0.418 4.758 4.340 -0.000 0.000 0.259 286 Q C -0.690 175.628 176.000 0.530 0.000 0.993 286 Q CA -0.321 55.670 55.803 0.313 0.000 0.854 286 Q CB 0.861 29.712 28.738 0.189 0.000 1.231 286 Q HN 0.731 nan 8.270 nan 0.000 0.462 287 Y N 1.886 122.428 120.300 0.405 0.000 2.128 287 Y HA -0.127 4.423 4.550 -0.000 0.000 0.284 287 Y C 0.580 176.566 175.900 0.144 0.000 1.154 287 Y CA 0.872 59.053 58.100 0.134 0.000 1.149 287 Y CB 0.690 39.001 38.460 -0.248 0.000 0.976 287 Y HN 0.552 nan 8.280 nan 0.000 0.505 288 D N -1.409 119.183 120.400 0.319 0.000 2.400 288 D HA 0.072 4.712 4.640 -0.000 0.000 0.197 288 D C -0.150 176.259 176.300 0.182 0.000 1.295 288 D CA -0.104 54.028 54.000 0.220 0.000 0.878 288 D CB 0.562 41.478 40.800 0.193 0.000 1.659 288 D HN 0.065 nan 8.370 nan 0.000 0.546 289 L N 2.446 123.760 121.223 0.151 0.000 2.362 289 L HA -0.030 4.310 4.340 -0.000 0.000 0.219 289 L C 1.594 178.495 176.870 0.051 0.000 1.134 289 L CA 0.737 55.640 54.840 0.105 0.000 0.807 289 L CB -0.032 42.071 42.059 0.073 0.000 0.927 289 L HN 0.302 nan 8.230 nan 0.000 0.447 290 N N -0.518 118.208 118.700 0.044 0.000 2.236 290 N HA 0.059 4.799 4.740 -0.000 0.000 0.196 290 N C 0.217 175.753 175.510 0.044 0.000 1.114 290 N CA 0.198 53.235 53.050 -0.021 0.000 0.859 290 N CB 0.523 38.992 38.487 -0.030 0.000 0.982 290 N HN 0.303 nan 8.380 nan 0.000 0.493 291 K N 1.185 121.655 120.400 0.118 0.000 2.168 291 K HA 0.163 4.483 4.320 -0.000 0.000 0.258 291 K C 0.745 177.508 176.600 0.272 0.000 1.010 291 K CA -0.216 56.175 56.287 0.173 0.000 0.929 291 K CB 0.868 33.441 32.500 0.121 0.000 0.998 291 K HN 0.028 nan 8.250 nan 0.000 0.479 292 S N 0.668 116.541 115.700 0.288 0.000 2.669 292 S HA 0.135 4.605 4.470 -0.000 0.000 0.270 292 S C 0.894 175.546 174.600 0.087 0.000 1.225 292 S CA -0.729 57.614 58.200 0.239 0.000 0.991 292 S CB 1.014 64.197 63.200 -0.029 0.000 0.987 292 S HN 0.528 nan 8.310 nan 0.000 0.552 293 N N 0.966 119.704 118.700 0.064 0.000 2.166 293 N HA -0.105 4.635 4.740 -0.000 0.000 0.186 293 N C 1.965 177.465 175.510 -0.017 0.000 1.019 293 N CA 1.454 54.515 53.050 0.019 0.000 0.856 293 N CB -1.012 37.509 38.487 0.057 0.000 0.993 293 N HN 0.810 nan 8.380 nan 0.000 0.426 294 A N 1.524 124.333 122.820 -0.019 0.000 1.908 294 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 294 A C 2.086 179.603 177.584 -0.111 0.000 1.181 294 A CA 1.436 53.434 52.037 -0.066 0.000 0.627 294 A CB -0.417 18.532 19.000 -0.086 0.000 0.818 294 A HN 0.392 nan 8.150 nan 0.000 0.445 295 E N -0.044 120.099 120.200 -0.095 0.000 2.015 295 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 295 E C 1.991 178.487 176.600 -0.173 0.000 0.991 295 E CA 1.155 57.478 56.400 -0.129 0.000 0.802 295 E CB -0.426 29.234 29.700 -0.066 0.000 0.759 295 E HN 0.606 nan 8.360 nan 0.000 0.447 296 L N 0.840 121.986 121.223 -0.129 0.000 2.129 296 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 296 L C 2.555 179.253 176.870 -0.286 0.000 1.087 296 L CA 1.070 55.784 54.840 -0.209 0.000 0.757 296 L CB -0.537 41.299 42.059 -0.371 0.000 0.896 296 L HN 0.169 nan 8.230 nan 0.000 0.434 297 A N -0.370 122.331 122.820 -0.198 0.000 1.898 297 A HA -0.136 4.184 4.320 -0.000 0.000 0.214 297 A C 2.152 179.628 177.584 -0.180 0.000 1.183 297 A CA 1.196 53.149 52.037 -0.141 0.000 0.622 297 A CB -0.425 18.520 19.000 -0.091 0.000 0.824 297 A HN 0.304 nan 8.150 nan 0.000 0.444 298 L N -0.150 120.934 121.223 -0.231 0.000 2.068 298 L HA -0.040 4.300 4.340 -0.000 0.000 0.204 298 L C 1.597 178.278 176.870 -0.314 0.000 1.076 298 L CA 2.274 56.959 54.840 -0.259 0.000 0.753 298 L CB -0.489 41.425 42.059 -0.241 0.000 0.910 298 L HN 0.296 nan 8.230 nan 0.000 0.439 299 D N -1.301 118.833 120.400 -0.444 0.000 2.077 299 D HA -0.114 4.526 4.640 -0.000 0.000 0.196 299 D C 0.340 176.191 176.300 -0.748 0.000 0.986 299 D CA 1.662 55.218 54.000 -0.739 0.000 0.829 299 D CB -0.213 39.927 40.800 -1.100 0.000 0.983 299 D HN 0.347 nan 8.370 nan 0.000 0.453 300 Y N -1.133 119.077 120.300 -0.150 0.000 2.699 300 Y HA 0.613 5.163 4.550 -0.000 0.000 0.326 300 Y C 1.375 177.274 175.900 -0.001 0.000 1.141 300 Y CA -1.334 56.752 58.100 -0.022 0.000 1.246 300 Y CB 0.908 39.413 38.460 0.075 0.000 1.426 300 Y HN -0.197 nan 8.280 nan 0.000 0.559 301 G N 0.569 109.588 108.800 0.365 0.000 4.464 301 G HA2 0.474 4.434 3.960 -0.000 0.000 0.297 301 G HA3 0.474 4.434 3.960 -0.000 0.000 0.297 301 G C -1.124 174.027 174.900 0.417 0.000 1.342 301 G CA -0.100 45.198 45.100 0.331 0.000 1.335 301 G HN 0.482 nan 8.290 nan 0.000 0.609 302 F N -0.617 119.443 119.950 0.184 0.000 2.807 302 F HA 0.757 5.284 4.527 -0.000 0.000 0.316 302 F C -1.374 174.489 175.800 0.105 0.000 1.162 302 F CA -2.095 55.985 58.000 0.133 0.000 0.910 302 F CB 1.089 40.139 39.000 0.083 0.000 1.314 302 F HN 0.187 nan 8.300 nan 0.000 0.454 303 I N -1.406 119.347 120.570 0.304 0.000 3.191 303 I HA 0.723 4.893 4.170 -0.000 0.000 0.313 303 I C -1.561 174.711 176.117 0.259 0.000 1.193 303 I CA -0.997 60.401 61.300 0.163 0.000 0.968 303 I CB 2.666 40.734 38.000 0.112 0.000 1.262 303 I HN 0.756 nan 8.210 nan 0.000 0.456 304 E N 2.560 122.850 120.200 0.150 0.000 2.221 304 E HA 0.365 4.715 4.350 -0.000 0.000 0.268 304 E C -2.159 174.455 176.600 0.023 0.000 0.933 304 E CA -1.663 54.808 56.400 0.118 0.000 0.809 304 E CB 2.054 31.830 29.700 0.128 0.000 1.190 304 E HN 0.466 nan 8.360 nan 0.000 0.406 305 P HA -0.117 nan 4.420 nan 0.000 0.221 305 P C 0.125 177.401 177.300 -0.039 0.000 1.150 305 P CA 0.660 63.761 63.100 0.002 0.000 0.800 305 P CB 0.141 31.850 31.700 0.015 0.000 0.787 306 N N 1.215 119.893 118.700 -0.035 0.000 2.332 306 N HA -0.136 4.604 4.740 -0.000 0.000 0.274 306 N C 1.149 176.584 175.510 -0.124 0.000 1.351 306 N CA 0.463 53.491 53.050 -0.036 0.000 0.875 306 N CB 0.188 38.675 38.487 0.000 0.000 1.140 306 N HN 0.318 nan 8.380 nan 0.000 0.489 307 E N 2.702 122.870 120.200 -0.054 0.000 2.401 307 E HA -0.207 4.143 4.350 -0.000 0.000 0.199 307 E C 0.132 176.777 176.600 0.074 0.000 1.023 307 E CA 0.830 57.206 56.400 -0.041 0.000 0.859 307 E CB -0.067 29.665 29.700 0.053 0.000 0.780 307 E HN 0.506 nan 8.360 nan 0.000 0.523 308 N N 0.628 119.403 118.700 0.124 0.000 2.463 308 N HA 0.002 4.742 4.740 -0.000 0.000 0.181 308 N C 1.257 176.929 175.510 0.271 0.000 1.078 308 N CA 0.244 53.443 53.050 0.248 0.000 0.902 308 N CB 0.036 38.632 38.487 0.181 0.000 0.970 308 N HN 0.154 nan 8.380 nan 0.000 0.451 309 R N 0.605 121.159 120.500 0.091 0.000 2.276 309 R HA 0.045 4.385 4.340 -0.000 0.000 0.203 309 R C -0.048 176.353 176.300 0.169 0.000 1.017 309 R CA 0.161 56.348 56.100 0.145 0.000 1.010 309 R CB -0.510 29.786 30.300 -0.007 0.000 0.900 309 R HN 0.493 nan 8.270 nan 0.000 0.469 310 H N -0.113 119.058 119.070 0.168 0.000 2.819 310 H HA 0.354 4.910 4.556 -0.000 0.000 0.303 310 H C 0.054 175.357 175.328 -0.043 0.000 1.058 310 H CA -0.160 55.915 56.048 0.045 0.000 1.471 310 H CB 0.929 30.679 29.762 -0.021 0.000 1.480 310 H HN 0.151 nan 8.280 nan 0.000 0.517 311 A N 3.546 126.304 122.820 -0.104 0.000 2.566 311 A HA 0.572 4.892 4.320 -0.000 0.000 0.292 311 A C -2.043 175.480 177.584 -0.100 0.000 1.112 311 A CA -0.633 51.172 52.037 -0.387 0.000 0.707 311 A CB 1.502 