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 1nyr_1_A DATA FIRST_RESID 4 DATA SEQUENCE INIQFPDGNK KAFDKGTTTE DIAQSISPGL RKKAVAGKFN GQLVDLTKPL DATA SEQUENCE ETDGSIEIVT PGSEEALEVL RHSTAHLMAH AIKRLYGNVK FGVGPVIEGG DATA SEQUENCE FYYDFDIDQN ISSDDFEQIE KTMKQIVNEN MKIERKVVSR DEAKELFSND DATA SEQUENCE EYKLELIDAI PEDENVTLYS QGDFTDLCRG VHVPSTAKIK EFKLLSTAGA DATA SEQUENCE YWRGDSNNKM LQRIYGTAFF DKKELKAHLQ MLEERKERDH RKIGKELELF DATA SEQUENCE TNSQLVGAGL PLWLPNGATI RREIERYIVD KEVSMGYDHV YTPVLANVDL DATA SEQUENCE YKTSGHWDHY QEDMFPPMQL DETESMVLRP MNCPHHMMIY ANKPHSYREL DATA SEQUENCE PIRIAELGTM HRYEASGAVS GLQRVRGMTL NDSHIFVRPD QIKEEFKRVV DATA SEQUENCE NMIIDVYKDF GFEDYSFRLS YRDPEDKEKY FDDDDMWNKA ENMLKEAADE DATA SEQUENCE LGLSYEEAIG EAAFYGPKLD VQVKTAMGKE ETLSTAQLDF LLPERFDLTY DATA SEQUENCE IGQDGEHHRP VVIHRGVVST MERFVAFLTE ETKGAFPTWL APKQVQIIPV DATA SEQUENCE NVDLHYDYAR QLQDELKSQG VRVSIDDRNE KMGYKIREAQ MQKIPYQIVV DATA SEQUENCE GDKEVENNQV NVRQYGSQDQ ETVEKDEFIW NLVDEIRLKK HR 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 4 I HA 0.000 nan 4.170 nan 0.000 0.288 4 I C 0.000 176.223 176.117 0.176 0.000 1.063 4 I CA 0.000 61.375 61.300 0.125 0.000 1.566 4 I CB 0.000 38.070 38.000 0.117 0.000 1.214 5 N N 5.920 124.715 118.700 0.158 0.000 2.508 5 N HA 0.590 5.329 4.740 -0.002 0.000 0.285 5 N C -1.267 174.367 175.510 0.207 0.000 1.144 5 N CA -0.249 52.908 53.050 0.179 0.000 0.978 5 N CB 1.494 40.054 38.487 0.121 0.000 1.180 5 N HN 0.337 nan 8.380 nan 0.000 0.484 6 I N 2.393 123.103 120.570 0.234 0.000 2.497 6 I HA 0.105 4.273 4.170 -0.002 0.000 0.284 6 I C 0.028 176.201 176.117 0.094 0.000 1.060 6 I CA -0.384 60.981 61.300 0.108 0.000 1.071 6 I CB 1.585 39.586 38.000 0.000 0.000 1.216 6 I HN 0.320 nan 8.210 nan 0.000 0.442 7 Q N 5.611 125.420 119.800 0.015 0.000 3.181 7 Q HA 0.272 4.611 4.340 -0.002 0.000 0.293 7 Q C -0.361 175.671 176.000 0.054 0.000 1.406 7 Q CA -0.503 55.339 55.803 0.064 0.000 1.026 7 Q CB -0.225 28.523 28.738 0.015 0.000 1.630 7 Q HN 0.340 nan 8.270 nan 0.000 0.553 8 F N 1.909 121.911 119.950 0.087 0.000 2.668 8 F HA -0.108 4.417 4.527 -0.003 0.000 0.338 8 F C -0.614 175.213 175.800 0.046 0.000 1.194 8 F CA -0.632 57.410 58.000 0.070 0.000 1.385 8 F CB -0.161 38.886 39.000 0.078 0.000 1.088 8 F HN 0.344 nan 8.300 nan 0.000 0.624 9 P HA -0.119 nan 4.420 nan 0.000 0.234 9 P C 0.054 177.422 177.300 0.113 0.000 1.162 9 P CA 1.119 64.300 63.100 0.134 0.000 0.759 9 P CB 0.130 31.898 31.700 0.114 0.000 0.813 10 D N -0.585 119.898 120.400 0.137 0.000 2.369 10 D HA 0.122 4.761 4.640 -0.002 0.000 0.231 10 D C 1.861 178.208 176.300 0.078 0.000 0.967 10 D CA 1.589 55.641 54.000 0.087 0.000 0.905 10 D CB -0.209 40.632 40.800 0.068 0.000 1.044 10 D HN 0.260 nan 8.370 nan 0.000 0.487 11 G N -0.043 108.820 108.800 0.105 0.000 2.672 11 G HA2 -0.177 3.781 3.960 -0.002 0.000 0.197 11 G HA3 -0.177 3.781 3.960 -0.002 0.000 0.197 11 G C -0.129 174.832 174.900 0.103 0.000 0.995 11 G CA -0.563 44.588 45.100 0.085 0.000 0.754 11 G HN 0.082 nan 8.290 nan 0.000 0.505 12 N N 2.062 120.832 118.700 0.118 0.000 2.513 12 N HA 0.416 5.155 4.740 -0.002 0.000 0.268 12 N C 0.285 175.931 175.510 0.226 0.000 1.180 12 N CA 0.395 53.512 53.050 0.112 0.000 0.948 12 N CB 1.073 39.583 38.487 0.040 0.000 1.083 12 N HN 0.394 nan 8.380 nan 0.000 0.455 13 K N 1.675 122.192 120.400 0.195 0.000 2.288 13 K HA 0.573 4.891 4.320 -0.002 0.000 0.234 13 K C -0.243 176.522 176.600 0.274 0.000 1.037 13 K CA -0.608 55.842 56.287 0.272 0.000 0.914 13 K CB 1.723 34.321 32.500 0.165 0.000 1.197 13 K HN 0.391 nan 8.250 nan 0.000 0.471 14 K N -0.303 120.290 120.400 0.321 0.000 2.610 14 K HA 0.319 4.637 4.320 -0.002 0.000 0.267 14 K C -1.796 174.900 176.600 0.159 0.000 0.943 14 K CA -0.488 55.919 56.287 0.199 0.000 0.862 14 K CB 2.224 34.888 32.500 0.274 0.000 1.376 14 K HN 0.758 nan 8.250 nan 0.000 0.412 15 A N 3.213 126.002 122.820 -0.052 0.000 2.289 15 A HA 0.745 5.064 4.320 -0.002 0.000 0.298 15 A C -1.114 176.357 177.584 -0.187 0.000 1.208 15 A CA -0.076 51.951 52.037 -0.017 0.000 0.845 15 A CB -0.161 18.824 19.000 -0.025 0.000 1.125 15 A HN 0.474 nan 8.150 nan 0.000 0.517 16 F N 0.193 120.177 119.950 0.056 0.000 2.631 16 F HA 0.402 4.928 4.527 -0.003 0.000 0.328 16 F C -0.386 175.425 175.800 0.019 0.000 1.067 16 F CA -0.750 57.273 58.000 0.039 0.000 0.969 16 F CB 1.639 40.659 39.000 0.033 0.000 1.332 16 F HN 0.505 nan 8.300 nan 0.000 0.490 17 D N 0.530 121.058 120.400 0.214 0.000 2.351 17 D HA 0.085 4.724 4.640 -0.002 0.000 0.251 17 D C -0.182 176.167 176.300 0.082 0.000 1.137 17 D CA -0.430 53.636 54.000 0.111 0.000 0.879 17 D CB 0.742 41.589 40.800 0.078 0.000 1.181 17 D HN 0.347 nan 8.370 nan 0.000 0.448 18 K N 1.646 122.081 120.400 0.058 0.000 1.948 18 K HA 0.164 4.483 4.320 -0.002 0.000 0.231 18 K C 0.654 177.260 176.600 0.011 0.000 1.136 18 K CA 0.236 56.544 56.287 0.035 0.000 1.185 18 K CB -0.816 31.706 32.500 0.035 0.000 1.090 18 K HN 0.693 nan 8.250 nan 0.000 0.302 19 G N 1.923 110.716 108.800 -0.013 0.000 3.655 19 G HA2 -0.190 3.769 3.960 -0.002 0.000 0.219 19 G HA3 -0.190 3.769 3.960 -0.002 0.000 0.219 19 G C 0.024 174.892 174.900 -0.053 0.000 0.933 19 G CA -0.084 44.998 45.100 -0.029 0.000 0.856 19 G HN 0.624 nan 8.290 nan 0.000 0.523 20 T N 1.349 115.878 114.554 -0.042 0.000 2.908 20 T HA 0.424 4.773 4.350 -0.002 0.000 0.325 20 T C 0.639 175.241 174.700 -0.165 0.000 1.092 20 T CA 1.023 63.085 62.100 -0.064 0.000 1.125 20 T CB 1.295 70.158 68.868 -0.008 0.000 1.016 20 T HN 1.188 nan 8.240 nan 0.000 0.550 21 T N -1.418 113.042 114.554 -0.156 0.000 2.942 21 T HA 0.419 4.767 4.350 -0.002 0.000 0.289 21 T C 1.444 176.012 174.700 -0.220 0.000 1.044 21 T CA -0.617 61.370 62.100 -0.190 0.000 1.023 21 T CB 1.246 70.046 68.868 -0.114 0.000 1.123 21 T HN 0.519 nan 8.240 nan 0.000 0.512 22 T N 0.521 114.943 114.554 -0.220 0.000 2.699 22 T HA -0.135 4.214 4.350 -0.002 0.000 0.268 22 T C 1.642 176.277 174.700 -0.108 0.000 1.036 22 T CA 1.839 63.827 62.100 -0.187 0.000 1.147 22 T CB -0.459 68.327 68.868 -0.137 0.000 0.862 22 T HN 0.820 nan 8.240 nan 0.000 0.446 23 E N 0.673 120.829 120.200 -0.074 0.000 2.097 23 E HA -0.225 4.124 4.350 -0.002 0.000 0.196 23 E C 1.761 178.345 176.600 -0.025 0.000 1.000 23 E CA 1.405 57.786 56.400 -0.033 0.000 0.804 23 E CB -0.048 29.640 29.700 -0.020 0.000 0.740 23 E HN 0.452 nan 8.360 nan 0.000 0.454 24 D N 0.470 120.843 120.400 -0.045 0.000 2.078 24 D HA -0.168 4.470 4.640 -0.002 0.000 0.193 24 D C 2.177 178.481 176.300 0.007 0.000 0.990 24 D CA 1.062 55.056 54.000 -0.009 0.000 0.827 24 D CB -0.404 40.388 40.800 -0.013 0.000 0.975 24 D HN 0.284 nan 8.370 nan 0.000 0.451 25 I N 1.534 122.028 120.570 -0.126 0.000 2.113 25 I HA -0.339 3.830 4.170 -0.002 0.000 0.242 25 I C 2.578 178.741 176.117 0.078 0.000 1.064 25 I CA 1.453 62.675 61.300 -0.130 0.000 1.320 25 I CB -0.316 37.479 38.000 -0.342 0.000 1.028 25 I HN -0.058 nan 8.210 nan 0.000 0.406 26 A N -0.044 122.798 122.820 0.036 0.000 1.902 26 A HA -0.293 4.025 4.320 -0.002 0.000 0.217 26 A C 2.210 179.831 177.584 0.061 0.000 1.181 26 A CA 2.058 54.131 52.037 0.060 0.000 0.623 26 A CB -0.617 18.401 19.000 0.030 0.000 0.818 26 A HN 0.473 nan 8.150 nan 0.000 0.443 27 Q N 0.937 120.769 119.800 0.053 0.000 2.079 27 Q HA -0.133 4.205 4.340 -0.002 0.000 0.200 27 Q C 2.117 178.161 176.000 0.075 0.000 0.974 27 Q CA 2.510 58.345 55.803 0.053 0.000 0.840 27 Q CB -0.690 28.075 28.738 0.045 0.000 0.898 27 Q HN 0.679 nan 8.270 nan 0.000 0.430 28 S N -1.109 114.663 115.700 0.120 0.000 2.493 28 S HA -0.081 4.388 4.470 -0.002 0.000 0.243 28 S C 1.682 176.351 174.600 0.115 0.000 0.991 28 S CA 1.104 59.398 58.200 0.156 0.000 0.957 28 S CB -0.373 63.024 63.200 0.328 0.000 0.756 28 S HN 0.485 nan 8.310 nan 0.000 0.521 29 I N -0.119 120.508 120.570 0.094 0.000 2.947 29 I HA 0.206 4.375 4.170 -0.002 0.000 0.263 29 I C 0.207 176.343 176.117 0.031 0.000 1.130 29 I CA 0.116 61.447 61.300 0.050 0.000 1.448 29 I CB 0.311 38.342 38.000 0.052 0.000 1.222 29 I HN 0.194 nan 8.210 nan 0.000 0.453 30 S N -0.610 115.112 115.700 0.037 0.000 2.580 30 S HA 0.229 4.697 4.470 -0.002 0.000 0.281 30 S C -2.373 172.242 174.600 0.026 0.000 1.129 30 S CA -0.574 57.641 58.200 0.025 0.000 0.862 30 S CB 1.951 65.162 63.200 0.017 0.000 1.090 30 S HN -0.244 nan 8.310 nan 0.000 0.451 31 P HA 0.120 nan 4.420 nan 0.000 0.224 31 P C 1.461 178.772 177.300 0.018 0.000 1.157 31 P CA 0.676 63.788 63.100 0.021 0.000 0.799 31 P CB -0.011 31.700 31.700 0.018 0.000 0.809 32 G N -0.237 108.572 108.800 0.015 0.000 2.448 32 G HA2 -0.173 3.786 3.960 -0.002 0.000 0.218 32 G HA3 -0.173 3.786 3.960 -0.002 0.000 0.218 32 G C 1.344 176.250 174.900 0.011 0.000 1.135 32 G CA 0.250 45.357 45.100 0.013 0.000 0.784 32 G HN 0.169 nan 8.290 nan 0.000 0.543 33 L N 1.649 122.880 121.223 0.014 0.000 1.973 33 L HA 0.041 4.380 4.340 -0.002 0.000 0.208 33 L C 3.012 179.890 176.870 0.014 0.000 1.073 33 L CA 2.398 57.247 54.840 0.014 0.000 0.746 33 L CB -0.925 41.148 42.059 0.024 0.000 0.891 33 L HN 0.389 nan 8.230 nan 0.000 0.433 34 R N -0.167 120.345 120.500 0.021 0.000 2.103 34 R HA -0.221 4.118 4.340 -0.002 0.000 0.242 34 R C 2.115 178.427 176.300 0.020 0.000 1.142 34 R CA 2.126 58.238 56.100 0.020 0.000 0.960 34 R CB -0.702 29.611 30.300 0.022 0.000 0.858 34 R HN 0.338 nan 8.270 nan 0.000 0.439 35 K N 0.475 120.887 120.400 0.020 0.000 2.063 35 K HA -0.155 4.164 4.320 -0.002 0.000 0.208 35 K C 2.190 178.803 176.600 0.022 0.000 1.048 35 K CA 1.852 58.153 56.287 0.023 0.000 0.928 35 K CB -0.128 32.385 32.500 0.022 0.000 0.713 35 K HN 0.271 nan 8.250 nan 0.000 0.442 36 K N 0.999 121.403 120.400 0.007 0.000 2.076 36 K HA 0.024 4.342 4.320 -0.002 0.000 0.204 36 K C 0.345 176.931 176.600 -0.024 0.000 1.051 36 K CA 0.418 56.697 56.287 -0.015 0.000 0.949 36 K CB 0.016 32.498 32.500 -0.031 0.000 0.726 36 K HN 0.095 nan 8.250 nan 0.000 0.443 37 A N 1.159 123.973 122.820 -0.008 0.000 2.603 37 A HA -0.006 4.313 4.320 -0.002 0.000 0.235 37 A C 1.047 178.644 177.584 0.022 0.000 1.035 37 A CA 0.148 52.184 52.037 -0.003 0.000 0.755 37 A CB 0.559 19.564 19.000 0.008 0.000 0.954 37 A HN 0.162 nan 8.150 nan 0.000 0.511 38 V N 1.746 121.677 119.914 0.028 0.000 2.690 38 V HA 0.443 4.562 4.120 -0.002 0.000 0.240 38 V C 1.238 177.377 176.094 0.074 0.000 1.078 38 V CA 1.891 64.243 62.300 0.087 0.000 1.102 38 V CB -0.231 31.682 31.823 0.149 0.000 0.800 38 V HN 1.299 nan 8.190 nan 0.000 0.479 39 A N -1.202 121.647 122.820 0.048 0.000 2.534 39 A HA 0.834 5.153 4.320 -0.002 0.000 0.300 39 A C -0.451 177.142 177.584 0.016 0.000 1.223 39 A CA 0.041 52.099 52.037 0.035 0.000 0.666 39 A CB 1.096 20.120 19.000 0.040 0.000 1.316 39 A HN 0.461 nan 8.150 nan 0.000 0.468 40 G N -0.029 108.776 108.800 0.010 0.000 2.662 40 G HA2 0.555 4.513 3.960 -0.002 0.000 0.302 40 G HA3 0.555 4.513 3.960 -0.002 0.000 0.302 40 G C -1.268 173.650 174.900 0.029 0.000 1.389 40 G CA -0.447 44.655 45.100 0.003 0.000 0.998 40 G HN 0.630 nan 8.290 nan 0.000 0.502 41 K N 1.756 122.181 120.400 0.043 0.000 2.316 41 K HA 0.495 4.814 4.320 -0.002 0.000 0.267 41 K C -1.581 175.092 176.600 0.123 0.000 1.025 41 K CA -0.743 55.578 56.287 