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 2ib8_1_D DATA FIRST_RESID 35 DATA SEQUENCE SKPTLKEVVI VSATRTPIGS FLGSLSLLPA TKLGSIAIQG AIEKAGIPKE DATA SEQUENCE EVKEAYMGNV LQGGEGQAPT RQAVLGAGLP ISTPCTTINK VCASGMKAIM DATA SEQUENCE MASQSLMCGH QDVMVAGGME SMSNVPYVMN RGSTPYGGVK LEDLIVKDGL DATA SEQUENCE TDVYNKIHMG SCAENTAKKL NIARNEQDAY AINSYTRSKA AWEAGKFGNE DATA SEQUENCE VIPVTVTVKG QPDVVVKEDE EYKRVDFSKV PKLKTVFQKE NGTVTAANAS DATA SEQUENCE TLNDGAAALV LMTADAAKRL NVTPLARIVA FADAAVEPID FPIAPVYAAS DATA SEQUENCE MVLKDVGLKK EDIAMWEVNE AFSLVVLANI KMLEIDPQKV NINGGAVSLG DATA SEQUENCE HPIGMSGARI VGHLTHALKQ GEYGLASICN GGGGASAMLI QKL 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 35 S HA 0.000 nan 4.470 nan 0.000 0.327 35 S C 0.000 174.594 174.600 -0.009 0.000 1.055 35 S CA 0.000 58.196 58.200 -0.007 0.000 1.107 35 S CB 0.000 63.197 63.200 -0.006 0.000 0.593 36 K N 2.534 122.926 120.400 -0.013 0.000 2.174 36 K HA 0.541 4.861 4.320 -0.000 0.000 0.275 36 K C -2.112 174.479 176.600 -0.016 0.000 1.015 36 K CA -1.608 54.669 56.287 -0.017 0.000 0.933 36 K CB 0.255 32.742 32.500 -0.022 0.000 1.025 36 K HN 0.561 nan 8.250 nan 0.000 0.463 37 P HA 0.024 nan 4.420 nan 0.000 0.269 37 P C -0.773 176.515 177.300 -0.019 0.000 1.215 37 P CA -0.255 62.836 63.100 -0.016 0.000 0.780 37 P CB 0.462 32.152 31.700 -0.017 0.000 0.898 38 T N 2.552 117.096 114.554 -0.017 0.000 2.733 38 T HA 0.466 4.816 4.350 -0.000 0.000 0.294 38 T C 0.281 174.968 174.700 -0.022 0.000 0.956 38 T CA -0.336 61.753 62.100 -0.018 0.000 0.987 38 T CB 0.025 68.885 68.868 -0.013 0.000 0.920 38 T HN 0.189 nan 8.240 nan 0.000 0.470 39 L N 2.501 123.709 121.223 -0.025 0.000 2.322 39 L HA 0.561 4.901 4.340 -0.000 0.000 0.269 39 L C 0.559 177.416 176.870 -0.023 0.000 1.012 39 L CA -1.360 53.462 54.840 -0.028 0.000 0.815 39 L CB 1.343 43.383 42.059 -0.031 0.000 1.295 39 L HN 0.342 nan 8.230 nan 0.000 0.438 40 K N 1.105 121.491 120.400 -0.023 0.000 2.295 40 K HA 0.128 4.447 4.320 -0.000 0.000 0.270 40 K C -0.278 176.318 176.600 -0.007 0.000 1.011 40 K CA -0.307 55.971 56.287 -0.015 0.000 0.953 40 K CB 0.925 33.414 32.500 -0.017 0.000 0.956 40 K HN 0.517 nan 8.250 nan 0.000 0.477 41 E N 1.991 122.188 120.200 -0.005 0.000 2.338 41 E HA 0.117 4.467 4.350 -0.000 0.000 0.272 41 E C -1.153 175.451 176.600 0.007 0.000 1.029 41 E CA -0.524 55.877 56.400 0.001 0.000 0.872 41 E CB 0.915 30.613 29.700 -0.003 0.000 1.015 41 E HN 0.152 nan 8.360 nan 0.000 0.417 42 V N 5.654 125.581 119.914 0.021 0.000 2.417 42 V HA 0.330 4.450 4.120 -0.000 0.000 0.291 42 V C -0.109 175.997 176.094 0.019 0.000 1.024 42 V CA -0.672 61.644 62.300 0.026 0.000 0.861 42 V CB 1.336 33.193 31.823 0.057 0.000 0.985 42 V HN 0.586 nan 8.190 nan 0.000 0.436 43 V N 3.086 123.002 119.914 0.003 0.000 2.864 43 V HA 0.684 4.804 4.120 -0.000 0.000 0.314 43 V C -0.445 175.640 176.094 -0.015 0.000 1.073 43 V CA -0.954 61.341 62.300 -0.008 0.000 0.956 43 V CB 2.039 33.851 31.823 -0.017 0.000 1.023 43 V HN 0.644 nan 8.190 nan 0.000 0.435 44 I N 2.976 123.530 120.570 -0.027 0.000 2.325 44 I HA 0.299 4.469 4.170 -0.000 0.000 0.291 44 I C 0.788 176.877 176.117 -0.048 0.000 1.019 44 I CA -0.204 61.073 61.300 -0.039 0.000 1.302 44 I CB 1.768 39.735 38.000 -0.055 0.000 1.401 44 I HN 0.506 nan 8.210 nan 0.000 0.485 45 V N 3.969 123.861 119.914 -0.037 0.000 3.431 45 V HA 0.090 4.210 4.120 -0.000 0.000 0.253 45 V C 0.507 176.584 176.094 -0.028 0.000 1.184 45 V CA 0.612 62.893 62.300 -0.031 0.000 1.104 45 V CB 0.048 31.860 31.823 -0.019 0.000 0.799 45 V HN 0.885 nan 8.190 nan 0.000 0.462 46 S N -0.607 115.076 115.700 -0.027 0.000 2.552 46 S HA 0.820 5.290 4.470 -0.000 0.000 0.272 46 S C -1.004 173.597 174.600 0.001 0.000 1.150 46 S CA -0.080 58.118 58.200 -0.003 0.000 0.849 46 S CB 2.185 65.405 63.200 0.033 0.000 1.113 46 S HN 0.695 nan 8.310 nan 0.000 0.458 47 A N 1.589 124.443 122.820 0.056 0.000 2.446 47 A HA 0.791 5.111 4.320 -0.000 0.000 0.282 47 A C -0.488 177.259 177.584 0.271 0.000 1.102 47 A CA -0.601 51.508 52.037 0.120 0.000 0.737 47 A CB 1.208 20.233 19.000 0.043 0.000 1.212 47 A HN 0.900 nan 8.150 nan 0.000 0.434 48 T N 2.021 116.669 114.554 0.157 0.000 2.893 48 T HA 0.809 5.159 4.350 -0.000 0.000 0.291 48 T C -0.176 174.582 174.700 0.096 0.000 1.028 48 T CA -0.696 61.480 62.100 0.127 0.000 0.995 48 T CB 1.690 70.613 68.868 0.091 0.000 1.051 48 T HN 0.964 nan 8.240 nan 0.000 0.470 49 R N -0.568 119.983 120.500 0.085 0.000 2.799 49 R HA 0.769 5.109 4.340 -0.000 0.000 0.270 49 R C -0.485 175.855 176.300 0.067 0.000 1.010 49 R CA -1.012 55.130 56.100 0.071 0.000 0.916 49 R CB 0.766 31.108 30.300 0.069 0.000 1.228 49 R HN 0.661 nan 8.270 nan 0.000 0.469 50 T N -0.961 113.627 114.554 0.057 0.000 2.849 50 T HA 0.420 4.770 4.350 -0.000 0.000 0.284 50 T C -2.185 172.555 174.700 0.067 0.000 1.004 50 T CA -1.676 60.458 62.100 0.056 0.000 1.021 50 T CB 0.921 69.813 68.868 0.040 0.000 1.013 50 T HN 0.384 nan 8.240 nan 0.000 0.527 51 P HA 0.259 nan 4.420 nan 0.000 0.269 51 P C -0.507 176.816 177.300 0.037 0.000 1.217 51 P CA -0.306 62.834 63.100 0.068 0.000 0.783 51 P CB 0.256 31.965 31.700 0.015 0.000 0.898 52 I N 0.834 121.424 120.570 0.034 0.000 2.331 52 I HA 0.369 4.539 4.170 -0.000 0.000 0.292 52 I C 1.111 177.234 176.117 0.010 0.000 0.998 52 I CA -0.109 61.209 61.300 0.029 0.000 1.267 52 I CB 1.065 39.089 38.000 0.041 0.000 1.386 52 I HN 0.313 nan 8.210 nan 0.000 0.476 53 G N 3.890 112.698 108.800 0.015 0.000 2.412 53 G HA2 0.450 4.410 3.960 -0.000 0.000 0.318 53 G HA3 0.450 4.410 3.960 -0.000 0.000 0.318 53 G C -0.435 174.486 174.900 0.036 0.000 1.146 53 G CA -0.304 44.799 45.100 0.006 0.000 0.882 53 G HN 0.553 nan 8.290 nan 0.000 0.501 54 S N -0.336 115.383 115.700 0.031 0.000 2.632 54 S HA 0.303 4.773 4.470 -0.000 0.000 0.267 54 S C -0.211 174.463 174.600 0.123 0.000 1.276 54 S CA -0.399 57.848 58.200 0.078 0.000 0.998 54 S CB 0.805 64.037 63.200 0.052 0.000 0.953 54 S HN 0.439 nan 8.310 nan 0.000 0.547 55 F N 2.647 122.598 119.950 0.002 0.000 2.557 55 F HA 0.158 4.685 4.527 -0.000 0.000 0.384 55 F C 0.918 176.717 175.800 -0.000 0.000 1.057 55 F CA -0.236 57.765 58.000 0.002 0.000 1.169 55 F CB -0.892 38.115 39.000 0.011 0.000 1.070 55 F HN 0.521 nan 8.300 nan 0.000 0.554 56 L N 4.305 125.258 121.223 -0.451 0.000 4.232 56 L HA -0.294 4.046 4.340 -0.000 0.000 0.415 56 L C 1.023 177.794 176.870 -0.165 0.000 1.168 56 L CA 0.489 55.101 54.840 -0.380 0.000 0.966 56 L CB -2.290 39.478 42.059 -0.485 0.000 2.052 56 L HN 0.806 nan 8.230 nan 0.000 0.887 57 G N -0.204 108.540 108.800 -0.093 0.000 2.882 57 G HA2 0.361 4.321 3.960 -0.000 0.000 0.164 57 G HA3 0.361 4.321 3.960 -0.000 0.000 0.164 57 G C 1.042 175.911 174.900 -0.052 0.000 1.429 57 G CA 0.432 45.501 45.100 -0.053 0.000 1.059 57 G HN 0.312 nan 8.290 nan 0.000 0.581 58 S N -0.878 114.795 115.700 -0.045 0.000 2.423 58 S HA 0.041 4.511 4.470 -0.000 0.000 0.231 58 S C 1.816 176.394 174.600 -0.037 0.000 1.014 58 S CA 0.932 59.105 58.200 -0.046 0.000 0.965 58 S CB -0.190 62.978 63.200 -0.054 0.000 0.785 58 S HN 0.256 nan 8.310 nan 0.000 0.495 59 L N 1.861 123.067 121.223 -0.030 0.000 2.808 59 L HA 0.264 4.604 4.340 -0.000 0.000 0.246 59 L C 2.126 178.981 176.870 -0.025 0.000 1.153 59 L CA 0.399 55.226 54.840 -0.021 0.000 0.956 59 L CB 0.055 42.109 42.059 -0.009 0.000 1.270 59 L HN 0.426 nan 8.230 nan 0.000 0.528 60 S N -0.131 115.544 115.700 -0.042 0.000 2.442 60 S HA -0.124 4.346 4.470 -0.000 0.000 0.236 60 S C 1.678 176.248 174.600 -0.051 0.000 1.007 60 S CA 0.817 58.980 58.200 -0.060 0.000 0.965 60 S CB -0.354 62.780 63.200 -0.109 0.000 0.773 60 S HN 0.463 nan 8.310 nan 0.000 0.504 61 L N 0.264 121.463 121.223 -0.040 0.000 2.478 61 L HA 0.276 4.616 4.340 -0.000 0.000 0.223 61 L C 0.362 177.219 176.870 -0.021 0.000 1.140 61 L CA 0.325 55.146 54.840 -0.031 0.000 0.842 61 L CB -0.329 41.714 42.059 -0.028 0.000 0.953 61 L HN 0.277 nan 8.230 nan 0.000 0.452 62 L N 1.415 122.628 121.223 -0.017 0.000 2.282 62 L HA 0.382 4.722 4.340 -0.000 0.000 0.288 62 L C -2.057 174.809 176.870 -0.006 0.000 1.033 62 L CA -2.026 52.809 54.840 -0.009 0.000 0.807 62 L CB 1.225 43.281 42.059 -0.005 0.000 1.209 62 L HN -0.209 nan 8.230 nan 0.000 0.423 63 P HA 0.059 nan 4.420 nan 0.000 0.272 63 P C 0.303 177.604 177.300 0.002 0.000 1.230 63 P CA -0.314 62.785 63.100 -0.002 0.000 0.788 63 P CB 1.104 32.804 31.700 -0.001 0.000 0.949 64 A N 2.269 125.091 122.820 0.002 0.000 1.917 64 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 64 A C 2.109 179.698 177.584 0.007 0.000 1.182 64 A CA 2.987 55.026 52.037 0.005 0.000 0.633 64 A CB -2.211 16.789 19.000 0.001 0.000 0.819 64 A HN 0.701 nan 8.150 nan 0.000 0.448 65 T N -2.085 112.472 114.554 0.006 0.000 2.788 65 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 65 T C 1.824 176.530 174.700 0.010 0.000 1.044 65 T CA 1.784 63.889 62.100 0.009 0.000 1.139 65 T CB -0.224 68.649 68.868 0.007 0.000 0.867 65 T HN 0.390 nan 8.240 nan 0.000 0.454 66 K N 1.436 121.841 120.400 0.008 0.000 2.026 66 K HA 0.133 4.453 4.320 -0.000 0.000 0.208 66 K C 2.209 178.816 176.600 0.011 0.000 1.048 66 K CA 1.170 57.462 56.287 0.008 0.000 0.929 66 K CB -0.876 31.627 32.500 0.005 0.000 0.713 66 K HN 0.476 nan 8.250 nan 0.000 0.439 67 L N -0.411 120.820 121.223 0.012 0.000 2.046 67 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 67 L C 2.451 179.333 176.870 0.020 0.000 1.077 67 L CA 1.424 56.274 54.840 0.016 0.000 0.747 67 L CB -1.078 40.990 42.059 0.016 0.000 0.896 67 L HN 0.442 nan 8.230 nan 0.000 0.432 68 G N -0.482 108.330 108.800 0.019 0.000 2.476 68 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.218 68 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.218 68 G C 1.738 176.650 174.900 0.021 0.000 1.164 68 G CA 1.162 46.275 45.100 0.021 0.000 0.768 68 G HN 0.366 nan 8.290 nan 0.000 0.560 69 S N 0.423 116.134 115.700 0.018 0.000 2.382 69 S HA -0.049 4.421 4.470 -0.000 0.000 0.228 69 S C 2.290 176.902 174.600 0.019 0.000 1.027 69 S CA 1.030 59.240 58.200 0.017 0.000 0.991 69 S CB -0.211 62.997 63.200 0.014 0.000 0.823 69 S HN 0.404 nan 8.310 nan 0.000 0.469 70 I N 1.536 122.118 120.570 0.020 0.000 2.202 70 I HA -0.191 3.979 4.170 -0.000 0.000 0.242 70 I C 2.688 178.823 176.117 0.029 0.000 1.091 70 I CA 1.117 62.431 61.300 0.023 0.000 1.368 70 I CB -0.481 37.533 38.000 0.023 0.000 1.058 70 I HN 0.261 nan 8.210 nan 0.000 0.410 71 A N 0.995 123.834 122.820 0.031 0.000 1.902 71 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 71 A C 2.306 179.911 177.584 0.035 0.000 1.181 71 A CA 1.456 53.516 52.037 0.038 0.000 0.623 71 A CB -0.804 18.220 19.000 0.040 0.000 0.818 71 A HN 0.371 nan 8.150 nan 0.000 0.443 72 I N -0.779 119.808 120.570 0.029 0.000 2.226 72 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 72 I C 2.820 178.950 176.117 0.022 0.000 1.100 72 I CA 1.804 63.119 61.300 0.024 0.000 1.374 72 I CB -0.328 37.684 38.000 0.019 0.000 1.057 72 I HN 0.524 nan 8.210 nan 0.000 0.413 73 Q N 0.921 120.734 119.800 0.022 0.000 2.079 73 Q HA -0.157 4.183 4.340 -0.000 0.000 0.200 73 Q C 2.248 178.263 176.000 0.025 0.000 0.974 73 Q CA 1.832 57.647 55.803 0.020 0.000 0.840 73 Q CB -0.301 28.448 28.738 0.019 0.000 0.898 73 Q HN 0.541 nan 8.270 nan 0.000 0.430 74 G N 0.641 109.460 108.800 0.031 0.000 2.553 74 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.218 74 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.218 74 G C 1.469 176.393 174.900 0.041 0.000 1.195 74 G CA 1.330 46.453 45.100 0.038 0.000 0.779 74 G HN 0.531 nan 8.290 nan 0.000 0.577 75 A N 0.650 123.495 122.820 0.042 0.000 1.908 75 A HA -0.035 4.285 4.320 -0.000 0.000 0.218 75 A C 2.384 179.987 177.584 0.031 0.000 1.181 75 A CA 1.749 53.812 52.037 0.043 0.000 0.627 75 A CB -0.306 18.717 19.000 0.039 0.000 0.818 75 A HN 0.325 nan 8.150 nan 0.000 0.445 76 I N -0.032 120.552 120.570 0.022 0.000 2.142 76 I HA -0.221 3.949 4.170 -0.000 0.000 0.240 76 I C 2.326 178.453 176.117 0.017 0.000 1.078 76 I CA 1.645 62.954 61.300 0.015 0.000 1.343 76 I CB -1.883 36.124 38.000 0.011 0.000 1.046 76 I HN 0.456 nan 8.210 nan 0.000 0.405 77 E N 0.899 121.112 120.200 0.021 0.000 2.070 77 E HA -0.279 4.071 4.350 -0.000 0.000 0.197 77 E C 2.182 178.796 176.600 0.024 0.000 1.004 77 E CA 1.594 58.006 56.400 0.021 0.000 0.805 77 E CB -0.098 29.615 29.700 0.023 0.000 0.744 77 E HN 0.260 nan 8.360 nan 0.000 0.451 78 K N 0.503 120.922 120.400 0.033 0.000 2.063 78 K HA -0.120 4.200 4.320 -0.000 0.000 0.208 78 K C 1.839 178.459 176.600 0.032 0.000 1.048 78 K CA 1.306 57.617 56.287 0.040 0.000 0.928 78 K CB -0.266 32.271 32.500 0.061 0.000 0.713 78 K HN 0.136 nan 8.250 nan 0.000 0.442 79 A N -0.582 122.254 122.820 0.025 0.000 2.067 79 A HA 0.106 4.426 4.320 -0.000 0.000 0.219 79 A C 1.455 179.045 177.584 0.010 0.000 1.158 79 A CA 1.270 53.316 52.037 0.015 0.000 0.661 79 A CB -0.713 18.292 19.000 0.008 0.000 0.801 79 A HN 0.461 nan 8.150 nan 0.000 0.452 80 G N -0.631 108.176 108.800 0.012 0.000 2.176 80 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.252 80 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.252 80 G C 0.114 175.017 174.900 0.005 0.000 1.024 80 G CA 0.455 45.560 45.100 0.009 0.000 0.755 80 G HN 1.433 nan 8.290 nan 0.000 0.507 81 I N -2.750 117.823 120.570 0.004 0.000 2.797 81 I HA 0.836 5.006 4.170 -0.000 0.000 0.307 81 I C -2.227 173.892 176.117 0.002 0.000 1.033 81 I CA -3.326 57.975 61.300 0.002 0.000 1.071 81 I CB 1.671 39.671 38.000 -0.001 0.000 1.255 81 I HN -0.128 nan 8.210 nan 0.000 0.445 82 P HA 0.226 nan 4.420 nan 0.000 0.271 82 P C -0.152 177.149 177.300 0.001 0.000 1.218 82 P CA -0.390 62.711 63.100 0.002 0.000 0.780 82 P CB 0.756 32.457 31.700 0.001 0.000 0.901 83 K N 1.632 122.033 120.400 0.002 0.000 2.113 83 K HA -0.185 4.135 4.320 -0.000 0.000 0.208 83 K C 1.617 178.216 176.600 -0.001 0.000 1.047 83 K CA 1.396 57.684 56.287 0.001 0.000 0.928 83 K CB -0.033 