19.690 19.000 -1.353 0.000 1.302 311 A HN 0.650 nan 8.150 nan 0.000 0.409 312 Y N -0.045 120.150 120.300 -0.175 0.000 2.433 312 Y HA 0.574 5.124 4.550 -0.000 0.000 0.337 312 Y C -0.088 175.794 175.900 -0.029 0.000 1.026 312 Y CA 0.038 58.100 58.100 -0.064 0.000 1.037 312 Y CB 2.214 40.670 38.460 -0.005 0.000 1.245 312 Y HN 0.862 nan 8.280 nan 0.000 0.443 313 T N 6.814 121.160 114.554 -0.347 0.000 2.771 313 T HA 0.630 4.980 4.350 -0.000 0.000 0.281 313 T C -0.957 173.730 174.700 -0.023 0.000 0.982 313 T CA -0.525 61.521 62.100 -0.089 0.000 0.978 313 T CB 0.135 68.961 68.868 -0.071 0.000 0.930 313 T HN 0.595 nan 8.240 nan 0.000 0.447 314 L N 4.154 125.479 121.223 0.170 0.000 2.343 314 L HA 0.625 4.965 4.340 -0.000 0.000 0.275 314 L C 0.797 177.774 176.870 0.179 0.000 1.056 314 L CA -1.012 53.937 54.840 0.183 0.000 0.804 314 L CB 1.725 43.887 42.059 0.172 0.000 1.203 314 L HN 0.769 nan 8.230 nan 0.000 0.440 315 T N 2.471 117.081 114.554 0.093 0.000 2.812 315 T HA 0.668 5.018 4.350 -0.000 0.000 0.282 315 T C -0.838 173.811 174.700 -0.085 0.000 0.990 315 T CA -0.629 61.436 62.100 -0.058 0.000 0.960 315 T CB 0.719 69.529 68.868 -0.097 0.000 0.948 315 T HN 0.404 nan 8.240 nan 0.000 0.438 316 L N 4.290 125.428 121.223 -0.142 0.000 2.346 316 L HA 0.752 5.092 4.340 -0.000 0.000 0.276 316 L C -0.208 176.638 176.870 -0.040 0.000 1.006 316 L CA -0.964 53.834 54.840 -0.070 0.000 0.817 316 L CB 1.869 43.867 42.059 -0.102 0.000 1.272 316 L HN 0.848 nan 8.230 nan 0.000 0.421 317 E N 3.051 123.321 120.200 0.115 0.000 2.321 317 E HA 0.452 4.802 4.350 -0.000 0.000 0.278 317 E C -1.246 175.492 176.600 0.230 0.000 0.902 317 E CA -0.819 55.688 56.400 0.178 0.000 0.758 317 E CB 2.265 32.009 29.700 0.072 0.000 1.213 317 E HN 0.505 nan 8.360 nan 0.000 0.426 318 I N 2.700 123.430 120.570 0.267 0.000 2.406 318 I HA 0.054 4.224 4.170 -0.000 0.000 0.293 318 I C 0.571 176.898 176.117 0.349 0.000 1.101 318 I CA -0.090 61.345 61.300 0.224 0.000 1.334 318 I CB 0.659 38.716 38.000 0.095 0.000 1.421 318 I HN 0.490 nan 8.210 nan 0.000 0.513 319 S N 4.645 120.507 115.700 0.270 0.000 2.580 319 S HA 0.101 4.571 4.470 -0.000 0.000 0.274 319 S C 1.153 175.876 174.600 0.206 0.000 1.329 319 S CA -0.458 57.858 58.200 0.194 0.000 1.036 319 S CB 0.734 63.989 63.200 0.092 0.000 0.919 319 S HN 0.652 nan 8.310 nan 0.000 0.515 320 E N 2.035 122.096 120.200 -0.233 0.000 2.482 320 E HA -0.008 4.342 4.350 -0.000 0.000 0.196 320 E C 1.220 177.633 176.600 -0.311 0.000 1.047 320 E CA 0.399 56.299 56.400 -0.834 0.000 0.869 320 E CB 0.057 29.181 29.700 -0.961 0.000 0.836 320 E HN 0.534 nan 8.360 nan 0.000 0.520 321 S N 0.833 116.464 115.700 -0.115 0.000 2.558 321 S HA -0.047 4.423 4.470 -0.000 0.000 0.217 321 S C 0.539 175.138 174.600 -0.001 0.000 0.975 321 S CA -0.053 58.112 58.200 -0.058 0.000 0.912 321 S CB 0.048 63.226 63.200 -0.035 0.000 0.776 321 S HN 0.201 nan 8.310 nan 0.000 0.526 322 D N 3.084 123.528 120.400 0.073 0.000 2.339 322 D HA 0.107 4.747 4.640 -0.000 0.000 0.256 322 D C -1.384 174.963 176.300 0.078 0.000 1.214 322 D CA -2.074 52.002 54.000 0.127 0.000 0.877 322 D CB 1.261 42.194 40.800 0.222 0.000 1.111 322 D HN 0.041 nan 8.370 nan 0.000 0.478 323 P HA -0.160 nan 4.420 nan 0.000 0.221 323 P C 0.438 177.418 177.300 -0.533 0.000 1.141 323 P CA 1.019 63.915 63.100 -0.340 0.000 0.794 323 P CB -0.058 31.332 31.700 -0.517 0.000 0.764 324 F N -3.191 116.800 119.950 0.067 0.000 2.735 324 F HA 0.265 4.792 4.527 -0.000 0.000 0.304 324 F C 1.803 177.641 175.800 0.065 0.000 1.119 324 F CA -0.953 57.075 58.000 0.046 0.000 1.280 324 F CB -0.723 38.272 39.000 -0.008 0.000 0.994 324 F HN -0.259 nan 8.300 nan 0.000 0.520 325 F N 1.977 121.978 119.950 0.085 0.000 2.037 325 F HA -0.374 4.153 4.527 -0.000 0.000 0.296 325 F C 2.185 178.022 175.800 0.061 0.000 1.132 325 F CA 2.280 60.316 58.000 0.059 0.000 1.211 325 F CB -0.369 38.647 39.000 0.025 0.000 0.951 325 F HN 0.012 nan 8.300 nan 0.000 0.503 326 D N 0.303 120.741 120.400 0.064 0.000 2.127 326 D HA -0.253 4.387 4.640 -0.000 0.000 0.190 326 D C 1.985 178.230 176.300 -0.093 0.000 1.000 326 D CA 2.031 56.003 54.000 -0.047 0.000 0.839 326 D CB -0.759 40.108 40.800 0.111 0.000 0.955 326 D HN 0.462 nan 8.370 nan 0.000 0.446 327 D N 0.597 121.003 120.400 0.010 0.000 2.123 327 D HA -0.123 4.517 4.640 -0.000 0.000 0.196 327 D C 2.075 178.348 176.300 -0.046 0.000 0.992 327 D CA 0.921 54.929 54.000 0.014 0.000 0.833 327 D CB 0.006 40.857 40.800 0.085 0.000 0.954 327 D HN 0.292 nan 8.370 nan 0.000 0.455 328 K N 0.250 120.603 120.400 -0.078 0.000 2.025 328 K HA -0.117 4.203 4.320 -0.000 0.000 0.207 328 K C 2.162 178.657 176.600 -0.175 0.000 1.049 328 K CA 0.341 56.553 56.287 -0.124 0.000 0.933 328 K CB -0.266 32.163 32.500 -0.120 0.000 0.714 328 K HN 0.006 nan 8.250 nan 0.000 0.438 329 L N 2.055 123.089 121.223 -0.315 0.000 2.081 329 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 329 L C 1.758 178.541 176.870 -0.145 0.000 1.080 329 L CA 1.967 56.622 54.840 -0.308 0.000 0.754 329 L CB -0.521 41.184 42.059 -0.589 0.000 0.893 329 L HN 0.178 nan 8.230 nan 0.000 0.433 330 D N -1.511 118.819 120.400 -0.118 0.000 2.097 330 D HA -0.175 4.465 4.640 -0.000 0.000 0.197 330 D C 2.084 178.375 176.300 -0.015 0.000 0.984 330 D CA 1.514 55.485 54.000 -0.048 0.000 0.826 330 D CB 0.056 40.840 40.800 -0.027 0.000 0.973 330 D HN 0.190 nan 8.370 nan 0.000 0.460 331 V N 0.781 120.692 119.914 -0.005 0.000 2.332 331 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 331 V C 2.505 178.651 176.094 0.086 0.000 1.055 331 V CA 1.808 64.141 62.300 0.056 0.000 1.038 331 V CB -0.949 30.911 31.823 0.063 0.000 0.651 331 V HN 0.365 nan 8.190 nan 0.000 0.450 332 A N -0.244 122.607 122.820 0.051 0.000 1.855 332 A HA -0.200 4.120 4.320 -0.000 0.000 0.215 332 A C 2.199 179.841 177.584 0.097 0.000 1.191 332 A CA 1.687 53.784 52.037 0.101 0.000 0.613 332 A CB -0.460 18.572 19.000 0.054 0.000 0.829 332 A HN 0.601 nan 8.150 nan 0.000 0.442 333 E N 0.096 120.324 120.200 0.048 0.000 2.051 333 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 333 E C 2.095 178.681 176.600 -0.024 0.000 0.991 333 E CA 1.346 57.759 56.400 0.021 0.000 0.799 333 E CB -0.249 29.453 29.700 0.005 0.000 0.748 333 E HN 0.510 nan 8.360 nan 0.000 0.449 334 S N 0.892 116.576 115.700 -0.026 0.000 2.493 334 S HA -0.058 4.412 4.470 -0.000 0.000 0.243 334 S C 1.090 175.628 174.600 -0.103 0.000 0.991 334 S CA 0.580 58.754 58.200 -0.044 0.000 0.957 334 S CB -0.078 63.114 63.200 -0.013 0.000 0.756 334 S HN 0.243 nan 8.310 nan 0.000 0.521 335 N N -0.123 118.477 118.700 -0.167 0.000 2.235 335 N HA 0.204 4.944 4.740 -0.000 0.000 0.231 335 N C 0.788 176.102 175.510 -0.328 0.000 1.177 335 N CA 0.562 53.394 53.050 -0.363 0.000 0.874 335 N CB 1.273 39.236 38.487 -0.874 0.000 1.097 335 N HN 0.425 nan 8.380 nan 0.000 0.518 336 G N 0.781 109.440 108.800 -0.235 0.000 2.132 336 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.234 336 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.234 336 G C -0.332 174.239 174.900 -0.549 0.000 0.989 336 G CA -0.187 44.691 45.100 -0.370 0.000 0.676 336 G HN 0.236 nan 8.290 nan 0.000 0.522 337 F N 0.262 120.177 119.950 -0.058 