0.057 0.000 0.896 41 K CB 0.766 33.281 32.500 0.026 0.000 1.124 41 K HN 0.258 nan 8.250 nan 0.000 0.451 42 F N 5.143 125.053 119.950 -0.067 0.000 2.430 42 F HA 0.290 4.815 4.527 -0.002 0.000 0.362 42 F C -0.060 175.702 175.800 -0.064 0.000 1.103 42 F CA -0.693 57.258 58.000 -0.082 0.000 1.045 42 F CB 0.147 39.094 39.000 -0.087 0.000 1.276 42 F HN 0.886 nan 8.300 nan 0.000 0.444 43 N N 3.169 121.612 118.700 -0.428 0.000 2.878 43 N HA -0.214 4.525 4.740 -0.002 0.000 0.247 43 N C 0.852 176.254 175.510 -0.179 0.000 1.021 43 N CA 0.691 53.513 53.050 -0.379 0.000 0.873 43 N CB -1.128 37.061 38.487 -0.497 0.000 1.128 43 N HN 1.082 nan 8.380 nan 0.000 0.571 44 G N -1.226 107.510 108.800 -0.106 0.000 2.697 44 G HA2 -0.238 3.720 3.960 -0.002 0.000 0.200 44 G HA3 -0.238 3.720 3.960 -0.002 0.000 0.200 44 G C -0.424 174.457 174.900 -0.031 0.000 1.106 44 G CA -0.158 44.906 45.100 -0.060 0.000 0.748 44 G HN 0.195 nan 8.290 nan 0.000 0.503 45 Q N 0.950 120.737 119.800 -0.022 0.000 2.327 45 Q HA 0.530 4.868 4.340 -0.002 0.000 0.254 45 Q C 0.338 176.352 176.000 0.024 0.000 0.952 45 Q CA -0.075 55.728 55.803 0.001 0.000 0.884 45 Q CB 1.630 30.374 28.738 0.010 0.000 1.224 45 Q HN 0.529 nan 8.270 nan 0.000 0.422 46 L N 2.711 123.939 121.223 0.007 0.000 2.319 46 L HA 0.268 4.606 4.340 -0.002 0.000 0.280 46 L C 0.319 177.197 176.870 0.015 0.000 1.099 46 L CA -0.490 54.355 54.840 0.008 0.000 0.828 46 L CB 0.773 42.822 42.059 -0.017 0.000 1.150 46 L HN 0.423 nan 8.230 nan 0.000 0.442 47 V N 0.136 120.065 119.914 0.025 0.000 3.113 47 V HA 0.601 4.719 4.120 -0.002 0.000 0.316 47 V C -0.733 175.369 176.094 0.013 0.000 1.125 47 V CA -0.989 61.322 62.300 0.018 0.000 1.026 47 V CB 2.239 34.071 31.823 0.014 0.000 1.080 47 V HN 0.648 nan 8.190 nan 0.000 0.444 48 D N 1.109 121.519 120.400 0.017 0.000 2.283 48 D HA 0.417 5.055 4.640 -0.002 0.000 0.248 48 D C 1.131 177.431 176.300 0.001 0.000 1.072 48 D CA -0.524 53.495 54.000 0.032 0.000 0.929 48 D CB 1.324 42.160 40.800 0.060 0.000 1.182 48 D HN 0.522 nan 8.370 nan 0.000 0.433 49 L N 0.748 121.976 121.223 0.008 0.000 2.450 49 L HA -0.183 4.155 4.340 -0.002 0.000 0.225 49 L C 1.825 178.674 176.870 -0.036 0.000 1.145 49 L CA 1.485 56.315 54.840 -0.016 0.000 0.801 49 L CB -0.745 41.317 42.059 0.004 0.000 0.924 49 L HN 0.644 nan 8.230 nan 0.000 0.447 50 T N -4.621 109.919 114.554 -0.024 0.000 2.978 50 T HA -0.009 4.340 4.350 -0.002 0.000 0.248 50 T C 0.926 175.597 174.700 -0.048 0.000 1.018 50 T CA -0.406 61.674 62.100 -0.033 0.000 1.026 50 T CB 0.095 68.957 68.868 -0.011 0.000 1.032 50 T HN -0.089 nan 8.240 nan 0.000 0.485 51 K N 4.372 124.748 120.400 -0.041 0.000 2.401 51 K HA 0.045 4.363 4.320 -0.002 0.000 0.267 51 K C -2.730 173.817 176.600 -0.089 0.000 1.140 51 K CA -1.215 55.044 56.287 -0.046 0.000 1.199 51 K CB -0.589 31.890 32.500 -0.034 0.000 0.822 51 K HN 0.172 nan 8.250 nan 0.000 0.488 52 P HA -0.076 nan 4.420 nan 0.000 0.261 52 P C -0.843 176.383 177.300 -0.123 0.000 1.183 52 P CA 0.369 63.417 63.100 -0.087 0.000 0.761 52 P CB 0.401 32.072 31.700 -0.049 0.000 0.785 53 L N 3.931 125.035 121.223 -0.200 0.000 2.288 53 L HA 0.161 4.499 4.340 -0.002 0.000 0.283 53 L C 1.317 178.115 176.870 -0.121 0.000 1.072 53 L CA -0.318 54.349 54.840 -0.288 0.000 0.862 53 L CB 0.703 42.365 42.059 -0.661 0.000 1.245 53 L HN 0.303 nan 8.230 nan 0.000 0.432 54 E N 0.930 121.115 120.200 -0.025 0.000 2.028 54 E HA -0.054 4.295 4.350 -0.002 0.000 0.190 54 E C 0.983 177.619 176.600 0.060 0.000 0.984 54 E CA 0.983 57.394 56.400 0.019 0.000 0.800 54 E CB 0.065 29.781 29.700 0.028 0.000 0.758 54 E HN 0.634 nan 8.360 nan 0.000 0.448 55 T N 0.431 115.057 114.554 0.120 0.000 2.907 55 T HA 0.348 4.697 4.350 -0.002 0.000 0.284 55 T C -0.018 174.833 174.700 0.253 0.000 1.004 55 T CA -1.014 61.172 62.100 0.143 0.000 1.063 55 T CB 1.327 70.260 68.868 0.108 0.000 0.992 55 T HN -0.036 nan 8.240 nan 0.000 0.483 56 D N 0.444 120.957 120.400 0.189 0.000 2.354 56 D HA 0.530 5.168 4.640 -0.002 0.000 0.238 56 D C 0.713 177.132 176.300 0.199 0.000 1.250 56 D CA -0.036 54.107 54.000 0.238 0.000 0.911 56 D CB -0.095 40.788 40.800 0.138 0.000 1.163 56 D HN 1.092 nan 8.370 nan 0.000 0.456 57 G N -1.507 107.380 108.800 0.144 0.000 2.323 57 G HA2 0.389 4.348 3.960 -0.002 0.000 0.291 57 G HA3 0.389 4.348 3.960 -0.002 0.000 0.291 57 G C -1.540 173.253 174.900 -0.179 0.000 1.278 57 G CA -0.695 44.252 45.100 -0.256 0.000 0.860 57 G HN 0.512 nan 8.290 nan 0.000 0.504 58 S N -0.014 115.470 115.700 -0.360 0.000 2.430 58 S HA 0.584 5.053 4.470 -0.002 0.000 0.289 58 S C -0.096 174.437 174.600 -0.111 0.000 1.143 58 S CA -0.196 57.891 58.200 -0.189 0.000 1.067 58 S CB 1.149 64.255 63.200 -0.157 0.000 0.964 58 S HN 0.656 nan 8.310 nan 0.000 0.485 59 I N 2.419 122.937 120.570 -0.086 0.000 2.793 59 I HA 0.555 4.723 4.170 -0.002 0.000 0.313 59 I C -0.151 175.933 176.117 -0.055 0.000 0.998 59 I CA -0.423 60.853 61.300 -0.039 0.000 1.140 59 I CB 1.397 39.222 38.000 -0.292 0.000 1.327 59 I HN 0.671 nan 8.210 nan 0.000 0.491 60 E N 4.949 125.146 120.200 -0.006 0.000 2.388 60 E HA 0.308 4.656 4.350 -0.002 0.000 0.289 60 E C -1.895 174.721 176.600 0.027 0.000 0.944 60 E CA -0.628 55.789 56.400 0.028 0.000 0.792 60 E CB 1.263 30.978 29.700 0.024 0.000 1.239 60 E HN 0.366 nan 8.360 nan 0.000 0.412 61 I N 4.051 124.647 120.570 0.042 0.000 2.304 61 I HA 0.209 4.377 4.170 -0.002 0.000 0.291 61 I C 0.207 176.335 176.117 0.018 0.000 1.018 61 I CA -0.722 60.595 61.300 0.028 0.000 1.260 61 I CB 0.926 38.951 38.000 0.041 0.000 1.390 61 I HN 0.285 nan 8.210 nan 0.000 0.475 62 V N 6.980 126.901 119.914 0.011 0.000 2.405 62 V HA 0.242 4.360 4.120 -0.002 0.000 0.264 62 V C 0.789 176.872 176.094 -0.019 0.000 1.048 62 V CA -0.213 62.090 62.300 0.005 0.000 0.966 62 V CB 0.381 32.215 31.823 0.018 0.000 1.015 62 V HN 0.917 nan 8.190 nan 0.000 0.477 63 T N 4.189 118.713 114.554 -0.049 0.000 2.932 63 T HA 0.561 4.910 4.350 -0.002 0.000 0.289 63 T C -2.806 171.760 174.700 -0.223 0.000 1.039 63 T CA -2.482 59.548 62.100 -0.116 0.000 1.024 63 T CB 1.935 70.749 68.868 -0.090 0.000 1.090 63 T HN 0.456 nan 8.240 nan 0.000 0.496 64 P HA 0.236 nan 4.420 nan 0.000 0.257 64 P C 0.790 177.883 177.300 -0.344 0.000 1.189 64 P CA 0.659 63.247 63.100 -0.853 0.000 0.780 64 P CB 0.127 30.951 31.700 -1.460 0.000 0.772 65 G N 1.752 110.458 108.800 -0.157 0.000 3.302 65 G HA2 -0.146 3.813 3.960 -0.002 0.000 0.216 65 G HA3 -0.146 3.813 3.960 -0.002 0.000 0.216 65 G C 0.372 175.281 174.900 0.015 0.000 1.008 65 G CA 0.230 45.310 45.100 -0.033 0.000 0.852 65 G HN 0.711 nan 8.290 nan 0.000 0.485 66 S N -0.131 115.573 115.700 0.007 0.000 2.641 66 S HA 0.431 4.900 4.470 -0.002 0.000 0.261 66 S C 1.199 175.838 174.600 0.065 0.000 1.257 66 S CA 0.924 59.143 58.200 0.032 0.000 0.983 66 S CB 1.764 64.978 63.200 0.024 0.000 0.990 66 S HN 0.342 nan 8.310 nan 0.000 0.572 67 E N -0.379 119.855 120.200 0.056 0.000 2.276 67 E HA 0.013 4.361 4.350 -0.002 0.000 0.193 67 E C 1.529 178.163 176.600 0.055 0.000 0.983 67 E CA 0.303 56.739 56.400 0.061 0.000 0.861 67 E CB -0.037 29.691 29.700 0.046 0.000 0.817 67 E HN 0.785 nan 8.360 nan 0.000 0.485 68 E N 0.490 120.718 120.200 0.046 0.000 2.274 68 E HA -0.113 4.236 4.350 -0.002 0.000 0.194 68 E C 1.964 178.606 176.600 0.069 0.000 0.996 68 E CA 0.645 57.068 56.400 0.037 0.000 0.840 68 E CB -0.001 29.712 29.700 0.022 0.000 0.772 68 E HN 0.214 nan 8.360 nan 0.000 0.491 69 A N 2.200 125.087 122.820 0.111 0.000 1.858 69 A HA -0.141 4.177 4.320 -0.002 0.000 0.216 69 A C 2.270 180.027 177.584 0.289 0.000 1.190 69 A CA 0.972 53.140 52.037 0.218 0.000 0.617 69 A CB -0.749 18.373 19.000 0.203 0.000 0.827 69 A HN 0.162 nan 8.150 nan 0.000 0.443 70 L N -0.321 121.040 121.223 0.230 0.000 2.127 70 L HA -0.211 4.127 4.340 -0.002 0.000 0.211 70 L C 2.698 179.557 176.870 -0.018 0.000 1.089 70 L CA 1.321 56.197 54.840 0.060 0.000 0.757 70 L CB -0.532 41.517 42.059 -0.017 0.000 0.899 70 L HN 0.488 nan 8.230 nan 0.000 0.434 71 E N -0.254 119.954 120.200 0.013 0.000 2.031 71 E HA -0.184 4.164 4.350 -0.002 0.000 0.193 71 E C 2.271 178.865 176.600 -0.010 0.000 0.994 71 E CA 1.363 57.757 56.400 -0.010 0.000 0.800 71 E CB -0.422 29.268 29.700 -0.017 0.000 0.752 71 E HN 0.331 nan 8.360 nan 0.000 0.447 72 V N 1.848 121.768 119.914 0.010 0.000 2.490 72 V HA -0.228 3.890 4.120 -0.002 0.000 0.250 72 V C 2.455 178.550 176.094 0.001 0.000 1.061 72 V CA 1.340 63.648 62.300 0.014 0.000 1.064 72 V CB -0.556 31.296 31.823 0.048 0.000 0.670 72 V HN 0.127 nan 8.190 nan 0.000 0.461 73 L N 0.472 121.676 121.223 -0.033 0.000 2.005 73 L HA -0.078 4.261 4.340 -0.002 0.000 0.207 73 L C 2.620 179.374 176.870 -0.194 0.000 1.072 73 L CA 1.854 56.595 54.840 -0.165 0.000 0.744 73 L CB -0.616 41.179 42.059 -0.441 0.000 0.895 73 L HN 0.155 nan 8.230 nan 0.000 0.433 74 R N -1.492 118.917 120.500 -0.151 0.000 2.189 74 R HA -0.170 4.169 4.340 -0.002 0.000 0.223 74 R C 2.150 178.293 176.300 -0.262 0.000 1.092 74 R CA 1.220 57.248 56.100 -0.120 0.000 0.989 74 R CB -0.757 29.575 30.300 0.053 0.000 0.876 74 R HN 0.552 nan 8.270 nan 0.000 0.457 75 H N 0.585 119.495 119.070 -0.266 0.000 2.403 75 H HA 0.107 4.661 4.556 -0.002 0.000 0.298 75 H C 1.643 176.753 175.328 -0.363 0.000 1.059 75 H CA 1.517 57.364 56.048 -0.335 0.000 1.363 75 H CB 0.195 29.773 29.762 -0.308 0.000 1.410 75 H HN -0.064 nan 8.280 nan 0.000 0.528 76 S N -1.005 114.495 115.700 -0.333 0.000 2.489 76 S HA -0.060 4.409 4.470 -0.002 0.000 0.228 76 S C 1.708 176.111 174.600 -0.328 0.000 0.995 76 S CA 1.157 59.219 58.200 -0.228 0.000 0.934 76 S CB 0.059 63.238 63.200 -0.035 0.000 0.771 76 S HN 0.558 nan 8.310 nan 0.000 0.522 77 T N 1.791 116.025 114.554 -0.534 0.000 3.009 77 T HA 0.207 4.556 4.350 -0.002 0.000 0.258 77 T C 2.197 176.319 174.700 -0.964 0.000 1.063 77 T CA 0.751 62.428 62.100 -0.705 0.000 1.139 77 T CB -0.244 68.199 68.868 -0.709 0.000 0.890 77 T HN 0.397 nan 8.240 nan 0.000 0.471 78 A N 1.968 124.073 122.820 -1.192 0.000 1.865 78 A HA -0.217 4.102 4.320 -0.002 0.000 0.217 78 A C 2.129 179.444 177.584 -0.449 0.000 1.191 78 A CA 1.532 53.065 52.037 -0.841 0.000 0.623 78 A CB -0.940 17.707 19.000 -0.587 0.000 0.826 78 A HN 0.466 nan 8.150 nan 0.000 0.444 79 H N -0.933 117.899 119.070 -0.395 0.000 2.352 79 H HA -0.135 4.420 4.556 -0.002 0.000 0.299 79 H C 2.106 177.238 175.328 -0.326 0.000 1.097 79 H CA 1.883 57.774 56.048 -0.262 0.000 1.311 79 H CB -0.616 28.933 29.762 -0.355 0.000 1.377 79 H HN 0.437 nan 8.280 nan 0.000 0.504 80 L N 0.431 121.532 121.223 -0.204 0.000 2.042 80 L HA -0.148 4.191 4.340 -0.002 0.000 0.210 80 L C 2.496 179.161 176.870 -0.340 0.000 1.076 80 L CA 1.594 56.283 54.840 -0.253 0.000 0.749 80 L CB -0.637 41.226 42.059 -0.328 0.000 0.893 80 L HN 0.169 nan 8.230 nan 0.000 0.432 81 M N -1.136 118.248 119.600 -0.361 0.000 2.132 81 M HA -0.165 4.314 4.480 -0.002 0.000 0.263 81 M C 2.200 178.358 176.300 -0.237 0.000 1.065 81 M CA 1.850 56.989 55.300 -0.267 0.000 1.122 81 M CB -0.225 32.296 32.600 -0.131 0.000 1.365 81 M HN 0.440 nan 8.290 nan 0.000 0.411 82 A N -0.509 122.114 122.820 -0.328 0.000 1.865 82 A HA -0.295 4.024 4.320 -0.002 0.000 