32.468 32.500 0.003 0.000 0.716 83 K HN 0.590 nan 8.250 nan 0.000 0.446 84 E N 0.856 121.055 120.200 -0.001 0.000 2.409 84 E HA -0.191 4.160 4.350 -0.000 0.000 0.198 84 E C 1.230 177.828 176.600 -0.004 0.000 1.024 84 E CA 0.851 57.250 56.400 -0.002 0.000 0.861 84 E CB -0.055 29.645 29.700 -0.001 0.000 0.788 84 E HN 0.303 nan 8.360 nan 0.000 0.521 85 E N 1.046 121.243 120.200 -0.005 0.000 2.208 85 E HA 0.005 4.355 4.350 -0.000 0.000 0.193 85 E C 0.498 177.091 176.600 -0.012 0.000 0.988 85 E CA 0.208 56.604 56.400 -0.007 0.000 0.828 85 E CB 0.161 29.857 29.700 -0.006 0.000 0.763 85 E HN 0.083 nan 8.360 nan 0.000 0.478 86 V N 3.191 123.097 119.914 -0.014 0.000 2.479 86 V HA -0.032 4.088 4.120 -0.000 0.000 0.281 86 V C 1.356 177.435 176.094 -0.025 0.000 1.031 86 V CA 0.299 62.586 62.300 -0.023 0.000 1.038 86 V CB 1.011 32.821 31.823 -0.022 0.000 0.981 86 V HN 0.014 nan 8.190 nan 0.000 0.478 87 K N 3.140 123.519 120.400 -0.035 0.000 2.242 87 K HA 0.242 4.562 4.320 -0.000 0.000 0.200 87 K C 0.589 177.165 176.600 -0.040 0.000 1.050 87 K CA 0.493 56.761 56.287 -0.031 0.000 0.981 87 K CB 0.617 33.100 32.500 -0.028 0.000 0.795 87 K HN 0.824 nan 8.250 nan 0.000 0.477 88 E N -1.113 119.043 120.200 -0.072 0.000 2.388 88 E HA 0.529 4.879 4.350 -0.000 0.000 0.280 88 E C -2.009 174.501 176.600 -0.150 0.000 1.019 88 E CA -0.568 55.773 56.400 -0.097 0.000 0.806 88 E CB 1.950 31.572 29.700 -0.130 0.000 1.246 88 E HN 0.013 nan 8.360 nan 0.000 0.443 89 A N 2.445 125.203 122.820 -0.103 0.000 2.393 89 A HA 0.707 5.027 4.320 -0.000 0.000 0.306 89 A C -1.996 175.645 177.584 0.097 0.000 1.050 89 A CA -0.507 51.492 52.037 -0.063 0.000 0.724 89 A CB 0.910 19.912 19.000 0.003 0.000 1.248 89 A HN 0.427 nan 8.150 nan 0.000 0.424 90 Y N 1.773 122.071 120.300 -0.003 0.000 2.361 90 Y HA 0.666 5.216 4.550 0.000 0.000 0.337 90 Y C -0.145 175.750 175.900 -0.009 0.000 0.965 90 Y CA -1.864 56.232 58.100 -0.008 0.000 1.091 90 Y CB 1.945 40.396 38.460 -0.015 0.000 1.182 90 Y HN 0.517 nan 8.280 nan 0.000 0.450 91 M N 2.391 122.078 119.600 0.145 0.000 2.326 91 M HA 0.450 4.930 4.480 -0.000 0.000 0.306 91 M C 0.382 176.704 176.300 0.037 0.000 1.054 91 M CA -0.821 54.524 55.300 0.074 0.000 0.922 91 M CB 1.928 34.559 32.600 0.052 0.000 1.632 91 M HN 0.783 nan 8.290 nan 0.000 0.436 92 G N 2.137 110.953 108.800 0.026 0.000 2.442 92 G HA2 0.383 4.343 3.960 -0.000 0.000 0.249 92 G HA3 0.383 4.343 3.960 -0.000 0.000 0.249 92 G C -0.351 174.548 174.900 -0.002 0.000 1.263 92 G CA -0.282 44.820 45.100 0.003 0.000 0.846 92 G HN 0.875 nan 8.290 nan 0.000 0.555 93 N N 1.530 120.220 118.700 -0.016 0.000 3.063 93 N HA 0.040 4.780 4.740 -0.000 0.000 0.242 93 N C 0.235 175.725 175.510 -0.033 0.000 1.146 93 N CA -0.680 52.358 53.050 -0.021 0.000 0.974 93 N CB 1.390 39.870 38.487 -0.012 0.000 1.584 93 N HN 0.142 nan 8.380 nan 0.000 0.636 94 V N 3.013 122.900 119.914 -0.046 0.000 2.599 94 V HA 0.115 4.235 4.120 -0.000 0.000 0.245 94 V C 0.782 176.842 176.094 -0.056 0.000 1.046 94 V CA 0.894 63.160 62.300 -0.057 0.000 1.065 94 V CB -0.050 31.725 31.823 -0.080 0.000 0.703 94 V HN 0.584 nan 8.190 nan 0.000 0.464 95 L N 0.780 121.971 121.223 -0.054 0.000 2.426 95 L HA 0.365 4.705 4.340 -0.000 0.000 0.255 95 L C 0.821 177.669 176.870 -0.037 0.000 1.080 95 L CA 0.081 54.891 54.840 -0.051 0.000 0.960 95 L CB 0.874 42.897 42.059 -0.061 0.000 1.326 95 L HN 0.186 nan 8.230 nan 0.000 0.441 96 Q N 1.183 120.964 119.800 -0.031 0.000 2.424 96 Q HA 0.113 4.453 4.340 -0.000 0.000 0.204 96 Q C 1.312 177.301 176.000 -0.018 0.000 0.933 96 Q CA -0.029 55.761 55.803 -0.022 0.000 0.929 96 Q CB 0.525 29.251 28.738 -0.020 0.000 1.037 96 Q HN 0.732 nan 8.270 nan 0.000 0.511 97 G N 0.213 109.000 108.800 -0.021 0.000 2.254 97 G HA2 0.268 4.228 3.960 -0.000 0.000 0.253 97 G HA3 0.268 4.228 3.960 -0.000 0.000 0.253 97 G C 0.874 175.768 174.900 -0.011 0.000 1.246 97 G CA 0.312 45.403 45.100 -0.016 0.000 0.946 97 G HN 0.353 nan 8.290 nan 0.000 0.474 98 G N 1.978 110.775 108.800 -0.004 0.000 2.179 98 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.260 98 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.260 98 G C 0.869 175.768 174.900 -0.001 0.000 0.977 98 G CA 0.605 45.705 45.100 0.000 0.000 0.641 98 G HN 0.697 nan 8.290 nan 0.000 0.533 99 E N 0.434 120.632 120.200 -0.004 0.000 2.482 99 E HA 0.375 4.725 4.350 -0.000 0.000 0.196 99 E C 1.572 178.172 176.600 -0.000 0.000 1.047 99 E CA 0.412 56.811 56.400 -0.002 0.000 0.869 99 E CB 0.056 29.754 29.700 -0.004 0.000 0.836 99 E HN 1.594 nan 8.360 nan 0.000 0.520 100 G N 1.685 110.485 108.800 0.000 0.000 2.756 100 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.678 100 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.678 100 G C -0.661 174.240 174.900 0.001 0.000 1.349 100 G CA -0.636 44.465 45.100 0.002 0.000 0.847 100 G HN 0.197 nan 8.290 nan 0.000 0.548 101 Q N 0.120 119.922 119.800 0.002 0.000 2.364 101 Q HA 0.473 4.813 4.340 -0.000 0.000 0.267 101 Q C 1.054 177.056 176.000 0.004 0.000 0.999 101 Q CA 0.756 56.560 55.803 0.003 0.000 0.886 101 Q CB 0.364 29.104 28.738 0.003 0.000 1.243 101 Q HN 2.482 nan 8.270 nan 0.000 0.415 102 A N 4.690 127.513 122.820 0.004 0.000 2.136 102 A HA -0.140 4.180 4.320 -0.000 0.000 0.274 102 A C -1.974 175.616 177.584 0.009 0.000 1.388 102 A CA 0.160 52.201 52.037 0.007 0.000 0.741 102 A CB -1.229 17.777 19.000 0.011 0.000 1.173 102 A HN 0.803 nan 8.150 nan 0.000 0.329 103 P HA -0.193 nan 4.420 nan 0.000 0.216 103 P C 1.818 179.127 177.300 0.015 0.000 1.157 103 P CA 2.193 65.297 63.100 0.008 0.000 0.880 103 P CB -0.048 31.654 31.700 0.003 0.000 0.791 104 T N -0.908 113.659 114.554 0.021 0.000 2.788 104 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 104 T C 1.895 176.613 174.700 0.031 0.000 1.044 104 T CA 1.511 63.631 62.100 0.033 0.000 1.139 104 T CB -0.503 68.397 68.868 0.053 0.000 0.867 104 T HN 0.032 nan 8.240 nan 0.000 0.454 105 R N 1.281 121.797 120.500 0.027 0.000 2.081 105 R HA -0.059 4.281 4.340 -0.000 0.000 0.235 105 R C 2.453 178.764 176.300 0.017 0.000 1.131 105 R CA 1.564 57.677 56.100 0.023 0.000 0.960 105 R CB -0.412 29.900 30.300 0.020 0.000 0.856 105 R HN 0.486 nan 8.270 nan 0.000 0.436 106 Q N -0.622 119.187 119.800 0.015 0.000 2.030 106 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 106 Q C 2.167 178.175 176.000 0.013 0.000 0.986 106 Q CA 1.876 57.686 55.803 0.012 0.000 0.843 106 Q CB -0.320 28.424 28.738 0.010 0.000 0.904 106 Q HN 0.481 nan 8.270 nan 0.000 0.420 107 A N 0.394 123.223 122.820 0.015 0.000 1.883 107 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 107 A C 2.360 179.953 177.584 0.016 0.000 1.186 107 A CA 1.649 53.696 52.037 0.016 0.000 0.624 107 A CB -0.829 18.183 19.000 0.020 0.000 0.822 107 A HN 0.226 nan 8.150 nan 0.000 0.444 108 V N -0.046 119.879 119.914 0.018 0.000 2.307 108 V HA -0.231 3.889 4.120 -0.000 0.000 0.245 108 V C 2.561 178.662 176.094 0.012 0.000 1.045 108 V CA 1.952 64.261 62.300 0.015 0.000 1.024 108 V CB -0.690 31.143 31.823 0.017 0.000 0.651 108 V HN 0.566 nan 8.190 nan 0.000 0.449 109 L N 0.303 121.533 121.223 0.012 0.000 2.141 109 L HA -0.038 4.302 4.340 -0.000 0.000 0.209 109 L C 2.581 179.457 176.870 0.009 0.000 1.094 109 L CA 1.484 56.330 54.840 0.010 0.000 0.763 109 L CB -1.045 41.019 42.059 0.009 0.000 0.908 109 L HN 0.487 nan 8.230 nan 0.000 0.437 110 G N -0.384 108.422 108.800 0.010 0.000 2.470 110 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.220 110 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.220 110 G C 1.492 176.397 174.900 0.010 0.000 1.121 110 G CA 0.706 45.811 45.100 0.009 0.000 0.766 110 G HN 0.461 nan 8.290 nan 0.000 0.553 111 A N -0.423 122.403 122.820 0.011 0.000 2.275 111 A HA 0.498 4.818 4.320 -0.000 0.000 0.212 111 A C 1.881 179.470 177.584 0.010 0.000 1.201 111 A CA 1.126 53.170 52.037 0.011 0.000 0.843 111 A CB -0.338 18.669 19.000 0.013 0.000 0.873 111 A HN 1.510 nan 8.150 nan 0.000 0.492 112 G N -1.164 107.641 108.800 0.008 0.000 2.147 112 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.244 112 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.244 112 G C -0.091 174.812 174.900 0.006 0.000 1.005 112 G CA 0.261 45.365 45.100 0.007 0.000 0.713 112 G HN 0.338 nan 8.290 nan 0.000 0.515 113 L N 0.653 121.880 121.223 0.006 0.000 2.453 113 L HA 0.517 4.857 4.340 -0.000 0.000 0.261 113 L C -1.378 175.494 176.870 0.004 0.000 1.179 113 L CA -1.624 53.218 54.840 0.004 0.000 0.813 113 L CB 0.083 42.145 42.059 0.003 0.000 1.110 113 L HN -0.074 nan 8.230 nan 0.000 0.466 114 P HA 0.027 nan 4.420 nan 0.000 0.267 114 P C 0.831 178.133 177.300 0.004 0.000 1.200 114 P CA 0.030 63.132 63.100 0.003 0.000 0.772 114 P CB 0.291 31.992 31.700 0.001 0.000 0.855 115 I N 0.125 120.698 120.570 0.005 0.000 2.850 115 I HA -0.173 3.997 4.170 -0.000 0.000 0.266 115 I C 1.366 177.486 176.117 0.006 0.000 1.257 115 I CA 1.484 62.787 61.300 0.006 0.000 1.465 115 I CB -0.917 37.087 38.000 0.005 0.000 1.091 115 I HN 0.180 nan 8.210 nan 0.000 0.467 116 S N -0.650 115.052 115.700 0.004 0.000 2.603 116 S HA 0.094 4.564 4.470 -0.000 0.000 0.220 116 S C 0.862 175.465 174.600 0.005 0.000 0.967 116 S CA -0.201 58.001 58.200 0.004 0.000 0.920 116 S CB -0.935 62.267 63.200 0.003 0.000 0.773 116 S HN 0.431 nan 8.310 nan 0.000 0.529 117 T N 5.276 119.833 114.554 0.005 0.000 2.738 117 T HA 0.386 4.736 4.350 -0.000 0.000 0.294 117 T C -2.655 172.052 174.700 0.013 0.000 0.914 117 T CA -1.091 61.011 62.100 0.004 0.000 1.052 117 T CB 0.746 69.615 68.868 0.001 0.000 0.897 117 T HN 0.226 nan 8.240 nan 0.000 0.522 118 P HA 0.354 nan 4.420 nan 0.000 0.271 118 P C -0.788 176.545 177.300 0.056 0.000 1.216 118 P CA -0.485 62.636 63.100 0.036 0.000 0.776 118 P CB 0.425 32.150 31.700 0.042 0.000 0.881 119 C N 1.616 120.961 119.300 0.075 0.000 2.626 119 C HA 0.725 5.185 4.460 -0.000 0.000 0.310 119 C C -0.368 174.692 174.990 0.117 0.000 1.191 119 C CA -0.192 58.888 59.018 0.103 0.000 1.517 119 C CB 1.774 29.553 27.740 0.064 0.000 2.102 119 C HN 0.497 nan 8.230 nan 0.000 0.479 120 T N 1.686 116.338 114.554 0.163 0.000 2.971 120 T HA 0.482 4.832 4.350 -0.000 0.000 0.304 120 T C -0.586 174.128 174.700 0.024 0.000 1.038 120 T CA -0.295 61.842 62.100 0.061 0.000 1.007 120 T CB 1.715 70.558 68.868 -0.042 0.000 1.055 120 T HN 0.652 nan 8.240 nan 0.000 0.451 121 T N 4.116 118.661 114.554 -0.015 0.000 2.767 121 T HA 0.551 4.901 4.350 -0.000 0.000 0.284 121 T C -0.096 174.569 174.700 -0.058 0.000 0.973 121 T CA -0.690 61.399 62.100 -0.019 0.000 0.996 121 T CB 0.380 69.242 68.868 -0.009 0.000 0.927 121 T HN 0.327 nan 8.240 nan 0.000 0.456 122 I N 3.685 124.221 120.570 -0.057 0.000 2.441 122 I HA 0.432 4.602 4.170 -0.000 0.000 0.295 122 I C 0.056 176.142 176.117 -0.051 0.000 0.994 122 I CA -0.913 60.340 61.300 -0.079 0.000 1.144 122 I CB 1.622 39.564 38.000 -0.096 0.000 1.314 122 I HN 0.557 nan 8.210 nan 0.000 0.445 123 N N 5.218 123.888 118.700 -0.051 0.000 2.617 123 N HA 0.189 4.929 4.740 -0.000 0.000 0.263 123 N C -0.517 174.972 175.510 -0.035 0.000 1.074 123 N CA -0.273 52.753 53.050 -0.041 0.000 0.841 123 N CB 0.952 39.415 38.487 -0.039 0.000 1.221 123 N HN 0.569 nan 8.380 nan 0.000 0.529 124 K N 3.931 124.314 120.400 -0.029 0.000 2.981 124 K HA 0.233 4.553 4.320 -0.000 0.000 0.213 124 K C 0.220 176.809 176.600 -0.019 0.000 1.154 124 K CA -0.395 55.881 56.287 -0.018 0.000 1.111 124 K CB -0.164 32.330 32.500 -0.010 0.000 0.975 124 K HN 0.319 nan 8.250 nan 0.000 0.462 125 V N -1.326 118.568 119.914 -0.034 0.000 0.690 125 V HA -0.578 3.542 4.120 -0.000 0.000 0.092 125 V C 1.678 177.747 176.094 -0.040 0.000 0.781 125 V CA 1.752 64.021 62.300 -0.052 0.000 3.099 125 V CB -1.745 30.037 31.823 -0.068 0.000 0.189 125 V HN 0.622 nan 8.190 nan 0.000 0.087 126 C N 1.039 120.319 119.300 -0.034 0.000 2.419 126 C HA 0.243 4.703 4.460 -0.000 0.000 0.283 126 C C 2.618 177.644 174.990 0.060 0.000 1.373 126 C CA 0.782 59.815 59.018 0.024 0.000 1.781 126 C CB -2.045 25.739 27.740 0.074 0.000 1.886 126 C HN 1.124 nan 8.230 nan 0.000 0.520 127 A N 0.775 123.615 122.820 0.034 0.000 2.251 127 A HA 0.104 4.424 4.320 -0.000 0.000 0.209 127 A C 2.095 179.691 177.584 0.019 0.000 1.187 127 A CA 0.924 52.983 52.037 0.037 0.000 0.823 127 A CB -0.433 18.590 19.000 0.037 0.000 0.846 127 A HN 0.509 nan 8.150 nan 0.000 0.486 128 S N 0.239 115.943 115.700 0.007 0.000 2.374 128 S HA -0.152 4.318 4.470 -0.000 0.000 0.227 128 S C 2.073 176.674 174.600 0.001 0.000 1.037 128 S CA 1.480 59.676 58.200 -0.006 0.000 1.024 128 S CB -0.567 62.623 63.200 -0.016 0.000 0.861 128 S HN 0.754 nan 8.310 nan 0.000 0.456 129 G N 0.920 109.730 108.800 0.016 0.000 2.432 129 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.219 129 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.219 129 G C 1.365 176.274 174.900 0.015 0.000 1.135 129 G CA 0.872 45.985 45.100 0.023 0.000 0.767 129 G HN 0.455 nan 8.290 nan 0.000 0.550 130 M N -0.378 119.229 119.600 0.011 0.000 2.193 130 M HA 0.164 4.644 4.480 -0.000 0.000 0.265 130 M C 2.476 178.746 176.300 -0.051 0.000 1.071 130 M CA 1.469 56.764 55.300 -0.009 0.000 1.140 130 M CB 0.055 32.661 32.600 0.011 0.000 1.369 130 M HN 0.137 nan 8.290 nan 0.000 0.423 131 K N 0.996 121.373 120.400 -0.038 0.000 2.103 131 K HA -0.064 4.256 4.320 -0.000 0.000 0.207 131 K C 1.692 178.251 176.600 -0.069 0.000 1.048 131 K CA 1.839 58.088 56.287 -0.064 0.000 0.930 131 K CB -0.636 31.841 32.500 -0.039 0.000 0.716 131 K HN 0.436 nan 8.250 nan 0.000 0.444 132 A N 0.597 123.402 122.820 -0.026 0.000 1.883 132 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 132 A C 2.251 179.878 177.584 0.070 0.000 1.186 132 A CA 1.913 53.976 52.037 0.042 0.000 0.624 132 A CB -0.695 18.346 19.000 0.068 0.000 0.822 132 A HN 0.351 nan 8.150 nan 0.000 0.444 133 I N -0.899 119.659 120.570 -0.019 0.000 2.252 133 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 