0.000 2.561 337 F HA 0.826 5.353 4.527 -0.000 0.000 0.321 337 F C 0.620 176.475 175.800 0.092 0.000 1.065 337 F CA -0.302 57.744 58.000 0.077 0.000 0.934 337 F CB 1.845 41.032 39.000 0.312 0.000 1.215 337 F HN 0.264 nan 8.300 nan 0.000 0.471 338 A N 0.823 123.817 122.820 0.290 0.000 2.274 338 A HA 0.303 4.623 4.320 -0.000 0.000 0.297 338 A C 1.113 178.845 177.584 0.246 0.000 1.191 338 A CA -0.378 51.772 52.037 0.189 0.000 0.889 338 A CB 0.610 19.676 19.000 0.111 0.000 1.294 338 A HN 0.809 nan 8.150 nan 0.000 0.506 339 Q N -0.927 118.974 119.800 0.169 0.000 2.226 339 Q HA -0.064 4.276 4.340 -0.000 0.000 0.204 339 Q C -0.422 175.705 176.000 0.210 0.000 0.975 339 Q CA 1.389 57.301 55.803 0.182 0.000 0.866 339 Q CB 0.022 28.869 28.738 0.182 0.000 0.915 339 Q HN 0.710 nan 8.270 nan 0.000 0.440 340 T N 0.073 114.704 114.554 0.129 0.000 2.881 340 T HA 0.672 5.022 4.350 -0.000 0.000 0.290 340 T C -1.460 173.156 174.700 -0.139 0.000 1.000 340 T CA -0.410 61.674 62.100 -0.026 0.000 0.978 340 T CB 1.734 70.543 68.868 -0.099 0.000 0.997 340 T HN 0.190 nan 8.240 nan 0.000 0.443 341 A N 2.817 125.430 122.820 -0.346 0.000 2.414 341 A HA 0.842 5.162 4.320 -0.000 0.000 0.306 341 A C -1.864 175.391 177.584 -0.547 0.000 1.054 341 A CA -0.712 51.094 52.037 -0.385 0.000 0.724 341 A CB 1.079 19.845 19.000 -0.390 0.000 1.267 341 A HN 0.792 nan 8.150 nan 0.000 0.418 342 Y N 0.235 120.345 120.300 -0.317 0.000 2.364 342 Y HA 0.643 5.193 4.550 -0.000 0.000 0.340 342 Y C -0.827 174.848 175.900 -0.374 0.000 0.975 342 Y CA -0.430 57.551 58.100 -0.198 0.000 1.089 342 Y CB 1.799 40.178 38.460 -0.136 0.000 1.192 342 Y HN 0.539 nan 8.280 nan 0.000 0.454 343 F N 2.324 122.347 119.950 0.121 0.000 2.467 343 F HA 0.338 4.865 4.527 -0.000 0.000 0.336 343 F C -0.339 175.533 175.800 0.120 0.000 1.123 343 F CA -1.215 56.858 58.000 0.122 0.000 0.964 343 F CB 1.247 40.305 39.000 0.097 0.000 1.136 343 F HN 0.399 nan 8.300 nan 0.000 0.447 344 D N 4.754 125.314 120.400 0.268 0.000 2.280 344 D HA 0.351 4.991 4.640 -0.000 0.000 0.243 344 D C -0.136 176.322 176.300 0.265 0.000 1.129 344 D CA 0.151 54.271 54.000 0.199 0.000 0.848 344 D CB 1.716 42.651 40.800 0.225 0.000 1.107 344 D HN 0.366 nan 8.370 nan 0.000 0.471 345 I N 3.270 123.937 120.570 0.161 0.000 2.359 345 I HA 0.207 4.377 4.170 -0.000 0.000 0.284 345 I C -0.235 175.945 176.117 0.105 0.000 1.018 345 I CA -0.639 60.783 61.300 0.204 0.000 1.173 345 I CB 0.465 38.593 38.000 0.214 0.000 1.326 345 I HN 0.058 nan 8.210 nan 0.000 0.462 346 F N 5.102 125.156 119.950 0.173 0.000 2.385 346 F HA 0.263 4.790 4.527 -0.000 0.000 0.336 346 F C 0.404 176.328 175.800 0.206 0.000 1.100 346 F CA -0.292 57.821 58.000 0.190 0.000 1.116 346 F CB 0.604 39.693 39.000 0.149 0.000 1.166 346 F HN 0.296 nan 8.300 nan 0.000 0.511 347 Y N 4.322 124.783 120.300 0.268 0.000 2.805 347 Y HA -0.090 4.460 4.550 -0.000 0.000 0.337 347 Y C 1.212 177.225 175.900 0.188 0.000 1.252 347 Y CA 0.397 58.616 58.100 0.199 0.000 1.515 347 Y CB 0.134 38.719 38.460 0.209 0.000 1.305 347 Y HN 0.739 nan 8.280 nan 0.000 0.600 348 N N 1.085 119.514 118.700 -0.452 0.000 2.809 348 N HA -0.325 4.415 4.740 -0.000 0.000 0.244 348 N C 0.010 175.486 175.510 -0.056 0.000 1.018 348 N CA 1.505 54.385 53.050 -0.283 0.000 0.917 348 N CB -0.777 37.607 38.487 -0.172 0.000 1.130 348 N HN 0.720 nan 8.380 nan 0.000 0.591 349 R N 1.039 121.566 120.500 0.045 0.000 2.596 349 R HA 0.388 4.728 4.340 -0.000 0.000 0.267 349 R C 0.470 176.809 176.300 0.065 0.000 1.026 349 R CA 0.071 56.218 56.100 0.079 0.000 1.087 349 R CB 0.739 31.135 30.300 0.160 0.000 1.132 349 R HN 0.187 nan 8.270 nan 0.000 0.531 350 T N 0.202 114.791 114.554 0.058 0.000 2.882 350 T HA 0.263 4.613 4.350 -0.000 0.000 0.287 350 T C 0.710 175.463 174.700 0.087 0.000 1.014 350 T CA -0.789 61.339 62.100 0.046 0.000 1.049 350 T CB 0.541 69.425 68.868 0.027 0.000 1.001 350 T HN 0.374 nan 8.240 nan 0.000 0.525 351 L N 3.199 124.464 121.223 0.070 0.000 2.559 351 L HA 0.191 4.531 4.340 -0.000 0.000 0.282 351 L C -1.422 175.531 176.870 0.138 0.000 1.232 351 L CA -1.453 53.450 54.840 0.105 0.000 0.885 351 L CB -0.281 41.809 42.059 0.052 0.000 1.131 351 L HN 0.610 nan 8.230 nan 0.000 0.498 352 P HA 0.148 nan 4.420 nan 0.000 0.268 352 P C -2.530 174.935 177.300 0.275 0.000 1.205 352 P CA -1.168 62.094 63.100 0.272 0.000 0.771 352 P CB -0.072 31.867 31.700 0.399 0.000 0.858 353 P HA 0.111 nan 4.420 nan 0.000 0.269 353 P C 1.126 178.699 177.300 0.456 0.000 1.209 353 P CA 0.947 64.216 63.100 0.282 0.000 0.776 353 P CB 0.069 31.920 31.700 0.251 0.000 0.876 354 G N 0.999 110.049 108.800 0.418 0.000 2.268 354 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.240 354 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.240 354 G C 0.699 175.680 174.900 0.135 0.000 1.010 354 G CA 0.348 45.780 45.100 0.554 0.000 0.618 354 G HN 0.564 nan 8.290 nan 0.000 0.516 355 L N 1.102 122.218 121.223 -0.179 0.000 1.976 355 L HA 0.267 4.607 4.340 -0.000 0.000 0.209 355 L C 2.778 179.412 176.870 -0.394 0.000 1.071 355 L CA 2.669 56.983 54.840 -0.877 0.000 0.746 355 L CB -0.800 40.939 42.059 -0.533 0.000 0.890 355 L HN 0.422 nan 8.230 nan 0.000 0.432 356 L N 0.275 121.394 121.223 -0.173 0.000 1.994 356 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 356 L C -0.154 176.608 176.870 -0.180 0.000 1.071 356 L CA 1.549 56.318 54.840 -0.119 0.000 0.745 356 L CB -2.144 39.857 42.059 -0.097 0.000 0.892 356 L HN 0.275 nan 8.230 nan 0.000 0.431 357 P HA -0.251 nan 4.420 nan 0.000 0.219 357 P C 1.371 178.384 177.300 -0.478 0.000 1.146 357 P CA 1.679 64.478 63.100 -0.502 0.000 0.808 357 P CB -0.067 31.117 31.700 -0.859 0.000 0.779 358 Y N 0.445 120.502 120.300 -0.405 0.000 2.220 358 Y HA -0.080 4.470 4.550 -0.000 0.000 0.291 358 Y C 2.582 178.356 175.900 -0.210 0.000 1.129 358 Y CA 1.056 58.991 58.100 -0.275 0.000 1.161 358 Y CB -0.712 37.616 38.460 -0.221 0.000 0.997 358 Y HN -0.262 nan 8.280 nan 0.000 0.522 359 L N -0.314 120.909 121.223 0.000 0.000 2.042 359 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 359 L C 2.465 179.297 176.870 -0.064 0.000 1.076 359 L CA 1.513 56.349 54.840 -0.007 0.000 0.749 359 L CB -0.422 41.629 42.059 -0.014 0.000 0.893 359 L HN 0.165 nan 8.230 nan 0.000 0.432 360 R N -0.610 119.814 120.500 -0.126 0.000 2.096 360 R HA -0.185 4.155 4.340 -0.000 0.000 0.235 360 R C 2.182 178.360 176.300 -0.204 0.000 1.127 360 R CA 1.194 57.200 56.100 -0.156 0.000 0.968 360 R CB -0.445 29.740 30.300 -0.192 0.000 0.861 360 R HN 0.181 nan 8.270 nan 0.000 0.440 361 L N 0.497 121.555 121.223 -0.276 0.000 2.056 361 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 361 L C 2.026 178.769 176.870 -0.212 0.000 1.078 361 L CA 1.500 56.162 54.840 -0.297 0.000 0.749 361 L CB -0.223 41.588 42.059 -0.414 0.000 0.901 361 L HN -0.084 nan 8.230 nan 0.000 0.433 362 V N -0.076 119.743 119.914 -0.157 0.000 2.407 362 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 362 V C 2.530 178.602 176.094 -0.037 0.000 1.055 362 V CA 1.626 63.897 62.300 -0.050 0.000 1.049 362 V CB -1.048 30.806 31.823 0.052 0.000 0.662 362 V HN 0.587 nan 8.190 nan 0.000 0.455 363 A N -1.022 121.763 122.820 -0.058 0.000 2.251 363 A