0.217 82 A C 1.881 179.237 177.584 -0.380 0.000 1.191 82 A CA 2.249 54.119 52.037 -0.279 0.000 0.623 82 A CB -1.554 16.967 19.000 -0.799 0.000 0.826 82 A HN 0.784 nan 8.150 nan 0.000 0.444 83 H N -0.589 117.854 119.070 -1.044 0.000 2.325 83 H HA -0.192 4.362 4.556 -0.003 0.000 0.293 83 H C 2.236 177.334 175.328 -0.384 0.000 1.106 83 H CA 1.600 57.016 56.048 -1.054 0.000 1.247 83 H CB -0.065 29.234 29.762 -0.772 0.000 1.359 83 H HN 0.477 nan 8.280 nan 0.000 0.488 84 A N 0.873 123.598 122.820 -0.159 0.000 1.930 84 A HA -0.116 4.203 4.320 -0.002 0.000 0.217 84 A C 2.274 179.848 177.584 -0.016 0.000 1.175 84 A CA 1.297 53.271 52.037 -0.105 0.000 0.627 84 A CB -0.308 18.601 19.000 -0.152 0.000 0.815 84 A HN 0.455 nan 8.150 nan 0.000 0.443 85 I N -0.007 120.529 120.570 -0.057 0.000 2.493 85 I HA -0.165 4.004 4.170 -0.002 0.000 0.254 85 I C 2.220 178.432 176.117 0.158 0.000 1.160 85 I CA 1.641 62.906 61.300 -0.058 0.000 1.445 85 I CB -0.991 36.752 38.000 -0.427 0.000 1.086 85 I HN 0.444 nan 8.210 nan 0.000 0.433 86 K N 0.842 121.389 120.400 0.246 0.000 2.103 86 K HA -0.071 4.248 4.320 -0.002 0.000 0.204 86 K C 2.188 178.920 176.600 0.220 0.000 1.052 86 K CA 0.812 57.311 56.287 0.353 0.000 0.945 86 K CB 0.128 32.844 32.500 0.361 0.000 0.722 86 K HN 0.169 nan 8.250 nan 0.000 0.443 87 R N -0.026 120.572 120.500 0.163 0.000 2.153 87 R HA 0.024 4.363 4.340 -0.002 0.000 0.218 87 R C 1.972 178.302 176.300 0.051 0.000 1.072 87 R CA 0.754 56.917 56.100 0.106 0.000 0.990 87 R CB 0.060 30.408 30.300 0.080 0.000 0.889 87 R HN 0.222 nan 8.270 nan 0.000 0.452 88 L N -1.258 120.003 121.223 0.062 0.000 2.408 88 L HA 0.112 4.451 4.340 -0.002 0.000 0.215 88 L C -0.071 176.624 176.870 -0.291 0.000 1.081 88 L CA 0.277 55.073 54.840 -0.073 0.000 0.840 88 L CB 0.294 42.351 42.059 -0.005 0.000 1.002 88 L HN 0.001 nan 8.230 nan 0.000 0.468 89 Y N 0.447 120.733 120.300 -0.022 0.000 2.345 89 Y HA 0.517 5.066 4.550 -0.002 0.000 0.331 89 Y C 0.845 176.748 175.900 0.005 0.000 0.959 89 Y CA -1.242 56.840 58.100 -0.030 0.000 1.204 89 Y CB 1.050 39.457 38.460 -0.088 0.000 1.135 89 Y HN -0.116 nan 8.280 nan 0.000 0.477 90 G N 1.963 110.802 108.800 0.064 0.000 2.491 90 G HA2 0.171 4.130 3.960 -0.002 0.000 0.242 90 G HA3 0.171 4.130 3.960 -0.002 0.000 0.242 90 G C -0.020 174.936 174.900 0.093 0.000 1.266 90 G CA -0.297 44.847 45.100 0.074 0.000 0.844 90 G HN 0.880 nan 8.290 nan 0.000 0.571 91 N N -0.847 117.914 118.700 0.100 0.000 2.699 91 N HA -0.186 4.553 4.740 -0.002 0.000 0.257 91 N C -0.606 174.950 175.510 0.078 0.000 1.077 91 N CA 0.669 53.775 53.050 0.094 0.000 0.702 91 N CB -0.733 37.795 38.487 0.069 0.000 0.886 91 N HN 0.410 nan 8.380 nan 0.000 0.549 92 V N 1.627 121.598 119.914 0.096 0.000 2.409 92 V HA 0.372 4.491 4.120 -0.002 0.000 0.291 92 V C 0.700 176.751 176.094 -0.072 0.000 1.020 92 V CA -0.667 61.596 62.300 -0.062 0.000 0.848 92 V CB 1.822 33.529 31.823 -0.194 0.000 0.990 92 V HN 0.196 nan 8.190 nan 0.000 0.430 93 K N 3.443 123.753 120.400 -0.150 0.000 2.098 93 K HA 0.677 4.995 4.320 -0.002 0.000 0.244 93 K C -1.291 175.110 176.600 -0.333 0.000 1.014 93 K CA -0.283 55.988 56.287 -0.027 0.000 0.917 93 K CB 0.946 33.463 32.500 0.027 0.000 1.072 93 K HN 0.452 nan 8.250 nan 0.000 0.477 94 F N 0.125 120.004 119.950 -0.118 0.000 2.539 94 F HA 0.303 4.829 4.527 -0.002 0.000 0.328 94 F C 0.791 176.406 175.800 -0.308 0.000 1.148 94 F CA -0.698 57.228 58.000 -0.122 0.000 0.940 94 F CB 1.630 40.698 39.000 0.114 0.000 1.194 94 F HN 0.672 nan 8.300 nan 0.000 0.438 95 G N 1.529 110.100 108.800 -0.382 0.000 2.803 95 G HA2 0.462 4.421 3.960 -0.002 0.000 0.177 95 G HA3 0.462 4.421 3.960 -0.002 0.000 0.177 95 G C -0.552 174.136 174.900 -0.352 0.000 1.629 95 G CA -0.018 44.822 45.100 -0.435 0.000 1.077 95 G HN 0.651 nan 8.290 nan 0.000 0.556 96 V N -2.517 117.164 119.914 -0.387 0.000 2.444 96 V HA 0.781 4.899 4.120 -0.002 0.000 0.294 96 V C 0.143 175.690 176.094 -0.913 0.000 1.022 96 V CA -0.342 61.628 62.300 -0.549 0.000 0.850 96 V CB 1.126 32.827 31.823 -0.205 0.000 0.992 96 V HN 0.943 nan 8.190 nan 0.000 0.426 97 G N 5.812 113.776 108.800 -1.393 0.000 2.741 97 G HA2 0.655 4.614 3.960 -0.002 0.000 0.336 97 G HA3 0.655 4.614 3.960 -0.002 0.000 0.336 97 G C -2.271 172.228 174.900 -0.668 0.000 1.022 97 G CA -1.242 43.206 45.100 -1.087 0.000 1.193 97 G HN 0.676 nan 8.290 nan 0.000 0.455 98 P HA 0.383 nan 4.420 nan 0.000 0.282 98 P C 0.028 177.178 177.300 -0.251 0.000 1.259 98 P CA -0.500 62.358 63.100 -0.403 0.000 0.826 98 P CB 2.274 33.762 31.700 -0.354 0.000 1.064 99 V N 3.116 122.982 119.914 -0.080 0.000 2.686 99 V HA 0.268 4.387 4.120 -0.002 0.000 0.295 99 V C 0.979 177.095 176.094 0.036 0.000 1.055 99 V CA 0.157 62.466 62.300 0.014 0.000 1.050 99 V CB 0.299 32.128 31.823 0.010 0.000 0.984 99 V HN 0.536 nan 8.190 nan 0.000 0.482 100 I N -0.405 120.218 120.570 0.089 0.000 3.467 100 I HA 0.617 4.786 4.170 -0.002 0.000 0.314 100 I C -0.212 175.953 176.117 0.079 0.000 1.177 100 I CA -1.125 60.240 61.300 0.108 0.000 0.943 100 I CB 1.927 40.050 38.000 0.205 0.000 1.338 100 I HN 0.379 nan 8.210 nan 0.000 0.482 101 E N 1.344 121.593 120.200 0.082 0.000 2.465 101 E HA 0.113 4.461 4.350 -0.002 0.000 0.260 101 E C 0.695 177.344 176.600 0.082 0.000 0.980 101 E CA 1.323 57.767 56.400 0.073 0.000 0.927 101 E CB 0.569 30.313 29.700 0.073 0.000 0.934 101 E HN 0.981 nan 8.360 nan 0.000 0.459 102 G N 2.906 111.749 108.800 0.073 0.000 2.416 102 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.301 102 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.301 102 G C 0.526 175.391 174.900 -0.058 0.000 0.985 102 G CA 0.929 46.072 45.100 0.072 0.000 0.934 102 G HN 0.953 nan 8.290 nan 0.000 0.513 103 G N -1.440 107.310 108.800 -0.083 0.000 2.398 103 G HA2 0.719 4.678 3.960 -0.002 0.000 0.251 103 G HA3 0.719 4.678 3.960 -0.002 0.000 0.251 103 G C -0.568 174.334 174.900 0.004 0.000 1.277 103 G CA -0.075 44.943 45.100 -0.136 0.000 0.927 103 G HN 1.794 nan 8.290 nan 0.000 0.477 104 F N -1.796 118.199 119.950 0.075 0.000 2.858 104 F HA 0.834 5.360 4.527 -0.002 0.000 0.319 104 F C -1.175 174.704 175.800 0.132 0.000 1.166 104 F CA -1.422 56.600 58.000 0.036 0.000 0.899 104 F CB 1.053 40.001 39.000 -0.088 0.000 1.332 104 F HN 1.402 nan 8.300 nan 0.000 0.461 105 Y N -0.463 119.930 120.300 0.156 0.000 2.638 105 Y HA 0.818 5.367 4.550 -0.002 0.000 0.335 105 Y C -2.510 173.424 175.900 0.056 0.000 1.155 105 Y CA -2.133 55.938 58.100 -0.049 0.000 1.046 105 Y CB 1.562 39.699 38.460 -0.538 0.000 1.303 105 Y HN 0.945 nan 8.280 nan 0.000 0.460 106 Y N 1.473 121.805 120.300 0.054 0.000 2.401 106 Y HA 0.418 4.967 4.550 -0.002 0.000 0.330 106 Y C -1.471 174.217 175.900 -0.353 0.000 1.071 106 Y CA -1.209 56.747 58.100 -0.240 0.000 1.049 106 Y CB 1.551 39.862 38.460 -0.248 0.000 1.239 106 Y HN 0.790 nan 8.280 nan 0.000 0.437 107 D N 4.991 125.175 120.400 -0.360 0.000 2.302 107 D HA 0.369 5.008 4.640 -0.002 0.000 0.248 107 D C -0.887 175.041 176.300 -0.621 0.000 1.094 107 D CA 0.724 54.552 54.000 -0.287 0.000 0.897 107 D CB 0.812 41.511 40.800 -0.169 0.000 1.200 107 D HN 0.285 nan 8.370 nan 0.000 0.429 108 F N 0.029 119.878 119.950 -0.168 0.000 2.640 108 F HA 0.307 4.833 4.527 -0.003 0.000 0.324 108 F C 0.155 175.732 175.800 -0.371 0.000 1.077 108 F CA -1.002 56.806 58.000 -0.320 0.000 0.965 108 F CB 1.631 40.440 39.000 -0.317 0.000 1.351 108 F HN -0.010 nan 8.300 nan 0.000 0.487 109 D N 1.900 122.180 120.400 -0.200 0.000 2.542 109 D HA 0.558 5.197 4.640 -0.002 0.000 0.252 109 D C -1.299 174.934 176.300 -0.111 0.000 1.222 109 D CA 0.052 53.939 54.000 -0.188 0.000 0.895 109 D CB 1.091 41.727 40.800 -0.273 0.000 1.207 109 D HN 0.449 nan 8.370 nan 0.000 0.558 110 I N 2.010 122.541 120.570 -0.066 0.000 2.656 110 I HA 0.132 4.301 4.170 -0.002 0.000 0.292 110 I C 0.568 176.693 176.117 0.013 0.000 1.144 110 I CA -0.746 60.535 61.300 -0.032 0.000 1.038 110 I CB 2.381 40.332 38.000 -0.082 0.000 1.244 110 I HN 0.093 nan 8.210 nan 0.000 0.420 111 D N 2.786 123.212 120.400 0.043 0.000 2.371 111 D HA -0.029 4.610 4.640 -0.002 0.000 0.234 111 D C 0.155 176.492 176.300 0.061 0.000 1.049 111 D CA 0.997 55.026 54.000 0.047 0.000 0.907 111 D CB 0.232 41.061 40.800 0.047 0.000 0.891 111 D HN 0.427 nan 8.370 nan 0.000 0.531 112 Q N -0.272 119.578 119.800 0.082 0.000 2.496 112 Q HA 0.332 4.671 4.340 -0.002 0.000 0.286 112 Q C -0.743 175.293 176.000 0.061 0.000 1.103 112 Q CA -0.980 54.889 55.803 0.111 0.000 0.813 112 Q CB 1.401 30.297 28.738 0.263 0.000 1.444 112 Q HN 0.035 nan 8.270 nan 0.000 0.443 113 N N 1.739 120.479 118.700 0.067 0.000 2.426 113 N HA 0.340 5.079 4.740 -0.002 0.000 0.275 113 N C -0.903 174.616 175.510 0.014 0.000 1.019 113 N CA -0.059 53.007 53.050 0.025 0.000 0.941 113 N CB 1.083 39.586 38.487 0.026 0.000 1.123 113 N HN 0.465 nan 8.380 nan 0.000 0.486 114 I N 1.426 121.966 120.570 -0.051 0.000 2.355 114 I HA 0.111 4.280 4.170 -0.002 0.000 0.288 114 I C 0.934 177.029 176.117 -0.037 0.000 0.999 114 I CA -0.444 60.808 61.300 -0.080 0.000 1.163 114 I CB 1.540 39.404 38.000 -0.226 0.000 1.316 114 I HN 0.680 nan 8.210 nan 0.000 0.454 115 S N 3.397 119.071 115.700 -0.043 0.000 4.213 115 S HA 0.380 4.849 4.470 -0.002 0.000 0.198 115 S C 0.778 175.181 174.600 -0.328 0.000 0.970 115 S CA -0.142 57.985 58.200 -0.122 0.000 1.707 115 S CB 0.816 63.948 63.200 -0.113 0.000 0.685 115 S HN 0.500 nan 8.310 nan 0.000 0.736 116 S N 0.711 116.100 115.700 -0.517 0.000 2.744 116 S HA 0.262 4.731 4.470 -0.002 0.000 0.265 116 S C -0.154 174.116 174.600 -0.550 0.000 1.065 116 S CA -0.134 57.335 58.200 -1.218 0.000 1.191 116 S CB 0.114 62.688 63.200 -1.043 0.000 1.150 116 S HN 0.615 nan 8.310 nan 0.000 0.646 117 D N 2.102 122.363 120.400 -0.232 0.000 2.355 117 D HA 0.036 4.675 4.640 -0.002 0.000 0.218 117 D C 0.764 177.078 176.300 0.023 0.000 1.004 117 D CA 0.559 54.513 54.000 -0.077 0.000 0.880 117 D CB 0.015 40.784 40.800 -0.052 0.000 0.911 117 D HN 0.283 nan 8.370 nan 0.000 0.528 118 D N -0.358 120.082 120.400 0.066 0.000 2.339 118 D HA 0.006 4.644 4.640 -0.002 0.000 0.217 118 D C 1.111 177.613 176.300 0.337 0.000 1.050 118 D CA 0.035 54.148 54.000 0.190 0.000 0.856 118 D CB 0.160 41.087 40.800 0.212 0.000 0.922 118 D HN 0.139 nan 8.370 nan 0.000 0.518 119 F N 2.383 122.353 119.950 0.033 0.000 2.098 119 F HA -0.109 4.417 4.527 -0.002 0.000 0.294 119 F C 2.508 178.340 175.800 0.052 0.000 1.107 119 F CA 0.573 58.598 58.000 0.043 0.000 1.234 119 F CB -0.872 38.154 39.000 0.043 0.000 1.002 119 F HN -0.013 nan 8.300 nan 0.000 0.472 120 E N 0.504 120.850 120.200 0.244 0.000 2.147 120 E HA -0.272 4.076 4.350 -0.002 0.000 0.199 120 E C 1.857 178.526 176.600 0.115 0.000 1.005 120 E CA 1.613 58.098 56.400 0.141 0.000 0.810 120 E CB -0.353 29.404 29.700 0.094 0.000 0.736 120 E HN 0.344 nan 8.360 nan 0.000 0.460 121 Q N 0.545 120.418 119.800 0.121 0.000 1.994 121 Q HA 0.056 4.394 4.340 -0.002 0.000 0.198 121 Q C 2.621 178.674 176.000 0.088 0.000 0.976 121 Q CA 1.300 57.158 55.803 0.092 0.000 0.828 121 Q CB -0.461 28.332 28.738 0.093 0.000 0.894 121 Q HN 0.455 nan 8.270 nan 0.000 0.432 122 I N 0.723 121.356 120.570 0.105 0.000 2.502 