133 I C 2.729 178.729 176.117 -0.196 0.000 1.102 133 I CA 1.597 62.856 61.300 -0.068 0.000 1.385 133 I CB -0.349 37.609 38.000 -0.071 0.000 1.064 133 I HN 0.340 nan 8.210 nan 0.000 0.414 134 M N -0.304 119.073 119.600 -0.371 0.000 2.080 134 M HA -0.255 4.225 4.480 -0.000 0.000 0.260 134 M C 2.416 178.456 176.300 -0.434 0.000 1.068 134 M CA 2.067 56.855 55.300 -0.853 0.000 1.109 134 M CB -0.412 31.686 32.600 -0.837 0.000 1.342 134 M HN 0.191 nan 8.290 nan 0.000 0.405 135 M N -0.395 119.130 119.600 -0.126 0.000 2.175 135 M HA -0.088 4.392 4.480 -0.000 0.000 0.264 135 M C 2.452 178.915 176.300 0.272 0.000 1.063 135 M CA 1.480 56.827 55.300 0.077 0.000 1.119 135 M CB -0.550 32.063 32.600 0.021 0.000 1.377 135 M HN 0.369 nan 8.290 nan 0.000 0.415 136 A N -0.196 122.780 122.820 0.259 0.000 1.930 136 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 136 A C 2.297 179.885 177.584 0.008 0.000 1.175 136 A CA 1.982 54.039 52.037 0.032 0.000 0.627 136 A CB -0.744 18.190 19.000 -0.110 0.000 0.815 136 A HN 0.420 nan 8.150 nan 0.000 0.443 137 S N -0.212 115.487 115.700 -0.002 0.000 2.368 137 S HA -0.224 4.246 4.470 -0.000 0.000 0.225 137 S C 2.088 176.775 174.600 0.145 0.000 1.030 137 S CA 1.653 59.892 58.200 0.064 0.000 0.999 137 S CB -0.333 62.919 63.200 0.086 0.000 0.844 137 S HN 0.715 nan 8.310 nan 0.000 0.459 138 Q N 0.539 120.444 119.800 0.174 0.000 2.084 138 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 138 Q C 2.464 178.513 176.000 0.082 0.000 0.978 138 Q CA 1.455 57.364 55.803 0.176 0.000 0.844 138 Q CB -0.301 28.556 28.738 0.198 0.000 0.898 138 Q HN 0.493 nan 8.270 nan 0.000 0.426 139 S N 0.477 116.234 115.700 0.094 0.000 2.356 139 S HA -0.122 4.348 4.470 -0.000 0.000 0.223 139 S C 1.897 176.489 174.600 -0.014 0.000 1.032 139 S CA 0.913 59.154 58.200 0.068 0.000 1.005 139 S CB -0.177 63.086 63.200 0.104 0.000 0.867 139 S HN 0.289 nan 8.310 nan 0.000 0.449 140 L N 0.637 121.858 121.223 -0.003 0.000 2.017 140 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 140 L C 2.806 179.657 176.870 -0.031 0.000 1.073 140 L CA 1.548 56.379 54.840 -0.016 0.000 0.745 140 L CB -0.545 41.511 42.059 -0.005 0.000 0.894 140 L HN 0.373 nan 8.230 nan 0.000 0.432 141 M N -1.068 118.525 119.600 -0.012 0.000 2.106 141 M HA -0.272 4.208 4.480 -0.000 0.000 0.259 141 M C 2.379 178.627 176.300 -0.086 0.000 1.068 141 M CA 1.573 56.859 55.300 -0.023 0.000 1.100 141 M CB -0.697 31.914 32.600 0.018 0.000 1.351 141 M HN 0.380 nan 8.290 nan 0.000 0.404 142 C N 0.240 119.432 119.300 -0.179 0.000 2.449 142 C HA 0.054 4.514 4.460 -0.000 0.000 0.283 142 C C 1.787 176.562 174.990 -0.358 0.000 1.453 142 C CA 0.801 59.593 59.018 -0.377 0.000 1.779 142 C CB -1.675 25.578 27.740 -0.811 0.000 1.779 142 C HN 0.885 nan 8.230 nan 0.000 0.546 143 G N -0.369 108.316 108.800 -0.191 0.000 2.160 143 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.251 143 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.251 143 G C 0.288 175.210 174.900 0.037 0.000 1.008 143 G CA 0.713 45.776 45.100 -0.061 0.000 0.724 143 G HN 0.755 nan 8.290 nan 0.000 0.514 144 H N -0.842 118.236 119.070 0.014 0.000 2.502 144 H HA 0.162 4.718 4.556 -0.000 0.000 0.283 144 H C 1.186 176.513 175.328 -0.000 0.000 1.015 144 H CA 1.029 57.084 56.048 0.012 0.000 1.298 144 H CB 0.301 30.078 29.762 0.024 0.000 1.411 144 H HN 0.379 nan 8.280 nan 0.000 0.556 145 Q N 0.307 120.164 119.800 0.095 0.000 2.456 145 Q HA 0.051 4.391 4.340 -0.000 0.000 0.284 145 Q C -0.317 175.688 176.000 0.008 0.000 1.061 145 Q CA -0.314 55.508 55.803 0.031 0.000 0.799 145 Q CB 2.148 30.881 28.738 -0.008 0.000 1.445 145 Q HN 0.346 nan 8.270 nan 0.000 0.411 146 D N -1.112 119.287 120.400 -0.002 0.000 2.380 146 D HA 0.092 4.732 4.640 -0.000 0.000 0.212 146 D C 0.280 176.569 176.300 -0.018 0.000 1.021 146 D CA 0.402 54.397 54.000 -0.008 0.000 0.884 146 D CB 0.777 41.575 40.800 -0.003 0.000 1.001 146 D HN 0.139 nan 8.370 nan 0.000 0.506 147 V N 0.786 120.684 119.914 -0.026 0.000 2.668 147 V HA 0.503 4.623 4.120 -0.000 0.000 0.304 147 V C -0.550 175.510 176.094 -0.057 0.000 1.071 147 V CA -0.602 61.678 62.300 -0.035 0.000 0.894 147 V CB 1.879 33.686 31.823 -0.025 0.000 1.008 147 V HN 0.062 nan 8.190 nan 0.000 0.425 148 M N 3.460 123.016 119.600 -0.073 0.000 2.618 148 M HA 0.696 5.176 4.480 -0.000 0.000 0.281 148 M C -1.412 174.835 176.300 -0.089 0.000 1.267 148 M CA -0.897 54.336 55.300 -0.113 0.000 0.845 148 M CB 2.840 35.322 32.600 -0.196 0.000 1.732 148 M HN 0.352 nan 8.290 nan 0.000 0.461 149 V N 1.276 121.136 119.914 -0.091 0.000 2.459 149 V HA 0.906 5.026 4.120 -0.000 0.000 0.295 149 V C -0.510 175.551 176.094 -0.055 0.000 1.029 149 V CA -0.571 61.698 62.300 -0.052 0.000 0.874 149 V CB 1.434 33.243 31.823 -0.024 0.000 0.985 149 V HN 0.917 nan 8.190 nan 0.000 0.438 150 A N 3.007 125.814 122.820 -0.021 0.000 2.475 150 A HA 1.049 5.369 4.320 -0.000 0.000 0.301 150 A C 0.018 177.620 177.584 0.029 0.000 1.059 150 A CA 0.116 52.163 52.037 0.017 0.000 0.710 150 A CB 2.122 21.128 19.000 0.011 0.000 1.288 150 A HN 1.463 nan 8.150 nan 0.000 0.408 151 G N -0.625 108.203 108.800 0.047 0.000 2.435 151 G HA2 0.711 4.671 3.960 -0.000 0.000 0.228 151 G HA3 0.711 4.671 3.960 -0.000 0.000 0.228 151 G C -0.329 174.595 174.900 0.040 0.000 1.198 151 G CA 0.431 45.555 45.100 0.040 0.000 0.948 151 G HN 2.009 nan 8.290 nan 0.000 0.487 152 G N -0.690 108.131 108.800 0.036 0.000 2.698 152 G HA2 0.752 4.712 3.960 -0.000 0.000 0.293 152 G HA3 0.752 4.712 3.960 -0.000 0.000 0.293 152 G C -0.778 174.137 174.900 0.025 0.000 1.437 152 G CA 0.032 45.150 45.100 0.029 0.000 0.852 152 G HN 1.519 nan 8.290 nan 0.000 0.499 153 M N -0.280 119.329 119.600 0.015 0.000 2.413 153 M HA 0.905 5.385 4.480 -0.000 0.000 0.287 153 M C -1.795 174.505 176.300 0.000 0.000 1.186 153 M CA -0.948 54.359 55.300 0.012 0.000 0.927 153 M CB 2.804 35.413 32.600 0.014 0.000 1.715 153 M HN 0.463 nan 8.290 nan 0.000 0.478 154 E N 0.875 121.075 120.200 -0.000 0.000 2.347 154 E HA 0.473 4.823 4.350 -0.000 0.000 0.285 154 E C -1.936 174.665 176.600 0.002 0.000 0.925 154 E CA -0.150 56.243 56.400 -0.011 0.000 0.779 154 E CB 2.476 32.155 29.700 -0.035 0.000 1.233 154 E HN 0.719 nan 8.360 nan 0.000 0.414 155 S N 5.054 120.757 115.700 0.005 0.000 2.532 155 S HA 0.286 4.756 4.470 -0.000 0.000 0.256 155 S C 0.644 175.268 174.600 0.039 0.000 1.298 155 S CA -0.383 57.830 58.200 0.021 0.000 1.166 155 S CB 0.113 63.320 63.200 0.011 0.000 1.022 155 S HN 0.703 nan 8.310 nan 0.000 0.480 156 M N 1.988 121.633 119.600 0.076 0.000 2.296 156 M HA -0.031 4.449 4.480 -0.000 0.000 0.265 156 M C 2.185 178.656 176.300 0.285 0.000 1.064 156 M CA 0.946 56.327 55.300 0.133 0.000 1.109 156 M CB -0.354 32.300 32.600 0.091 0.000 1.396 156 M HN 0.535 nan 8.290 nan 0.000 0.430 157 S N 0.865 116.683 115.700 0.196 0.000 2.400 157 S HA -0.072 4.398 4.470 -0.000 0.000 0.232 157 S C 1.400 175.979 174.600 -0.035 0.000 1.025 157 S CA 1.055 59.232 58.200 -0.038 0.000 0.993 157 S CB -0.296 62.827 63.200 -0.129 0.000 0.808 157 S HN 0.502 nan 8.310 nan 0.000 0.478 158 N N 0.993 119.696 118.700 0.006 0.000 2.230 158 N HA 0.142 4.882 4.740 -0.000 0.000 0.202 158 N C -0.475 175.032 175.510 -0.006 0.000 1.119 158 N CA 0.077 53.123 53.050 -0.007 0.000 0.851 158 N CB 0.573 39.054 38.487 -0.010 0.000 0.990 158 N HN 0.154 nan 8.380 nan 0.000 0.497 159 V N 4.248 124.163 119.914 0.001 0.000 2.521 159 V HA 0.113 4.233 4.120 -0.000 0.000 0.286 159 V C -1.487 174.547 176.094 -0.100 0.000 1.034 159 V CA -0.733 61.543 62.300 -0.040 0.000 1.045 159 V CB 0.820 32.616 31.823 -0.045 0.000 0.974 159 V HN 0.132 nan 8.190 nan 0.000 0.480 160 P HA 0.383 nan 4.420 nan 0.000 0.284 160 P C -1.277 175.903 177.300 -0.201 0.000 1.292 160 P CA -0.604 62.445 63.100 -0.085 0.000 0.800 160 P CB 0.823 32.528 31.700 0.009 0.000 1.188 161 Y N -1.193 119.119 120.300 0.020 0.000 2.403 161 Y HA 0.434 4.984 4.550 0.000 0.000 0.323 161 Y C 0.696 176.601 175.900 0.009 0.000 1.226 161 Y CA -0.459 57.651 58.100 0.017 0.000 1.235 161 Y CB 1.341 39.811 38.460 0.017 0.000 1.248 161 Y HN 0.101 nan 8.280 nan 0.000 0.489 162 V N 0.634 120.644 119.914 0.160 0.000 2.680 162 V HA 0.640 4.760 4.120 -0.000 0.000 0.309 162 V C -0.692 175.447 176.094 0.074 0.000 1.052 162 V CA -1.169 61.184 62.300 0.087 0.000 0.908 162 V CB 1.874 33.724 31.823 0.044 0.000 1.001 162 V HN 0.861 nan 8.190 nan 0.000 0.431 163 M N 3.563 123.193 119.600 0.049 0.000 2.311 163 M HA 0.517 4.997 4.480 -0.000 0.000 0.325 163 M C -0.363 175.951 176.300 0.023 0.000 1.061 163 M CA -0.334 54.985 55.300 0.032 0.000 0.957 163 M CB 1.357 33.972 32.600 0.024 0.000 1.646 163 M HN 0.912 nan 8.290 nan 0.000 0.434 164 N N 3.219 121.930 118.700 0.018 0.000 2.492 164 N HA 0.102 4.842 4.740 -0.000 0.000 0.260 164 N C -0.593 174.924 175.510 0.012 0.000 1.215 164 N CA -0.181 52.877 53.050 0.014 0.000 0.923 164 N CB 0.749 39.243 38.487 0.012 0.000 1.092 164 N HN 0.553 nan 8.380 nan 0.000 0.448 165 R N 1.184 121.690 120.500 0.010 0.000 2.537 165 R HA 0.298 4.638 4.340 -0.000 0.000 0.280 165 R C 0.425 176.730 176.300 0.010 0.000 1.058 165 R CA 0.517 56.623 56.100 0.009 0.000 1.057 165 R CB 0.133 30.437 30.300 0.008 0.000 0.973 165 R HN 0.804 nan 8.270 nan 0.000 0.438 166 G N 1.316 110.122 108.800 0.010 0.000 2.270 166 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.268 166 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.268 166 G C -1.305 173.603 174.900 0.013 0.000 1.312 166 G CA -0.708 44.398 45.100 0.011 0.000 1.050 166 G HN 0.574 nan 8.290 nan 0.000 0.474 167 S N 0.817 116.526 115.700 0.015 0.000 2.548 167 S HA 0.550 5.020 4.470 -0.000 0.000 0.277 167 S C 0.834 175.447 174.600 0.021 0.000 1.315 167 S CA 0.444 58.655 58.200 0.019 0.000 1.050 167 S CB 0.843 64.056 63.200 0.022 0.000 0.918 167 S HN 1.391 nan 8.310 nan 0.000 0.497 168 T N 2.606 117.173 114.554 0.022 0.000 2.799 168 T HA 0.360 4.710 4.350 -0.000 0.000 0.296 168 T C -2.526 172.195 174.700 0.035 0.000 0.947 168 T CA -1.423 60.689 62.100 0.020 0.000 1.141 168 T CB -0.160 68.716 68.868 0.014 0.000 0.891 168 T HN 0.238 nan 8.240 nan 0.000 0.533 169 P HA 0.188 nan 4.420 nan 0.000 0.279 169 P C -0.589 176.753 177.300 0.071 0.000 1.239 169 P CA -0.798 62.337 63.100 0.058 0.000 0.789 169 P CB 0.246 31.971 31.700 0.042 0.000 0.933 170 Y N 1.918 122.219 120.300 0.002 0.000 2.712 170 Y HA 0.253 4.803 4.550 0.000 0.000 0.333 170 Y C 1.628 177.529 175.900 0.002 0.000 1.225 170 Y CA 2.040 60.141 58.100 0.001 0.000 1.499 170 Y CB -0.085 38.375 38.460 0.001 0.000 1.288 170 Y HN 0.831 nan 8.280 nan 0.000 0.575 171 G N 2.126 110.503 108.800 -0.706 0.000 2.194 171 G HA2 0.127 4.087 3.960 -0.000 0.000 0.236 171 G HA3 0.127 4.087 3.960 -0.000 0.000 0.236 171 G C 0.302 175.062 174.900 -0.234 0.000 0.987 171 G CA -0.119 44.681 45.100 -0.500 0.000 0.635 171 G HN 2.073 nan 8.290 nan 0.000 0.520 172 G N -2.406 106.295 108.800 -0.165 0.000 2.347 172 G HA2 0.506 4.466 3.960 -0.000 0.000 0.321 172 G HA3 0.506 4.466 3.960 -0.000 0.000 0.321 172 G C -1.287 173.582 174.900 -0.052 0.000 1.412 172 G CA 0.195 45.237 45.100 -0.096 0.000 0.990 172 G HN 1.393 nan 8.290 nan 0.000 0.637 173 V N 1.761 121.651 119.914 -0.039 0.000 2.588 173 V HA 0.612 4.732 4.120 -0.000 0.000 0.304 173 V C 0.028 176.113 176.094 -0.015 0.000 1.042 173 V CA -1.058 61.230 62.300 -0.020 0.000 0.877 173 V CB 1.975 33.788 31.823 -0.017 0.000 0.996 173 V HN 0.985 nan 8.190 nan 0.000 0.425 174 K N 5.339 125.737 120.400 -0.003 0.000 2.205 174 K HA 0.492 4.812 4.320 -0.000 0.000 0.279 174 K C -1.217 175.393 176.600 0.016 0.000 1.027 174 K CA -0.469 55.822 56.287 0.006 0.000 0.932 174 K CB 1.901 34.410 32.500 0.015 0.000 1.032 174 K HN 0.421 nan 8.250 nan 0.000 0.466 175 L N 3.395 124.629 121.223 0.019 0.000 2.295 175 L HA 0.300 4.640 4.340 -0.000 0.000 0.281 175 L C 0.012 176.956 176.870 0.123 0.000 1.018 175 L CA -0.316 54.554 54.840 0.049 0.000 0.841 175 L CB 1.150 43.202 42.059 -0.013 0.000 1.218 175 L HN 0.762 nan 8.230 nan 0.000 0.424 176 E N 1.784 122.066 120.200 0.138 0.000 2.313 176 E HA 0.098 4.448 4.350 -0.000 0.000 0.272 176 E C -0.582 176.141 176.600 0.206 0.000 1.038 176 E CA -0.543 55.946 56.400 0.148 0.000 0.863 176 E CB 1.711 31.453 29.700 0.071 0.000 1.060 176 E HN 0.334 nan 8.360 nan 0.000 0.402 177 D N 2.922 123.413 120.400 0.152 0.000 2.316 177 D HA 0.050 4.690 4.640 -0.000 0.000 0.245 177 D C 0.843 177.089 176.300 -0.091 0.000 1.171 177 D CA 0.049 54.012 54.000 -0.062 0.000 0.856 177 D CB 0.935 41.726 40.800 -0.016 0.000 1.090 177 D HN 0.443 nan 8.370 nan 0.000 0.476 178 L N 4.109 125.246 121.223 -0.143 0.000 2.201 178 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 178 L C 2.271 179.079 176.870 -0.103 0.000 1.105 178 L CA 0.486 55.268 54.840 -0.097 0.000 0.775 178 L CB -0.124 41.882 42.059 -0.088 0.000 0.913 178 L HN 0.553 nan 8.230 nan 0.000 0.440 179 I N -0.794 119.702 120.570 -0.124 0.000 2.163 179 I HA -0.295 3.875 4.170 -0.000 0.000 0.243 179 I C 2.410 178.467 176.117 -0.100 0.000 1.085 179 I CA 1.274 62.506 61.300 -0.114 0.000 1.347 179 I CB -0.276 37.649 38.000 -0.125 0.000 1.044 179 I HN 0.030 nan 8.210 nan 0.000 0.408 180 V N 0.731 120.604 119.914 -0.069 0.000 2.323 180 V HA -0.252 3.868 4.120 -0.000 0.000 0.244 180 V C 2.469 178.525 176.094 -0.063 0.000 1.041 180 V CA 1.895 64.169 62.300 -0.042 0.000 1.025 180 V CB -0.607 31.229 31.823 0.022 0.000 0.656 180 V HN 0.399 nan 8.190 nan 0.000 0.451 181 K N -0.276 120.093 120.400 -0.052 0.000 2.031 181 K HA -0.159 4.161 4.320 -0.000 0.000 0.205 181 K C 1.619 178.173 176.600 -0.077 0.000 1.049 181 K CA 1.792 58.047 56.287 -0.053 0.000 0.939 181 K CB -0.048 32.433 32.500 -0.032 0.000 0.717 181 K HN 0.399 nan 8.250 nan 0.000 0.438 182 D N -1.062 119.289 120.400 -0.082 0.000 2.338 182 D HA 0.039 4.679 4.640 -0.000 0.000 0.208 182 D C 1.617 177.852 176.300 -0.109 0.000 0.997 182 D CA 0.839 