HA 0.084 4.404 4.320 -0.000 0.000 0.209 363 A C 1.864 179.397 177.584 -0.085 0.000 1.187 363 A CA 0.356 52.362 52.037 -0.051 0.000 0.823 363 A CB -0.305 18.669 19.000 -0.043 0.000 0.846 363 A HN 0.382 nan 8.150 nan 0.000 0.486 364 L N 0.144 121.286 121.223 -0.135 0.000 2.054 364 L HA -0.166 4.174 4.340 -0.000 0.000 0.240 364 L C 1.491 178.236 176.870 -0.208 0.000 1.107 364 L CA 2.396 57.109 54.840 -0.211 0.000 0.833 364 L CB -1.299 40.593 42.059 -0.279 0.000 0.929 364 L HN 1.047 nan 8.230 nan 0.000 0.447 365 G N -4.014 104.683 108.800 -0.173 0.000 2.916 365 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.533 365 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.533 365 G C 0.832 175.616 174.900 -0.194 0.000 1.516 365 G CA 0.053 45.092 45.100 -0.102 0.000 0.944 365 G HN 1.069 nan 8.290 nan 0.000 0.555 366 G N -0.390 108.400 108.800 -0.016 0.000 2.703 366 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.222 366 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.222 366 G C 2.041 176.912 174.900 -0.049 0.000 1.183 366 G CA 2.676 47.782 45.100 0.010 0.000 0.775 366 G HN 1.775 nan 8.290 nan 0.000 0.615 367 T N 0.911 115.442 114.554 -0.038 0.000 2.653 367 T HA -0.131 4.219 4.350 -0.000 0.000 0.268 367 T C 1.475 176.190 174.700 0.026 0.000 1.035 367 T CA 1.715 63.812 62.100 -0.005 0.000 1.154 367 T CB -0.233 68.621 68.868 -0.024 0.000 0.862 367 T HN 0.414 nan 8.240 nan 0.000 0.441 368 D N 0.619 120.924 120.400 -0.159 0.000 2.402 368 D HA 0.429 5.069 4.640 -0.000 0.000 0.216 368 D C 1.773 177.637 176.300 -0.727 0.000 1.128 368 D CA 0.190 53.922 54.000 -0.448 0.000 0.833 368 D CB 0.067 40.585 40.800 -0.471 0.000 0.971 368 D HN 0.387 nan 8.370 nan 0.000 0.503 369 A N 1.186 123.708 122.820 -0.497 0.000 2.076 369 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 369 A C 1.851 179.157 177.584 -0.464 0.000 1.160 369 A CA 0.817 52.464 52.037 -0.651 0.000 0.653 369 A CB -1.118 17.451 19.000 -0.720 0.000 0.801 369 A HN 0.388 nan 8.150 nan 0.000 0.455 370 F N -0.518 119.267 119.950 -0.274 0.000 2.307 370 F HA -0.077 4.450 4.527 -0.000 0.000 0.301 370 F C 1.386 177.001 175.800 -0.309 0.000 1.076 370 F CA 1.065 58.947 58.000 -0.198 0.000 1.383 370 F CB -0.781 38.121 39.000 -0.163 0.000 1.055 370 F HN 0.107 nan 8.300 nan 0.000 0.526 371 L N 0.408 120.847 121.223 -1.307 0.000 2.376 371 L HA -0.024 4.316 4.340 -0.000 0.000 0.219 371 L C 1.755 178.366 176.870 -0.432 0.000 1.133 371 L CA 0.426 54.535 54.840 -1.219 0.000 0.816 371 L CB -0.439 40.842 42.059 -1.296 0.000 0.933 371 L HN 0.275 nan 8.230 nan 0.000 0.449 372 L N -0.471 120.571 121.223 -0.302 0.000 2.645 372 L HA 0.072 4.412 4.340 -0.000 0.000 0.234 372 L C 0.565 177.463 176.870 0.047 0.000 1.165 372 L CA -0.096 54.679 54.840 -0.109 0.000 0.944 372 L CB -0.270 41.702 42.059 -0.146 0.000 1.149 372 L HN 0.147 nan 8.230 nan 0.000 0.446 373 E N -0.420 119.879 120.200 0.165 0.000 2.318 373 E HA 0.155 4.505 4.350 -0.000 0.000 0.265 373 E C 1.121 177.830 176.600 0.182 0.000 1.069 373 E CA -0.120 56.405 56.400 0.209 0.000 0.893 373 E CB 1.490 31.370 29.700 0.301 0.000 1.076 373 E HN -0.044 nan 8.360 nan 0.000 0.414 374 S N 1.079 116.841 115.700 0.103 0.000 2.407 374 S HA -0.225 4.245 4.470 -0.000 0.000 0.235 374 S C 1.760 176.372 174.600 0.021 0.000 1.036 374 S CA 1.034 59.269 58.200 0.058 0.000 1.013 374 S CB -0.149 63.072 63.200 0.035 0.000 0.820 374 S HN 0.455 nan 8.310 nan 0.000 0.476 375 L N 0.836 122.034 121.223 -0.041 0.000 2.079 375 L HA -0.005 4.335 4.340 -0.000 0.000 0.210 375 L C 1.352 178.025 176.870 -0.329 0.000 1.081 375 L CA 1.798 56.487 54.840 -0.251 0.000 0.752 375 L CB -0.648 41.125 42.059 -0.477 0.000 0.896 375 L HN 0.282 nan 8.230 nan 0.000 0.433 376 F N -1.493 118.493 119.950 0.060 0.000 2.727 376 F HA 0.217 4.744 4.527 -0.000 0.000 0.302 376 F C 1.950 177.789 175.800 0.065 0.000 1.097 376 F CA -0.290 57.755 58.000 0.075 0.000 1.330 376 F CB -0.359 38.667 39.000 0.043 0.000 1.084 376 F HN -0.121 nan 8.300 nan 0.000 0.578 377 R N 0.690 121.295 120.500 0.175 0.000 2.261 377 R HA -0.130 4.210 4.340 -0.000 0.000 0.236 377 R C 0.735 177.105 176.300 0.117 0.000 1.141 377 R CA 1.027 57.204 56.100 0.129 0.000 1.001 377 R CB -0.612 29.736 30.300 0.081 0.000 0.866 377 R HN 0.352 nan 8.270 nan 0.000 0.468 378 D N -1.281 119.185 120.400 0.110 0.000 2.379 378 D HA 0.026 4.666 4.640 -0.000 0.000 0.208 378 D C 0.992 177.358 176.300 0.110 0.000 1.065 378 D CA 0.831 54.885 54.000 0.090 0.000 0.848 378 D CB 0.756 41.590 40.800 0.056 0.000 0.949 378 D HN 0.330 nan 8.370 nan 0.000 0.509 379 T N -2.083 112.568 114.554 0.162 0.000 2.969 379 T HA 0.037 4.387 4.350 -0.000 0.000 0.258 379 T C 1.805 176.586 174.700 0.135 0.000 0.962 379 T CA -0.268 61.905 62.100 0.122 0.000 0.903 379 T CB 0.055 69.027 68.868 0.174 0.000 1.177 379 T HN -0.085 nan 8.240 nan 0.000 0.511 380 I N 1.226 121.945 120.570 0.248 0.000 2.181 380 I HA -0.138 4.032 4.170 -0.000 0.000 0.247 380 I C 1.982 178.167 176.117 0.113 0.000 1.081 380 I CA 1.424 62.836 61.300 0.187 0.000 1.340 380 I CB -0.457 37.623 38.000 0.134 0.000 1.036 380 I HN 0.514 nan 8.210 nan 0.000 0.417 381 W N 0.976 122.279 121.300 0.005 0.000 2.418 381 W HA -0.056 4.604 4.660 -0.000 0.000 0.292 381 W C 2.209 178.716 176.519 -0.020 0.000 1.213 381 W CA 1.374 58.716 57.345 -0.006 0.000 1.283 381 W CB -0.657 28.818 29.460 0.025 0.000 1.119 381 W HN 0.306 nan 8.180 nan 0.000 0.542 382 G N -0.319 108.509 108.800 0.047 0.000 2.418 382 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.217 382 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.217 382 G C 1.296 176.100 174.900 -0.159 0.000 1.158 382 G CA 1.103 46.158 45.100 -0.075 0.000 0.771 382 G HN 0.276 nan 8.290 nan 0.000 0.545 383 H N 0.354 119.418 119.070 -0.011 0.000 2.326 383 H HA 0.071 4.627 4.556 -0.000 0.000 0.301 383 H C 2.770 178.007 175.328 -0.152 0.000 1.081 383 H CA 0.874 56.904 56.048 -0.029 0.000 1.334 383 H CB -0.559 29.190 29.762 -0.022 0.000 1.385 383 H HN 0.227 nan 8.280 nan 0.000 0.504 384 L N 0.761 121.882 121.223 -0.169 0.000 2.189 384 L HA -0.203 4.137 4.340 -0.000 0.000 0.214 384 L C 2.284 178.920 176.870 -0.391 0.000 1.097 384 L CA 1.282 55.899 54.840 -0.373 0.000 0.764 384 L CB -0.211 41.439 42.059 -0.681 0.000 0.900 384 L HN 0.357 nan 8.230 nan 0.000 0.436 385 E N -0.341 119.647 120.200 -0.354 0.000 2.086 385 E HA -0.120 4.230 4.350 -0.000 0.000 0.190 385 E C 2.284 178.805 176.600 -0.130 0.000 0.975 385 E CA 0.691 56.947 56.400 -0.239 0.000 0.813 385 E CB 0.017 29.629 29.700 -0.147 0.000 0.768 385 E HN 0.462 nan 8.360 nan 0.000 0.457 386 L N 0.676 121.848 121.223 -0.085 0.000 2.217 386 L HA -0.022 4.318 4.340 -0.000 0.000 0.211 386 L C 0.516 177.335 176.870 -0.086 0.000 1.107 386 L CA 0.404 55.210 54.840 -0.057 0.000 0.783 386 L CB -0.207 41.854 42.059 0.004 0.000 0.919 386 L HN 0.095 nan 8.230 nan 0.000 0.442 387 S N -3.971 111.691 115.700 -0.064 0.000 2.810 387 S HA -0.060 4.410 4.470 -0.000 0.000 0.746 387 S C -0.121 174.525 174.600 0.076 0.000 0.827 387 S CA -0.341 57.833 58.200 -0.044 0.000 1.489 387 S CB -0.529 62.568 63.200 -0.171 0.000 1.105 387 S HN -0.206 nan 8.310 nan 0.000 0.262 388 V N 1.800 121.785 