122 I HA -0.263 3.906 4.170 -0.002 0.000 0.258 122 I C 1.961 178.096 176.117 0.029 0.000 1.172 122 I CA 1.147 62.473 61.300 0.044 0.000 1.430 122 I CB -0.159 37.834 38.000 -0.012 0.000 1.086 122 I HN 0.282 nan 8.210 nan 0.000 0.440 123 E N 0.517 120.770 120.200 0.088 0.000 2.166 123 E HA -0.123 4.226 4.350 -0.002 0.000 0.192 123 E C 2.167 178.862 176.600 0.158 0.000 0.967 123 E CA 0.174 56.680 56.400 0.178 0.000 0.840 123 E CB 0.246 30.054 29.700 0.180 0.000 0.795 123 E HN 0.273 nan 8.360 nan 0.000 0.470 124 K N 0.318 120.775 120.400 0.095 0.000 2.002 124 K HA -0.128 4.190 4.320 -0.002 0.000 0.209 124 K C 1.959 178.587 176.600 0.046 0.000 1.048 124 K CA 1.810 58.137 56.287 0.066 0.000 0.930 124 K CB -0.072 32.456 32.500 0.047 0.000 0.714 124 K HN 0.026 nan 8.250 nan 0.000 0.438 125 T N 2.620 117.189 114.554 0.025 0.000 2.720 125 T HA -0.189 4.159 4.350 -0.002 0.000 0.268 125 T C 1.797 176.466 174.700 -0.051 0.000 1.037 125 T CA 1.992 64.084 62.100 -0.014 0.000 1.144 125 T CB -0.217 68.640 68.868 -0.019 0.000 0.864 125 T HN 0.453 nan 8.240 nan 0.000 0.444 126 M N 0.539 120.107 119.600 -0.053 0.000 2.296 126 M HA 0.066 4.544 4.480 -0.002 0.000 0.265 126 M C 1.902 178.174 176.300 -0.045 0.000 1.064 126 M CA 1.583 56.800 55.300 -0.140 0.000 1.109 126 M CB -0.668 31.763 32.600 -0.282 0.000 1.396 126 M HN 0.071 nan 8.290 nan 0.000 0.430 127 K N 0.886 121.344 120.400 0.097 0.000 2.057 127 K HA -0.112 4.206 4.320 -0.002 0.000 0.206 127 K C 2.154 178.772 176.600 0.031 0.000 1.050 127 K CA 1.563 57.928 56.287 0.131 0.000 0.935 127 K CB -0.195 32.386 32.500 0.135 0.000 0.715 127 K HN 0.412 nan 8.250 nan 0.000 0.439 128 Q N 0.811 120.611 119.800 0.000 0.000 2.045 128 Q HA -0.194 4.144 4.340 -0.002 0.000 0.206 128 Q C 2.061 178.027 176.000 -0.057 0.000 0.991 128 Q CA 1.982 57.770 55.803 -0.024 0.000 0.851 128 Q CB -0.222 28.497 28.738 -0.031 0.000 0.911 128 Q HN 0.452 nan 8.270 nan 0.000 0.418 129 I N -2.213 118.285 120.570 -0.120 0.000 3.334 129 I HA -0.056 4.113 4.170 -0.002 0.000 0.282 129 I C 1.137 177.183 176.117 -0.118 0.000 1.313 129 I CA 0.565 61.759 61.300 -0.176 0.000 1.396 129 I CB 0.316 38.060 38.000 -0.425 0.000 1.054 129 I HN -0.064 nan 8.210 nan 0.000 0.495 130 V N 0.964 120.838 119.914 -0.066 0.000 2.825 130 V HA -0.021 4.097 4.120 -0.002 0.000 0.246 130 V C 2.182 178.276 176.094 0.001 0.000 1.068 130 V CA 1.066 63.352 62.300 -0.022 0.000 1.088 130 V CB -0.887 30.948 31.823 0.021 0.000 0.733 130 V HN 0.422 nan 8.190 nan 0.000 0.468 131 N N 0.899 119.599 118.700 0.000 0.000 2.084 131 N HA -0.176 4.563 4.740 -0.002 0.000 0.190 131 N C 1.782 177.293 175.510 0.001 0.000 1.030 131 N CA 1.475 54.529 53.050 0.006 0.000 0.849 131 N CB -0.279 38.211 38.487 0.005 0.000 1.012 131 N HN 0.538 nan 8.380 nan 0.000 0.423 132 E N 0.693 120.887 120.200 -0.009 0.000 2.284 132 E HA -0.170 4.179 4.350 -0.002 0.000 0.200 132 E C -0.023 176.576 176.600 -0.000 0.000 1.008 132 E CA 0.252 56.648 56.400 -0.007 0.000 0.829 132 E CB -0.356 29.335 29.700 -0.015 0.000 0.744 132 E HN 0.402 nan 8.360 nan 0.000 0.491 133 N N 0.522 119.223 118.700 0.002 0.000 2.686 133 N HA -0.219 4.520 4.740 -0.002 0.000 0.261 133 N C -0.808 174.708 175.510 0.010 0.000 1.001 133 N CA -0.298 52.759 53.050 0.010 0.000 0.764 133 N CB -0.561 37.935 38.487 0.014 0.000 0.898 133 N HN 0.127 nan 8.380 nan 0.000 0.544 134 M N 0.856 120.462 119.600 0.011 0.000 2.228 134 M HA 0.126 4.604 4.480 -0.002 0.000 0.326 134 M C 0.691 176.991 176.300 0.001 0.000 1.122 134 M CA 0.155 55.459 55.300 0.006 0.000 1.161 134 M CB 0.874 33.485 32.600 0.018 0.000 1.437 134 M HN 0.125 nan 8.290 nan 0.000 0.465 135 K N 1.612 122.002 120.400 -0.016 0.000 2.154 135 K HA 0.475 4.793 4.320 -0.002 0.000 0.264 135 K C -1.232 175.336 176.600 -0.054 0.000 1.008 135 K CA -0.287 55.987 56.287 -0.022 0.000 0.937 135 K CB 0.673 33.157 32.500 -0.027 0.000 1.002 135 K HN 0.575 nan 8.250 nan 0.000 0.469 136 I N 3.082 123.627 120.570 -0.042 0.000 2.377 136 I HA 0.203 4.372 4.170 -0.002 0.000 0.293 136 I C -0.554 175.502 176.117 -0.100 0.000 0.987 136 I CA -0.613 60.628 61.300 -0.098 0.000 1.185 136 I CB 1.850 39.858 38.000 0.013 0.000 1.341 136 I HN 0.669 nan 8.210 nan 0.000 0.455 137 E N 4.924 125.019 120.200 -0.175 0.000 2.256 137 E HA 0.488 4.836 4.350 -0.002 0.000 0.267 137 E C -0.756 175.775 176.600 -0.115 0.000 0.892 137 E CA -0.992 55.334 56.400 -0.123 0.000 0.775 137 E CB 2.310 31.933 29.700 -0.128 0.000 1.207 137 E HN 0.352 nan 8.360 nan 0.000 0.420 138 R N 2.627 123.093 120.500 -0.056 0.000 2.287 138 R HA 0.262 4.600 4.340 -0.002 0.000 0.316 138 R C -0.762 175.517 176.300 -0.035 0.000 1.050 138 R CA -0.338 55.746 56.100 -0.026 0.000 0.983 138 R CB 0.275 30.585 30.300 0.017 0.000 1.140 138 R HN 0.434 nan 8.270 nan 0.000 0.528 139 K N 1.748 122.117 120.400 -0.051 0.000 2.177 139 K HA 0.572 4.890 4.320 -0.002 0.000 0.238 139 K C -0.685 175.898 176.600 -0.028 0.000 1.015 139 K CA -0.933 55.324 56.287 -0.050 0.000 0.922 139 K CB 1.902 34.355 32.500 -0.078 0.000 1.127 139 K HN 0.146 nan 8.250 nan 0.000 0.469 140 V N 0.512 120.409 119.914 -0.027 0.000 2.971 140 V HA 0.248 4.367 4.120 -0.002 0.000 0.309 140 V C -0.086 175.996 176.094 -0.019 0.000 1.130 140 V CA -0.769 61.523 62.300 -0.013 0.000 0.964 140 V CB 1.854 33.673 31.823 -0.007 0.000 1.029 140 V HN 0.754 nan 8.190 nan 0.000 0.427 141 V N -0.760 119.149 119.914 -0.009 0.000 3.544 141 V HA 0.308 4.426 4.120 -0.002 0.000 0.298 141 V C 0.832 176.926 176.094 0.000 0.000 1.580 141 V CA 0.417 62.710 62.300 -0.013 0.000 1.122 141 V CB 0.172 31.982 31.823 -0.022 0.000 0.951 141 V HN 1.106 nan 8.190 nan 0.000 0.448 142 S N 2.323 118.027 115.700 0.007 0.000 3.262 142 S HA -0.314 4.154 4.470 -0.002 0.000 0.384 142 S C 0.722 175.331 174.600 0.015 0.000 0.928 142 S CA 1.754 59.960 58.200 0.011 0.000 1.224 142 S CB -1.280 61.924 63.200 0.006 0.000 0.875 142 S HN 1.311 nan 8.310 nan 0.000 0.462 143 R N -0.436 120.078 120.500 0.023 0.000 2.950 143 R HA -0.126 4.212 4.340 -0.002 0.000 0.270 143 R C -0.246 176.067 176.300 0.022 0.000 1.034 143 R CA 0.967 57.083 56.100 0.027 0.000 0.668 143 R CB -1.500 28.814 30.300 0.023 0.000 1.350 143 R HN 0.701 nan 8.270 nan 0.000 0.384 144 D N -0.892 119.521 120.400 0.021 0.000 1.089 144 D HA -0.092 4.547 4.640 -0.002 0.000 0.802 144 D C 0.575 176.875 176.300 -0.001 0.000 0.714 144 D CA 0.515 54.522 54.000 0.012 0.000 0.979 144 D CB -0.721 40.082 40.800 0.004 0.000 2.669 144 D HN 0.406 nan 8.370 nan 0.000 0.289 145 E N 1.367 121.558 120.200 -0.014 0.000 2.160 145 E HA -0.119 4.229 4.350 -0.002 0.000 0.195 145 E C 1.980 178.548 176.600 -0.054 0.000 0.991 145 E CA 1.268 57.645 56.400 -0.039 0.000 0.810 145 E CB 0.069 29.740 29.700 -0.048 0.000 0.742 145 E HN 0.329 nan 8.360 nan 0.000 0.466 146 A N 2.098 124.906 122.820 -0.020 0.000 1.841 146 A HA -0.208 4.111 4.320 -0.002 0.000 0.214 146 A C 2.109 179.732 177.584 0.064 0.000 1.195 146 A CA 1.289 53.334 52.037 0.013 0.000 0.611 146 A CB -0.376 18.683 19.000 0.099 0.000 0.835 146 A HN -0.031 nan 8.150 nan 0.000 0.443 147 K N 0.071 120.520 120.400 0.081 0.000 2.052 147 K HA -0.261 4.058 4.320 -0.002 0.000 0.215 147 K C 1.832 178.470 176.600 0.064 0.000 1.053 147 K CA 2.458 58.801 56.287 0.092 0.000 0.934 147 K CB -0.487 32.046 32.500 0.056 0.000 0.717 147 K HN 0.517 nan 8.250 nan 0.000 0.450 148 E N 0.386 120.592 120.200 0.010 0.000 2.023 148 E HA -0.167 4.182 4.350 -0.002 0.000 0.196 148 E C 1.894 178.454 176.600 -0.066 0.000 1.003 148 E CA 1.194 57.582 56.400 -0.020 0.000 0.809 148 E CB -0.457 29.221 29.700 -0.038 0.000 0.755 148 E HN 0.200 nan 8.360 nan 0.000 0.449 149 L N -0.195 120.934 121.223 -0.157 0.000 2.230 149 L HA -0.182 4.157 4.340 -0.002 0.000 0.217 149 L C 0.266 176.812 176.870 -0.540 0.000 1.090 149 L CA 1.697 56.307 54.840 -0.383 0.000 0.771 149 L CB -0.265 41.471 42.059 -0.539 0.000 0.892 149 L HN 0.095 nan 8.230 nan 0.000 0.438 150 F N -0.982 118.963 119.950 -0.007 0.000 2.389 150 F HA 0.246 4.772 4.527 -0.002 0.000 0.327 150 F C 1.608 177.421 175.800 0.022 0.000 1.204 150 F CA -0.383 57.623 58.000 0.010 0.000 1.209 150 F CB 0.173 39.186 39.000 0.022 0.000 1.460 150 F HN -0.116 nan 8.300 nan 0.000 0.537 151 S N 0.587 116.365 115.700 0.130 0.000 2.436 151 S HA -0.253 4.215 4.470 -0.002 0.000 0.215 151 S C 1.796 176.469 174.600 0.121 0.000 1.047 151 S CA 1.493 59.750 58.200 0.094 0.000 1.086 151 S CB -0.495 62.736 63.200 0.052 0.000 1.072 151 S HN 0.640 nan 8.310 nan 0.000 0.411 152 N N 1.837 120.611 118.700 0.124 0.000 2.247 152 N HA -0.148 4.591 4.740 -0.002 0.000 0.189 152 N C -0.141 175.458 175.510 0.149 0.000 1.009 152 N CA 0.955 54.081 53.050 0.126 0.000 0.872 152 N CB -0.293 38.275 38.487 0.135 0.000 0.980 152 N HN 0.415 nan 8.380 nan 0.000 0.436 153 D N 0.447 120.968 120.400 0.201 0.000 2.422 153 D HA 0.014 4.652 4.640 -0.002 0.000 0.227 153 D C 1.026 177.385 176.300 0.098 0.000 1.190 153 D CA -0.204 53.903 54.000 0.179 0.000 0.905 153 D CB 0.554 41.445 40.800 0.153 0.000 1.034 153 D HN 0.249 nan 8.370 nan 0.000 0.507 154 E N 1.945 122.152 120.200 0.012 0.000 2.077 154 E HA -0.285 4.064 4.350 -0.002 0.000 0.193 154 E C 0.908 177.407 176.600 -0.168 0.000 0.989 154 E CA 1.089 57.407 56.400 -0.137 0.000 0.800 154 E CB -0.319 29.188 29.700 -0.322 0.000 0.746 154 E HN 0.574 nan 8.360 nan 0.000 0.452 155 Y N 1.768 121.978 120.300 -0.150 0.000 2.145 155 Y HA -0.072 4.477 4.550 -0.002 0.000 0.286 155 Y C 2.417 178.299 175.900 -0.030 0.000 1.145 155 Y CA 1.244 59.212 58.100 -0.219 0.000 1.148 155 Y CB -0.301 37.697 38.460 -0.770 0.000 0.981 155 Y HN -0.105 nan 8.280 nan 0.000 0.507 156 K N -0.516 119.919 120.400 0.057 0.000 2.147 156 K HA -0.160 4.159 4.320 -0.002 0.000 0.205 156 K C 1.866 178.459 176.600 -0.012 0.000 1.049 156 K CA 0.988 57.214 56.287 -0.101 0.000 0.936 156 K CB -0.352 31.848 32.500 -0.500 0.000 0.722 156 K HN 0.130 nan 8.250 nan 0.000 0.446 157 L N 1.731 122.984 121.223 0.051 0.000 1.961 157 L HA -0.151 4.187 4.340 -0.002 0.000 0.209 157 L C 1.697 178.620 176.870 0.088 0.000 1.075 157 L CA 1.781 56.672 54.840 0.086 0.000 0.749 157 L CB -0.588 41.518 42.059 0.078 0.000 0.890 157 L HN 0.131 nan 8.230 nan 0.000 0.433 158 E N -0.936 119.324 120.200 0.099 0.000 2.393 158 E HA -0.258 4.090 4.350 -0.002 0.000 0.201 158 E C 1.846 178.539 176.600 0.155 0.000 1.025 158 E CA 0.849 57.327 56.400 0.130 0.000 0.856 158 E CB -0.133 29.686 29.700 0.198 0.000 0.771 158 E HN 0.301 nan 8.360 nan 0.000 0.526 159 L N -0.143 121.176 121.223 0.161 0.000 2.349 159 L HA 0.067 4.406 4.340 -0.002 0.000 0.200 159 L C 1.968 178.884 176.870 0.077 0.000 1.064 159 L CA 0.547 55.471 54.840 0.139 0.000 0.821 159 L CB -0.101 42.057 42.059 0.165 0.000 1.027 159 L HN 0.018 nan 8.230 nan 0.000 0.476 160 I N 0.337 120.948 120.570 0.068 0.000 2.335 160 I HA -0.204 3.964 4.170 -0.002 0.000 0.251 160 I C 0.405 176.558 176.117 0.061 0.000 1.129 160 I CA 0.905 62.247 61.300 0.070 0.000 1.402 160 I CB -0.523 37.542 38.000 0.109 0.000 1.069 160 I HN 0.306 nan 8.210 nan 0.000 0.424 161 D N 1.105 121.539 120.400 0.057 0.000 2.383 161 D HA 0.561 5.200 4.640 -0.002 0.000 0.252 161 D C -0.643 175.675 