54.786 54.000 -0.088 0.000 0.880 182 D CB 0.356 41.112 40.800 -0.073 0.000 0.980 182 D HN 0.409 nan 8.370 nan 0.000 0.509 183 G N 0.157 108.883 108.800 -0.122 0.000 2.486 183 G HA2 0.039 3.999 3.960 -0.000 0.000 0.210 183 G HA3 0.039 3.999 3.960 -0.000 0.000 0.210 183 G C 1.362 176.150 174.900 -0.187 0.000 1.168 183 G CA 0.068 45.081 45.100 -0.146 0.000 0.820 183 G HN 0.211 nan 8.290 nan 0.000 0.544 184 L N 0.529 121.620 121.223 -0.220 0.000 2.817 184 L HA 0.277 4.617 4.340 -0.000 0.000 0.248 184 L C 0.096 176.720 176.870 -0.410 0.000 1.133 184 L CA 0.066 54.687 54.840 -0.366 0.000 0.935 184 L CB 0.866 42.640 42.059 -0.476 0.000 1.266 184 L HN -0.066 nan 8.230 nan 0.000 0.535 185 T N 0.239 114.649 114.554 -0.239 0.000 2.749 185 T HA 0.164 4.514 4.350 -0.000 0.000 0.287 185 T C -0.503 174.114 174.700 -0.139 0.000 0.970 185 T CA -0.313 61.690 62.100 -0.162 0.000 0.980 185 T CB 1.785 70.596 68.868 -0.095 0.000 0.924 185 T HN -0.006 nan 8.240 nan 0.000 0.456 186 D N 2.557 122.901 120.400 -0.094 0.000 2.383 186 D HA 0.125 4.765 4.640 -0.000 0.000 0.252 186 D C 1.227 177.437 176.300 -0.150 0.000 1.166 186 D CA -0.218 53.740 54.000 -0.071 0.000 0.879 186 D CB 0.873 41.702 40.800 0.049 0.000 1.164 186 D HN 0.157 nan 8.370 nan 0.000 0.462 187 V N 4.003 123.699 119.914 -0.364 0.000 2.343 187 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 187 V C 1.274 177.085 176.094 -0.471 0.000 1.051 187 V CA 1.610 63.579 62.300 -0.551 0.000 1.036 187 V CB -0.864 30.387 31.823 -0.954 0.000 0.654 187 V HN 0.679 nan 8.190 nan 0.000 0.451 188 Y N -0.058 120.246 120.300 0.007 0.000 2.269 188 Y HA 0.045 4.595 4.550 -0.000 0.000 0.294 188 Y C 2.418 178.328 175.900 0.016 0.000 1.120 188 Y CA 0.888 58.995 58.100 0.012 0.000 1.159 188 Y CB -0.538 37.930 38.460 0.013 0.000 1.024 188 Y HN 0.227 nan 8.280 nan 0.000 0.532 189 N N 0.240 119.025 118.700 0.141 0.000 2.415 189 N HA -0.049 4.691 4.740 -0.000 0.000 0.176 189 N C 0.144 175.685 175.510 0.052 0.000 1.042 189 N CA 0.606 53.712 53.050 0.094 0.000 0.902 189 N CB 0.115 38.663 38.487 0.101 0.000 0.986 189 N HN 0.125 nan 8.380 nan 0.000 0.447 190 K N 0.345 120.757 120.400 0.019 0.000 3.192 190 K HA -0.132 4.188 4.320 -0.000 0.000 0.278 190 K C -0.555 176.065 176.600 0.034 0.000 1.164 190 K CA 0.496 56.787 56.287 0.007 0.000 0.816 190 K CB -1.661 30.847 32.500 0.012 0.000 1.256 190 K HN 0.463 nan 8.250 nan 0.000 0.497 191 I N -5.034 115.565 120.570 0.048 0.000 3.174 191 I HA 0.479 4.649 4.170 -0.000 0.000 0.313 191 I C 0.492 176.670 176.117 0.102 0.000 1.155 191 I CA -1.374 59.980 61.300 0.090 0.000 0.977 191 I CB 1.587 39.644 38.000 0.096 0.000 1.248 191 I HN -0.061 nan 8.210 nan 0.000 0.453 192 H N 3.017 122.125 119.070 0.064 0.000 2.771 192 H HA 0.174 4.730 4.556 -0.000 0.000 0.364 192 H C 0.762 176.074 175.328 -0.026 0.000 1.133 192 H CA 0.142 56.217 56.048 0.045 0.000 1.423 192 H CB 1.312 31.162 29.762 0.146 0.000 1.425 192 H HN 0.673 nan 8.280 nan 0.000 0.606 193 M N 3.232 122.788 119.600 -0.074 0.000 2.088 193 M HA -0.168 4.312 4.480 -0.000 0.000 0.256 193 M C 2.390 178.695 176.300 0.008 0.000 1.071 193 M CA 1.860 57.219 55.300 0.097 0.000 1.097 193 M CB -1.704 30.938 32.600 0.070 0.000 1.315 193 M HN 0.809 nan 8.290 nan 0.000 0.406 194 G N -0.742 107.927 108.800 -0.220 0.000 2.450 194 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.220 194 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.220 194 G C 1.734 176.204 174.900 -0.717 0.000 1.130 194 G CA 1.326 45.688 45.100 -1.229 0.000 0.760 194 G HN 0.505 nan 8.290 nan 0.000 0.557 195 S N -0.563 114.962 115.700 -0.292 0.000 2.406 195 S HA -0.115 4.355 4.470 -0.000 0.000 0.228 195 S C 2.437 176.996 174.600 -0.069 0.000 1.020 195 S CA 0.997 59.169 58.200 -0.047 0.000 0.965 195 S CB -0.308 62.952 63.200 0.099 0.000 0.798 195 S HN 0.556 nan 8.310 nan 0.000 0.488 196 C N 1.841 121.115 119.300 -0.043 0.000 2.446 196 C HA 0.054 4.514 4.460 -0.000 0.000 0.277 196 C C 3.038 177.886 174.990 -0.237 0.000 1.275 196 C CA 0.357 59.352 59.018 -0.038 0.000 1.727 196 C CB -1.522 26.336 27.740 0.197 0.000 2.010 196 C HN 0.664 nan 8.230 nan 0.000 0.486 197 A N 0.874 123.460 122.820 -0.390 0.000 1.917 197 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 197 A C 2.070 179.457 177.584 -0.329 0.000 1.182 197 A CA 1.779 53.497 52.037 -0.533 0.000 0.633 197 A CB -0.504 17.972 19.000 -0.873 0.000 0.819 197 A HN 0.617 nan 8.150 nan 0.000 0.448 198 E N 0.031 120.088 120.200 -0.238 0.000 2.130 198 E HA -0.225 4.125 4.350 -0.000 0.000 0.196 198 E C 1.848 178.382 176.600 -0.110 0.000 0.998 198 E CA 1.097 57.420 56.400 -0.127 0.000 0.806 198 E CB -0.564 29.103 29.700 -0.056 0.000 0.738 198 E HN 0.767 nan 8.360 nan 0.000 0.459 199 N N 0.323 118.951 118.700 -0.120 0.000 2.149 199 N HA -0.124 4.616 4.740 -0.000 0.000 0.188 199 N C 1.486 176.929 175.510 -0.111 0.000 1.019 199 N CA 1.556 54.548 53.050 -0.097 0.000 0.857 199 N CB 0.153 38.587 38.487 -0.088 0.000 0.997 199 N HN 0.075 nan 8.380 nan 0.000 0.426 200 T N 0.475 114.932 114.554 -0.161 0.000 2.896 200 T HA 0.117 4.467 4.350 -0.000 0.000 0.263 200 T C 1.963 176.590 174.700 -0.121 0.000 1.050 200 T CA 0.818 62.826 62.100 -0.153 0.000 1.140 200 T CB -0.246 68.492 68.868 -0.218 0.000 0.877 200 T HN 0.372 nan 8.240 nan 0.000 0.457 201 A N 2.099 124.845 122.820 -0.123 0.000 1.892 201 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 201 A C 2.183 179.730 177.584 -0.063 0.000 1.188 201 A CA 2.260 54.246 52.037 -0.086 0.000 0.631 201 A CB -0.606 18.349 19.000 -0.076 0.000 0.822 201 A HN 0.502 nan 8.150 nan 0.000 0.447 202 K N -0.304 120.060 120.400 -0.060 0.000 1.991 202 K HA -0.193 4.127 4.320 -0.000 0.000 0.212 202 K C 2.102 178.676 176.600 -0.043 0.000 1.049 202 K CA 1.906 58.167 56.287 -0.044 0.000 0.932 202 K CB -0.252 32.224 32.500 -0.039 0.000 0.717 202 K HN 0.410 nan 8.250 nan 0.000 0.441 203 K N 0.143 120.512 120.400 -0.051 0.000 2.103 203 K HA -0.088 4.232 4.320 -0.000 0.000 0.207 203 K C 1.676 178.250 176.600 -0.044 0.000 1.048 203 K CA 1.291 57.551 56.287 -0.045 0.000 0.930 203 K CB 0.026 32.497 32.500 -0.049 0.000 0.716 203 K HN 0.245 nan 8.250 nan 0.000 0.444 204 L N 0.316 121.507 121.223 -0.054 0.000 2.728 204 L HA 0.139 4.479 4.340 -0.000 0.000 0.238 204 L C -0.627 176.214 176.870 -0.047 0.000 1.143 204 L CA -0.317 54.490 54.840 -0.054 0.000 0.937 204 L CB -0.213 41.804 42.059 -0.069 0.000 1.225 204 L HN 0.178 nan 8.230 nan 0.000 0.507 205 N N 1.344 120.020 118.700 -0.041 0.000 2.688 205 N HA -0.194 4.546 4.740 -0.000 0.000 0.258 205 N C -0.759 174.732 175.510 -0.033 0.000 1.016 205 N CA 0.675 53.705 53.050 -0.032 0.000 0.747 205 N CB -1.136 37.336 38.487 -0.026 0.000 0.895 205 N HN 0.313 nan 8.380 nan 0.000 0.543 206 I N 0.011 120.558 120.570 -0.038 0.000 2.359 206 I HA 0.504 4.674 4.170 -0.000 0.000 0.284 206 I C 0.806 176.910 176.117 -0.022 0.000 1.018 206 I CA -0.696 60.583 61.300 -0.035 0.000 1.173 206 I CB 1.149 39.118 38.000 -0.053 0.000 1.326 206 I HN 0.285 nan 8.210 nan 0.000 0.462 207 A N 5.192 128.006 122.820 -0.010 0.000 2.257 207 A HA 0.433 4.753 4.320 -0.000 0.000 0.289 207 A C 1.386 178.978 177.584 0.014 0.000 1.095 207 A CA -0.448 51.589 52.037 0.001 0.000 0.836 207 A CB 0.602 19.603 19.000 0.002 0.000 1.111 207 A HN 0.838 nan 8.150 nan 0.000 0.497 208 R N 0.950 121.462 120.500 0.020 0.000 2.113 208 R HA -0.232 4.108 4.340 -0.000 0.000 0.244 208 R C 1.815 178.138 176.300 0.039 0.000 1.142 208 R CA 2.894 59.014 56.100 0.034 0.000 0.953 208 R CB -0.520 29.799 30.300 0.032 0.000 0.860 208 R HN 0.919 nan 8.270 nan 0.000 0.438 209 N N 0.199 118.916 118.700 0.028 0.000 2.142 209 N HA -0.232 4.508 4.740 -0.000 0.000 0.186 209 N C 1.662 177.192 175.510 0.033 0.000 1.023 209 N CA 1.881 54.947 53.050 0.027 0.000 0.852 209 N CB -0.565 37.932 38.487 0.018 0.000 0.998 209 N HN 0.574 nan 8.380 nan 0.000 0.424 210 E N 0.678 120.897 120.200 0.033 0.000 2.077 210 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 210 E C 2.027 178.675 176.600 0.080 0.000 0.989 210 E CA 0.996 57.422 56.400 0.044 0.000 0.800 210 E CB 0.043 29.758 29.700 0.026 0.000 0.746 210 E HN 0.502 nan 8.360 nan 0.000 0.452 211 Q N 0.216 120.060 119.800 0.072 0.000 2.096 211 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 211 Q C 1.855 177.943 176.000 0.147 0.000 0.982 211 Q CA 1.525 57.392 55.803 0.107 0.000 0.850 211 Q CB -0.090 28.698 28.738 0.083 0.000 0.901 211 Q HN 0.292 nan 8.270 nan 0.000 0.422 212 D N 0.421 120.882 120.400 0.102 0.000 2.117 212 D HA -0.093 4.547 4.640 -0.000 0.000 0.198 212 D C 1.810 178.140 176.300 0.050 0.000 0.982 212 D CA 1.280 55.331 54.000 0.084 0.000 0.828 212 D CB -0.217 40.616 40.800 0.055 0.000 0.967 212 D HN 0.249 nan 8.370 nan 0.000 0.464 213 A N 0.025 122.868 122.820 0.040 0.000 1.908 213 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 213 A C 2.216 179.805 177.584 0.008 0.000 1.181 213 A CA 1.381 53.418 52.037 -0.000 0.000 0.627 213 A CB -1.125 17.883 19.000 0.013 0.000 0.818 213 A HN 0.348 nan 8.150 nan 0.000 0.445 214 Y N 0.516 120.812 120.300 -0.006 0.000 2.097 214 Y HA -0.138 4.412 4.550 -0.000 0.000 0.282 214 Y C 2.735 178.647 175.900 0.020 0.000 1.152 214 Y CA 1.572 59.674 58.100 0.003 0.000 1.136 214 Y CB -0.548 37.919 38.460 0.011 0.000 0.975 214 Y HN 0.328 nan 8.280 nan 0.000 0.498 215 A N 0.398 123.335 122.820 0.195 0.000 1.892 215 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 215 A C 2.280 179.953 177.584 0.148 0.000 1.188 215 A CA 2.317 54.469 52.037 0.192 0.000 0.631 215 A CB -1.271 17.889 19.000 0.266 0.000 0.822 215 A HN 0.603 nan 8.150 nan 0.000 0.447 216 I N -0.225 120.331 120.570 -0.023 0.000 2.226 216 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 216 I C 2.409 178.405 176.117 -0.203 0.000 1.100 216 I CA 1.627 62.755 61.300 -0.286 0.000 1.374 216 I CB -0.425 37.209 38.000 -0.609 0.000 1.057 216 I HN 0.573 nan 8.210 nan 0.000 0.413 217 N N 0.288 118.858 118.700 -0.216 0.000 2.061 217 N HA -0.263 4.477 4.740 -0.000 0.000 0.193 217 N C 1.961 177.340 175.510 -0.217 0.000 1.030 217 N CA 2.112 55.022 53.050 -0.234 0.000 0.856 217 N CB -0.225 38.061 38.487 -0.336 0.000 1.023 217 N HN 0.186 nan 8.380 nan 0.000 0.424 218 S N -1.315 114.196 115.700 -0.314 0.000 2.359 218 S HA -0.187 4.283 4.470 -0.000 0.000 0.223 218 S C 1.780 176.325 174.600 -0.091 0.000 1.039 218 S CA 1.367 59.425 58.200 -0.237 0.000 1.042 218 S CB -0.733 62.319 63.200 -0.248 0.000 0.915 218 S HN 0.519 nan 8.310 nan 0.000 0.439 219 Y N 1.833 122.167 120.300 0.056 0.000 2.165 219 Y HA -0.135 4.415 4.550 -0.000 0.000 0.286 219 Y C 3.018 179.037 175.900 0.198 0.000 1.155 219 Y CA 1.859 60.082 58.100 0.205 0.000 1.164 219 Y CB -1.211 37.489 38.460 0.400 0.000 0.978 219 Y HN 0.280 nan 8.280 nan 0.000 0.513 220 T N -0.130 114.609 114.554 0.308 0.000 2.684 220 T HA -0.209 4.141 4.350 -0.000 0.000 0.267 220 T C 1.952 176.714 174.700 0.105 0.000 1.036 220 T CA 1.698 63.925 62.100 0.212 0.000 1.148 220 T CB -0.257 68.676 68.868 0.109 0.000 0.863 220 T HN 0.293 nan 8.240 nan 0.000 0.436 221 R N 0.822 121.344 120.500 0.037 0.000 2.081 221 R HA -0.037 4.303 4.340 -0.000 0.000 0.235 221 R C 2.976 179.278 176.300 0.003 0.000 1.131 221 R CA 1.496 57.597 56.100 0.001 0.000 0.960 221 R CB -0.395 29.886 30.300 -0.031 0.000 0.856 221 R HN 0.261 nan 8.270 nan 0.000 0.436 222 S N 0.863 116.566 115.700 0.006 0.000 2.348 222 S HA -0.184 4.286 4.470 -0.000 0.000 0.221 222 S C 1.799 176.300 174.600 -0.165 0.000 1.033 222 S CA 1.268 59.452 58.200 -0.026 0.000 1.010 222 S CB -0.167 63.013 63.200 -0.034 0.000 0.891 222 S HN 0.303 nan 8.310 nan 0.000 0.442 223 K N 1.317 121.591 120.400 -0.210 0.000 2.020 223 K HA -0.167 4.153 4.320 -0.000 0.000 0.212 223 K C 2.288 178.905 176.600 0.029 0.000 1.050 223 K CA 1.373 57.582 56.287 -0.130 0.000 0.929 223 K CB -0.446 32.150 32.500 0.160 0.000 0.714 223 K HN 0.291 nan 8.250 nan 0.000 0.443 224 A N 1.026 123.868 122.820 0.037 0.000 1.873 224 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 224 A C 2.360 179.935 177.584 -0.015 0.000 1.193 224 A CA 2.385 54.437 52.037 0.025 0.000 0.629 224 A CB -1.048 17.960 19.000 0.013 0.000 0.826 224 A HN 0.541 nan 8.150 nan 0.000 0.447 225 A N -1.911 120.868 122.820 -0.069 0.000 1.902 225 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 225 A C 2.022 179.462 177.584 -0.241 0.000 1.181 225 A CA 1.387 53.275 52.037 -0.249 0.000 0.623 225 A CB -0.914 17.850 19.000 -0.394 0.000 0.818 225 A HN 0.752 nan 8.150 nan 0.000 0.443 226 W N 0.167 121.481 121.300 0.023 0.000 2.355 226 W HA -0.125 4.535 4.660 0.000 0.000 0.309 226 W C 2.399 178.964 176.519 0.077 0.000 1.206 226 W CA 1.452 58.880 57.345 0.139 0.000 1.284 226 W CB -0.047 29.448 29.460 0.059 0.000 1.145 226 W HN 0.423 nan 8.180 nan 0.000 0.502 227 E N -0.517 119.843 120.200 0.267 0.000 2.208 227 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 227 E C 2.114 178.772 176.600 0.097 0.000 0.988 227 E CA 0.937 57.447 56.400 0.183 0.000 0.828 227 E CB -0.303 29.485 29.700 0.145 0.000 0.763 227 E HN 0.228 nan 8.360 nan 0.000 0.478 228 A N 0.497 123.335 122.820 0.030 0.000 2.167 228 A HA 0.164 4.484 4.320 -0.000 0.000 0.214 228 A C 1.752 179.308 177.584 -0.046 0.000 1.151 228 A CA 0.872 52.894 52.037 -0.025 0.000 0.735 228 A CB -0.332 18.623 19.000 -0.074 0.000 0.802 228 A HN 0.319 nan 8.150 nan 0.000 0.467 229 G N -0.421 108.360 108.800 -0.031 0.000 2.160 229 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.244 229 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.244 229 G C 0.775 175.560 174.900 -0.191 0.000 1.022 229 G CA 0.561 45.636 45.100 -0.043 0.000 0.741 229 G HN 0.372 nan 8.290 nan 0.000 0.508 230 K N -0.624 119.539 120.400 -0.394 0.000 2.283 230 K HA 0.064 4.384 4.320 -0.000 0.000 0.202 230 K C 1.285 177.454 176.600 -0.719 0.000 1.048 230 K CA 0.917 56.848 56.287 -0.593 0.000 0.948 230 K CB -0.170 31.853 32.500 -0.795 0.000 0.742 230 K HN 0.550 nan 8.250 nan 0.000 0.458 231 F N -0.146 119.542 119.950 -0.437 0.000 2.668 231 F HA 0.250 4.777 4.527 0.000 0.000 0.297 231 F C 1.880 177.507 175.800 -0.289 0.000 1.124 231 F CA -0.463 57.251 58.000 -0.478 0.000 1.353 231 F CB -0.279 38.156 39.000 -0.941 0.000 0.992 231 F HN -0.039 nan 8.300 nan 0.000 0.524 232 G N 0.644 109.387 108.800 -0.095 0.000 2.442 232 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.219 232 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.219 232 G C 1.580 176.452 174.900 -0.045 0.000 1.141 232 G CA 0.937 46.020 45.100 -0.028 0.000 0.763 232 G HN 0.293 nan 8.290 nan 0.000 0.554 233 N N -0.317 118.302 118.700 -0.135 0.000 2.254 233 N HA 0.049 4.789 4.740 -0.000 0.000 0.190 233 N C 1.751 177.062 175.510 -0.331 0.000 1.107 233 N CA 0.378 53.324 53.050 -0.174 0.000 0.869 233 N CB 0.626 39.030 38.487 -0.140 0.000 0.983 233 N HN 0.590 nan 8.380 nan 0.000 0.487 234 E N 0.617 120.594 120.200 -0.372 0.000 2.057 234 E HA 0.041 4.391 4.350 -0.000 0.000 0.190 234 E C -0.062 176.521 176.600 -0.028 0.000 0.969 234 E CA 0.495 56.712 56.400 -0.304 0.000 0.812 234 E CB 0.531 30.168 29.700 -0.105 0.000 0.777 234 E HN -0.155 nan 8.360 nan 0.000 0.455 235 V N 2.835 122.770 119.914 0.035 0.000 2.481 235 V HA 0.272 4.392 4.120 -0.000 0.000 0.286 235 V C 0.203 176.364 176.094 0.111 0.000 1.042 235 V CA -0.538 61.827 62.300 0.107 0.000 0.928 235 V CB 1.299 33.255 31.823 0.221 0.000 0.986 235 V HN 0.243 nan 8.190 nan 0.000 0.462 236 I N 3.507 124.135 120.570 0.097 0.000 2.474 236 I HA 0.698 4.868 4.170 -0.000 0.000 0.294 236 I C -2.533 173.633 176.117 0.081 0.000 1.005 236 I CA -2.498 58.852 61.300 0.082 0.000 1.113 236 I CB 2.175 40.211 38.000 0.059 0.000 1.289 236 I HN 0.375 nan 8.210 nan 0.000 0.436 237 P HA 0.172 nan 4.420 nan 0.000 0.274 237 P C -0.742 176.579 177.300 0.036 0.000 1.231 237 P CA -0.229 62.905 63.100 0.057 0.000 0.790 237 P CB 1.684 33.415 31.700 0.052 0.000 0.951 238 V N 2.361 122.288 119.914 0.023 0.000 2.409 238 V HA 0.227 4.347 4.120 -0.000 0.000 0.291 238 V C 0.404 176.501 176.094 0.005 0.000 1.020 238 V CA -0.330 61.979 62.300 0.014 0.000 0.848 238 V CB 1.578 33.407 31.823 0.010 0.000 0.990 238 V HN 0.511 nan 8.190 nan 0.000 0.430 239 T N 4.889 119.446 114.554 0.005 0.000 2.729 239 T HA 0.368 4.718 4.350 -0.000 0.000 0.296 239 T C -0.041 174.657 174.700 -0.003 0.000 0.928 239 T CA -0.103 61.997 62.100 0.000 0.000 1.045 239 T CB 0.929 69.798 68.868 0.003 0.000 0.902 239 T HN 0.370 nan 8.240 nan 0.000 0.500 240 V N 5.040 124.949 119.914 -0.008 0.000 2.364 240 V HA 0.329 4.449 4.120 -0.000 0.000 0.272 240 V C 0.545 176.633 176.094 -0.011 0.000 1.036 240 V CA -0.589 61.705 62.300 -0.011 0.000 0.880 240 V CB 1.238 33.051 31.823 -0.017 0.000 0.991 240 V HN 0.898 nan 8.190 nan 0.000 0.460 241 T N 5.034 119.583 114.554 -0.009 0.000 2.758 241 T HA 0.591 4.941 4.350 -0.000 0.000 0.285 241 T C -0.333 174.361 174.700 -0.010 0.000 0.981 241 T CA -0.347 61.748 62.100 -0.008 0.000 0.965 241 T CB 1.430 70.295 68.868 -0.005 0.000 0.927 241 T HN 0.352 nan 8.240 nan 0.000 0.448 242 V N 3.766 123.673 119.914 -0.011 0.000 2.540 242 V HA 0.422 4.542 4.120 -0.000 0.000 0.302 242 V C 0.309 176.397 176.094 -0.010 0.000 1.035 242 V CA -1.216 61.077 62.300 -0.012 0.000 0.873 242 V CB 1.898 33.712 31.823 -0.015 0.000 0.992 242 V HN 0.762 nan 8.190 nan 0.000 0.428 243 K N 2.635 123.030 120.400 -0.009 0.000 2.447 243 K HA 0.373 4.693 4.320 -0.000 0.000 0.281 243 K C 1.261 177.856 176.600 -0.008 0.000 1.031 243 K CA 1.278 57.560 56.287 -0.007 0.000 1.019 243 K CB 0.140 32.636 32.500 -0.006 0.000 0.918 243 K HN 1.110 nan 8.250 nan 0.000 0.476 244 G N 2.645 111.441 108.800 -0.007 0.000 2.317 244 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.227 244 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.227 244 G C -0.218 174.677 174.900 -0.009 0.000 1.042 244 G CA -0.246 44.850 45.100 -0.008 0.000 0.623 244 G HN 0.577 nan 8.290 nan 0.000 0.509 245 Q N 1.474 121.268 119.800 -0.010 0.000 2.260 245 Q HA 0.558 4.898 4.340 -0.000 0.000 0.238 245 Q C -2.384 173.610 176.000 -0.011 0.000 0.948 245 Q CA -1.722 54.075 55.803 -0.011 0.000 0.895 245 Q CB 0.419 29.148 28.738 -0.014 0.000 1.218 245 Q HN 0.344 nan 8.270 nan 0.000 0.470 246 P HA 0.108 nan 4.420 nan 0.000 0.276 246 P C -0.772 176.521 177.300 -0.012 0.000 1.230 246 P CA -0.383 62.711 63.100 -0.010 0.000 0.776 246 P CB 0.475 32.168 31.700 -0.011 0.000 0.888 247 D N 1.106 121.500 120.400 -0.010 0.000 2.548 247 D HA 0.023 4.663 4.640 -0.000 0.000 0.231 247 D C -0.125 176.167 176.300 -0.013 0.000 1.142 247 D CA 0.591 54.585 54.000 -0.010 0.000 0.866 247 D CB 0.303 41.099 40.800 -0.006 0.000 1.190 247 D HN -0.028 nan 8.370 nan 0.000 0.469 248 V N 2.900 122.805 119.914 -0.015 0.000 2.384 248 V HA 0.226 4.346 4.120 -0.000 0.000 0.287 248 V C 0.196 176.279 176.094 -0.017 0.000 1.020 248 V CA -0.845 61.444 62.300 -0.020 0.000 0.850 248 V CB 1.895 33.703 31.823 -0.025 0.000 0.987 248 V HN 0.215 nan 8.190 nan 0.000 0.436 249 V N 6.019 125.922 119.914 -0.017 0.000 2.318 249 V HA 0.284 4.404 4.120 -0.000 0.000 0.271 249 V C 0.054 176.134 176.094 -0.023 0.000 1.030 249 V CA -0.502 61.791 62.300 -0.013 0.000 0.844 249 V CB 1.520 33.340 31.823 -0.005 0.000 1.015 249 V HN 0.639 nan 8.190 nan 0.000 0.460 250 V N 6.763 126.662 119.914 -0.025 0.000 2.368 250 V HA 0.260 4.380 4.120 -0.000 0.000 0.266 250 V C 1.047 177.123 176.094 -0.030 0.000 1.045 250 V CA -0.323 61.951 62.300 -0.043 0.000 0.899 250 V CB 0.781 32.578 31.823 -0.043 0.000 1.006 250 V HN 1.025 nan 8.190 nan 0.000 0.470 251 K N 3.621 123.991 120.400 -0.051 0.000 2.380 251 K HA 0.317 4.637 4.320 -0.000 0.000 0.198 251 K C 0.382 176.946 176.600 -0.062 0.000 1.070 251 K CA -0.182 56.100 56.287 -0.009 0.000 1.040 251 K CB 0.990 33.503 32.500 0.021 0.000 0.903 251 K HN 0.757 nan 8.250 nan 0.000 0.549 252 E N 0.787 120.820 120.200 -0.279 0.000 2.416 252 E HA 0.220 4.570 4.350 -0.000 0.000 0.273 252 E C -1.435 174.806 176.600 -0.599 0.000 0.935 252 E CA -0.979 54.933 56.400 -0.813 0.000 0.784 252 E CB 1.129 30.108 29.700 -1.203 0.000 1.301 252 E HN -0.109 nan 8.360 nan 0.000 0.454 253 D N 1.409 121.391 120.400 -0.696 0.000 2.455 253 D HA -0.036 4.604 4.640 -0.000 0.000 0.241 253 D C 0.369 176.513 176.300 -0.262 0.000 1.138 253 D CA 0.462 54.336 54.000 -0.210 0.000 0.877 253 D CB 1.408 42.283 40.800 0.125 0.000 1.187 253 D HN 0.608 nan 8.370 nan 0.000 0.451 254 E N 1.452 121.555 120.200 -0.161 0.000 2.190 254 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 254 E C 1.179 177.675 176.600 -0.173 0.000 0.978 254 E CA 0.343 56.627 56.400 -0.194 0.000 0.839 254 E CB 0.330 29.963 29.700 -0.110 0.000 0.787 254 E HN 0.286 nan 8.360 nan 0.000 0.473 255 E N -0.146 120.029 120.200 -0.043 0.000 2.208 255 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 255 E C 1.779 178.464 176.600 0.141 0.000 0.988 255 E CA 1.188 57.619 56.400 0.051 0.000 0.828 255 E CB -0.335 29.424 29.700 0.097 0.000 0.763 255 E HN 0.513 nan 8.360 nan 0.000 0.478 256 Y N -0.374 119.996 120.300 0.117 0.000 2.439 256 Y HA 0.123 4.673 4.550 0.000 0.000 0.292 256 Y C 1.504 177.563 175.900 0.264 0.000 1.130 256 Y CA 0.900 59.154 58.100 0.256 0.000 1.254 256 Y CB -0.263 38.312 38.460 0.192 0.000 1.000 256 Y HN -0.146 nan 8.280 nan 0.000 0.554 257 K N 0.678 120.859 120.400 -0.365 0.000 2.366 257 K HA 0.086 4.406 4.320 -0.000 0.000 0.198 257 K C 0.625 177.153 176.600 -0.120 0.000 1.044 257 K CA 0.319 56.441 56.287 -0.274 0.000 0.973 257 K CB 0.010 32.250 32.500 -0.434 0.000 0.767 257 K HN 0.210 nan 8.250 nan 0.000 0.475 258 R N 1.416 121.892 120.500 -0.041 0.000 4.164 258 R HA 0.139 4.479 4.340 -0.000 0.000 0.195 258 R C -0.894 175.385 176.300 -0.035 0.000 1.712 258 R CA 0.007 56.095 56.100 -0.020 0.000 1.457 258 R CB 0.061 30.376 30.300 0.026 0.000 1.387 258 R HN -0.079 nan 8.270 nan 0.000 0.785 259 V N 0.484 120.303 119.914 -0.158 0.000 3.178 259 V HA 0.300 4.420 4.120 -0.000 0.000 0.302 259 V C -1.825 174.100 176.094 -0.282 0.000 1.262 259 V CA -0.851 61.279 62.300 -0.283 0.000 1.030 259 V CB 2.944 34.336 31.823 -0.718 0.000 1.074 259 V HN 0.352 nan 8.190 nan 0.000 0.438 260 D N 3.167 123.445 120.400 -0.202 0.000 2.602 260 D HA 0.353 4.993 4.640 -0.000 0.000 0.245 260 D C 0.295 176.588 176.300 -0.011 0.000 1.325 260 D CA -0.384 53.509 54.000 -0.179 0.000 0.952 260 D CB 1.190 41.931 40.800 -0.098 0.000 1.317 260 D HN 0.243 nan 8.370 nan 0.000 0.577 261 F N 1.690 121.585 119.950 -0.091 0.000 2.216 261 F HA -0.130 4.397 4.527 -0.000 0.000 0.300 261 F C 2.654 178.434 175.800 -0.033 0.000 1.085 261 F CA 1.160 59.122 58.000 -0.064 0.000 1.326 261 F CB -1.173 37.803 39.000 -0.040 0.000 1.027 261 F HN 0.436 nan 8.300 nan 0.000 0.497 262 S N -0.117 115.667 115.700 0.141 0.000 2.399 262 S HA -0.157 4.313 4.470 -0.000 0.000 0.231 262 S C 1.831 176.465 174.600 0.057 0.000 1.022 262 S CA 0.836 59.084 58.200 0.079 0.000 0.983 262 S CB -0.408 62.817 63.200 0.042 0.000 0.803 262 S HN 0.375 nan 8.310 nan 0.000 0.480 263 K N 0.884 121.313 120.400 0.050 0.000 2.243 263 K HA 0.149 4.469 4.320 -0.000 0.000 0.201 263 K C 2.122 178.751 176.600 0.048 0.000 1.051 263 K CA 0.845 57.153 56.287 0.035 0.000 0.970 263 K CB -0.549 31.961 32.500 0.017 0.000 0.755 263 K HN 0.306 nan 8.250 nan 0.000 0.465 264 V N 2.179 122.135 119.914 0.071 0.000 2.250 264 V HA -0.233 3.887 4.120 -0.000 0.000 0.253 264 V C -0.928 175.201 176.094 0.058 0.000 1.065 264 V CA 2.057 64.401 62.300 0.074 0.000 1.039 264 V CB -1.474 30.401 31.823 0.087 0.000 0.647 264 V HN 0.227 nan 8.190 nan 0.000 0.446 265 P HA -0.050 nan 4.420 nan 0.000 0.233 265 P C 1.239 178.558 177.300 0.032 0.000 1.167 265 P CA 1.116 64.239 63.100 0.038 0.000 0.770 265 P CB -0.052 31.667 31.700 0.032 0.000 0.837 266 K N -1.521 118.897 120.400 0.031 0.000 2.334 266 K HA 0.103 4.423 4.320 -0.000 0.000 0.195 266 K C 0.452 177.064 176.600 0.020 0.000 1.045 266 K CA -0.236 56.064 56.287 0.023 0.000 1.004 266 K CB -0.196 32.316 32.500 0.019 0.000 0.837 266 K HN 0.028 nan 8.250 nan 0.000 0.510 267 L N 2.398 123.636 121.223 0.026 0.000 2.529 267 L HA -0.048 4.292 4.340 -0.000 0.000 0.287 267 L C 0.555 177.432 176.870 0.013 0.000 1.241 267 L CA 0.784 55.636 54.840 0.020 0.000 0.857 267 L CB 0.058 42.137 42.059 0.033 0.000 1.113 267 L HN 0.021 nan 8.230 nan 0.000 0.504 268 K N 0.858 121.255 120.400 -0.004 0.000 2.185 268 K HA 0.182 4.502 4.320 -0.000 0.000 0.271 268 K C -0.347 176.239 176.600 -0.024 0.000 1.013 268 K CA -0.412 55.866 56.287 -0.015 0.000 0.943 268 K CB 0.783 33.265 32.500 -0.030 0.000 0.998 268 K HN 0.756 nan 8.250 nan 0.000 0.468 269 T N 0.961 115.507 114.554 -0.013 0.000 2.987 269 T HA 0.113 4.463 4.350 -0.000 0.000 0.288 269 T C 1.258 175.918 174.700 -0.066 0.000 0.981 269 T CA -0.668 61.430 62.100 -0.004 0.000 1.031 269 T CB -0.145 68.741 68.868 0.030 0.000 0.976 269 T HN 0.406 nan 8.240 nan 0.000 0.612 270 V N -0.154 119.640 119.914 -0.199 0.000 3.305 270 V HA 0.172 4.292 4.120 -0.000 0.000 0.269 270 V C 1.282 177.085 176.094 -0.486 0.000 1.157 270 V CA 0.596 62.665 62.300 -0.385 0.000 1.157 270 V CB -1.374 30.125 31.823 -0.541 0.000 0.772 270 V HN 0.711 nan 8.190 nan 0.000 0.498 271 F N 0.508 120.435 119.950 -0.039 0.000 2.731 271 F HA 0.474 5.001 4.527 -0.000 0.000 0.298 271 F C 1.125 176.911 175.800 -0.024 0.000 1.106 271 F CA -0.075 57.895 58.000 -0.049 0.000 1.329 271 F CB 0.319 39.279 39.000 -0.067 0.000 1.100 271 F HN 0.253 nan 8.300 nan 0.000 0.592 272 Q N -0.069 119.798 119.800 0.111 0.000 2.295 272 Q HA 0.221 4.561 4.340 -0.000 0.000 0.268 272 Q C 0.344 176.362 176.000 0.031 0.000 1.010 272 Q CA -0.469 55.375 55.803 0.068 0.000 0.856 272 Q CB 1.858 30.636 28.738 0.066 0.000 1.349 272 Q HN 0.011 nan 8.270 nan 0.000 0.412 273 K N 1.170 121.583 120.400 0.021 0.000 1.973 273 K HA -0.043 4.277 4.320 -0.000 0.000 0.212 273 K C -0.159 176.448 176.600 0.011 0.000 1.047 273 K CA 1.071 57.364 56.287 0.010 0.000 0.937 273 K CB 0.132 32.638 32.500 0.010 0.000 0.721 273 K HN 0.533 nan 8.250 nan 0.000 0.440 274 E N 1.744 121.952 120.200 0.013 0.000 2.259 274 E HA 0.042 4.392 4.350 -0.000 0.000 0.281 274 E C -0.446 176.161 176.600 0.012 0.000 1.037 274 E CA -0.021 56.385 56.400 0.011 0.000 0.854 274 E CB 0.689 30.394 29.700 0.009 0.000 1.051 274 E HN 0.296 nan 8.360 nan 0.000 0.409 275 N N 0.580 119.286 118.700 0.010 0.000 2.714 275 N HA -0.200 4.540 4.740 -0.000 0.000 0.250 275 N C 0.517 176.035 175.510 0.013 0.000 1.117 275 N CA 0.577 53.632 53.050 0.009 0.000 0.719 275 N CB -1.176 37.313 38.487 0.005 0.000 1.081 275 N HN 0.644 nan 8.380 nan 0.000 0.557 276 G N -0.460 108.353 108.800 0.021 0.000 2.664 276 G HA2 0.336 4.296 3.960 -0.000 0.000 0.242 276 G HA3 0.336 4.296 3.960 -0.000 0.000 0.242 276 G C 1.010 175.930 174.900 0.035 0.000 1.225 276 G CA 0.495 45.615 45.100 0.034 0.000 0.849 276 G HN 0.382 nan 8.290 nan 0.000 0.581 277 T N -3.764 110.818 114.554 0.047 0.000 3.051 277 T HA 0.150 4.500 4.350 -0.000 0.000 0.254 277 T C 0.481 175.233 174.700 0.088 0.000 0.916 277 T CA 0.048 62.177 62.100 0.050 0.000 0.894 277 T CB 0.010 68.892 68.868 0.024 0.000 1.251 277 T HN 0.334 nan 8.240 nan 0.000 0.517 278 V N 4.171 124.160 119.914 0.125 0.000 2.488 278 V HA 0.602 4.722 4.120 -0.000 0.000 0.277 278 V C 0.725 176.979 176.094 0.265 0.000 1.046 278 V CA -0.085 62.349 62.300 0.223 0.000 0.986 278 V CB 0.612 32.583 31.823 0.247 0.000 0.989 278 V HN 0.769 nan 8.190 nan 0.000 0.475 279 T N 1.504 116.206 114.554 0.247 0.000 2.907 279 T HA 0.695 5.045 4.350 -0.000 0.000 0.290 279 T C 1.038 175.871 174.700 0.222 0.000 1.066 279 T CA -0.083 62.118 62.100 0.169 0.000 1.012 279 T CB 2.021 70.959 68.868 0.117 0.000 1.184 279 T HN 0.639 nan 8.240 nan 0.000 0.522 280 A N 0.542 123.441 122.820 0.132 0.000 1.933 280 A HA 0.237 4.557 4.320 -0.000 0.000 0.218 280 A C 2.529 180.225 