119.914 0.119 0.000 2.465 388 V HA 0.516 4.636 4.120 -0.000 0.000 0.230 388 V C 1.392 177.632 176.094 0.243 0.000 1.084 388 V CA 1.485 63.842 62.300 0.096 0.000 1.092 388 V CB -0.227 31.542 31.823 -0.090 0.000 0.730 388 V HN 1.727 nan 8.190 nan 0.000 0.491 389 S N -1.380 114.397 115.700 0.129 0.000 2.618 389 S HA 0.464 4.934 4.470 -0.000 0.000 0.277 389 S C 0.325 174.503 174.600 -0.703 0.000 1.138 389 S CA -0.540 57.510 58.200 -0.251 0.000 0.844 389 S CB 2.359 65.457 63.200 -0.171 0.000 1.127 389 S HN 0.250 nan 8.310 nan 0.000 0.474 390 R N 0.342 120.069 120.500 -1.289 0.000 2.096 390 R HA -0.101 4.239 4.340 -0.000 0.000 0.235 390 R C 0.728 176.847 176.300 -0.303 0.000 1.127 390 R CA 1.981 57.556 56.100 -0.875 0.000 0.968 390 R CB -0.493 29.426 30.300 -0.636 0.000 0.861 390 R HN 0.762 nan 8.270 nan 0.000 0.440 391 D N -0.024 120.227 120.400 -0.249 0.000 2.178 391 D HA -0.179 4.461 4.640 -0.000 0.000 0.202 391 D C 1.488 177.734 176.300 -0.091 0.000 0.974 391 D CA 0.801 54.724 54.000 -0.129 0.000 0.841 391 D CB -0.326 40.409 40.800 -0.108 0.000 0.953 391 D HN 0.369 nan 8.370 nan 0.000 0.478 392 N N 1.246 119.884 118.700 -0.103 0.000 2.109 392 N HA -0.177 4.563 4.740 -0.000 0.000 0.188 392 N C 1.721 177.223 175.510 -0.014 0.000 1.034 392 N CA 1.006 54.017 53.050 -0.065 0.000 0.846 392 N CB 0.153 38.593 38.487 -0.078 0.000 1.010 392 N HN -0.060 nan 8.380 nan 0.000 0.425 393 E N 1.277 121.497 120.200 0.033 0.000 2.058 393 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 393 E C 1.839 178.481 176.600 0.071 0.000 0.997 393 E CA 1.343 57.802 56.400 0.099 0.000 0.801 393 E CB -0.290 29.557 29.700 0.245 0.000 0.746 393 E HN 0.459 nan 8.360 nan 0.000 0.450 394 E N -0.153 120.068 120.200 0.035 0.000 2.085 394 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 394 E C 2.148 178.762 176.600 0.023 0.000 0.994 394 E CA 0.983 57.400 56.400 0.029 0.000 0.801 394 E CB -0.206 29.493 29.700 -0.001 0.000 0.743 394 E HN 0.342 nan 8.360 nan 0.000 0.453 395 L N 1.051 122.277 121.223 0.005 0.000 2.017 395 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 395 L C 2.615 179.487 176.870 0.003 0.000 1.073 395 L CA 1.378 56.217 54.840 -0.002 0.000 0.745 395 L CB -0.397 41.652 42.059 -0.016 0.000 0.894 395 L HN 0.307 nan 8.230 nan 0.000 0.432 396 L N -2.426 118.807 121.223 0.016 0.000 2.109 396 L HA -0.097 4.243 4.340 -0.000 0.000 0.207 396 L C 2.565 179.449 176.870 0.024 0.000 1.086 396 L CA 1.409 56.258 54.840 0.015 0.000 0.760 396 L CB -1.746 40.337 42.059 0.039 0.000 0.910 396 L HN 0.091 nan 8.230 nan 0.000 0.437 397 C N 0.286 119.648 119.300 0.103 0.000 2.413 397 C HA -0.163 4.297 4.460 -0.000 0.000 0.277 397 C C 2.933 177.942 174.990 0.032 0.000 1.228 397 C CA 1.446 60.566 59.018 0.169 0.000 1.731 397 C CB -0.911 26.944 27.740 0.192 0.000 2.042 397 C HN 0.687 nan 8.230 nan 0.000 0.468 398 K N 0.961 121.372 120.400 0.018 0.000 2.057 398 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 398 K C 2.110 178.684 176.600 -0.042 0.000 1.049 398 K CA 1.638 57.921 56.287 -0.007 0.000 0.931 398 K CB -0.309 32.190 32.500 -0.001 0.000 0.714 398 K HN 0.416 nan 8.250 nan 0.000 0.440 399 A N 0.662 123.451 122.820 -0.053 0.000 1.877 399 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 399 A C 2.263 179.771 177.584 -0.127 0.000 1.186 399 A CA 1.787 53.782 52.037 -0.070 0.000 0.620 399 A CB -0.798 18.167 19.000 -0.058 0.000 0.822 399 A HN 0.176 nan 8.150 nan 0.000 0.443 400 V N 0.209 119.987 119.914 -0.227 0.000 2.255 400 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 400 V C 2.693 178.606 176.094 -0.301 0.000 1.051 400 V CA 2.374 64.428 62.300 -0.410 0.000 1.018 400 V CB -0.835 30.377 31.823 -1.019 0.000 0.641 400 V HN 0.528 nan 8.190 nan 0.000 0.445 401 R N -0.252 120.120 120.500 -0.214 0.000 2.096 401 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 401 R C 2.232 178.490 176.300 -0.071 0.000 1.127 401 R CA 1.325 57.362 56.100 -0.103 0.000 0.968 401 R CB -0.330 29.954 30.300 -0.026 0.000 0.861 401 R HN 0.576 nan 8.270 nan 0.000 0.440 402 E N 0.564 120.726 120.200 -0.064 0.000 2.208 402 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 402 E C 1.945 178.520 176.600 -0.043 0.000 0.988 402 E CA 0.972 57.348 56.400 -0.041 0.000 0.828 402 E CB -0.071 29.610 29.700 -0.032 0.000 0.763 402 E HN 0.315 nan 8.360 nan 0.000 0.478 403 A N 1.214 123.996 122.820 -0.063 0.000 1.855 403 A HA -0.180 4.140 4.320 -0.000 0.000 0.215 403 A C 2.639 180.194 177.584 -0.048 0.000 1.191 403 A CA 1.408 53.416 52.037 -0.048 0.000 0.613 403 A CB -1.001 17.962 19.000 -0.061 0.000 0.829 403 A HN 0.335 nan 8.150 nan 0.000 0.442 404 C N -0.491 118.761 119.300 -0.080 0.000 2.413 404 C HA -0.130 4.330 4.460 -0.000 0.000 0.277 404 C C 2.739 177.699 174.990 -0.051 0.000 1.228 404 C CA 1.420 60.384 59.018 -0.090 0.000 1.731 404 C CB -1.187 26.494 27.740 -0.097 0.000 2.042 404 C HN 0.627 nan 8.230 nan 0.000 0.468 405 K N 0.623 121.002 120.400 -0.035 0.000 2.044 405 K HA -0.193 4.127 4.320 -0.000 0.000 0.210 405 K C 2.371 178.971 176.600 -0.000 0.000 1.049 405 K CA 1.828 58.107 56.287 -0.014 0.000 0.927 405 K CB -0.441 32.052 32.500 -0.012 0.000 0.713 405 K HN 0.454 nan 8.250 nan 0.000 0.443 406 S N 0.422 116.119 115.700 -0.005 0.000 2.356 406 S HA -0.158 4.312 4.470 -0.000 0.000 0.223 406 S C 2.073 176.680 174.600 0.010 0.000 1.032 406 S CA 1.286 59.487 58.200 0.002 0.000 1.005 406 S CB -0.228 62.971 63.200 -0.003 0.000 0.867 406 S HN 0.385 nan 8.310 nan 0.000 0.449 407 A N 1.403 124.230 122.820 0.012 0.000 1.877 407 A HA 0.030 4.350 4.320 -0.000 0.000 0.216 407 A C 2.226 179.868 177.584 0.096 0.000 1.186 407 A CA 1.510 53.566 52.037 0.032 0.000 0.620 407 A CB -0.948 18.069 19.000 0.027 0.000 0.822 407 A HN 0.567 nan 8.150 nan 0.000 0.443 408 L N -0.684 120.602 121.223 0.105 0.000 2.081 408 L HA -0.255 4.085 4.340 -0.000 0.000 0.212 408 L C 3.017 180.010 176.870 0.205 0.000 1.080 408 L CA 1.120 56.066 54.840 0.176 0.000 0.754 408 L CB -0.412 41.672 42.059 0.042 0.000 0.893 408 L HN 0.459 nan 8.230 nan 0.000 0.433 409 A N -0.088 122.791 122.820 0.098 0.000 2.015 409 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 409 A C 2.364 179.984 177.584 0.059 0.000 1.163 409 A CA 1.400 53.479 52.037 0.070 0.000 0.646 409 A CB -1.062 17.959 19.000 0.034 0.000 0.806 409 A HN 0.459 nan 8.150 nan 0.000 0.448 410 G N -1.292 107.511 108.800 0.004 0.000 2.462 410 G HA2 -0.057 3.902 3.960 -0.000 0.000 0.220 410 G HA3 -0.057 3.902 3.960 -0.000 0.000 0.220 410 G C 0.540 175.341 174.900 -0.164 0.000 1.121 410 G CA 0.443 45.470 45.100 -0.121 0.000 0.758 410 G HN 0.504 nan 8.290 nan 0.000 0.559 411 Y N 0.322 120.649 120.300 0.045 0.000 2.336 411 Y HA 0.229 4.779 4.550 -0.000 0.000 0.331 411 Y C 1.662 177.609 175.900 0.078 0.000 1.211 411 Y CA -0.248 57.887 58.100 0.059 0.000 1.346 411 Y CB 0.633 39.091 38.460 -0.003 0.000 1.271 411 Y HN 0.325 nan 8.280 nan 0.000 0.538 412 H N -0.336 118.824 119.070 0.150 0.000 2.507 412 H HA 0.277 4.833 4.556 -0.000 0.000 0.294 412 H C -0.737 174.643 175.328 0.086 0.000 1.064 412 H CA 0.391 56.493 56.048 0.090 0.000 1.138 412 H CB -0.280 29.518 29.762 0.059 0.000 1.515 412 H HN 0.625 nan 8.280 nan 0.000 