176.300 0.030 0.000 1.166 161 D CA 0.715 54.740 54.000 0.042 0.000 0.879 161 D CB 0.407 41.230 40.800 0.039 0.000 1.164 161 D HN 0.420 nan 8.370 nan 0.000 0.462 162 A N 3.898 126.731 122.820 0.023 0.000 2.401 162 A HA 0.374 4.693 4.320 -0.002 0.000 0.313 162 A C -0.672 176.919 177.584 0.011 0.000 1.013 162 A CA -0.608 51.437 52.037 0.013 0.000 1.034 162 A CB -0.031 18.976 19.000 0.012 0.000 1.324 162 A HN 0.479 nan 8.150 nan 0.000 0.366 163 I N 2.621 123.195 120.570 0.006 0.000 2.944 163 I HA 0.180 4.349 4.170 -0.002 0.000 0.330 163 I C -1.835 174.283 176.117 0.001 0.000 1.482 163 I CA -1.074 60.229 61.300 0.005 0.000 0.880 163 I CB 1.122 39.126 38.000 0.007 0.000 1.728 163 I HN 0.376 nan 8.210 nan 0.000 0.561 164 P HA -0.033 nan 4.420 nan 0.000 0.218 164 P C 0.370 177.667 177.300 -0.004 0.000 1.149 164 P CA 1.536 64.633 63.100 -0.005 0.000 0.817 164 P CB 0.381 32.076 31.700 -0.009 0.000 0.785 165 E N -1.954 118.244 120.200 -0.003 0.000 2.359 165 E HA 0.206 4.555 4.350 -0.002 0.000 0.223 165 E C -1.004 175.597 176.600 0.000 0.000 0.877 165 E CA -0.587 55.812 56.400 -0.002 0.000 0.887 165 E CB -0.302 29.396 29.700 -0.004 0.000 1.890 165 E HN -0.261 nan 8.360 nan 0.000 0.419 166 D N 1.331 121.731 120.400 0.000 0.000 2.994 166 D HA 0.169 4.808 4.640 -0.002 0.000 0.240 166 D C -1.008 175.294 176.300 0.003 0.000 1.195 166 D CA -0.014 53.988 54.000 0.002 0.000 0.957 166 D CB -0.133 40.668 40.800 0.002 0.000 1.105 166 D HN 0.148 nan 8.370 nan 0.000 0.477 167 E N 0.059 120.262 120.200 0.005 0.000 2.242 167 E HA 0.535 4.884 4.350 -0.002 0.000 0.275 167 E C -0.289 176.317 176.600 0.010 0.000 1.002 167 E CA -0.913 55.490 56.400 0.007 0.000 0.841 167 E CB 0.840 30.544 29.700 0.006 0.000 1.109 167 E HN -0.035 nan 8.360 nan 0.000 0.394 168 N N -0.159 118.549 118.700 0.012 0.000 2.402 168 N HA 0.583 5.321 4.740 -0.002 0.000 0.294 168 N C -1.307 174.217 175.510 0.022 0.000 1.203 168 N CA -0.937 52.123 53.050 0.016 0.000 0.838 168 N CB 1.823 40.318 38.487 0.013 0.000 1.306 168 N HN 0.438 nan 8.380 nan 0.000 0.510 169 V N -2.277 117.653 119.914 0.027 0.000 2.667 169 V HA 0.900 5.019 4.120 -0.002 0.000 0.308 169 V C -0.376 175.741 176.094 0.039 0.000 1.048 169 V CA -0.640 61.684 62.300 0.039 0.000 0.928 169 V CB 1.277 33.131 31.823 0.052 0.000 1.004 169 V HN 0.766 nan 8.190 nan 0.000 0.444 170 T N 2.545 117.129 114.554 0.050 0.000 2.893 170 T HA 0.792 5.141 4.350 -0.002 0.000 0.291 170 T C -0.708 174.027 174.700 0.058 0.000 1.028 170 T CA -0.645 61.483 62.100 0.047 0.000 0.995 170 T CB 1.728 70.629 68.868 0.054 0.000 1.051 170 T HN 0.704 nan 8.240 nan 0.000 0.470 171 L N 2.407 123.646 121.223 0.027 0.000 2.322 171 L HA 0.501 4.840 4.340 -0.002 0.000 0.281 171 L C -0.943 175.906 176.870 -0.035 0.000 1.014 171 L CA -1.240 53.602 54.840 0.004 0.000 0.815 171 L CB 1.326 43.357 42.059 -0.048 0.000 1.247 171 L HN 0.757 nan 8.230 nan 0.000 0.421 172 Y N 3.150 123.326 120.300 -0.208 0.000 2.367 172 Y HA 0.574 5.123 4.550 -0.001 0.000 0.342 172 Y C -0.402 175.278 175.900 -0.367 0.000 0.979 172 Y CA -0.170 57.717 58.100 -0.356 0.000 1.161 172 Y CB 1.359 39.474 38.460 -0.576 0.000 1.155 172 Y HN 0.519 nan 8.280 nan 0.000 0.503 173 S N 5.641 120.864 115.700 -0.796 0.000 2.526 173 S HA 0.411 4.879 4.470 -0.002 0.000 0.293 173 S C -1.452 172.702 174.600 -0.743 0.000 1.092 173 S CA -0.839 56.907 58.200 -0.757 0.000 0.980 173 S CB 1.514 64.465 63.200 -0.415 0.000 1.048 173 S HN 0.761 nan 8.310 nan 0.000 0.483 174 Q N 2.186 121.633 119.800 -0.590 0.000 2.878 174 Q HA 0.451 4.790 4.340 -0.002 0.000 0.232 174 Q C 0.756 176.665 176.000 -0.151 0.000 0.893 174 Q CA 0.074 55.691 55.803 -0.310 0.000 0.742 174 Q CB 0.382 28.998 28.738 -0.204 0.000 1.354 174 Q HN 0.970 nan 8.270 nan 0.000 0.466 175 G N 4.014 112.739 108.800 -0.125 0.000 2.805 175 G HA2 -0.499 3.459 3.960 -0.002 0.000 0.360 175 G HA3 -0.499 3.459 3.960 -0.002 0.000 0.360 175 G C 0.720 175.566 174.900 -0.089 0.000 1.164 175 G CA 1.236 46.292 45.100 -0.072 0.000 0.954 175 G HN 0.730 nan 8.290 nan 0.000 0.597 176 D N -0.064 120.324 120.400 -0.020 0.000 2.218 176 D HA 0.082 4.721 4.640 -0.002 0.000 0.204 176 D C 0.838 177.050 176.300 -0.146 0.000 0.976 176 D CA 1.222 55.207 54.000 -0.024 0.000 0.853 176 D CB -0.035 40.870 40.800 0.174 0.000 0.939 176 D HN 0.280 nan 8.370 nan 0.000 0.481 177 F N -0.148 119.458 119.950 -0.574 0.000 2.540 177 F HA 0.510 5.036 4.527 -0.003 0.000 0.317 177 F C -0.944 174.580 175.800 -0.459 0.000 1.104 177 F CA -0.583 57.047 58.000 -0.617 0.000 0.913 177 F CB 1.897 40.206 39.000 -1.152 0.000 1.170 177 F HN -0.362 nan 8.300 nan 0.000 0.450 178 T N 4.684 118.583 114.554 -1.091 0.000 2.893 178 T HA 0.499 4.848 4.350 -0.002 0.000 0.291 178 T C -1.699 172.415 174.700 -0.975 0.000 1.028 178 T CA -0.552 61.032 62.100 -0.861 0.000 0.995 178 T CB 1.826 70.437 68.868 -0.429 0.000 1.051 178 T HN 0.634 nan 8.240 nan 0.000 0.470 179 D N 0.388 120.472 120.400 -0.525 0.000 2.643 179 D HA 0.465 5.103 4.640 -0.002 0.000 0.283 179 D C -1.780 174.519 176.300 -0.002 0.000 1.242 179 D CA -0.684 53.158 54.000 -0.264 0.000 0.863 179 D CB 1.837 42.522 40.800 -0.190 0.000 1.382 179 D HN 0.369 nan 8.370 nan 0.000 0.444 180 L N 1.881 123.111 121.223 0.013 0.000 2.301 180 L HA 0.623 4.962 4.340 -0.002 0.000 0.278 180 L C -1.396 175.547 176.870 0.122 0.000 1.022 180 L CA -0.369 54.513 54.840 0.069 0.000 0.854 180 L CB 0.286 42.343 42.059 -0.003 0.000 1.226 180 L HN 0.475 nan 8.230 nan 0.000 0.429 181 C N 4.727 124.122 119.300 0.158 0.000 3.241 181 C HA 0.670 5.128 4.460 -0.002 0.000 0.312 181 C C 0.784 175.878 174.990 0.174 0.000 1.350 181 C CA -0.551 58.594 59.018 0.213 0.000 1.415 181 C CB 2.111 30.105 27.740 0.423 0.000 1.770 181 C HN 0.971 nan 8.230 nan 0.000 0.466 182 R N 1.446 122.021 120.500 0.126 0.000 2.531 182 R HA 0.358 4.696 4.340 -0.002 0.000 0.316 182 R C 0.566 176.891 176.300 0.041 0.000 0.955 182 R CA 0.240 56.388 56.100 0.080 0.000 1.120 182 R CB 0.008 30.329 30.300 0.036 0.000 1.361 182 R HN 0.709 nan 8.270 nan 0.000 0.534 183 G N 1.100 109.902 108.800 0.003 0.000 2.572 183 G HA2 0.382 4.341 3.960 -0.002 0.000 0.261 183 G HA3 0.382 4.341 3.960 -0.002 0.000 0.261 183 G C -0.321 174.490 174.900 -0.149 0.000 1.197 183 G CA -0.521 44.444 45.100 -0.224 0.000 0.870 183 G HN -0.000 nan 8.290 nan 0.000 0.548 184 V N 1.189 120.973 119.914 -0.217 0.000 2.614 184 V HA 0.244 4.362 4.120 -0.002 0.000 0.291 184 V C 0.100 176.106 176.094 -0.147 0.000 1.049 184 V CA -0.090 62.166 62.300 -0.072 0.000 1.038 184 V CB 0.589 32.382 31.823 -0.050 0.000 0.980 184 V HN 0.740 nan 8.190 nan 0.000 0.481 185 H N 1.531 120.672 119.070 0.119 0.000 2.693 185 H HA 0.577 5.132 4.556 -0.002 0.000 0.348 185 H C -0.170 175.220 175.328 0.104 0.000 1.222 185 H CA -0.667 55.465 56.048 0.140 0.000 1.270 185 H CB 1.613 31.458 29.762 0.138 0.000 1.798 185 H HN 0.460 nan 8.280 nan 0.000 0.592 186 V N 3.218 123.262 119.914 0.217 0.000 2.924 186 V HA 0.042 4.160 4.120 -0.002 0.000 0.305 186 V C -1.277 174.912 176.094 0.157 0.000 1.073 186 V CA -1.281 61.113 62.300 0.157 0.000 1.098 186 V CB 1.265 33.162 31.823 0.124 0.000 1.000 186 V HN 0.824 nan 8.190 nan 0.000 0.484 187 P HA -0.021 nan 4.420 nan 0.000 0.222 187 P C 0.196 177.549 177.300 0.088 0.000 1.153 187 P CA 0.728 63.885 63.100 0.096 0.000 0.798 187 P CB 0.443 32.187 31.700 0.074 0.000 0.796 188 S N -1.573 114.184 115.700 0.094 0.000 2.668 188 S HA 0.260 4.729 4.470 -0.002 0.000 0.277 188 S C 0.720 175.370 174.600 0.082 0.000 1.170 188 S CA -0.344 57.903 58.200 0.079 0.000 0.994 188 S CB 0.776 64.015 63.200 0.065 0.000 1.051 188 S HN -0.131 nan 8.310 nan 0.000 0.484 189 T N 3.528 118.126 114.554 0.074 0.000 3.003 189 T HA -0.112 4.237 4.350 -0.002 0.000 0.270 189 T C 1.520 176.251 174.700 0.052 0.000 1.153 189 T CA 1.797 63.933 62.100 0.059 0.000 1.089 189 T CB -0.447 68.450 68.868 0.047 0.000 0.838 189 T HN 0.769 nan 8.240 nan 0.000 0.562 190 A N 0.018 122.875 122.820 0.061 0.000 2.238 190 A HA 0.159 4.477 4.320 -0.002 0.000 0.208 190 A C 2.130 179.767 177.584 0.088 0.000 1.177 190 A CA 0.430 52.507 52.037 0.066 0.000 0.804 190 A CB -0.109 18.926 19.000 0.058 0.000 0.823 190 A HN 0.496 nan 8.150 nan 0.000 0.482 191 K N -0.297 120.163 120.400 0.100 0.000 2.323 191 K HA 0.214 4.532 4.320 -0.002 0.000 0.197 191 K C -0.160 176.499 176.600 0.098 0.000 1.043 191 K CA 0.288 56.658 56.287 0.137 0.000 0.997 191 K CB 0.172 32.785 32.500 0.188 0.000 0.807 191 K HN 0.478 nan 8.250 nan 0.000 0.497 192 I N 2.478 123.092 120.570 0.073 0.000 2.293 192 I HA 0.010 4.179 4.170 -0.002 0.000 0.299 192 I C 0.650 176.909 176.117 0.238 0.000 1.153 192 I CA 0.350 61.704 61.300 0.091 0.000 1.302 192 I CB 0.242 38.240 38.000 -0.003 0.000 1.460 192 I HN 0.065 nan 8.210 nan 0.000 0.552 193 K N 2.794 123.326 120.400 0.220 0.000 2.493 193 K HA 0.159 4.477 4.320 -0.002 0.000 0.201 193 K C 0.067 176.643 176.600 -0.041 0.000 1.355 193 K CA -0.033 56.344 56.287 0.151 0.000 0.953 193 K CB 0.716 33.265 32.500 0.080 0.000 1.316 193 K HN 0.287 nan 8.250 nan 0.000 0.522 194 E N 2.033 122.246 120.200 0.023 0.000 2.136 194 E HA 0.193 4.541 4.350 -0.002 0.000 0.246 194 E C -0.797 175.835 176.600 0.053 0.000 1.017 194 E CA -0.157 56.217 56.400 -0.043 0.000 0.883 194 E CB 0.032 29.767 29.700 0.058 0.000 1.199 194 E HN 0.115 nan 8.360 nan 0.000 0.447 195 F N -0.532 119.453 119.950 0.059 0.000 2.664 195 F HA 0.820 5.345 4.527 -0.003 0.000 0.329 195 F C -0.481 175.363 175.800 0.072 0.000 1.090 195 F CA -1.588 56.462 58.000 0.084 0.000 0.978 195 F CB 1.666 40.711 39.000 0.076 0.000 1.378 195 F HN -0.090 nan 8.300 nan 0.000 0.495 196 K N 1.055 121.632 120.400 0.296 0.000 2.589 196 K HA 0.514 4.833 4.320 -0.002 0.000 0.265 196 K C -2.342 174.308 176.600 0.083 0.000 0.935 196 K CA -0.536 55.838 56.287 0.146 0.000 0.850 196 K CB 1.787 34.335 32.500 0.080 0.000 1.372 196 K HN 0.864 nan 8.250 nan 0.000 0.420 197 L N 7.118 128.314 121.223 -0.045 0.000 2.257 197 L HA 0.316 4.655 4.340 -0.002 0.000 0.290 197 L C 0.907 177.772 176.870 -0.009 0.000 1.044 197 L CA -0.559 54.109 54.840 -0.288 0.000 0.810 197 L CB 0.734 42.178 42.059 -1.026 0.000 1.193 197 L HN 0.720 nan 8.230 nan 0.000 0.425 198 L N 2.090 123.375 121.223 0.104 0.000 2.022 198 L HA 0.046 4.384 4.340 -0.002 0.000 0.204 198 L C 0.958 178.055 176.870 0.379 0.000 1.076 198 L CA 0.774 55.750 54.840 0.228 0.000 0.749 198 L CB -0.321 41.813 42.059 0.124 0.000 0.903 198 L HN 0.734 nan 8.230 nan 0.000 0.439 199 S N -1.283 114.648 115.700 0.384 0.000 2.618 199 S HA 0.577 5.046 4.470 -0.002 0.000 0.277 199 S C -0.516 174.373 174.600 0.481 0.000 1.138 199 S CA -0.663 57.766 58.200 0.382 0.000 0.844 199 S CB 1.955 65.260 63.200 0.176 0.000 1.127 199 S HN 0.215 nan 8.310 nan 0.000 0.474 200 T N -1.199 113.555 114.554 0.334 0.000 2.809 200 T HA 0.853 5.202 4.350 -0.002 0.000 0.284 200 T C -0.131 174.668 174.700 0.164 0.000 0.992 200 T CA -0.503 61.747 62.100 0.250 0.000 0.957 200 T CB 1.016 69.990 68.868 0.177 0.000 0.942 200 T HN 1.258 nan 8.240 nan 0.000 0.439 201 A N 2.476 125.391 122.820 0.159 0.000 2.414 201 A HA 1.037 5.356 4.320 -0.002 0.000 0.278 201 A C 0.258 177.858 