177.584 0.187 0.000 1.175 280 A CA 1.974 54.100 52.037 0.149 0.000 0.628 280 A CB -1.514 17.530 19.000 0.074 0.000 0.814 280 A HN 1.296 nan 8.150 nan 0.000 0.444 281 A N 1.246 124.172 122.820 0.177 0.000 1.898 281 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 281 A C 1.647 179.399 177.584 0.280 0.000 1.181 281 A CA 1.845 54.015 52.037 0.222 0.000 0.620 281 A CB -0.624 18.475 19.000 0.166 0.000 0.819 281 A HN 0.766 nan 8.150 nan 0.000 0.442 282 N N -0.700 118.148 118.700 0.247 0.000 2.270 282 N HA 0.420 5.160 4.740 -0.000 0.000 0.198 282 N C 0.115 175.786 175.510 0.268 0.000 1.117 282 N CA 0.591 53.794 53.050 0.255 0.000 0.845 282 N CB -0.019 38.599 38.487 0.220 0.000 0.980 282 N HN 0.406 nan 8.380 nan 0.000 0.486 283 A N 0.100 123.086 122.820 0.277 0.000 2.299 283 A HA 0.718 5.038 4.320 -0.000 0.000 0.332 283 A C 0.269 177.887 177.584 0.056 0.000 1.131 283 A CA -0.577 51.599 52.037 0.232 0.000 0.844 283 A CB 0.625 19.894 19.000 0.448 0.000 1.251 283 A HN 0.362 nan 8.150 nan 0.000 0.486 284 S N 0.085 115.690 115.700 -0.159 0.000 2.600 284 S HA 0.513 4.983 4.470 -0.000 0.000 0.265 284 S C 0.492 175.090 174.600 -0.003 0.000 1.325 284 S CA 0.252 58.398 58.200 -0.091 0.000 1.002 284 S CB 0.458 63.565 63.200 -0.154 0.000 0.921 284 S HN 1.275 nan 8.310 nan 0.000 0.554 285 T N -0.818 113.761 114.554 0.041 0.000 2.922 285 T HA 0.623 4.973 4.350 -0.000 0.000 0.281 285 T C -0.079 174.625 174.700 0.007 0.000 1.005 285 T CA -1.160 60.967 62.100 0.045 0.000 0.982 285 T CB 0.159 69.073 68.868 0.077 0.000 1.158 285 T HN 0.567 nan 8.240 nan 0.000 0.566 286 L N 1.630 122.818 121.223 -0.057 0.000 2.292 286 L HA 0.580 4.920 4.340 -0.000 0.000 0.284 286 L C -0.186 176.704 176.870 0.033 0.000 1.065 286 L CA -0.683 54.081 54.840 -0.127 0.000 0.806 286 L CB 0.565 42.332 42.059 -0.486 0.000 1.175 286 L HN 0.745 nan 8.230 nan 0.000 0.431 287 N N 0.632 119.365 118.700 0.055 0.000 2.934 287 N HA 0.480 5.220 4.740 -0.000 0.000 0.253 287 N C -1.896 173.661 175.510 0.080 0.000 1.466 287 N CA -0.880 52.228 53.050 0.098 0.000 0.858 287 N CB 1.669 40.199 38.487 0.072 0.000 1.459 287 N HN 0.411 nan 8.380 nan 0.000 0.532 288 D N -0.441 120.000 120.400 0.068 0.000 2.498 288 D HA 0.735 5.375 4.640 -0.000 0.000 0.247 288 D C -0.330 175.990 176.300 0.033 0.000 1.070 288 D CA -0.299 53.728 54.000 0.044 0.000 0.842 288 D CB 1.820 42.642 40.800 0.037 0.000 1.361 288 D HN 0.656 nan 8.370 nan 0.000 0.484 289 G N -0.599 108.217 108.800 0.027 0.000 2.368 289 G HA2 0.640 4.600 3.960 -0.000 0.000 0.293 289 G HA3 0.640 4.600 3.960 -0.000 0.000 0.293 289 G C -1.965 172.952 174.900 0.028 0.000 1.467 289 G CA -0.451 44.666 45.100 0.029 0.000 0.804 289 G HN 0.586 nan 8.290 nan 0.000 0.535 290 A N -0.990 121.849 122.820 0.032 0.000 2.515 290 A HA 1.067 5.387 4.320 -0.000 0.000 0.298 290 A C -0.260 177.349 177.584 0.042 0.000 1.059 290 A CA 0.145 52.202 52.037 0.033 0.000 0.698 290 A CB 1.661 20.678 19.000 0.029 0.000 1.289 290 A HN 2.479 nan 8.150 nan 0.000 0.404 291 A N 0.356 123.203 122.820 0.045 0.000 2.386 291 A HA 0.969 5.289 4.320 -0.000 0.000 0.311 291 A C -0.295 177.318 177.584 0.048 0.000 1.068 291 A CA 0.002 52.072 52.037 0.054 0.000 0.743 291 A CB 1.497 20.534 19.000 0.062 0.000 1.258 291 A HN 2.532 nan 8.150 nan 0.000 0.429 292 A N 1.097 123.947 122.820 0.051 0.000 2.475 292 A HA 0.784 5.104 4.320 -0.000 0.000 0.301 292 A C -1.664 175.945 177.584 0.042 0.000 1.059 292 A CA -0.375 51.687 52.037 0.041 0.000 0.710 292 A CB 1.083 20.104 19.000 0.035 0.000 1.288 292 A HN 0.851 nan 8.150 nan 0.000 0.408 293 L N 1.337 122.575 121.223 0.026 0.000 2.386 293 L HA 0.552 4.892 4.340 -0.000 0.000 0.271 293 L C -0.367 176.503 176.870 -0.000 0.000 0.993 293 L CA -0.518 54.331 54.840 0.015 0.000 0.819 293 L CB 2.073 44.135 42.059 0.006 0.000 1.294 293 L HN 0.439 nan 8.230 nan 0.000 0.414 294 V N 4.566 124.478 119.914 -0.003 0.000 2.406 294 V HA 0.402 4.522 4.120 -0.000 0.000 0.272 294 V C 0.024 176.105 176.094 -0.021 0.000 1.043 294 V CA -0.336 61.956 62.300 -0.013 0.000 0.915 294 V CB 1.044 32.862 31.823 -0.007 0.000 0.988 294 V HN 0.471 nan 8.190 nan 0.000 0.466 295 L N 7.029 128.235 121.223 -0.029 0.000 2.334 295 L HA 0.796 5.136 4.340 -0.000 0.000 0.276 295 L C -0.168 176.685 176.870 -0.029 0.000 1.014 295 L CA -0.459 54.363 54.840 -0.029 0.000 0.815 295 L CB 1.749 43.787 42.059 -0.035 0.000 1.268 295 L HN 0.712 nan 8.230 nan 0.000 0.428 296 M N -0.074 119.514 119.600 -0.021 0.000 2.683 296 M HA 0.556 5.036 4.480 -0.000 0.000 0.274 296 M C -0.403 175.890 176.300 -0.011 0.000 1.272 296 M CA -0.826 54.463 55.300 -0.018 0.000 0.833 296 M CB 2.043 34.633 32.600 -0.017 0.000 1.708 296 M HN 0.472 nan 8.290 nan 0.000 0.463 297 T N -0.811 113.737 114.554 -0.010 0.000 2.860 297 T HA 0.537 4.887 4.350 -0.000 0.000 0.299 297 T C 1.171 175.866 174.700 -0.008 0.000 1.045 297 T CA -0.097 61.999 62.100 -0.007 0.000 1.071 297 T CB 1.148 70.011 68.868 -0.007 0.000 0.985 297 T HN 0.826 nan 8.240 nan 0.000 0.537 298 A N 1.323 124.138 122.820 -0.007 0.000 1.908 298 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 298 A C 2.056 179.635 177.584 -0.009 0.000 1.181 298 A CA 1.810 53.841 52.037 -0.009 0.000 0.627 298 A CB -1.024 17.970 19.000 -0.009 0.000 0.818 298 A HN 0.910 nan 8.150 nan 0.000 0.445 299 D N -0.144 120.251 120.400 -0.008 0.000 2.144 299 D HA -0.054 4.586 4.640 -0.000 0.000 0.199 299 D C 2.201 178.497 176.300 -0.007 0.000 0.984 299 D CA 1.522 55.518 54.000 -0.007 0.000 0.834 299 D CB -0.345 40.452 40.800 -0.005 0.000 0.955 299 D HN 0.446 nan 8.370 nan 0.000 0.465 300 A N 0.798 123.614 122.820 -0.007 0.000 1.929 300 A HA 0.071 4.391 4.320 -0.000 0.000 0.216 300 A C 2.295 179.874 177.584 -0.008 0.000 1.176 300 A CA 1.769 53.801 52.037 -0.007 0.000 0.628 300 A CB -0.579 18.415 19.000 -0.009 0.000 0.816 300 A HN 0.211 nan 8.150 nan 0.000 0.444 301 A N 0.063 122.877 122.820 -0.010 0.000 1.940 301 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 301 A C 2.121 179.699 177.584 -0.010 0.000 1.176 301 A CA 1.844 53.874 52.037 -0.011 0.000 0.631 301 A CB -0.408 18.584 19.000 -0.013 0.000 0.814 301 A HN 0.534 nan 8.150 nan 0.000 0.446 302 K N -0.918 119.476 120.400 -0.009 0.000 2.002 302 K HA -0.154 4.166 4.320 -0.000 0.000 0.209 302 K C 2.405 179.001 176.600 -0.007 0.000 1.048 302 K CA 1.455 57.737 56.287 -0.008 0.000 0.930 302 K CB -0.246 32.249 32.500 -0.008 0.000 0.714 302 K HN 0.468 nan 8.250 nan 0.000 0.438 303 R N 0.774 121.270 120.500 -0.006 0.000 2.103 303 R HA -0.152 4.188 4.340 -0.000 0.000 0.242 303 R C 1.689 177.987 176.300 -0.004 0.000 1.142 303 R CA 1.277 57.374 56.100 -0.004 0.000 0.960 303 R CB -0.050 30.248 30.300 -0.004 0.000 0.858 303 R HN 0.044 nan 8.270 nan 0.000 0.439 304 L N 1.188 122.408 121.223 -0.005 0.000 2.591 304 L HA 0.067 4.407 4.340 -0.000 0.000 0.228 304 L C 0.194 177.061 176.870 -0.005 0.000 1.133 304 L CA 0.730 55.567 54.840 -0.005 0.000 0.880 304 L CB -1.163 40.892 42.059 -0.005 0.000 1.033 304 L HN 0.317 nan 8.230 nan 0.000 0.450 305 N N -0.336 118.360 118.700 -0.005 0.000 2.738 305 N HA -0.180 4.560 4.740 -0.000 0.000 0.249 305 N C -0.472 175.035 175.510 -0.006 0.000 1.047 305 N CA 0.880 53.926 53.050 -0.006 0.000 0.707 305 N CB -0.755 37.730 38.487 -0.004 0.000 0.937 305 N HN 0.173 nan 8.380 nan 0.000 0.545 306 V N -2.862 117.048 119.914 -0.007 0.000 2.715 306 V HA 0.752 4.872 4.120 -0.000 0.000 0.310 306 V C 0.638 176.725 176.094 -0.011 0.000 1.054 306 V CA -0.615 61.681 62.300 -0.008 0.000 0.928 306 V CB 2.061 33.880 31.823 -0.007 0.000 1.007 306 V HN 0.119 nan 8.190 nan 0.000 0.437 307 T N 5.957 120.504 114.554 -0.012 0.000 2.729 307 T HA 0.431 4.781 4.350 -0.000 0.000 0.296 307 T C -2.261 172.426 174.700 -0.023 0.000 0.928 307 T CA -0.481 61.609 62.100 -0.017 0.000 1.045 307 T CB 0.695 69.554 68.868 -0.016 0.000 0.902 307 T HN 0.817 nan 8.240 nan 0.000 0.500 308 P HA 0.200 nan 4.420 nan 0.000 0.271 308 P C 0.314 177.586 177.300 -0.047 0.000 1.218 308 P CA -0.494 62.585 63.100 -0.035 0.000 0.780 308 P CB 1.014 32.695 31.700 -0.032 0.000 0.901 309 L N 1.545 122.730 121.223 -0.063 0.000 2.145 309 L HA 0.273 4.613 4.340 -0.000 0.000 0.201 309 L C 1.243 178.058 176.870 -0.092 0.000 1.075 309 L CA 1.591 56.378 54.840 -0.088 0.000 0.773 309 L CB -0.848 41.130 42.059 -0.135 0.000 0.936 309 L HN 0.558 nan 8.230 nan 0.000 0.451 310 A N -1.370 121.402 122.820 -0.081 0.000 2.594 310 A HA 0.676 4.996 4.320 -0.000 0.000 0.291 310 A C -0.807 176.749 177.584 -0.047 0.000 1.105 310 A CA -0.610 51.382 52.037 -0.074 0.000 0.694 310 A CB 1.278 20.229 19.000 -0.082 0.000 1.291 310 A HN 0.007 nan 8.150 nan 0.000 0.410 311 R N 0.857 121.335 120.500 -0.037 0.000 2.532 311 R HA 0.678 5.018 4.340 -0.000 0.000 0.295 311 R C -1.321 174.991 176.300 0.020 0.000 0.968 311 R CA -0.627 55.468 56.100 -0.009 0.000 0.916 311 R CB 0.840 31.133 30.300 -0.012 0.000 1.124 311 R HN 0.667 nan 8.270 nan 0.000 0.463 312 I N 5.486 126.084 120.570 0.046 0.000 2.297 312 I HA 0.085 4.255 4.170 -0.000 0.000 0.291 312 I C 0.921 177.094 176.117 0.094 0.000 1.033 312 I CA -0.389 60.968 61.300 0.095 0.000 1.253 312 I CB 1.679 39.763 38.000 0.141 0.000 1.396 312 I HN 0.554 nan 8.210 nan 0.000 0.476 313 V N 5.862 125.825 119.914 0.081 0.000 2.374 313 V HA 0.237 4.357 4.120 -0.000 0.000 0.241 313 V C 0.860 176.924 176.094 -0.050 0.000 1.034 313 V CA 1.046 63.367 62.300 0.034 0.000 1.037 313 V CB -0.107 31.758 31.823 0.070 0.000 0.682 313 V HN 0.839 nan 8.190 nan 0.000 0.463 314 A N -0.245 122.543 122.820 -0.054 0.000 2.599 314 A HA 0.828 5.148 4.320 -0.000 0.000 0.290 314 A C -1.528 176.013 177.584 -0.072 0.000 1.101 314 A CA -0.479 51.418 52.037 -0.232 0.000 0.674 314 A CB 1.586 20.477 19.000 -0.183 0.000 1.277 314 A HN 0.438 nan 8.150 nan 0.000 0.419 315 F N -2.659 117.294 119.950 0.005 0.000 2.741 315 F HA 0.946 5.473 4.527 -0.000 0.000 0.313 315 F C -0.306 175.505 175.800 0.020 0.000 1.153 315 F CA -0.700 57.308 58.000 0.013 0.000 0.931 315 F CB 1.289 40.301 39.000 0.020 0.000 1.335 315 F HN 1.480 nan 8.300 nan 0.000 0.460 316 A N 0.293 123.283 122.820 0.284 0.000 2.612 316 A HA 0.666 4.986 4.320 -0.000 0.000 0.293 316 A C -2.277 175.404 177.584 0.163 0.000 1.075 316 A CA -0.797 51.349 52.037 0.181 0.000 0.680 316 A CB 1.684 20.745 19.000 0.101 0.000 1.279 316 A HN 0.762 nan 8.150 nan 0.000 0.411 317 D N 0.380 120.857 120.400 0.128 0.000 2.481 317 D HA 0.657 5.297 4.640 -0.000 0.000 0.244 317 D C -0.347 176.006 176.300 0.088 0.000 1.057 317 D CA 0.067 54.128 54.000 0.103 0.000 0.848 317 D CB 2.240 43.091 40.800 0.084 0.000 1.388 317 D HN 0.873 nan 8.370 nan 0.000 0.475 318 A N 0.627 123.504 122.820 0.095 0.000 2.454 318 A HA 0.871 5.191 4.320 -0.000 0.000 0.302 318 A C -1.327 176.301 177.584 0.074 0.000 1.079 318 A CA -0.606 51.483 52.037 0.088 0.000 0.731 318 A CB 2.042 21.132 19.000 0.150 0.000 1.299 318 A HN 0.598 nan 8.150 nan 0.000 0.413 319 A N 0.263 123.102 122.820 0.032 0.000 2.515 319 A HA 0.850 5.170 4.320 -0.000 0.000 0.298 319 A C -0.352 177.221 177.584 -0.019 0.000 1.059 319 A CA 0.038 52.091 52.037 0.026 0.000 0.698 319 A CB 1.205 20.212 19.000 0.012 0.000 1.289 319 A HN 2.344 nan 8.150 nan 0.000 0.404 320 V N -1.414 118.504 119.914 0.006 0.000 3.084 320 V HA 0.821 4.941 4.120 -0.000 0.000 0.311 320 V C -0.066 176.021 176.094 -0.012 0.000 1.311 320 V CA -0.955 61.329 62.300 -0.027 0.000 1.062 320 V CB 0.903 32.729 31.823 0.006 0.000 1.113 320 V HN 0.895 nan 8.190 nan 0.000 0.468 321 E N 1.781 121.968 120.200 -0.022 0.000 2.608 321 E HA 0.159 4.509 4.350 -0.000 0.000 0.259 321 E C -1.948 174.670 176.600 0.030 0.000 0.951 321 E CA -0.967 55.421 56.400 -0.020 0.000 0.945 321 E CB 1.047 30.736 29.700 -0.018 0.000 0.916 321 E HN 0.547 nan 8.360 nan 0.000 0.477 322 P HA -0.174 nan 4.420 nan 0.000 0.216 322 P C 1.296 178.730 177.300 0.223 0.000 1.150 322 P CA 0.998 64.179 63.100 0.134 0.000 0.843 322 P CB 0.067 31.861 31.700 0.157 0.000 0.787 323 I N -0.727 119.929 120.570 0.143 0.000 2.614 323 I HA -0.155 4.015 4.170 -0.000 0.000 0.258 323 I C 0.522 176.644 176.117 0.009 0.000 1.189 323 I CA 1.485 62.854 61.300 0.114 0.000 1.462 323 I CB -0.036 37.993 38.000 0.049 0.000 1.092 323 I HN -0.161 nan 8.210 nan 0.000 0.442 324 D N 0.391 120.798 120.400 0.012 0.000 2.358 324 D HA -0.014 4.626 4.640 -0.000 0.000 0.224 324 D C 1.648 177.912 176.300 -0.060 0.000 1.123 324 D CA 0.016 53.974 54.000 -0.069 0.000 0.833 324 D CB -0.104 40.688 40.800 -0.012 0.000 0.946 324 D HN 0.435 nan 8.370 nan 0.000 0.505 325 F N 0.976 120.946 119.950 0.035 0.000 2.184 325 F HA -0.068 4.459 4.527 -0.000 0.000 0.301 325 F C -1.117 174.716 175.800 0.055 0.000 1.076 325 F CA 0.542 58.573 58.000 0.053 0.000 1.295 325 F CB -1.966 37.070 39.000 0.060 0.000 1.026 325 F HN -0.027 nan 8.300 nan 0.000 0.494 326 P HA -0.124 nan 4.420 nan 0.000 0.220 326 P C 1.815 179.064 177.300 -0.084 0.000 1.148 326 P CA 1.906 64.848 63.100 -0.263 0.000 0.803 326 P CB -0.340 31.105 31.700 -0.424 0.000 0.782 327 I N -5.076 115.459 120.570 -0.059 0.000 3.427 327 I HA 0.193 4.363 4.170 -0.000 0.000 0.288 327 I C 1.925 178.093 176.117 0.085 0.000 1.249 327 I CA 0.468 61.758 61.300 -0.017 0.000 1.421 327 I CB -0.805 37.199 38.000 0.006 0.000 1.086 327 I HN -0.229 nan 8.210 nan 0.000 0.448 328 A N 2.777 125.703 122.820 0.178 0.000 1.927 328 A HA -0.110 4.210 4.320 -0.000 0.000 0.220 328 A C 0.182 177.883 177.584 0.195 0.000 1.185 328 A CA 2.053 54.243 52.037 0.255 0.000 0.639 328 A CB -2.071 17.057 19.000 0.213 0.000 0.820 328 A HN 0.416 nan 8.150 nan 0.000 0.451 329 P HA -0.070 nan 4.420 nan 0.000 0.222 329 P C 1.482 178.810 177.300 0.047 0.000 1.147 329 P CA 0.980 64.140 63.100 0.100 0.000 0.790 329 P CB -0.143 31.611 31.700 0.089 0.000 0.780 330 V N -1.451 118.420 119.914 -0.072 0.000 2.261 330 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 330 V C 2.105 178.077 176.094 -0.203 0.000 