0.547 413 T N -1.675 112.766 114.554 -0.187 0.000 2.802 413 T HA 0.383 4.733 4.350 -0.000 0.000 0.311 413 T C -0.207 174.438 174.700 -0.092 0.000 1.405 413 T CA -0.554 61.437 62.100 -0.182 0.000 1.016 413 T CB 2.031 70.718 68.868 -0.301 0.000 1.352 413 T HN 0.280 nan 8.240 nan 0.000 0.498 414 T N -0.804 113.703 114.554 -0.078 0.000 2.943 414 T HA 0.592 4.942 4.350 -0.000 0.000 0.284 414 T C 1.582 176.226 174.700 -0.092 0.000 1.015 414 T CA -1.116 60.942 62.100 -0.072 0.000 1.042 414 T CB 0.627 69.469 68.868 -0.044 0.000 1.055 414 T HN 0.592 nan 8.240 nan 0.000 0.500 415 I N 0.617 121.124 120.570 -0.104 0.000 2.208 415 I HA -0.209 3.961 4.170 -0.000 0.000 0.245 415 I C 2.544 178.618 176.117 -0.071 0.000 1.097 415 I CA 1.579 62.814 61.300 -0.108 0.000 1.363 415 I CB -0.506 37.428 38.000 -0.109 0.000 1.051 415 I HN 0.733 nan 8.210 nan 0.000 0.413 416 E N 0.721 120.890 120.200 -0.053 0.000 2.097 416 E HA -0.272 4.078 4.350 -0.000 0.000 0.196 416 E C 2.188 178.769 176.600 -0.032 0.000 1.000 416 E CA 1.310 57.689 56.400 -0.035 0.000 0.804 416 E CB -0.214 29.471 29.700 -0.025 0.000 0.740 416 E HN 0.541 nan 8.360 nan 0.000 0.454 417 Q N 0.243 120.020 119.800 -0.039 0.000 2.083 417 Q HA -0.145 4.195 4.340 -0.000 0.000 0.198 417 Q C 1.649 177.628 176.000 -0.035 0.000 0.969 417 Q CA 1.185 56.967 55.803 -0.034 0.000 0.838 417 Q CB 0.017 28.730 28.738 -0.043 0.000 0.900 417 Q HN 0.312 nan 8.270 nan 0.000 0.436 418 D N 0.703 121.072 120.400 -0.051 0.000 2.092 418 D HA -0.151 4.489 4.640 -0.000 0.000 0.193 418 D C 1.890 178.175 176.300 -0.025 0.000 0.994 418 D CA 1.172 55.146 54.000 -0.043 0.000 0.828 418 D CB -0.147 40.613 40.800 -0.067 0.000 0.963 418 D HN 0.185 nan 8.370 nan 0.000 0.450 419 R N 0.670 121.153 120.500 -0.029 0.000 2.120 419 R HA -0.091 4.249 4.340 -0.000 0.000 0.234 419 R C 2.211 178.506 176.300 -0.007 0.000 1.123 419 R CA 0.751 56.842 56.100 -0.016 0.000 0.975 419 R CB -0.100 30.188 30.300 -0.020 0.000 0.866 419 R HN 0.324 nan 8.270 nan 0.000 0.446 420 E N 0.940 121.134 120.200 -0.009 0.000 2.107 420 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 420 E C 1.992 178.592 176.600 0.000 0.000 0.982 420 E CA 0.585 56.982 56.400 -0.004 0.000 0.809 420 E CB 0.088 29.785 29.700 -0.005 0.000 0.756 420 E HN 0.272 nan 8.360 nan 0.000 0.459 421 L N 0.919 122.142 121.223 -0.000 0.000 2.042 421 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 421 L C 2.445 179.321 176.870 0.010 0.000 1.076 421 L CA 1.411 56.255 54.840 0.006 0.000 0.749 421 L CB -0.199 41.864 42.059 0.006 0.000 0.893 421 L HN 0.055 nan 8.230 nan 0.000 0.432 422 K N -0.591 119.816 120.400 0.011 0.000 2.211 422 K HA -0.192 4.128 4.320 -0.000 0.000 0.203 422 K C 1.763 178.371 176.600 0.014 0.000 1.050 422 K CA 0.846 57.143 56.287 0.017 0.000 0.945 422 K CB -0.070 32.442 32.500 0.020 0.000 0.732 422 K HN 0.100 nan 8.250 nan 0.000 0.451 423 E N 0.689 120.895 120.200 0.009 0.000 2.472 423 E HA -0.023 4.327 4.350 -0.000 0.000 0.200 423 E C 0.673 177.278 176.600 0.008 0.000 1.046 423 E CA 0.296 56.701 56.400 0.008 0.000 0.871 423 E CB 0.035 29.739 29.700 0.006 0.000 0.806 423 E HN 0.369 nan 8.360 nan 0.000 0.533 424 G N -0.780 108.026 108.800 0.009 0.000 2.971 424 G HA2 0.216 4.176 3.960 -0.000 0.000 0.235 424 G HA3 0.216 4.176 3.960 -0.000 0.000 0.235 424 G C -0.506 174.399 174.900 0.009 0.000 1.351 424 G CA -0.729 44.376 45.100 0.008 0.000 1.039 424 G HN -0.030 nan 8.290 nan 0.000 0.563 425 N N 0.711 119.415 118.700 0.008 0.000 2.645 425 N HA 0.323 5.063 4.740 -0.000 0.000 0.233 425 N C -0.790 174.724 175.510 0.007 0.000 1.058 425 N CA -0.291 52.764 53.050 0.007 0.000 0.942 425 N CB 1.325 39.815 38.487 0.005 0.000 1.210 425 N HN 0.039 nan 8.380 nan 0.000 0.512 426 L N 1.437 122.667 121.223 0.010 0.000 2.399 426 L HA 0.270 4.610 4.340 -0.000 0.000 0.266 426 L C 1.071 177.943 176.870 0.003 0.000 1.114 426 L CA -0.397 54.448 54.840 0.008 0.000 0.804 426 L CB 0.726 42.796 42.059 0.018 0.000 1.146 426 L HN 0.474 nan 8.230 nan 0.000 0.451 427 D N 0.172 120.565 120.400 -0.011 0.000 2.348 427 D HA 0.123 4.763 4.640 -0.000 0.000 0.249 427 D C 0.546 176.834 176.300 -0.020 0.000 1.110 427 D CA -0.263 53.725 54.000 -0.020 0.000 0.967 427 D CB 1.268 42.042 40.800 -0.042 0.000 1.139 427 D HN 0.437 nan 8.370 nan 0.000 0.466 428 S N 1.227 116.922 115.700 -0.009 0.000 2.422 428 S HA -0.288 4.181 4.470 -0.000 0.000 0.248 428 S C 1.833 176.436 174.600 0.004 0.000 1.069 428 S CA 1.742 59.954 58.200 0.020 0.000 1.214 428 S CB -0.357 62.859 63.200 0.028 0.000 1.122 428 S HN 0.573 nan 8.310 nan 0.000 0.432 429 R N 0.184 120.604 120.500 -0.134 0.000 2.115 429 R HA 0.065 4.405 4.340 -0.000 0.000 0.226 429 R C 2.382 178.484 176.300 -0.330 0.000 1.100 429 R CA 0.881 56.760 56.100 -0.369 0.000 0.980 429 R CB -0.437 29.306 30.300 -0.928 0.000 0.875 429 R HN 0.307 nan 8.270 nan 0.000 0.445 430 L N 0.870 121.974 121.223 -0.199 0.000 2.093 430 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 430 L C 2.208 179.089 176.870 0.019 0.000 1.085 430 L CA 1.745 56.532 54.840 -0.087 0.000 0.755 430 L CB -0.629 41.396 42.059 -0.058 0.000 0.904 430 L HN 0.087 nan 8.230 nan 0.000 0.435 431 A N 0.206 123.044 122.820 0.031 0.000 1.865 431 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 431 A C 2.256 179.919 177.584 0.132 0.000 1.191 431 A CA 2.341 54.423 52.037 0.075 0.000 0.623 431 A CB -0.959 18.084 19.000 0.073 0.000 0.826 431 A HN 0.525 nan 8.150 nan 0.000 0.444 432 I N -0.282 120.402 120.570 0.190 0.000 2.099 432 I HA -0.317 3.853 4.170 -0.000 0.000 0.239 432 I C 3.036 179.342 176.117 0.316 0.000 1.066 432 I CA 1.203 62.675 61.300 0.286 0.000 1.324 432 I CB -0.716 37.557 38.000 0.456 0.000 1.037 432 I HN 0.382 nan 8.210 nan 0.000 0.401 433 A N 0.993 124.066 122.820 0.422 0.000 1.859 433 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 433 A C 2.454 180.173 177.584 0.225 0.000 1.209 433 A CA 2.604 54.877 52.037 0.395 0.000 0.639 433 A CB -1.303 17.926 19.000 0.382 0.000 0.835 433 A HN 0.246 nan 8.150 nan 0.000 0.450 434 V N -0.037 119.973 119.914 0.160 0.000 2.250 434 V HA -0.289 3.831 4.120 -0.000 0.000 0.250 434 V C 2.815 178.957 176.094 0.081 0.000 1.060 434 V CA 2.376 64.733 62.300 0.096 0.000 1.030 434 V CB -1.678 30.184 31.823 0.066 0.000 0.643 434 V HN 0.686 nan 8.190 nan 0.000 0.445 435 G N -0.421 108.447 108.800 0.112 0.000 2.422 435 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.218 435 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.218 435 G C 1.491 176.480 174.900 0.147 0.000 1.146 435 G CA 0.813 45.992 45.100 0.131 0.000 0.769 435 G HN 0.371 nan 8.290 nan 0.000 0.547 436 I N 1.982 122.641 120.570 0.148 0.000 2.142 436 I HA -0.152 4.018 4.170 -0.000 0.000 0.240 436 I C 3.024 179.171 176.117 0.050 0.000 1.078 436 I CA 1.655 63.032 61.300 0.129 0.000 1.343 436 I CB -0.937 37.143 38.000 0.133 0.000 1.046 436 I HN 0.375 nan 8.210 nan 0.000 0.405 437 R N 1.150 121.695 120.500 0.074 0.000 2.120 437 R HA -0.193 4.147 4.340 -0.000 0.000 0.234 437 R C 1.958 178.130 176.300 -0.214 0.000 1.123 437 R CA 1.645 57.762 56.100 0.027 0.000 0.975 437 R CB -0.773 29.620 30.300 0.154 0.000 0.866 437 R HN 0.445 nan 8.270 nan 0.000 