177.584 0.027 0.000 1.228 201 A CA -0.837 51.263 52.037 0.104 0.000 0.857 201 A CB 0.998 20.099 19.000 0.169 0.000 1.389 201 A HN 1.269 nan 8.150 nan 0.000 0.452 202 G N -0.773 108.023 108.800 -0.008 0.000 2.422 202 G HA2 0.682 4.640 3.960 -0.002 0.000 0.317 202 G HA3 0.682 4.640 3.960 -0.002 0.000 0.317 202 G C -0.458 174.296 174.900 -0.243 0.000 1.210 202 G CA 0.391 45.462 45.100 -0.047 0.000 0.930 202 G HN 1.408 nan 8.290 nan 0.000 0.468 203 A N 2.161 124.795 122.820 -0.311 0.000 2.401 203 A HA 0.822 5.141 4.320 -0.002 0.000 0.310 203 A C -1.171 176.162 177.584 -0.419 0.000 1.075 203 A CA -0.760 50.898 52.037 -0.632 0.000 0.746 203 A CB 1.103 19.872 19.000 -0.385 0.000 1.277 203 A HN 0.669 nan 8.150 nan 0.000 0.425 204 Y N -0.345 119.999 120.300 0.074 0.000 2.320 204 Y HA 0.379 4.928 4.550 -0.002 0.000 0.324 204 Y C 0.413 176.451 175.900 0.230 0.000 1.190 204 Y CA -1.426 56.747 58.100 0.121 0.000 1.215 204 Y CB 0.670 39.166 38.460 0.060 0.000 1.221 204 Y HN 0.737 nan 8.280 nan 0.000 0.486 205 W N 5.114 126.515 121.300 0.168 0.000 2.469 205 W HA 0.175 4.834 4.660 -0.002 0.000 0.321 205 W C 0.101 176.692 176.519 0.121 0.000 1.415 205 W CA -0.436 57.000 57.345 0.152 0.000 1.308 205 W CB 0.311 29.925 29.460 0.257 0.000 1.368 205 W HN 0.801 nan 8.180 nan 0.000 0.546 206 R N 3.438 123.728 120.500 -0.351 0.000 3.875 206 R HA -0.194 4.145 4.340 -0.002 0.000 0.321 206 R C 0.719 176.921 176.300 -0.163 0.000 1.196 206 R CA 0.832 56.626 56.100 -0.511 0.000 0.868 206 R CB -2.181 27.644 30.300 -0.792 0.000 1.333 206 R HN 0.978 nan 8.270 nan 0.000 0.522 207 G N 1.054 109.873 108.800 0.032 0.000 2.367 207 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.295 207 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.295 207 G C -0.603 174.344 174.900 0.079 0.000 1.019 207 G CA 0.459 45.654 45.100 0.158 0.000 1.224 207 G HN 0.471 nan 8.290 nan 0.000 0.510 208 D N 0.030 120.490 120.400 0.099 0.000 2.470 208 D HA 0.359 4.998 4.640 -0.002 0.000 0.233 208 D C 1.397 177.688 176.300 -0.016 0.000 1.372 208 D CA 0.046 54.039 54.000 -0.011 0.000 0.994 208 D CB 0.958 41.729 40.800 -0.048 0.000 1.377 208 D HN 0.056 nan 8.370 nan 0.000 0.586 209 S N 2.648 118.267 115.700 -0.135 0.000 2.389 209 S HA -0.261 4.208 4.470 -0.002 0.000 0.231 209 S C 1.600 176.163 174.600 -0.061 0.000 1.052 209 S CA 1.591 59.694 58.200 -0.161 0.000 1.053 209 S CB -0.300 62.766 63.200 -0.223 0.000 0.886 209 S HN 0.627 nan 8.310 nan 0.000 0.456 210 N N 1.835 120.505 118.700 -0.050 0.000 2.011 210 N HA -0.131 4.608 4.740 -0.002 0.000 0.199 210 N C 0.484 176.015 175.510 0.035 0.000 1.047 210 N CA 1.049 54.088 53.050 -0.018 0.000 0.863 210 N CB -0.500 37.972 38.487 -0.024 0.000 1.056 210 N HN 0.401 nan 8.380 nan 0.000 0.427 211 N N 1.359 120.105 118.700 0.077 0.000 2.202 211 N HA -0.045 4.693 4.740 -0.002 0.000 0.218 211 N C 0.130 175.758 175.510 0.195 0.000 1.328 211 N CA 0.284 53.439 53.050 0.174 0.000 0.884 211 N CB 0.450 39.107 38.487 0.284 0.000 1.106 211 N HN 0.171 nan 8.380 nan 0.000 0.439 212 K N 0.271 120.820 120.400 0.249 0.000 2.219 212 K HA 0.217 4.536 4.320 -0.002 0.000 0.258 212 K C -0.591 176.163 176.600 0.257 0.000 1.008 212 K CA -0.281 56.134 56.287 0.214 0.000 0.928 212 K CB 0.522 33.144 32.500 0.202 0.000 0.983 212 K HN 0.476 nan 8.250 nan 0.000 0.484 213 M N 4.583 124.298 119.600 0.191 0.000 2.149 213 M HA 0.243 4.722 4.480 -0.002 0.000 0.342 213 M C -1.501 174.857 176.300 0.095 0.000 1.068 213 M CA -0.834 54.581 55.300 0.193 0.000 0.991 213 M CB 0.731 33.459 32.600 0.212 0.000 1.596 213 M HN 0.427 nan 8.290 nan 0.000 0.439 214 L N 3.834 125.087 121.223 0.049 0.000 2.454 214 L HA 0.406 4.745 4.340 -0.002 0.000 0.256 214 L C -0.068 176.788 176.870 -0.024 0.000 1.136 214 L CA -0.040 54.775 54.840 -0.041 0.000 0.804 214 L CB 1.030 43.011 42.059 -0.129 0.000 1.181 214 L HN 0.609 nan 8.230 nan 0.000 0.469 215 Q N 1.254 121.053 119.800 -0.001 0.000 2.372 215 Q HA 0.415 4.753 4.340 -0.002 0.000 0.259 215 Q C -0.698 175.360 176.000 0.097 0.000 0.993 215 Q CA -0.477 55.341 55.803 0.025 0.000 0.854 215 Q CB 1.710 30.449 28.738 0.002 0.000 1.231 215 Q HN 0.349 nan 8.270 nan 0.000 0.462 216 R N 3.663 124.176 120.500 0.022 0.000 2.368 216 R HA 0.507 4.846 4.340 -0.002 0.000 0.302 216 R C -1.014 175.285 176.300 -0.002 0.000 1.002 216 R CA -0.263 55.833 56.100 -0.007 0.000 0.929 216 R CB 0.702 30.861 30.300 -0.235 0.000 1.073 216 R HN 0.585 nan 8.270 nan 0.000 0.464 217 I N 4.241 124.860 120.570 0.083 0.000 2.474 217 I HA 0.303 4.472 4.170 -0.002 0.000 0.294 217 I C -1.013 175.070 176.117 -0.057 0.000 1.005 217 I CA -1.065 60.285 61.300 0.084 0.000 1.113 217 I CB 1.730 39.821 38.000 0.150 0.000 1.289 217 I HN 0.604 nan 8.210 nan 0.000 0.436 218 Y N 3.002 123.357 120.300 0.091 0.000 2.360 218 Y HA 0.730 5.279 4.550 -0.002 0.000 0.337 218 Y C 0.668 176.434 175.900 -0.225 0.000 1.039 218 Y CA -0.433 57.649 58.100 -0.030 0.000 1.109 218 Y CB 2.162 40.611 38.460 -0.019 0.000 1.201 218 Y HN 0.616 nan 8.280 nan 0.000 0.458 219 G N 0.584 109.072 108.800 -0.520 0.000 2.708 219 G HA2 0.696 4.654 3.960 -0.002 0.000 0.289 219 G HA3 0.696 4.654 3.960 -0.002 0.000 0.289 219 G C -1.384 172.874 174.900 -1.070 0.000 1.416 219 G CA -0.866 43.774 45.100 -0.767 0.000 0.829 219 G HN 0.455 nan 8.290 nan 0.000 0.480 220 T N -1.123 113.172 114.554 -0.432 0.000 2.865 220 T HA 0.879 5.228 4.350 -0.002 0.000 0.294 220 T C -0.515 174.266 174.700 0.136 0.000 1.119 220 T CA -0.225 61.756 62.100 -0.199 0.000 1.007 220 T CB 1.918 70.727 68.868 -0.097 0.000 1.225 220 T HN 1.777 nan 8.240 nan 0.000 0.515 221 A N 0.738 123.562 122.820 0.006 0.000 2.604 221 A HA 0.859 5.178 4.320 -0.002 0.000 0.295 221 A C -2.091 175.328 177.584 -0.275 0.000 1.067 221 A CA -0.762 51.321 52.037 0.075 0.000 0.683 221 A CB 1.142 20.220 19.000 0.129 0.000 1.281 221 A HN 0.622 nan 8.150 nan 0.000 0.407 222 F N -0.814 119.085 119.950 -0.084 0.000 2.662 222 F HA 0.543 5.068 4.527 -0.003 0.000 0.312 222 F C 0.448 176.170 175.800 -0.131 0.000 1.113 222 F CA -0.381 57.563 58.000 -0.093 0.000 0.951 222 F CB 1.577 40.566 39.000 -0.018 0.000 1.344 222 F HN 0.586 nan 8.300 nan 0.000 0.462 223 F N 0.094 120.189 119.950 0.242 0.000 2.456 223 F HA 0.012 4.538 4.527 -0.003 0.000 0.298 223 F C 0.448 176.323 175.800 0.125 0.000 1.104 223 F CA 0.606 58.695 58.000 0.149 0.000 1.435 223 F CB 0.202 39.268 39.000 0.110 0.000 1.078 223 F HN 0.295 nan 8.300 nan 0.000 0.546 224 D N -1.759 118.813 120.400 0.286 0.000 2.859 224 D HA 0.152 4.791 4.640 -0.002 0.000 0.223 224 D C 0.210 176.557 176.300 0.080 0.000 1.218 224 D CA -0.637 53.459 54.000 0.159 0.000 0.850 224 D CB 1.338 42.217 40.800 0.131 0.000 1.656 224 D HN -0.077 nan 8.370 nan 0.000 0.484 225 K N 0.993 121.416 120.400 0.038 0.000 2.090 225 K HA -0.301 4.018 4.320 -0.002 0.000 0.218 225 K C 1.676 178.246 176.600 -0.050 0.000 1.055 225 K CA 2.041 58.321 56.287 -0.011 0.000 0.941 225 K CB -0.120 32.373 32.500 -0.012 0.000 0.722 225 K HN 0.408 nan 8.250 nan 0.000 0.458 226 K N 0.942 121.320 120.400 -0.036 0.000 1.988 226 K HA -0.225 4.094 4.320 -0.002 0.000 0.221 226 K C 2.091 178.615 176.600 -0.128 0.000 1.053 226 K CA 2.087 58.340 56.287 -0.057 0.000 0.959 226 K CB -0.226 32.260 32.500 -0.024 0.000 0.728 226 K HN 0.253 nan 8.250 nan 0.000 0.447 227 E N 0.584 120.702 120.200 -0.137 0.000 2.233 227 E HA -0.243 4.106 4.350 -0.002 0.000 0.199 227 E C 2.016 178.153 176.600 -0.772 0.000 1.004 227 E CA 1.043 57.262 56.400 -0.302 0.000 0.819 227 E CB -0.123 29.511 29.700 -0.109 0.000 0.738 227 E HN 0.180 nan 8.360 nan 0.000 0.478 228 L N 1.250 122.118 121.223 -0.592 0.000 2.034 228 L HA -0.101 4.238 4.340 -0.002 0.000 0.203 228 L C 2.059 178.764 176.870 -0.276 0.000 1.074 228 L CA 1.711 56.202 54.840 -0.581 0.000 0.748 228 L CB -0.085 41.882 42.059 -0.153 0.000 0.905 228 L HN -0.181 nan 8.230 nan 0.000 0.439 229 K N -0.451 119.854 120.400 -0.159 0.000 2.280 229 K HA -0.080 4.239 4.320 -0.002 0.000 0.202 229 K C 1.904 178.454 176.600 -0.082 0.000 1.047 229 K CA 0.949 57.184 56.287 -0.086 0.000 0.942 229 K CB -0.114 32.349 32.500 -0.062 0.000 0.739 229 K HN 0.519 nan 8.250 nan 0.000 0.457 230 A N 0.717 123.465 122.820 -0.119 0.000 1.872 230 A HA -0.187 4.132 4.320 -0.002 0.000 0.214 230 A C 2.000 179.538 177.584 -0.076 0.000 1.187 230 A CA 1.175 53.157 52.037 -0.092 0.000 0.614 230 A CB -0.750 18.191 19.000 -0.098 0.000 0.826 230 A HN 0.336 nan 8.150 nan 0.000 0.442 231 H N 0.194 119.127 119.070 -0.228 0.000 2.387 231 H HA -0.086 4.469 4.556 -0.002 0.000 0.299 231 H C 1.843 177.139 175.328 -0.054 0.000 1.099 231 H CA 1.951 57.915 56.048 -0.140 0.000 1.315 231 H CB -0.093 29.534 29.762 -0.224 0.000 1.380 231 H HN 0.414 nan 8.280 nan 0.000 0.513 232 L N 0.191 121.452 121.223 0.065 0.000 2.156 232 L HA -0.157 4.182 4.340 -0.002 0.000 0.208 232 L C 2.713 179.570 176.870 -0.021 0.000 1.095 232 L CA 0.872 55.740 54.840 0.046 0.000 0.770 232 L CB -0.337 41.750 42.059 0.048 0.000 0.914 232 L HN 0.309 nan 8.230 nan 0.000 0.439 233 Q N -0.678 119.098 119.800 -0.041 0.000 2.123 233 Q HA -0.185 4.153 4.340 -0.002 0.000 0.199 233 Q C 2.305 178.263 176.000 -0.069 0.000 0.966 233 Q CA 1.081 56.855 55.803 -0.048 0.000 0.845 233 Q CB -0.152 28.559 28.738 -0.046 0.000 0.907 233 Q HN 0.393 nan 8.270 nan 0.000 0.439 234 M N 1.074 120.615 119.600 -0.099 0.000 2.080 234 M HA -0.172 4.307 4.480 -0.002 0.000 0.260 234 M C 1.837 178.058 176.300 -0.133 0.000 1.068 234 M CA 1.692 56.917 55.300 -0.125 0.000 1.109 234 M CB -0.478 32.013 32.600 -0.181 0.000 1.342 234 M HN 0.253 nan 8.290 nan 0.000 0.405 235 L N -0.251 120.881 121.223 -0.151 0.000 2.093 235 L HA -0.172 4.166 4.340 -0.002 0.000 0.208 235 L C 2.333 179.165 176.870 -0.064 0.000 1.085 235 L CA 1.094 55.868 54.840 -0.109 0.000 0.755 235 L CB -0.697 41.319 42.059 -0.072 0.000 0.904 235 L HN 0.228 nan 8.230 nan 0.000 0.435 236 E N 0.468 120.638 120.200 -0.050 0.000 2.150 236 E HA -0.194 4.155 4.350 -0.002 0.000 0.193 236 E C 2.026 178.598 176.600 -0.047 0.000 0.985 236 E CA 1.031 57.408 56.400 -0.039 0.000 0.814 236 E CB 0.081 29.763 29.700 -0.030 0.000 0.752 236 E HN 0.391 nan 8.360 nan 0.000 0.466 237 E N -0.311 119.856 120.200 -0.055 0.000 2.077 237 E HA -0.144 4.205 4.350 -0.002 0.000 0.193 237 E C 2.115 178.680 176.600 -0.059 0.000 0.989 237 E CA 0.692 57.058 56.400 -0.056 0.000 0.800 237 E CB 0.025 29.690 29.700 -0.059 0.000 0.746 237 E HN 0.102 nan 8.360 nan 0.000 0.452 238 R N 0.990 121.452 120.500 -0.064 0.000 2.096 238 R HA -0.165 4.174 4.340 -0.002 0.000 0.240 238 R C 2.181 178.450 176.300 -0.053 0.000 1.139 238 R CA 1.235 57.299 56.100 -0.061 0.000 0.952 238 R CB -0.374 29.887 30.300 -0.065 0.000 0.854 238 R HN 0.157 nan 8.270 nan 0.000 0.436 239 K N 0.848 121.218 120.400 -0.050 0.000 2.063 239 K HA -0.173 4.146 4.320 -0.002 0.000 0.208 239 K C 2.045 178.615 176.600 -0.050 0.000 1.048 239 K CA 1.466 57.725 56.287 -0.047 0.000 0.928 239 K CB -0.104 32.370 32.500 -0.043 0.000 0.713 239 K HN 0.310 nan 8.250 nan 0.000 0.442 240 E N 0.297 120.468 120.200 -0.050 0.000 2.160 240 E HA -0.194 4.154 4.350 -0.002 0.000 0.195 240 E C 1.825 178.391 176.600 -0.057 