1.047 330 V CA 1.882 64.049 62.300 -0.223 0.000 1.015 330 V CB -1.526 30.012 31.823 -0.476 0.000 0.642 330 V HN 0.041 nan 8.190 nan 0.000 0.446 331 Y N 0.838 121.162 120.300 0.041 0.000 2.181 331 Y HA -0.107 4.443 4.550 -0.000 0.000 0.288 331 Y C 2.562 178.494 175.900 0.053 0.000 1.146 331 Y CA 1.219 59.343 58.100 0.040 0.000 1.164 331 Y CB -1.174 37.304 38.460 0.029 0.000 0.982 331 Y HN 0.176 nan 8.280 nan 0.000 0.515 332 A N 0.168 123.112 122.820 0.206 0.000 1.902 332 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 332 A C 2.463 180.125 177.584 0.130 0.000 1.181 332 A CA 1.789 53.918 52.037 0.154 0.000 0.623 332 A CB -1.217 17.869 19.000 0.144 0.000 0.818 332 A HN 0.404 nan 8.150 nan 0.000 0.443 333 A N -0.551 122.349 122.820 0.134 0.000 1.902 333 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 333 A C 2.445 180.103 177.584 0.124 0.000 1.181 333 A CA 2.050 54.181 52.037 0.155 0.000 0.623 333 A CB -0.889 18.271 19.000 0.268 0.000 0.818 333 A HN 0.446 nan 8.150 nan 0.000 0.443 334 S N -0.385 115.377 115.700 0.104 0.000 2.368 334 S HA -0.179 4.291 4.470 -0.000 0.000 0.225 334 S C 2.008 176.650 174.600 0.071 0.000 1.030 334 S CA 1.834 60.084 58.200 0.083 0.000 0.999 334 S CB -0.426 62.819 63.200 0.074 0.000 0.844 334 S HN 0.572 nan 8.310 nan 0.000 0.459 335 M N 0.589 120.240 119.600 0.084 0.000 2.108 335 M HA -0.109 4.371 4.480 -0.000 0.000 0.261 335 M C 2.126 178.442 176.300 0.026 0.000 1.066 335 M CA 1.226 56.561 55.300 0.059 0.000 1.107 335 M CB -0.620 32.023 32.600 0.072 0.000 1.356 335 M HN 0.153 nan 8.290 nan 0.000 0.406 336 V N 0.630 120.561 119.914 0.029 0.000 2.295 336 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 336 V C 2.270 178.340 176.094 -0.040 0.000 1.049 336 V CA 1.687 63.982 62.300 -0.008 0.000 1.024 336 V CB -0.634 31.192 31.823 0.006 0.000 0.648 336 V HN 0.448 nan 8.190 nan 0.000 0.447 337 L N -0.157 121.051 121.223 -0.025 0.000 2.017 337 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 337 L C 2.605 179.450 176.870 -0.043 0.000 1.073 337 L CA 2.091 56.901 54.840 -0.049 0.000 0.745 337 L CB -0.695 41.361 42.059 -0.006 0.000 0.894 337 L HN 0.308 nan 8.230 nan 0.000 0.432 338 K N 0.271 120.663 120.400 -0.014 0.000 2.063 338 K HA -0.282 4.038 4.320 -0.000 0.000 0.208 338 K C 1.813 178.396 176.600 -0.029 0.000 1.048 338 K CA 2.191 58.471 56.287 -0.013 0.000 0.928 338 K CB -0.126 32.378 32.500 0.006 0.000 0.713 338 K HN 0.202 nan 8.250 nan 0.000 0.442 339 D N -0.236 120.143 120.400 -0.036 0.000 2.117 339 D HA -0.126 4.514 4.640 -0.000 0.000 0.197 339 D C 1.583 177.844 176.300 -0.066 0.000 0.987 339 D CA 1.135 55.105 54.000 -0.051 0.000 0.829 339 D CB 0.188 40.950 40.800 -0.063 0.000 0.961 339 D HN 0.072 nan 8.370 nan 0.000 0.460 340 V N -0.593 119.272 119.914 -0.082 0.000 3.541 340 V HA 0.222 4.342 4.120 -0.000 0.000 0.267 340 V C 1.668 177.708 176.094 -0.090 0.000 1.213 340 V CA 0.754 62.997 62.300 -0.096 0.000 1.149 340 V CB -0.216 31.526 31.823 -0.135 0.000 0.822 340 V HN 0.512 nan 8.190 nan 0.000 0.462 341 G N 0.699 109.454 108.800 -0.075 0.000 2.176 341 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.252 341 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.252 341 G C -0.006 174.846 174.900 -0.080 0.000 1.024 341 G CA 0.357 45.420 45.100 -0.062 0.000 0.755 341 G HN 0.438 nan 8.290 nan 0.000 0.507 342 L N -0.951 120.203 121.223 -0.115 0.000 2.387 342 L HA 0.615 4.955 4.340 -0.000 0.000 0.266 342 L C 0.853 177.676 176.870 -0.078 0.000 1.059 342 L CA -0.853 53.901 54.840 -0.144 0.000 0.801 342 L CB 1.254 43.141 42.059 -0.286 0.000 1.223 342 L HN 0.039 nan 8.230 nan 0.000 0.456 343 K N 0.282 120.649 120.400 -0.055 0.000 2.156 343 K HA 0.213 4.533 4.320 -0.000 0.000 0.250 343 K C 0.718 177.344 176.600 0.043 0.000 0.955 343 K CA -0.697 55.591 56.287 0.001 0.000 0.855 343 K CB 1.819 34.326 32.500 0.012 0.000 1.101 343 K HN 0.452 nan 8.250 nan 0.000 0.434 344 K N 0.707 121.176 120.400 0.115 0.000 2.113 344 K HA -0.227 4.093 4.320 -0.000 0.000 0.208 344 K C 0.736 177.499 176.600 0.272 0.000 1.047 344 K CA 1.755 58.206 56.287 0.273 0.000 0.928 344 K CB -0.010 32.640 32.500 0.250 0.000 0.716 344 K HN 0.437 nan 8.250 nan 0.000 0.446 345 E N 1.378 121.667 120.200 0.148 0.000 2.265 345 E HA -0.125 4.225 4.350 -0.000 0.000 0.196 345 E C 1.293 177.959 176.600 0.110 0.000 0.996 345 E CA 1.195 57.670 56.400 0.125 0.000 0.832 345 E CB -0.073 29.671 29.700 0.073 0.000 0.756 345 E HN 0.372 nan 8.360 nan 0.000 0.491 346 D N -0.032 120.410 120.400 0.071 0.000 2.347 346 D HA -0.051 4.589 4.640 -0.000 0.000 0.215 346 D C 0.076 176.409 176.300 0.055 0.000 0.976 346 D CA 0.425 54.452 54.000 0.045 0.000 0.884 346 D CB 0.215 40.993 40.800 -0.037 0.000 0.915 346 D HN 0.131 nan 8.370 nan 0.000 0.526 347 I N 1.382 121.969 120.570 0.028 0.000 2.337 347 I HA 0.101 4.271 4.170 -0.000 0.000 0.291 347 I C 1.485 177.603 176.117 0.001 0.000 1.046 347 I CA -0.585 60.653 61.300 -0.104 0.000 1.324 347 I CB 0.687 38.353 38.000 -0.557 0.000 1.409 347 I HN -0.195 nan 8.210 nan 0.000 0.494 348 A N 7.031 129.854 122.820 0.005 0.000 1.930 348 A HA 0.025 4.345 4.320 -0.000 0.000 0.217 348 A C 1.082 178.699 177.584 0.054 0.000 1.175 348 A CA 1.026 53.086 52.037 0.038 0.000 0.627 348 A CB 0.146 19.154 19.000 0.012 0.000 0.815 348 A HN 0.692 nan 8.150 nan 0.000 0.443 349 M N -1.181 118.408 119.600 -0.019 0.000 2.277 349 M HA 0.447 4.927 4.480 -0.000 0.000 0.282 349 M C -2.377 173.910 176.300 -0.022 0.000 1.074 349 M CA -0.450 54.881 55.300 0.052 0.000 0.954 349 M CB 1.438 34.050 32.600 0.021 0.000 1.672 349 M HN 0.315 nan 8.290 nan 0.000 0.471 350 W N 3.270 124.603 121.300 0.054 0.000 2.469 350 W HA 0.463 5.123 4.660 -0.000 0.000 0.320 350 W C -0.173 176.389 176.519 0.073 0.000 1.086 350 W CA -0.247 57.132 57.345 0.057 0.000 1.211 350 W CB 1.086 30.573 29.460 0.045 0.000 1.298 350 W HN 0.371 nan 8.180 nan 0.000 0.525 351 E N 2.935 123.302 120.200 0.279 0.000 2.346 351 E HA 0.254 4.604 4.350 -0.000 0.000 0.239 351 E C -1.194 175.527 176.600 0.200 0.000 0.943 351 E CA -0.556 55.972 56.400 0.213 0.000 0.751 351 E CB 1.565 31.366 29.700 0.168 0.000 1.241 351 E HN 0.144 nan 8.360 nan 0.000 0.423 352 V N 3.383 123.411 119.914 0.190 0.000 2.333 352 V HA 0.117 4.237 4.120 -0.000 0.000 0.274 352 V C 0.486 176.624 176.094 0.073 0.000 1.028 352 V CA -0.934 61.446 62.300 0.133 0.000 0.851 352 V CB 0.839 32.720 31.823 0.096 0.000 1.000 352 V HN 0.462 nan 8.190 nan 0.000 0.456 353 N N 3.939 122.667 118.700 0.047 0.000 2.359 353 N HA -0.051 4.689 4.740 -0.000 0.000 0.261 353 N C 0.559 176.034 175.510 -0.059 0.000 1.267 353 N CA 0.369 53.406 53.050 -0.022 0.000 0.864 353 N CB 0.464 38.913 38.487 -0.063 0.000 1.063 353 N HN 0.686 nan 8.380 nan 0.000 0.474 354 E N 2.972 123.124 120.200 -0.081 0.000 2.515 354 E HA 0.086 4.436 4.350 -0.000 0.000 0.315 354 E C 0.828 177.319 176.600 -0.181 0.000 1.523 354 E CA -0.317 56.044 56.400 -0.065 0.000 1.704 354 E CB -0.080 29.642 29.700 0.037 0.000 1.395 354 E HN 0.657 nan 8.360 nan 0.000 0.490 355 A N 1.487 124.180 122.820 -0.212 0.000 1.917 355 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 355 A C 0.441 177.652 177.584 -0.622 0.000 1.182 355 A CA 1.299 53.118 52.037 -0.363 0.000 0.633 355 A CB -0.045 18.929 19.000 -0.043 0.000 0.819 355 A HN 0.360 nan 8.150 nan 0.000 0.448 356 F N -3.475 116.492 119.950 0.029 0.000 2.601 356 F HA 0.400 4.927 4.527 -0.000 0.000 0.309 356 F C 1.285 177.066 175.800 -0.031 0.000 1.089 356 F CA -0.377 57.642 58.000 0.033 0.000 0.940 356 F CB 1.568 40.590 39.000 0.035 0.000 1.273 356 F HN -0.115 nan 8.300 nan 0.000 0.450 357 S N 1.355 117.157 115.700 0.170 0.000 2.374 357 S HA -0.166 4.304 4.470 -0.000 0.000 0.227 357 S C 2.117 176.627 174.600 -0.150 0.000 1.037 357 S CA 1.197 59.395 58.200 -0.004 0.000 1.024 357 S CB -0.251 63.056 63.200 0.178 0.000 0.861 357 S HN 0.658 nan 8.310 nan 0.000 0.456 358 L N 2.235 123.455 121.223 -0.005 0.000 2.021 358 L HA -0.154 4.186 4.340 -0.000 0.000 0.215 358 L C 2.135 178.940 176.870 -0.108 0.000 1.074 358 L CA 2.019 56.822 54.840 -0.062 0.000 0.760 358 L CB -1.279 40.745 42.059 -0.058 0.000 0.889 358 L HN 0.221 nan 8.230 nan 0.000 0.433 359 V N -0.245 119.644 119.914 -0.041 0.000 2.287 359 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 359 V C 2.783 178.798 176.094 -0.133 0.000 1.053 359 V CA 1.673 63.942 62.300 -0.051 0.000 1.027 359 V CB -0.603 31.269 31.823 0.082 0.000 0.646 359 V HN 0.360 nan 8.190 nan 0.000 0.447 360 V N -0.188 119.583 119.914 -0.237 0.000 2.295 360 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 360 V C 2.305 178.211 176.094 -0.313 0.000 1.049 360 V CA 1.929 64.036 62.300 -0.322 0.000 1.024 360 V CB -0.636 30.834 31.823 -0.589 0.000 0.648 360 V HN 0.441 nan 8.190 nan 0.000 0.447 361 L N 0.275 121.287 121.223 -0.352 0.000 2.083 361 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 361 L C 2.727 179.500 176.870 -0.162 0.000 1.083 361 L CA 1.505 56.213 54.840 -0.220 0.000 0.752 361 L CB -0.818 41.138 42.059 -0.173 0.000 0.899 361 L HN 0.356 nan 8.230 nan 0.000 0.433 362 A N 0.015 122.741 122.820 -0.157 0.000 1.898 362 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 362 A C 2.116 179.610 177.584 -0.151 0.000 1.181 362 A CA 1.684 53.637 52.037 -0.139 0.000 0.620 362 A CB -0.567 18.351 19.000 -0.137 0.000 0.819 362 A HN 0.461 nan 8.150 nan 0.000 0.442 363 N N -0.230 118.374 118.700 -0.159 0.000 2.142 363 N HA -0.068 4.672 4.740 -0.000 0.000 0.186 363 N C 1.740 177.117 175.510 -0.222 0.000 1.023 363 N CA 1.461 54.404 53.050 -0.178 0.000 0.852 363 N CB -0.227 38.172 38.487 -0.147 0.000 0.998 363 N HN 0.501 nan 8.380 nan 0.000 0.424 364 I N 1.565 122.008 120.570 -0.211 0.000 2.286 364 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 364 I C 2.584 178.593 176.117 -0.181 0.000 1.115 364 I CA 1.087 62.257 61.300 -0.217 0.000 1.392 364 I CB -0.110 37.795 38.000 -0.158 0.000 1.065 364 I HN 0.115 nan 8.210 nan 0.000 0.418 365 K N 1.009 121.320 120.400 -0.148 0.000 1.985 365 K HA -0.172 4.148 4.320 -0.000 0.000 0.210 365 K C 2.222 178.746 176.600 -0.127 0.000 1.047 365 K CA 1.631 57.846 56.287 -0.120 0.000 0.932 365 K CB -0.058 32.380 32.500 -0.103 0.000 0.716 365 K HN 0.152 nan 8.250 nan 0.000 0.439 366 M N 0.457 119.969 119.600 -0.146 0.000 2.200 366 M HA -0.100 4.380 4.480 -0.000 0.000 0.265 366 M C 1.956 178.162 176.300 -0.156 0.000 1.066 366 M CA 1.262 56.474 55.300 -0.147 0.000 1.127 366 M CB 0.037 32.530 32.600 -0.179 0.000 1.379 366 M HN 0.148 nan 8.290 nan 0.000 0.420 367 L N -0.456 120.652 121.223 -0.192 0.000 2.341 367 L HA 0.007 4.347 4.340 -0.000 0.000 0.214 367 L C 0.080 176.842 176.870 -0.180 0.000 1.115 367 L CA 0.221 54.940 54.840 -0.201 0.000 0.820 367 L CB -0.193 41.681 42.059 -0.309 0.000 0.944 367 L HN 0.289 nan 8.230 nan 0.000 0.452 368 E N 1.359 121.454 120.200 -0.175 0.000 2.287 368 E HA -0.195 4.155 4.350 -0.000 0.000 0.229 368 E C -0.259 176.249 176.600 -0.154 0.000 1.194 368 E CA 0.248 56.568 56.400 -0.135 0.000 0.704 368 E CB -1.319 28.330 29.700 -0.086 0.000 1.216 368 E HN 0.462 nan 8.360 nan 0.000 0.381 369 I N -2.402 118.023 120.570 -0.243 0.000 3.076 369 I HA 0.557 4.727 4.170 -0.000 0.000 0.313 369 I C 0.340 176.348 176.117 -0.182 0.000 1.053 369 I CA -0.862 60.276 61.300 -0.270 0.000 1.048 369 I CB 1.374 38.993 38.000 -0.635 0.000 1.264 369 I HN -0.113 nan 8.210 nan 0.000 0.498 370 D N 3.484 123.818 120.400 -0.110 0.000 2.338 370 D HA 0.283 4.923 4.640 -0.000 0.000 0.255 370 D C -1.880 174.394 176.300 -0.043 0.000 1.237 370 D CA -2.148 51.826 54.000 -0.043 0.000 0.883 370 D CB 1.488 42.298 40.800 0.016 0.000 1.087 370 D HN 0.244 nan 8.370 nan 0.000 0.485 371 P HA -0.161 nan 4.420 nan 0.000 0.217 371 P C 1.078 178.398 177.300 0.034 0.000 1.148 371 P CA 0.961 64.062 63.100 0.002 0.000 0.828 371 P CB 0.261 31.972 31.700 0.017 0.000 0.783 372 Q N -0.535 119.282 119.800 0.030 0.000 2.439 372 Q HA -0.094 4.246 4.340 -0.000 0.000 0.211 372 Q C 1.393 177.434 176.000 0.068 0.000 0.978 372 Q CA 1.175 57.001 55.803 0.039 0.000 0.897 372 Q CB -0.402 28.354 28.738 0.030 0.000 0.956 372 Q HN 0.423 nan 8.270 nan 0.000 0.483 373 K N -0.099 120.358 120.400 0.095 0.000 2.358 373 K HA 0.175 4.495 4.320 -0.000 0.000 0.197 373 K C -0.239 176.502 176.600 0.235 0.000 1.025 373 K CA -0.024 56.367 56.287 0.175 0.000 1.104 373 K CB 1.155 33.810 32.500 0.259 0.000 0.855 373 K HN -0.105 nan 8.250 nan 0.000 0.531 374 V N 2.599 122.610 119.914 0.162 0.000 2.417 374 V HA 0.143 4.263 4.120 -0.000 0.000 0.291 374 V C -0.208 175.991 176.094 0.176 0.000 1.024 374 V CA -1.035 61.378 62.300 0.188 0.000 0.861 374 V CB 1.264 33.148 31.823 0.100 0.000 0.985 374 V HN 0.399 nan 8.190 nan 0.000 0.436 375 N N 3.231 122.047 118.700 0.194 0.000 2.725 375 N HA -0.172 4.568 4.740 -0.000 0.000 0.251 375 N C 0.919 176.491 175.510 0.104 0.000 1.031 375 N CA 0.405 53.550 53.050 0.157 0.000 0.720 375 N CB -0.559 38.040 38.487 0.186 0.000 0.930 375 N HN 0.595 nan 8.380 nan 0.000 0.543 376 I N -0.285 120.358 120.570 0.121 0.000 2.248 376 I HA -0.198 3.972 4.170 -0.000 0.000 0.248 376 I C 1.309 177.457 176.117 0.052 0.000 1.107 376 I CA 1.458 62.807 61.300 0.081 0.000 1.373 376 I CB -0.387 37.665 38.000 0.087 0.000 1.055 376 I HN 0.250 nan 8.210 nan 0.000 0.418 377 N N 0.861 119.608 118.700 0.078 0.000 2.389 377 N HA 0.339 5.079 4.740 -0.000 0.000 0.260 377 N C 0.656 176.179 175.510 0.021 0.000 1.191 377 N CA 0.703 53.768 53.050 0.026 0.000 0.885 377 N CB 1.128 39.633 38.487 0.029 0.000 1.162 377 N HN 0.430 nan 8.380 nan 0.000 0.512 378 G N -0.888 107.911 108.800 -0.001 0.000 2.685 378 G HA2 0.189 4.149 3.960 -0.000 0.000 0.387 378 G HA3 0.189 4.149 3.960 -0.000 0.000 0.387 378 G C -0.259 174.625 174.900 -0.027 0.000 1.324 378 G CA -0.554 44.531 45.100 -0.025 0.000 0.878 378 G HN 0.564 nan 8.290 nan 0.000 0.527 379 G N -2.869 105.906 108.800 -0.041 0.000 2.570 