0.446 438 E N 0.960 121.053 120.200 -0.178 0.000 2.077 438 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 438 E C 2.003 178.348 176.600 -0.425 0.000 0.989 438 E CA 1.504 57.750 56.400 -0.257 0.000 0.800 438 E CB -0.279 29.326 29.700 -0.158 0.000 0.746 438 E HN 0.556 nan 8.360 nan 0.000 0.452 439 G N 0.635 109.062 108.800 -0.623 0.000 2.422 439 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 439 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 439 G C 1.361 175.947 174.900 -0.525 0.000 1.140 439 G CA 0.566 44.948 45.100 -1.197 0.000 0.775 439 G HN 0.299 nan 8.290 nan 0.000 0.545 440 E N 0.447 120.476 120.200 -0.284 0.000 2.047 440 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 440 E C 2.510 178.947 176.600 -0.272 0.000 0.987 440 E CA 0.834 57.176 56.400 -0.096 0.000 0.799 440 E CB -0.064 29.711 29.700 0.125 0.000 0.752 440 E HN 0.363 nan 8.360 nan 0.000 0.449 441 K N 0.274 120.395 120.400 -0.466 0.000 2.103 441 K HA -0.125 4.195 4.320 -0.000 0.000 0.207 441 K C 2.175 178.621 176.600 -0.256 0.000 1.048 441 K CA 1.239 57.256 56.287 -0.451 0.000 0.930 441 K CB -0.124 32.070 32.500 -0.510 0.000 0.716 441 K HN 0.154 nan 8.250 nan 0.000 0.444 442 M N 0.390 119.841 119.600 -0.249 0.000 2.117 442 M HA -0.168 4.312 4.480 -0.000 0.000 0.262 442 M C 2.228 178.565 176.300 0.062 0.000 1.065 442 M CA 1.407 56.632 55.300 -0.126 0.000 1.114 442 M CB -0.193 32.202 32.600 -0.342 0.000 1.361 442 M HN -0.040 nan 8.290 nan 0.000 0.408 443 V N -0.005 119.929 119.914 0.033 0.000 2.379 443 V HA -0.217 3.903 4.120 -0.000 0.000 0.245 443 V C 2.287 178.379 176.094 -0.004 0.000 1.044 443 V CA 1.074 63.451 62.300 0.128 0.000 1.036 443 V CB -0.578 31.329 31.823 0.141 0.000 0.664 443 V HN 0.328 nan 8.190 nan 0.000 0.453 444 L N -0.089 121.035 121.223 -0.165 0.000 2.012 444 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 444 L C 2.516 179.323 176.870 -0.105 0.000 1.073 444 L CA 1.935 56.626 54.840 -0.249 0.000 0.748 444 L CB -1.145 40.709 42.059 -0.342 0.000 0.891 444 L HN 0.388 nan 8.230 nan 0.000 0.431 445 Q N -1.530 118.228 119.800 -0.070 0.000 2.119 445 Q HA -0.247 4.093 4.340 -0.000 0.000 0.201 445 Q C 2.234 178.250 176.000 0.027 0.000 0.972 445 Q CA 1.515 57.306 55.803 -0.020 0.000 0.847 445 Q CB -0.054 28.672 28.738 -0.020 0.000 0.903 445 Q HN 0.562 nan 8.270 nan 0.000 0.433 446 Q N 0.452 120.289 119.800 0.062 0.000 2.079 446 Q HA -0.161 4.179 4.340 -0.000 0.000 0.200 446 Q C 2.019 178.064 176.000 0.075 0.000 0.974 446 Q CA 1.001 56.842 55.803 0.064 0.000 0.840 446 Q CB 0.010 28.788 28.738 0.066 0.000 0.898 446 Q HN 0.409 nan 8.270 nan 0.000 0.430 447 I N 0.896 121.521 120.570 0.091 0.000 2.163 447 I HA -0.290 3.880 4.170 -0.000 0.000 0.243 447 I C 2.082 178.326 176.117 0.212 0.000 1.085 447 I CA 1.550 62.951 61.300 0.168 0.000 1.347 447 I CB -0.369 37.693 38.000 0.103 0.000 1.044 447 I HN 0.293 nan 8.210 nan 0.000 0.408 448 D N 0.891 121.346 120.400 0.091 0.000 2.123 448 D HA -0.160 4.480 4.640 -0.000 0.000 0.196 448 D C 2.157 178.525 176.300 0.113 0.000 0.992 448 D CA 1.667 55.714 54.000 0.078 0.000 0.833 448 D CB -0.214 40.596 40.800 0.017 0.000 0.954 448 D HN 0.300 nan 8.370 nan 0.000 0.455 449 G N -0.050 108.799 108.800 0.083 0.000 2.421 449 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.217 449 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.217 449 G C 1.809 176.742 174.900 0.055 0.000 1.143 449 G CA 0.460 45.594 45.100 0.058 0.000 0.784 449 G HN 0.349 nan 8.290 nan 0.000 0.541 450 I N -0.283 120.330 120.570 0.071 0.000 2.179 450 I HA -0.126 4.044 4.170 -0.000 0.000 0.242 450 I C 2.206 178.268 176.117 -0.092 0.000 1.088 450 I CA 1.024 62.311 61.300 -0.022 0.000 1.357 450 I CB -0.206 37.778 38.000 -0.028 0.000 1.051 450 I HN 0.074 nan 8.210 nan 0.000 0.409 451 F N 0.525 120.466 119.950 -0.014 0.000 2.558 451 F HA -0.071 4.456 4.527 -0.000 0.000 0.298 451 F C 2.454 178.248 175.800 -0.010 0.000 1.119 451 F CA 0.799 58.791 58.000 -0.013 0.000 1.451 451 F CB -0.294 38.697 39.000 -0.014 0.000 1.091 451 F HN 0.101 nan 8.300 nan 0.000 0.563 452 E N -0.123 120.158 120.200 0.134 0.000 2.107 452 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 452 E C 2.137 178.758 176.600 0.035 0.000 0.982 452 E CA 0.674 57.120 56.400 0.076 0.000 0.809 452 E CB 0.081 29.814 29.700 0.054 0.000 0.756 452 E HN 0.242 nan 8.360 nan 0.000 0.459 453 Q N 0.949 120.753 119.800 0.007 0.000 2.050 453 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 453 Q C 2.041 178.023 176.000 -0.030 0.000 0.980 453 Q CA 1.405 57.196 55.803 -0.019 0.000 0.840 453 Q CB -0.112 28.600 28.738 -0.043 0.000 0.898 453 Q HN 0.249 nan 8.270 nan 0.000 0.424 454 K N 0.472 120.838 120.400 -0.057 0.000 2.103 454 K HA -0.169 4.151 4.320 -0.000 0.000 0.207 454 K C 1.990 178.591 176.600 0.001 0.000 1.048 454 K CA 1.240 57.490 56.287 -0.062 0.000 0.930 454 K CB -0.031 32.390 32.500 -0.132 0.000 0.716 454 K HN 0.301 nan 8.250 nan 0.000 0.444 455 E N 0.699 120.917 120.200 0.031 0.000 2.110 455 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 455 E C 2.016 178.633 176.600 0.028 0.000 0.988 455 E CA 0.895 57.321 56.400 0.043 0.000 0.804 455 E CB -0.059 29.672 29.700 0.052 0.000 0.745 455 E HN 0.276 nan 8.360 nan 0.000 0.458 456 L N 0.694 121.927 121.223 0.016 0.000 2.093 456 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 456 L C 1.631 178.506 176.870 0.009 0.000 1.085 456 L CA 1.086 55.932 54.840 0.011 0.000 0.755 456 L CB -0.244 41.817 42.059 0.004 0.000 0.904 456 L HN 0.071 nan 8.230 nan 0.000 0.435 457 E N 0.014 120.215 120.200 0.001 0.000 2.403 457 E HA -0.042 4.308 4.350 -0.000 0.000 0.188 457 E C 1.593 178.203 176.600 0.017 0.000 1.056 457 E CA -0.281 56.117 56.400 -0.004 0.000 0.892 457 E CB 0.241 29.924 29.700 -0.029 0.000 1.049 457 E HN 0.187 nan 8.360 nan 0.000 0.465 458 L N 1.528 122.776 121.223 0.042 0.000 2.263 458 L HA -0.206 4.134 4.340 -0.000 0.000 0.216 458 L C 1.195 178.155 176.870 0.151 0.000 1.111 458 L CA 1.787 56.684 54.840 0.094 0.000 0.773 458 L CB -0.138 41.967 42.059 0.076 0.000 0.906 458 L HN 0.160 nan 8.230 nan 0.000 0.439 459 D N -2.336 118.122 120.400 0.097 0.000 2.398 459 D HA 0.003 4.643 4.640 -0.000 0.000 0.210 459 D C 1.478 177.823 176.300 0.075 0.000 1.094 459 D CA 0.066 54.136 54.000 0.118 0.000 0.839 459 D CB 0.363 41.205 40.800 0.070 0.000 0.963 459 D HN 0.482 nan 8.370 nan 0.000 0.506 460 Q N 0.276 120.090 119.800 0.025 0.000 2.424 460 Q HA 0.151 4.491 4.340 -0.000 0.000 0.204 460 Q C 0.667 176.623 176.000 -0.074 0.000 0.933 460 Q CA 0.284 56.076 55.803 -0.019 0.000 0.929 460 Q CB 0.802 29.523 28.738 -0.028 0.000 1.037 460 Q HN 0.227 nan 8.270 nan 0.000 0.511 461 L N 1.583 122.721 121.223 -0.141 0.000 2.371 461 L HA 0.154 4.494 4.340 -0.000 0.000 0.272 461 L C 0.127 176.755 176.870 -0.403 0.000 1.124 461 L CA -0.143 54.482 54.840 -0.359 0.000 0.816 461 L CB 0.863 42.518 42.059 -0.673 0.000 1.129 461 L HN 0.053 nan 8.230 nan 0.000 0.448 462 E N 2.896 122.902 120.200 -0.323 0.000 2.046 462 E HA 0.215 4.565 4.350 -0.000 0.000 0.279 462 E C -1.095 175.370 176.600 -0.225 0.000 0.989 462 E CA -0.296 55.999 56.400 -0.175 0.000 0.798 462 E CB 0.691 30.336 29.700 -0.092 