0.000 0.991 240 E CA 1.034 57.404 56.400 -0.051 0.000 0.810 240 E CB 0.020 29.691 29.700 -0.048 0.000 0.742 240 E HN 0.225 nan 8.360 nan 0.000 0.466 241 R N 0.890 121.354 120.500 -0.060 0.000 2.299 241 R HA 0.013 4.352 4.340 -0.002 0.000 0.197 241 R C 0.459 176.733 176.300 -0.043 0.000 0.971 241 R CA -0.017 56.042 56.100 -0.068 0.000 1.030 241 R CB 0.112 30.362 30.300 -0.083 0.000 0.932 241 R HN 0.076 nan 8.270 nan 0.000 0.477 242 D N 1.853 122.231 120.400 -0.038 0.000 2.502 242 D HA -0.116 4.523 4.640 -0.002 0.000 0.249 242 D C 1.241 177.526 176.300 -0.025 0.000 1.188 242 D CA 0.384 54.369 54.000 -0.026 0.000 0.890 242 D CB 0.532 41.293 40.800 -0.066 0.000 1.140 242 D HN 0.439 nan 8.370 nan 0.000 0.505 243 H N 4.288 123.355 119.070 -0.005 0.000 2.518 243 H HA -0.143 4.412 4.556 -0.002 0.000 0.294 243 H C 1.142 176.547 175.328 0.129 0.000 1.083 243 H CA 0.951 57.028 56.048 0.048 0.000 1.264 243 H CB 0.073 29.861 29.762 0.043 0.000 1.370 243 H HN 0.422 nan 8.280 nan 0.000 0.560 244 R N 0.556 120.757 120.500 -0.499 0.000 2.153 244 R HA 0.007 4.345 4.340 -0.002 0.000 0.218 244 R C 2.540 178.729 176.300 -0.184 0.000 1.072 244 R CA 0.998 56.915 56.100 -0.305 0.000 0.990 244 R CB 0.154 30.272 30.300 -0.304 0.000 0.889 244 R HN 0.324 nan 8.270 nan 0.000 0.452 245 K N 0.912 121.227 120.400 -0.140 0.000 2.044 245 K HA -0.007 4.311 4.320 -0.002 0.000 0.204 245 K C 1.926 178.469 176.600 -0.095 0.000 1.045 245 K CA 0.913 57.134 56.287 -0.109 0.000 0.951 245 K CB 0.081 32.531 32.500 -0.084 0.000 0.738 245 K HN 0.009 nan 8.250 nan 0.000 0.443 246 I N 0.990 121.524 120.570 -0.060 0.000 2.179 246 I HA -0.183 3.986 4.170 -0.002 0.000 0.242 246 I C 2.421 178.524 176.117 -0.023 0.000 1.088 246 I CA 1.418 62.698 61.300 -0.034 0.000 1.357 246 I CB -0.622 37.367 38.000 -0.018 0.000 1.051 246 I HN 0.413 nan 8.210 nan 0.000 0.409 247 G N 0.668 109.472 108.800 0.007 0.000 2.485 247 G HA2 -0.317 3.641 3.960 -0.002 0.000 0.221 247 G HA3 -0.317 3.641 3.960 -0.002 0.000 0.221 247 G C 1.724 176.446 174.900 -0.296 0.000 1.115 247 G CA 1.029 46.100 45.100 -0.048 0.000 0.751 247 G HN 0.348 nan 8.290 nan 0.000 0.567 248 K N 0.205 120.434 120.400 -0.284 0.000 2.098 248 K HA 0.036 4.354 4.320 -0.002 0.000 0.203 248 K C 2.383 178.890 176.600 -0.155 0.000 1.051 248 K CA 0.957 57.083 56.287 -0.269 0.000 0.957 248 K CB -0.037 32.324 32.500 -0.231 0.000 0.738 248 K HN 0.349 nan 8.250 nan 0.000 0.447 249 E N 0.328 120.463 120.200 -0.109 0.000 2.106 249 E HA -0.140 4.209 4.350 -0.002 0.000 0.192 249 E C 1.172 177.739 176.600 -0.055 0.000 0.984 249 E CA 0.754 57.110 56.400 -0.073 0.000 0.806 249 E CB 0.160 29.825 29.700 -0.059 0.000 0.750 249 E HN 0.124 nan 8.360 nan 0.000 0.458 250 L N 0.794 121.992 121.223 -0.041 0.000 2.629 250 L HA 0.087 4.426 4.340 -0.002 0.000 0.230 250 L C -0.118 176.743 176.870 -0.014 0.000 1.151 250 L CA 0.559 55.395 54.840 -0.007 0.000 0.924 250 L CB -0.818 41.275 42.059 0.057 0.000 1.137 250 L HN 0.058 nan 8.230 nan 0.000 0.457 251 E N -0.825 119.340 120.200 -0.058 0.000 2.360 251 E HA -0.270 4.079 4.350 -0.002 0.000 0.238 251 E C 1.130 177.716 176.600 -0.023 0.000 1.186 251 E CA 0.121 56.485 56.400 -0.061 0.000 0.719 251 E CB -1.418 28.264 29.700 -0.030 0.000 1.236 251 E HN 0.458 nan 8.360 nan 0.000 0.386 252 L N -0.798 120.410 121.223 -0.024 0.000 2.068 252 L HA 0.106 4.445 4.340 -0.002 0.000 0.204 252 L C 1.221 178.182 176.870 0.151 0.000 1.076 252 L CA 1.250 56.146 54.840 0.094 0.000 0.753 252 L CB -0.205 41.970 42.059 0.194 0.000 0.910 252 L HN 0.290 nan 8.230 nan 0.000 0.439 253 F N -2.461 117.447 119.950 -0.070 0.000 2.831 253 F HA 0.707 5.232 4.527 -0.002 0.000 0.318 253 F C -1.117 174.636 175.800 -0.079 0.000 1.174 253 F CA -0.924 57.008 58.000 -0.114 0.000 0.918 253 F CB 1.427 40.241 39.000 -0.309 0.000 1.364 253 F HN -0.373 nan 8.300 nan 0.000 0.475 254 T N 0.960 115.574 114.554 0.100 0.000 2.889 254 T HA 0.428 4.776 4.350 -0.002 0.000 0.315 254 T C -1.540 173.257 174.700 0.163 0.000 1.291 254 T CA -1.140 60.973 62.100 0.022 0.000 1.028 254 T CB 1.814 70.677 68.868 -0.008 0.000 1.235 254 T HN 0.703 nan 8.240 nan 0.000 0.491 255 N N 0.830 119.598 118.700 0.113 0.000 2.477 255 N HA 0.686 5.424 4.740 -0.002 0.000 0.284 255 N C -0.889 174.661 175.510 0.067 0.000 1.182 255 N CA -0.778 52.338 53.050 0.110 0.000 0.949 255 N CB 1.954 40.505 38.487 0.106 0.000 1.204 255 N HN 0.607 nan 8.380 nan 0.000 0.526 256 S N -0.362 115.377 115.700 0.065 0.000 2.652 256 S HA 0.055 4.523 4.470 -0.002 0.000 0.273 256 S C 0.768 175.397 174.600 0.049 0.000 1.172 256 S CA -0.655 57.574 58.200 0.050 0.000 1.009 256 S CB 0.913 64.144 63.200 0.052 0.000 1.094 256 S HN 0.646 nan 8.310 nan 0.000 0.471 257 Q N 4.268 124.091 119.800 0.039 0.000 2.047 257 Q HA -0.180 4.159 4.340 -0.002 0.000 0.211 257 Q C 1.577 177.601 176.000 0.039 0.000 1.005 257 Q CA 2.040 57.865 55.803 0.037 0.000 0.866 257 Q CB -0.714 28.041 28.738 0.028 0.000 0.938 257 Q HN 0.775 nan 8.270 nan 0.000 0.414 258 L N 0.322 121.567 121.223 0.036 0.000 2.189 258 L HA -0.186 4.152 4.340 -0.002 0.000 0.214 258 L C 2.252 179.149 176.870 0.044 0.000 1.097 258 L CA 0.799 55.661 54.840 0.036 0.000 0.764 258 L CB -0.214 41.864 42.059 0.033 0.000 0.900 258 L HN 0.216 nan 8.230 nan 0.000 0.436 259 V N -1.456 118.489 119.914 0.053 0.000 2.398 259 V HA 0.308 4.427 4.120 -0.002 0.000 0.236 259 V C 0.914 177.050 176.094 0.071 0.000 1.054 259 V CA 1.109 63.447 62.300 0.063 0.000 1.060 259 V CB 0.280 32.148 31.823 0.074 0.000 0.707 259 V HN 0.495 nan 8.190 nan 0.000 0.480 260 G N -1.622 107.225 108.800 0.078 0.000 2.328 260 G HA2 0.578 4.537 3.960 -0.002 0.000 0.295 260 G HA3 0.578 4.537 3.960 -0.002 0.000 0.295 260 G C -1.467 173.488 174.900 0.092 0.000 1.413 260 G CA -0.122 45.030 45.100 0.087 0.000 0.817 260 G HN 0.566 nan 8.290 nan 0.000 0.546 261 A N -0.860 122.017 122.820 0.095 0.000 2.304 261 A HA 0.764 5.083 4.320 -0.002 0.000 0.301 261 A C 1.429 179.084 177.584 0.117 0.000 1.132 261 A CA 0.840 52.933 52.037 0.093 0.000 0.819 261 A CB 0.551 19.600 19.000 0.082 0.000 1.094 261 A HN 2.804 nan 8.150 nan 0.000 0.492 262 G N 0.165 109.027 108.800 0.103 0.000 2.283 262 G HA2 -0.181 3.777 3.960 -0.002 0.000 0.280 262 G HA3 -0.181 3.777 3.960 -0.002 0.000 0.280 262 G C -0.043 174.929 174.900 0.120 0.000 1.029 262 G CA 0.723 45.886 45.100 0.105 0.000 0.840 262 G HN 1.004 nan 8.290 nan 0.000 0.505 263 L N 0.723 122.013 121.223 0.112 0.000 2.725 263 L HA 0.238 4.577 4.340 -0.002 0.000 0.270 263 L C -1.776 175.158 176.870 0.105 0.000 1.422 263 L CA -1.496 53.419 54.840 0.125 0.000 0.770 263 L CB 1.165 43.313 42.059 0.147 0.000 1.081 263 L HN 0.059 nan 8.230 nan 0.000 0.527 264 P HA 0.079 nan 4.420 nan 0.000 0.269 264 P C -0.640 176.728 177.300 0.113 0.000 1.215 264 P CA 0.005 63.144 63.100 0.065 0.000 0.780 264 P CB 1.211 32.871 31.700 -0.068 0.000 0.898 265 L N 1.489 122.800 121.223 0.147 0.000 2.275 265 L HA 0.304 4.643 4.340 -0.002 0.000 0.288 265 L C -0.043 176.973 176.870 0.244 0.000 1.046 265 L CA -0.644 54.317 54.840 0.202 0.000 0.805 265 L CB 0.549 42.697 42.059 0.148 0.000 1.193 265 L HN 0.393 nan 8.230 nan 0.000 0.426 266 W N 4.290 125.653 121.300 0.105 0.000 2.387 266 W HA 0.426 5.085 4.660 -0.002 0.000 0.310 266 W C 0.169 176.737 176.519 0.082 0.000 1.181 266 W CA -0.198 57.215 57.345 0.114 0.000 1.333 266 W CB 0.328 29.826 29.460 0.064 0.000 1.286 266 W HN 0.332 nan 8.180 nan 0.000 0.455 267 L N 6.132 127.516 121.223 0.269 0.000 2.476 267 L HA 0.107 4.446 4.340 -0.002 0.000 0.255 267 L C -0.881 176.081 176.870 0.153 0.000 1.218 267 L CA -1.567 53.369 54.840 0.159 0.000 0.819 267 L CB -0.024 42.087 42.059 0.087 0.000 1.119 267 L HN 0.196 nan 8.230 nan 0.000 0.485 268 P HA -0.176 nan 4.420 nan 0.000 0.215 268 P C 0.903 178.238 177.300 0.059 0.000 1.163 268 P CA 1.382 64.522 63.100 0.066 0.000 0.894 268 P CB 0.084 31.808 31.700 0.041 0.000 0.791 269 N N -0.920 117.810 118.700 0.049 0.000 2.094 269 N HA -0.126 4.612 4.740 -0.002 0.000 0.191 269 N C 1.908 177.438 175.510 0.035 0.000 1.023 269 N CA 1.858 54.921 53.050 0.021 0.000 0.857 269 N CB -1.287 37.210 38.487 0.017 0.000 1.013 269 N HN 0.173 nan 8.380 nan 0.000 0.426 270 G N -0.178 108.706 108.800 0.140 0.000 2.394 270 G HA2 -0.078 3.881 3.960 -0.002 0.000 0.215 270 G HA3 -0.078 3.881 3.960 -0.002 0.000 0.215 270 G C 1.549 176.659 174.900 0.350 0.000 1.165 270 G CA 0.858 46.133 45.100 0.292 0.000 0.784 270 G HN 0.429 nan 8.290 nan 0.000 0.535 271 A N 0.184 123.149 122.820 0.241 0.000 2.019 271 A HA 0.016 4.334 4.320 -0.002 0.000 0.219 271 A C 2.456 180.008 177.584 -0.054 0.000 1.164 271 A CA 2.330 54.386 52.037 0.031 0.000 0.644 271 A CB -0.667 18.346 19.000 0.022 0.000 0.805 271 A HN 0.295 nan 8.150 nan 0.000 0.449 272 T N 0.068 114.605 114.554 -0.028 0.000 2.851 272 T HA 0.004 4.353 4.350 -0.002 0.000 0.262 272 T C 1.775 176.410 174.700 -0.109 0.000 1.043 272 T CA 1.230 63.292 62.100 -0.065 0.000 1.140 272 T CB -0.332 68.501 68.868 -0.057 0.000 0.872 272 T HN 0.448 nan 8.240 nan 0.000 0.446 273 I N 0.961 121.443 120.570 -0.148 0.000 2.208 273 I HA -0.215 3.953 4.170 -0.002 0.000 0.245 273 I C 2.785 178.818 176.117 -0.140 0.000 1.097 273 I CA 1.388 62.549 61.300 -0.231 0.000 1.363 273 I CB -0.386 37.410 38.000 -0.339 0.000 1.051 273 I HN 0.144 nan 8.210 nan 0.000 0.413 274 R N 1.121 121.554 120.500 -0.111 0.000 2.073 274 R HA -0.195 4.144 4.340 -0.002 0.000 0.234 274 R C 2.551 178.757 176.300 -0.158 0.000 1.134 274 R CA 1.499 57.484 56.100 -0.192 0.000 0.952 274 R CB -0.231 29.746 30.300 -0.539 0.000 0.850 274 R HN 0.211 nan 8.270 nan 0.000 0.433 275 R N 0.308 120.726 120.500 -0.137 0.000 2.091 275 R HA -0.138 4.201 4.340 -0.002 0.000 0.238 275 R C 1.884 178.175 176.300 -0.015 0.000 1.136 275 R CA 1.752 57.802 56.100 -0.083 0.000 0.959 275 R CB -0.058 30.203 30.300 -0.065 0.000 0.856 275 R HN 0.281 nan 8.270 nan 0.000 0.437 276 E N 0.452 120.648 120.200 -0.007 0.000 2.110 276 E HA -0.200 4.149 4.350 -0.002 0.000 0.193 276 E C 2.065 178.773 176.600 0.179 0.000 0.988 276 E CA 1.227 57.677 56.400 0.083 0.000 0.804 276 E CB -0.142 29.550 29.700 -0.013 0.000 0.745 276 E HN 0.484 nan 8.360 nan 0.000 0.458 277 I N 1.091 121.708 120.570 0.078 0.000 2.286 277 I HA -0.219 3.949 4.170 -0.002 0.000 0.245 277 I C 2.278 178.511 176.117 0.193 0.000 1.104 277 I CA 0.924 62.337 61.300 0.189 0.000 1.397 277 I CB -0.226 37.823 38.000 0.082 0.000 1.072 277 I HN 0.060 nan 8.210 nan 0.000 0.417 278 E N 0.660 120.889 120.200 0.049 0.000 2.058 278 E HA -0.213 4.136 4.350 -0.002 0.000 0.194 278 E C 2.317 178.927 176.600 0.016 0.000 0.997 278 E CA 0.925 57.321 56.400 -0.007 0.000 0.801 278 E CB -0.124 29.531 29.700 -0.076 0.000 0.746 278 E HN 0.340 nan 8.360 nan 0.000 0.450 279 R N 0.400 120.932 120.500 0.053 0.000 2.091 279 R HA -0.170 4.169 4.340 -0.002 0.000 0.238 279 R C 2.256 178.607 176.300 0.086 0.000 1.136 279 R CA 1.272 57.398 56.100 0.043 0.000 0.959 279 R CB -0.990 29.349 30.300 0.065 0.000 0.856 279 R HN 0.382 nan 8.270 nan 0.000 0.437 280 Y N 1.144 121.487 120.300 0.072 0.000 2.070 280 Y HA -0.238 4.311 4.550 -0.002 0.000 0.280 280 Y C 2.243 178.150 