379 G HA2 0.761 4.721 3.960 -0.000 0.000 0.310 379 G HA3 0.761 4.721 3.960 -0.000 0.000 0.310 379 G C 0.976 175.842 174.900 -0.057 0.000 1.266 379 G CA 1.176 46.257 45.100 -0.032 0.000 0.825 379 G HN 2.129 nan 8.290 nan 0.000 0.483 380 A N -0.834 121.944 122.820 -0.070 0.000 2.019 380 A HA 0.162 4.482 4.320 -0.000 0.000 0.219 380 A C 2.408 179.941 177.584 -0.085 0.000 1.164 380 A CA 2.363 54.341 52.037 -0.099 0.000 0.644 380 A CB -0.518 18.332 19.000 -0.250 0.000 0.805 380 A HN 0.942 nan 8.150 nan 0.000 0.449 381 V N 0.471 120.338 119.914 -0.078 0.000 2.515 381 V HA -0.182 3.938 4.120 -0.000 0.000 0.250 381 V C 2.734 178.692 176.094 -0.227 0.000 1.058 381 V CA 2.323 64.579 62.300 -0.073 0.000 1.064 381 V CB -0.267 31.576 31.823 0.033 0.000 0.675 381 V HN 0.826 nan 8.190 nan 0.000 0.461 382 S N -1.683 113.804 115.700 -0.355 0.000 2.514 382 S HA 0.202 4.672 4.470 -0.000 0.000 0.223 382 S C 1.609 176.133 174.600 -0.127 0.000 1.046 382 S CA 0.050 57.885 58.200 -0.609 0.000 0.914 382 S CB -0.015 62.651 63.200 -0.890 0.000 0.807 382 S HN 0.433 nan 8.310 nan 0.000 0.497 383 L N 1.513 122.707 121.223 -0.048 0.000 2.477 383 L HA 0.405 4.745 4.340 -0.000 0.000 0.220 383 L C 1.303 178.201 176.870 0.047 0.000 1.106 383 L CA 0.432 55.300 54.840 0.046 0.000 0.851 383 L CB -0.638 41.430 42.059 0.015 0.000 0.994 383 L HN 0.635 nan 8.230 nan 0.000 0.462 384 G N -0.138 108.680 108.800 0.030 0.000 2.662 384 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.686 384 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.686 384 G C -1.010 173.950 174.900 0.101 0.000 1.271 384 G CA -0.696 44.442 45.100 0.063 0.000 0.816 384 G HN 0.286 nan 8.290 nan 0.000 0.608 385 H N 1.135 120.188 119.070 -0.027 0.000 2.429 385 H HA 0.549 5.105 4.556 0.000 0.000 0.231 385 H C -2.545 172.763 175.328 -0.034 0.000 1.416 385 H CA -2.216 53.805 56.048 -0.044 0.000 1.443 385 H CB 0.946 30.656 29.762 -0.087 0.000 1.591 385 H HN 0.351 nan 8.280 nan 0.000 0.507 386 P HA 0.057 nan 4.420 nan 0.000 0.273 386 P C 1.717 178.944 177.300 -0.122 0.000 1.319 386 P CA -0.107 62.962 63.100 -0.052 0.000 0.885 386 P CB 0.036 31.742 31.700 0.010 0.000 1.015 387 I N 1.094 121.479 120.570 -0.307 0.000 2.208 387 I HA -0.149 4.021 4.170 -0.000 0.000 0.245 387 I C 1.770 177.812 176.117 -0.124 0.000 1.097 387 I CA 1.996 63.040 61.300 -0.426 0.000 1.363 387 I CB -1.222 36.478 38.000 -0.499 0.000 1.051 387 I HN 0.236 nan 8.210 nan 0.000 0.413 388 G N 0.810 109.562 108.800 -0.080 0.000 2.598 388 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.215 388 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.215 388 G C 1.627 176.531 174.900 0.006 0.000 1.131 388 G CA 0.518 45.601 45.100 -0.029 0.000 0.785 388 G HN 0.447 nan 8.290 nan 0.000 0.539 389 M N 0.367 119.978 119.600 0.018 0.000 2.466 389 M HA 0.095 4.575 4.480 -0.000 0.000 0.265 389 M C 2.245 178.585 176.300 0.067 0.000 1.122 389 M CA 0.793 56.117 55.300 0.040 0.000 1.157 389 M CB -0.157 32.465 32.600 0.037 0.000 1.352 389 M HN 0.142 nan 8.290 nan 0.000 0.464 390 S N 1.048 116.812 115.700 0.106 0.000 2.370 390 S HA -0.083 4.387 4.470 -0.000 0.000 0.226 390 S C 1.885 176.536 174.600 0.085 0.000 1.033 390 S CA 1.461 59.736 58.200 0.124 0.000 1.011 390 S CB -0.891 62.447 63.200 0.230 0.000 0.852 390 S HN 0.744 nan 8.310 nan 0.000 0.457 391 G N 1.093 109.942 108.800 0.082 0.000 2.450 391 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.220 391 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.220 391 G C 1.461 176.393 174.900 0.053 0.000 1.130 391 G CA 0.942 46.079 45.100 0.061 0.000 0.760 391 G HN 0.587 nan 8.290 nan 0.000 0.557 392 A N 0.454 123.305 122.820 0.051 0.000 1.898 392 A HA 0.150 4.470 4.320 -0.000 0.000 0.214 392 A C 2.275 179.899 177.584 0.067 0.000 1.183 392 A CA 1.516 53.583 52.037 0.049 0.000 0.622 392 A CB -0.394 18.632 19.000 0.044 0.000 0.824 392 A HN 0.336 nan 8.150 nan 0.000 0.444 393 R N 0.657 121.201 120.500 0.073 0.000 2.083 393 R HA -0.167 4.173 4.340 -0.000 0.000 0.237 393 R C 2.123 178.495 176.300 0.119 0.000 1.137 393 R CA 2.160 58.312 56.100 0.087 0.000 0.951 393 R CB -0.614 29.723 30.300 0.063 0.000 0.851 393 R HN 0.688 nan 8.270 nan 0.000 0.434 394 I N -1.735 118.897 120.570 0.103 0.000 2.315 394 I HA -0.131 4.039 4.170 -0.000 0.000 0.248 394 I C 1.865 178.064 176.117 0.137 0.000 1.117 394 I CA 1.064 62.443 61.300 0.131 0.000 1.404 394 I CB -0.402 37.657 38.000 0.099 0.000 1.071 394 I HN -0.051 nan 8.210 nan 0.000 0.419 395 V N 2.450 122.420 119.914 0.093 0.000 2.427 395 V HA -0.119 4.001 4.120 -0.000 0.000 0.248 395 V C 2.878 179.010 176.094 0.062 0.000 1.051 395 V CA 2.083 64.421 62.300 0.064 0.000 1.048 395 V CB -1.400 30.446 31.823 0.038 0.000 0.666 395 V HN 0.649 nan 8.190 nan 0.000 0.456 396 G N -1.196 107.661 108.800 0.095 0.000 2.448 396 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.219 396 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.219 396 G C 1.438 176.458 174.900 0.201 0.000 1.127 396 G CA 1.131 46.302 45.100 0.119 0.000 0.766 396 G HN 0.626 nan 8.290 nan 0.000 0.552 397 H N 0.375 119.519 119.070 0.124 0.000 2.333 397 H HA 0.166 4.722 4.556 0.000 0.000 0.302 397 H C 2.560 177.946 175.328 0.097 0.000 1.075 397 H CA 1.068 57.207 56.048 0.152 0.000 1.348 397 H CB -0.282 29.566 29.762 0.143 0.000 1.393 397 H HN 0.223 nan 8.280 nan 0.000 0.509 398 L N -0.365 120.852 121.223 -0.010 0.000 2.043 398 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 398 L C 2.418 179.212 176.870 -0.127 0.000 1.075 398 L CA 1.906 56.696 54.840 -0.083 0.000 0.752 398 L CB -0.766 41.280 42.059 -0.021 0.000 0.891 398 L HN 0.377 nan 8.230 nan 0.000 0.432 399 T N -2.005 112.475 114.554 -0.124 0.000 2.699 399 T HA -0.231 4.119 4.350 -0.000 0.000 0.268 399 T C 1.769 176.303 174.700 -0.276 0.000 1.036 399 T CA 1.458 63.432 62.100 -0.211 0.000 1.147 399 T CB -0.347 68.356 68.868 -0.275 0.000 0.862 399 T HN 0.398 nan 8.240 nan 0.000 0.446 400 H N 0.229 119.225 119.070 -0.123 0.000 2.415 400 H HA 0.337 4.893 4.556 -0.000 0.000 0.297 400 H C 2.538 177.748 175.328 -0.196 0.000 1.048 400 H CA 1.143 57.109 56.048 -0.137 0.000 1.365 400 H CB -0.248 29.450 29.762 -0.107 0.000 1.421 400 H HN 0.415 nan 8.280 nan 0.000 0.533 401 A N 1.158 123.862 122.820 -0.193 0.000 2.021 401 A HA 0.105 4.425 4.320 -0.000 0.000 0.216 401 A C 1.357 178.855 177.584 -0.144 0.000 1.163 401 A CA -0.086 51.810 52.037 -0.234 0.000 0.676 401 A CB -0.426 18.323 19.000 -0.419 0.000 0.818 401 A HN 0.115 nan 8.150 nan 0.000 0.453 402 L N 0.811 121.957 121.223 -0.128 0.000 2.467 402 L HA 0.104 4.444 4.340 -0.000 0.000 0.270 402 L C 0.237 177.054 176.870 -0.090 0.000 1.205 402 L CA -0.016 54.764 54.840 -0.100 0.000 0.828 402 L CB 0.513 42.510 42.059 -0.103 0.000 1.101 402 L HN 0.247 nan 8.230 nan 0.000 0.479 403 K N 1.569 121.922 120.400 -0.079 0.000 2.087 403 K HA 0.226 4.546 4.320 -0.000 0.000 0.255 403 K C -0.399 176.149 176.600 -0.087 0.000 0.988 403 K CA -0.814 55.429 56.287 -0.073 0.000 0.915 403 K CB 0.733 33.198 32.500 -0.058 0.000 1.043 403 K HN 0.449 nan 8.250 nan 0.000 0.457 404 Q N 0.404 120.156 119.800 -0.080 0.000 2.308 404 Q HA -0.097 4.243 4.340 -0.000 0.000 0.313 404 Q C 0.674 176.607 176.000 -0.111 0.000 1.075 404 Q CA 1.554 57.303 55.803 -0.090 0.000 0.995 404 Q CB -0.080 28.616 28.738 -0.070 0.000 1.107 404 Q HN 0.853 nan 8.270 nan 0.000 0.380 405 G N 3.022 111.730 108.800 -0.153 0.000 2.253 405 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.251 405 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.251 405 G C -0.201 174.517 174.900 -0.303 0.000 0.998 405 G CA 0.293 45.267 45.100 -0.209 0.000 0.621 405 G HN 0.666 nan 8.290 nan 0.000 0.524 406 E N -0.189 119.875 120.200 -0.228 0.000 2.383 406 E HA 0.423 4.773 4.350 -0.000 0.000 0.264 406 E C -0.557 175.870 176.600 -0.288 0.000 1.050 406 E CA -0.267 56.012 56.400 -0.201 0.000 0.896 406 E CB 0.523 30.161 29.700 -0.103 0.000 0.982 406 E HN 0.346 nan 8.360 nan 0.000 0.424 407 Y N -0.032 120.215 120.300 -0.088 0.000 2.323 407 Y HA 0.438 4.988 4.550 -0.000 0.000 0.331 407 Y C 0.790 176.587 175.900 -0.171 0.000 1.092 407 Y CA -0.353 57.674 58.100 -0.122 0.000 1.150 407 Y CB 1.915 40.295 38.460 -0.132 0.000 1.200 407 Y HN 0.491 nan 8.280 nan 0.000 0.472 408 G N 3.349 112.145 108.800 -0.007 0.000 2.513 408 G HA2 0.592 4.552 3.960 -0.000 0.000 0.317 408 G HA3 0.592 4.552 3.960 -0.000 0.000 0.317 408 G C -2.020 172.767 174.900 -0.188 0.000 1.277 408 G CA -0.707 44.318 45.100 -0.125 0.000 0.955 408 G HN 0.611 nan 8.290 nan 0.000 0.484 409 L N 2.111 123.110 121.223 -0.374 0.000 2.325 409 L HA 0.774 5.114 4.340 -0.000 0.000 0.281 409 L C 0.267 177.068 176.870 -0.115 0.000 1.004 409 L CA -0.648 53.987 54.840 -0.342 0.000 0.823 409 L CB 1.599 43.220 42.059 -0.731 0.000 1.236 409 L HN 0.626 nan 8.230 nan 0.000 0.415 410 A N 3.320 126.137 122.820 -0.005 0.000 2.304 410 A HA 0.799 5.119 4.320 -0.000 0.000 0.323 410 A C -0.535 177.111 177.584 0.104 0.000 1.195 410 A CA -0.314 51.769 52.037 0.076 0.000 0.826 410 A CB 1.252 20.294 19.000 0.069 0.000 1.184 410 A HN 0.669 nan 8.150 nan 0.000 0.496 411 S N 1.503 117.286 115.700 0.138 0.000 2.570 411 S HA 0.818 5.288 4.470 -0.000 0.000 0.286 411 S C -0.806 173.858 174.600 0.108 0.000 1.099 411 S CA -0.571 57.708 58.200 0.132 0.000 0.913 411 S CB 1.439 64.738 63.200 0.165 0.000 1.085 411 S HN 1.248 nan 8.310 nan 0.000 0.480 412 I N 1.984 122.614 120.570 0.100 0.000 2.586 412 I HA 0.433 4.603 4.170 -0.000 0.000 0.288 412 I C -0.379 175.802 176.117 0.107 0.000 1.147 412 I CA -0.704 60.649 61.300 0.088 0.000 1.047 412 I CB 1.112 39.155 38.000 0.072 0.000 1.244 412 I HN 1.217 nan 8.210 nan 0.000 0.429 413 C N 5.577 124.957 119.300 0.134 0.000 2.595 413 C HA 0.649 5.109 4.460 -0.000 0.000 0.384 413 C C -0.185 174.878 174.990 0.122 0.000 1.289 413 C CA -0.327 58.803 59.018 0.187 0.000 2.372 413 C CB 0.331 28.280 27.740 0.348 0.000 2.593 413 C HN 0.874 nan 8.230 nan 0.000 0.639 414 N N 0.625 119.375 118.700 0.083 0.000 2.277 414 N HA 0.418 5.158 4.740 -0.000 0.000 0.286 414 N C -0.274 175.164 175.510 -0.120 0.000 1.140 414 N CA -0.276 52.762 53.050 -0.021 0.000 0.799 414 N CB 1.770 40.262 38.487 0.008 0.000 1.596 414 N HN 1.103 nan 8.380 nan 0.000 0.473 415 G N -0.756 107.913 108.800 -0.219 0.000 2.287 415 G HA2 0.324 4.284 3.960 -0.000 0.000 0.235 415 G HA3 0.324 4.284 3.960 -0.000 0.000 0.235 415 G C 1.179 176.044 174.900 -0.059 0.000 1.258 415 G CA 0.577 45.533 45.100 -0.240 0.000 0.884 415 G HN 1.392 nan 8.290 nan 0.000 0.518 416 G N 0.421 109.238 108.800 0.027 0.000 2.213 416 G HA2 0.233 4.193 3.960 -0.000 0.000 0.226 416 G HA3 0.233 4.193 3.960 -0.000 0.000 0.226 416 G C 1.311 176.292 174.900 0.135 0.000 0.992 416 G CA 0.852 46.046 45.100 0.157 0.000 0.632 416 G HN 2.693 nan 8.290 nan 0.000 0.511 417 G N -0.994 107.898 108.800 0.154 0.000 2.141 417 G HA2 0.372 4.332 3.960 -0.000 0.000 0.195 417 G HA3 0.372 4.332 3.960 -0.000 0.000 0.195 417 G C 1.007 175.994 174.900 0.144 0.000 1.012 417 G CA 0.819 46.032 45.100 0.188 0.000 0.696 417 G HN 2.014 nan 8.290 nan 0.000 0.508 418 G N -1.097 107.780 108.800 0.128 0.000 2.552 418 G HA2 1.079 5.039 3.960 -0.000 0.000 0.324 418 G HA3 1.079 5.039 3.960 -0.000 0.000 0.324 418 G C -0.242 174.736 174.900 0.131 0.000 1.217 418 G CA -0.004 45.160 45.100 0.106 0.000 0.989 418 G HN 1.729 nan 8.290 nan 0.000 0.490 419 A N -0.634 122.256 122.820 0.117 0.000 2.604 419 A HA 0.782 5.102 4.320 -0.000 0.000 0.295 419 A C -0.498 177.148 177.584 0.104 0.000 1.067 419 A CA -0.479 51.630 52.037 0.120 0.000 0.683 419 A CB 1.359 20.445 19.000 0.143 0.000 1.281 419 A HN 0.981 nan 8.150 nan 0.000 0.407 420 S N -0.391 115.366 115.700 0.095 0.000 2.578 420 S HA 0.911 5.381 4.470 -0.000 0.000 0.301 420 S C -0.198 174.465 174.600 0.105 0.000 1.091 420 S CA 0.030 58.286 58.200 0.093 0.000 1.032 420 S CB 1.782 65.019 63.200 0.063 0.000 1.064 420 S HN 1.923 nan 8.310 nan 0.000 0.508 421 A N 2.036 124.929 122.820 0.121 0.000 2.486 421 A HA 0.842 5.162 4.320 -0.000 0.000 0.300 421 A C -1.108 176.563 177.584 0.145 0.000 1.048 421 A CA -0.610 51.500 52.037 0.122 0.000 0.696 421 A CB 1.514 20.588 19.000 0.124 0.000 1.278 421 A HN 0.820 nan 8.150 nan 0.000 0.405 422 M N 2.455 122.123 119.600 0.114 0.000 2.326 422 M HA 0.649 5.129 4.480 -0.000 0.000 0.292 422 M C -2.236 174.102 176.300 0.064 0.000 1.081 422 M CA -0.876 54.508 55.300 0.139 0.000 0.919 422 M CB 1.748 34.420 32.600 0.121 0.000 1.634 422 M HN 0.768 nan 8.290 nan 0.000 0.451 423 L N 7.169 128.428 121.223 0.060 0.000 2.282 423 L HA 0.769 5.109 4.340 -0.000 0.000 0.288 423 L C -1.185 175.722 176.870 0.061 0.000 1.033 423 L CA -0.332 54.512 54.840 0.008 0.000 0.807 423 L CB 1.300 43.331 42.059 -0.046 0.000 1.209 423 L HN 0.739 nan 8.230 nan 0.000 0.423 424 I N 1.409 122.012 120.570 0.056 0.000 2.892 424 I HA 0.648 4.818 4.170 -0.000 0.000 0.306 424 I C -1.167 174.989 176.117 0.065 0.000 1.078 424 I CA -0.756 60.578 61.300 0.057 0.000 1.032 424 I CB 2.061 40.069 38.000 0.013 0.000 1.229 424 I HN 0.756 nan 8.210 nan 0.000 0.435 425 Q N 3.092 122.888 119.800 -0.007 0.000 2.321 425 Q HA 0.384 4.724 4.340 -0.000 0.000 0.270 425 Q C -1.177 174.728 176.000 -0.157 0.000 1.032 425 Q CA -0.962 54.742 55.803 -0.166 0.000 0.784 425 Q CB 2.146 30.686 28.738 -0.329 0.000 1.264 425 Q HN 0.646 nan 8.270 nan 0.000 0.448 426 K N 2.664 122.958 120.400 -0.176 0.000 2.401 426 K HA 0.184 4.504 4.320 -0.000 0.000 0.278 426 K C -0.832 175.688 176.600 -0.134 0.000 1.018 426 K CA -0.029 56.174 56.287 -0.139 0.000 0.981 426 K CB 0.339 32.761 32.500 -0.131 0.000 0.933 426 K HN 0.456 nan 8.250 nan 0.000 0.477 427 L N 0.000 121.161 121.223 -0.103 0.000 2.949 427 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 427 L CA 0.000 54.788 54.840 -0.086 0.000 0.813 427 L CB 0.000 42.018 42.059 -0.068 0.000 0.961 427 L HN 0.000 nan 8.230 nan 0.000 0.502