0.000 1.086 462 E HN 0.312 nan 8.360 nan 0.000 0.399 463 Y N 0.579 120.880 120.300 0.001 0.000 2.230 463 Y HA -0.094 4.456 4.550 -0.000 0.000 0.354 463 Y C 1.623 177.548 175.900 0.041 0.000 1.343 463 Y CA -0.300 57.815 58.100 0.026 0.000 1.693 463 Y CB -0.014 38.463 38.460 0.027 0.000 1.553 463 Y HN 0.537 nan 8.280 nan 0.000 0.599 464 Y N 0.685 121.074 120.300 0.149 0.000 2.069 464 Y HA -0.368 4.181 4.550 -0.000 0.000 0.278 464 Y C 2.235 178.162 175.900 0.044 0.000 1.175 464 Y CA 2.258 60.379 58.100 0.034 0.000 1.134 464 Y CB -0.227 38.197 38.460 -0.061 0.000 0.965 464 Y HN 0.528 nan 8.280 nan 0.000 0.498 465 Q N 0.388 120.143 119.800 -0.075 0.000 2.020 465 Q HA -0.249 4.091 4.340 -0.000 0.000 0.202 465 Q C 2.350 178.260 176.000 -0.151 0.000 0.982 465 Q CA 2.020 57.717 55.803 -0.177 0.000 0.838 465 Q CB -0.794 27.948 28.738 0.005 0.000 0.899 465 Q HN 0.744 nan 8.270 nan 0.000 0.423 466 E N 0.630 120.811 120.200 -0.032 0.000 2.130 466 E HA -0.212 4.138 4.350 -0.000 0.000 0.196 466 E C 1.976 178.537 176.600 -0.065 0.000 0.998 466 E CA 1.092 57.478 56.400 -0.024 0.000 0.806 466 E CB 0.109 29.828 29.700 0.032 0.000 0.738 466 E HN 0.235 nan 8.360 nan 0.000 0.459 467 R N -0.024 120.423 120.500 -0.090 0.000 2.092 467 R HA -0.064 4.276 4.340 -0.000 0.000 0.231 467 R C 2.604 178.832 176.300 -0.121 0.000 1.119 467 R CA 0.783 56.834 56.100 -0.083 0.000 0.970 467 R CB -0.385 29.890 30.300 -0.042 0.000 0.864 467 R HN 0.090 nan 8.270 nan 0.000 0.440 468 R N 1.448 121.799 120.500 -0.247 0.000 2.103 468 R HA -0.118 4.222 4.340 -0.000 0.000 0.242 468 R C 1.374 177.609 176.300 -0.109 0.000 1.142 468 R CA 1.458 57.419 56.100 -0.230 0.000 0.960 468 R CB -0.210 29.869 30.300 -0.368 0.000 0.858 468 R HN 0.248 nan 8.270 nan 0.000 0.439 469 L N 0.956 122.123 121.223 -0.093 0.000 2.928 469 L HA 0.155 4.495 4.340 -0.000 0.000 0.246 469 L C 1.587 178.434 176.870 -0.037 0.000 1.239 469 L CA -0.293 54.515 54.840 -0.053 0.000 1.035 469 L CB 0.278 42.309 42.059 -0.048 0.000 1.360 469 L HN -0.176 nan 8.230 nan 0.000 0.529 470 K N 1.603 121.981 120.400 -0.036 0.000 2.362 470 K HA -0.135 4.185 4.320 -0.000 0.000 0.202 470 K C 0.158 176.748 176.600 -0.016 0.000 1.045 470 K CA 1.084 57.356 56.287 -0.024 0.000 0.936 470 K CB -0.048 32.440 32.500 -0.020 0.000 0.747 470 K HN 0.542 nan 8.250 nan 0.000 0.467 471 D N -1.384 119.007 120.400 -0.014 0.000 3.449 471 D HA 0.002 4.642 4.640 -0.000 0.000 0.262 471 D C 0.785 177.080 176.300 -0.008 0.000 1.343 471 D CA -0.191 53.803 54.000 -0.009 0.000 0.787 471 D CB -0.585 40.212 40.800 -0.006 0.000 1.412 471 D HN -0.088 nan 8.370 nan 0.000 0.652 472 L N 0.923 122.140 121.223 -0.010 0.000 2.187 472 L HA -0.008 4.332 4.340 -0.000 0.000 0.213 472 L C 1.736 178.604 176.870 -0.004 0.000 1.100 472 L CA 1.683 56.518 54.840 -0.008 0.000 0.765 472 L CB -0.456 41.597 42.059 -0.010 0.000 0.904 472 L HN 0.655 nan 8.230 nan 0.000 0.437 473 G N -0.624 108.174 108.800 -0.004 0.000 2.212 473 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.255 473 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.255 473 G C 0.706 175.606 174.900 -0.000 0.000 1.062 473 G CA 0.333 45.432 45.100 -0.001 0.000 0.815 473 G HN 0.289 nan 8.290 nan 0.000 0.497 474 L N -0.904 120.318 121.223 -0.001 0.000 1.971 474 L HA -0.139 4.201 4.340 -0.000 0.000 0.215 474 L C 2.430 179.300 176.870 0.001 0.000 1.072 474 L CA 1.840 56.680 54.840 -0.000 0.000 0.758 474 L CB -0.803 41.255 42.059 -0.002 0.000 0.889 474 L HN 0.444 nan 8.230 nan 0.000 0.433 475 C N 1.490 120.790 119.300 0.001 0.000 3.684 475 C HA 0.221 4.681 4.460 -0.000 0.000 0.584 475 C C 1.689 176.681 174.990 0.002 0.000 1.130 475 C CA -0.370 58.649 59.018 0.001 0.000 1.194 475 C CB -2.306 25.434 27.740 0.000 0.000 1.457 475 C HN 0.521 nan 8.230 nan 0.000 0.647 476 G N 1.410 110.212 108.800 0.004 0.000 3.142 476 G HA2 0.344 4.304 3.960 -0.000 0.000 0.178 476 G HA3 0.344 4.304 3.960 -0.000 0.000 0.178 476 G C 0.258 175.161 174.900 0.005 0.000 1.941 476 G CA 0.098 45.201 45.100 0.005 0.000 0.902 476 G HN 0.646 nan 8.290 nan 0.000 0.517 477 E N -1.253 118.951 120.200 0.008 0.000 2.504 477 E HA 0.405 4.755 4.350 -0.000 0.000 0.235 477 E C -1.091 175.515 176.600 0.010 0.000 0.827 477 E CA -0.864 55.540 56.400 0.008 0.000 0.903 477 E CB 0.924 30.628 29.700 0.008 0.000 1.622 477 E HN 0.164 nan 8.360 nan 0.000 0.392 478 N N -0.577 118.129 118.700 0.010 0.000 3.044 478 N HA 0.225 4.965 4.740 -0.000 0.000 0.254 478 N C 0.505 176.025 175.510 0.018 0.000 1.253 478 N CA 0.139 53.197 53.050 0.013 0.000 0.944 478 N CB 0.657 39.150 38.487 0.009 0.000 1.217 478 N HN 0.664 nan 8.380 nan 0.000 0.498 479 G N 0.860 109.676 108.800 0.027 0.000 2.499 479 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.221 479 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.221 479 G C 1.159 176.089 174.900 0.050 0.000 1.109 479 G CA 0.377 45.502 45.100 0.042 0.000 0.749 479 G HN 0.468 nan 8.290 nan 0.000 0.568 480 D N 0.629 121.055 120.400 0.043 0.000 2.158 480 D HA -0.104 4.536 4.640 -0.000 0.000 0.197 480 D C 2.480 178.801 176.300 0.035 0.000 0.995 480 D CA 0.622 54.652 54.000 0.051 0.000 0.846 480 D CB -0.086 40.741 40.800 0.045 0.000 0.941 480 D HN 0.403 nan 8.370 nan 0.000 0.456 481 I N 0.214 120.789 120.570 0.009 0.000 2.493 481 I HA -0.189 3.981 4.170 -0.000 0.000 0.254 481 I C 2.292 178.363 176.117 -0.077 0.000 1.160 481 I CA 0.367 61.652 61.300 -0.024 0.000 1.445 481 I CB 0.031 38.016 38.000 -0.024 0.000 1.086 481 I HN 0.010 nan 8.210 nan 0.000 0.433 482 L N 0.014 121.204 121.223 -0.055 0.000 2.127 482 L HA -0.066 4.274 4.340 -0.000 0.000 0.203 482 L C 2.557 179.329 176.870 -0.165 0.000 1.080 482 L CA 0.676 55.438 54.840 -0.130 0.000 0.768 482 L CB -0.440 41.624 42.059 0.009 0.000 0.924 482 L HN 0.154 nan 8.230 nan 0.000 0.444 483 E N 0.367 120.623 120.200 0.093 0.000 2.171 483 E HA -0.263 4.087 4.350 -0.000 0.000 0.197 483 E C 1.589 178.140 176.600 -0.083 0.000 0.997 483 E CA 1.303 57.842 56.400 0.232 0.000 0.810 483 E CB -0.514 29.295 29.700 0.182 0.000 0.738 483 E HN 0.449 nan 8.360 nan 0.000 0.467 484 N N 0.101 118.665 118.700 -0.227 0.000 2.459 484 N HA -0.034 4.705 4.740 -0.000 0.000 0.181 484 N C 1.041 176.062 175.510 -0.816 0.000 1.046 484 N CA 0.384 53.119 53.050 -0.525 0.000 0.904 484 N CB 0.075 38.485 38.487 -0.128 0.000 0.964 484 N HN 0.110 nan 8.380 nan 0.000 0.444 485 L N -0.361 120.472 121.223 -0.649 0.000 2.848 485 L HA 0.191 4.531 4.340 -0.000 0.000 0.240 485 L C 0.139 176.581 176.870 -0.714 0.000 1.232 485 L CA -0.079 54.394 54.840 -0.612 0.000 1.031 485 L CB -0.065 41.697 42.059 -0.495 0.000 1.338 485 L HN 0.162 nan 8.230 nan 0.000 0.509 486 Y N -0.899 119.131 120.300 -0.451 0.000 2.678 486 Y HA 0.160 4.710 4.550 -0.000 0.000 0.274 486 Y C 1.261 177.055 175.900 -0.178 0.000 1.114 486 Y CA -0.997 56.953 58.100 -0.250 0.000 1.274 486 Y CB -0.224 38.142 38.460 -0.156 0.000 1.438 486 Y HN 0.067 nan 8.280 nan 0.000 0.493 487 F N 0.000 120.048 119.950 0.164 0.000 2.286 487 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 487 F CA 0.000 58.054 58.000 0.089 0.000 1.383 487 F CB 0.000 39.040 39.000 0.067 0.000 1.145 487 F HN 0.000 nan 8.300 nan 0.000 0.574