175.900 0.011 0.000 1.148 280 Y CA 1.645 59.789 58.100 0.074 0.000 1.125 280 Y CB -0.543 38.080 38.460 0.271 0.000 0.975 280 Y HN -0.058 nan 8.280 nan 0.000 0.492 281 I N -0.414 120.100 120.570 -0.095 0.000 2.315 281 I HA -0.188 3.980 4.170 -0.002 0.000 0.248 281 I C 2.146 178.114 176.117 -0.248 0.000 1.117 281 I CA 1.125 62.257 61.300 -0.281 0.000 1.404 281 I CB -0.530 37.442 38.000 -0.048 0.000 1.071 281 I HN 0.223 nan 8.210 nan 0.000 0.419 282 V N 0.379 120.172 119.914 -0.201 0.000 2.453 282 V HA -0.231 3.887 4.120 -0.002 0.000 0.247 282 V C 2.108 178.079 176.094 -0.204 0.000 1.048 282 V CA 1.856 63.986 62.300 -0.284 0.000 1.049 282 V CB -0.775 30.797 31.823 -0.419 0.000 0.672 282 V HN 0.362 nan 8.190 nan 0.000 0.457 283 D N 0.005 120.299 120.400 -0.176 0.000 2.117 283 D HA -0.171 4.468 4.640 -0.002 0.000 0.197 283 D C 2.181 178.387 176.300 -0.155 0.000 0.987 283 D CA 1.373 55.290 54.000 -0.138 0.000 0.829 283 D CB -0.160 40.570 40.800 -0.117 0.000 0.961 283 D HN 0.404 nan 8.370 nan 0.000 0.460 284 K N 0.867 121.115 120.400 -0.252 0.000 2.026 284 K HA -0.154 4.165 4.320 -0.002 0.000 0.208 284 K C 1.814 178.317 176.600 -0.162 0.000 1.048 284 K CA 1.246 57.380 56.287 -0.256 0.000 0.929 284 K CB 0.086 32.322 32.500 -0.440 0.000 0.713 284 K HN 0.102 nan 8.250 nan 0.000 0.439 285 E N 0.197 120.284 120.200 -0.188 0.000 2.077 285 E HA -0.156 4.193 4.350 -0.002 0.000 0.193 285 E C 2.014 178.661 176.600 0.078 0.000 0.989 285 E CA 1.317 57.610 56.400 -0.178 0.000 0.800 285 E CB -0.004 29.458 29.700 -0.398 0.000 0.746 285 E HN 0.092 nan 8.360 nan 0.000 0.452 286 V N 1.673 121.624 119.914 0.061 0.000 2.490 286 V HA -0.233 3.885 4.120 -0.002 0.000 0.250 286 V C 2.409 178.526 176.094 0.039 0.000 1.061 286 V CA 2.026 64.372 62.300 0.077 0.000 1.064 286 V CB -0.458 31.388 31.823 0.038 0.000 0.670 286 V HN 0.362 nan 8.190 nan 0.000 0.461 287 S N -1.408 114.294 115.700 0.004 0.000 2.562 287 S HA 0.085 4.554 4.470 -0.002 0.000 0.221 287 S C 1.401 176.008 174.600 0.011 0.000 0.975 287 S CA 0.509 58.704 58.200 -0.008 0.000 0.918 287 S CB -0.229 62.948 63.200 -0.039 0.000 0.772 287 S HN 0.555 nan 8.310 nan 0.000 0.531 288 M N 1.146 120.782 119.600 0.061 0.000 2.576 288 M HA 0.342 4.821 4.480 -0.002 0.000 0.322 288 M C 1.002 177.348 176.300 0.076 0.000 1.184 288 M CA 0.220 55.572 55.300 0.087 0.000 0.967 288 M CB 0.801 33.498 32.600 0.162 0.000 1.372 288 M HN 0.478 nan 8.290 nan 0.000 0.509 289 G N 0.598 109.427 108.800 0.048 0.000 2.198 289 G HA2 -0.280 3.678 3.960 -0.002 0.000 0.257 289 G HA3 -0.280 3.678 3.960 -0.002 0.000 0.257 289 G C -0.555 174.301 174.900 -0.073 0.000 1.042 289 G CA -0.126 44.957 45.100 -0.028 0.000 0.791 289 G HN 0.462 nan 8.290 nan 0.000 0.502 290 Y N 0.156 120.409 120.300 -0.078 0.000 2.376 290 Y HA 0.526 5.075 4.550 -0.002 0.000 0.325 290 Y C 0.414 176.240 175.900 -0.125 0.000 1.199 290 Y CA -0.733 57.295 58.100 -0.121 0.000 1.206 290 Y CB 1.360 39.732 38.460 -0.148 0.000 1.229 290 Y HN 0.081 nan 8.280 nan 0.000 0.480 291 D N 1.575 121.959 120.400 -0.026 0.000 2.441 291 D HA 0.118 4.757 4.640 -0.002 0.000 0.231 291 D C -0.513 175.691 176.300 -0.160 0.000 1.073 291 D CA -0.296 53.666 54.000 -0.063 0.000 0.850 291 D CB 0.390 41.145 40.800 -0.075 0.000 1.062 291 D HN 0.502 nan 8.370 nan 0.000 0.524 292 H N 0.915 119.951 119.070 -0.058 0.000 2.764 292 H HA 0.247 4.802 4.556 -0.002 0.000 0.341 292 H C 0.476 175.706 175.328 -0.162 0.000 1.072 292 H CA 0.051 56.019 56.048 -0.134 0.000 1.444 292 H CB 1.534 31.194 29.762 -0.169 0.000 1.458 292 H HN 0.188 nan 8.280 nan 0.000 0.572 293 V N 2.195 122.017 119.914 -0.154 0.000 3.156 293 V HA 0.571 4.689 4.120 -0.002 0.000 0.311 293 V C -1.598 174.373 176.094 -0.206 0.000 1.208 293 V CA -0.906 61.332 62.300 -0.105 0.000 1.063 293 V CB 2.407 34.179 31.823 -0.085 0.000 1.098 293 V HN 0.589 nan 8.190 nan 0.000 0.452 294 Y N 0.197 120.532 120.300 0.058 0.000 2.332 294 Y HA 0.706 5.254 4.550 -0.002 0.000 0.325 294 Y C 0.217 176.144 175.900 0.046 0.000 1.054 294 Y CA -0.115 58.018 58.100 0.055 0.000 1.119 294 Y CB 2.225 40.705 38.460 0.032 0.000 1.168 294 Y HN 1.014 nan 8.280 nan 0.000 0.439 295 T N 0.681 115.339 114.554 0.174 0.000 2.924 295 T HA 0.678 5.027 4.350 -0.002 0.000 0.291 295 T C -2.844 171.823 174.700 -0.054 0.000 1.045 295 T CA -2.723 59.424 62.100 0.078 0.000 1.015 295 T CB 1.970 70.899 68.868 0.102 0.000 1.103 295 T HN 0.119 nan 8.240 nan 0.000 0.496 296 P HA 0.101 nan 4.420 nan 0.000 0.269 296 P C 0.548 177.703 177.300 -0.242 0.000 1.211 296 P CA -0.445 62.592 63.100 -0.105 0.000 0.781 296 P CB 0.437 32.151 31.700 0.024 0.000 0.877 297 V N 1.160 121.032 119.914 -0.071 0.000 3.647 297 V HA 0.110 4.229 4.120 -0.002 0.000 0.279 297 V C -0.132 176.004 176.094 0.070 0.000 1.314 297 V CA 0.577 62.863 62.300 -0.023 0.000 1.125 297 V CB -0.882 30.969 31.823 0.047 0.000 0.907 297 V HN 0.305 nan 8.190 nan 0.000 0.434 298 L N -1.275 120.019 121.223 0.119 0.000 2.397 298 L HA 1.086 5.425 4.340 -0.002 0.000 0.251 298 L C -0.582 176.485 176.870 0.329 0.000 1.064 298 L CA -1.107 53.872 54.840 0.232 0.000 0.859 298 L CB 0.705 42.848 42.059 0.140 0.000 1.468 298 L HN -0.087 nan 8.230 nan 0.000 0.411 299 A N -0.159 122.824 122.820 0.270 0.000 2.566 299 A HA 0.554 4.873 4.320 -0.002 0.000 0.290 299 A C -1.460 176.137 177.584 0.022 0.000 1.071 299 A CA -0.578 51.523 52.037 0.107 0.000 0.658 299 A CB 1.052 19.985 19.000 -0.112 0.000 1.285 299 A HN 0.837 nan 8.150 nan 0.000 0.427 300 N N 0.704 119.365 118.700 -0.066 0.000 2.452 300 N HA 0.094 4.832 4.740 -0.002 0.000 0.266 300 N C 1.388 176.799 175.510 -0.164 0.000 1.209 300 N CA 0.436 53.435 53.050 -0.085 0.000 0.929 300 N CB 1.183 39.616 38.487 -0.090 0.000 1.063 300 N HN 0.482 nan 8.380 nan 0.000 0.472 301 V N 3.196 123.025 119.914 -0.142 0.000 2.495 301 V HA -0.294 3.825 4.120 -0.002 0.000 0.260 301 V C 1.651 177.549 176.094 -0.326 0.000 1.097 301 V CA 1.746 63.896 62.300 -0.250 0.000 1.105 301 V CB -0.445 31.051 31.823 -0.545 0.000 0.678 301 V HN 0.665 nan 8.190 nan 0.000 0.469 302 D N -0.375 119.863 120.400 -0.269 0.000 2.182 302 D HA -0.173 4.465 4.640 -0.002 0.000 0.201 302 D C 1.977 178.155 176.300 -0.203 0.000 0.986 302 D CA 1.267 55.134 54.000 -0.221 0.000 0.847 302 D CB -0.099 40.606 40.800 -0.157 0.000 0.942 302 D HN 0.469 nan 8.370 nan 0.000 0.467 303 L N -0.394 120.654 121.223 -0.291 0.000 2.093 303 L HA -0.152 4.186 4.340 -0.002 0.000 0.208 303 L C 1.974 178.701 176.870 -0.239 0.000 1.085 303 L CA 1.409 56.066 54.840 -0.305 0.000 0.755 303 L CB -0.408 41.317 42.059 -0.557 0.000 0.904 303 L HN 0.063 nan 8.230 nan 0.000 0.435 304 Y N -0.801 119.554 120.300 0.091 0.000 2.395 304 Y HA -0.085 4.464 4.550 -0.002 0.000 0.293 304 Y C 2.353 178.419 175.900 0.277 0.000 1.123 304 Y CA 0.514 58.761 58.100 0.244 0.000 1.227 304 Y CB -0.052 38.620 38.460 0.353 0.000 1.012 304 Y HN 0.116 nan 8.280 nan 0.000 0.552 305 K N -0.345 120.156 120.400 0.168 0.000 2.062 305 K HA -0.090 4.229 4.320 -0.002 0.000 0.205 305 K C 1.930 178.580 176.600 0.083 0.000 1.051 305 K CA 1.732 58.087 56.287 0.115 0.000 0.941 305 K CB -0.260 32.173 32.500 -0.110 0.000 0.719 305 K HN 0.147 nan 8.250 nan 0.000 0.440 306 T N 0.779 115.316 114.554 -0.029 0.000 2.821 306 T HA -0.106 4.242 4.350 -0.002 0.000 0.267 306 T C 2.063 176.658 174.700 -0.176 0.000 1.046 306 T CA 1.644 63.627 62.100 -0.195 0.000 1.139 306 T CB -0.138 68.463 68.868 -0.444 0.000 0.871 306 T HN 0.321 nan 8.240 nan 0.000 0.454 307 S N 0.271 116.046 115.700 0.125 0.000 2.461 307 S HA 0.310 4.778 4.470 -0.002 0.000 0.228 307 S C 1.997 176.964 174.600 0.613 0.000 1.005 307 S CA 0.740 59.247 58.200 0.511 0.000 0.942 307 S CB -0.202 63.546 63.200 0.913 0.000 0.776 307 S HN 0.703 nan 8.310 nan 0.000 0.514 308 G N 0.525 109.573 108.800 0.413 0.000 2.195 308 G HA2 -0.267 3.691 3.960 -0.002 0.000 0.224 308 G HA3 -0.267 3.691 3.960 -0.002 0.000 0.224 308 G C 0.478 175.326 174.900 -0.087 0.000 0.990 308 G CA 0.395 45.595 45.100 0.167 0.000 0.639 308 G HN 0.568 nan 8.290 nan 0.000 0.514 309 H N -1.184 118.013 119.070 0.212 0.000 2.319 309 H HA -0.030 4.525 4.556 -0.002 0.000 0.299 309 H C 2.149 177.638 175.328 0.268 0.000 1.092 309 H CA 2.143 58.351 56.048 0.268 0.000 1.302 309 H CB -0.159 29.864 29.762 0.434 0.000 1.373 309 H HN 0.561 nan 8.280 nan 0.000 0.497 310 W N 1.842 123.302 121.300 0.266 0.000 2.338 310 W HA -0.208 4.450 4.660 -0.002 0.000 0.304 310 W C 1.090 177.618 176.519 0.014 0.000 1.212 310 W CA 1.710 59.152 57.345 0.162 0.000 1.264 310 W CB -0.035 29.524 29.460 0.166 0.000 1.142 310 W HN 0.329 nan 8.180 nan 0.000 0.512 311 D N -1.500 118.928 120.400 0.046 0.000 2.077 311 D HA -0.171 4.467 4.640 -0.002 0.000 0.196 311 D C 1.578 177.586 176.300 -0.487 0.000 0.986 311 D CA 1.395 55.228 54.000 -0.278 0.000 0.829 311 D CB -0.690 39.860 40.800 -0.417 0.000 0.983 311 D HN 0.388 nan 8.370 nan 0.000 0.453 312 H N -2.065 116.844 119.070 -0.268 0.000 2.551 312 H HA 0.061 4.615 4.556 -0.002 0.000 0.271 312 H C 0.424 175.730 175.328 -0.036 0.000 0.984 312 H CA 0.139 56.050 56.048 -0.229 0.000 1.164 312 H CB 0.702 30.224 29.762 -0.400 0.000 1.437 312 H HN 0.180 nan 8.280 nan 0.000 0.550 313 Y N 0.932 121.178 120.300 -0.091 0.000 2.626 313 Y HA 0.156 4.705 4.550 -0.002 0.000 0.248 313 Y C 1.984 177.870 175.900 -0.025 0.000 1.147 313 Y CA -0.169 57.938 58.100 0.011 0.000 1.219 313 Y CB 0.701 39.241 38.460 0.134 0.000 1.279 313 Y HN -0.035 nan 8.280 nan 0.000 0.541 314 Q N 0.174 119.904 119.800 -0.117 0.000 2.291 314 Q HA -0.183 4.155 4.340 -0.002 0.000 0.206 314 Q C 1.334 177.221 176.000 -0.188 0.000 0.976 314 Q CA 1.438 57.112 55.803 -0.215 0.000 0.875 314 Q CB 0.141 28.604 28.738 -0.458 0.000 0.927 314 Q HN 0.582 nan 8.270 nan 0.000 0.450 315 E N 0.158 120.224 120.200 -0.223 0.000 2.338 315 E HA -0.146 4.203 4.350 -0.002 0.000 0.197 315 E C 0.615 177.077 176.600 -0.231 0.000 1.007 315 E CA 0.655 56.920 56.400 -0.224 0.000 0.849 315 E CB 0.240 29.806 29.700 -0.224 0.000 0.774 315 E HN 0.345 nan 8.360 nan 0.000 0.506 316 D N -0.650 119.585 120.400 -0.275 0.000 2.407 316 D HA 0.090 4.729 4.640 -0.002 0.000 0.208 316 D C 0.586 176.950 176.300 0.106 0.000 1.083 316 D CA 0.261 54.134 54.000 -0.213 0.000 0.844 316 D CB 0.444 40.846 40.800 -0.664 0.000 0.967 316 D HN 0.148 nan 8.370 nan 0.000 0.506 317 M N -0.011 119.686 119.600 0.161 0.000 2.267 317 M HA 0.275 4.753 4.480 -0.002 0.000 0.303 317 M C -0.012 176.547 176.300 0.431 0.000 1.164 317 M CA -0.525 54.972 55.300 0.329 0.000 1.060 317 M CB 0.986 33.736 32.600 0.251 0.000 1.455 317 M HN -0.305 nan 8.290 nan 0.000 0.483 318 F N 1.370 121.399 119.950 0.131 0.000 2.370 318 F HA 0.443 4.968 4.527 -0.002 0.000 0.319 318 F C -1.620 174.216 175.800 0.059 0.000 1.129 318 F CA -2.025 55.965 58.000 -0.016 0.000 1.109 318 F CB 0.122 39.069 39.000 -0.088 0.000 1.262 318 F HN 0.288 nan 8.300 nan 0.000 0.534 319 P HA 0.215 nan 4.420 nan 0.000 0.274 319 P C -2.699 174.730 177.300 0.214 0.000 1.231 319 P CA -1.042 62.163 63.100 0.175 0.000 0.790 319 P CB 0.231 31.991 31.700 0.101 0.000 0.951 320 P HA 0.358 nan 4.420 nan 0.000 0.274 320 P C -0.434 176.957 177.300 0.152 0.000 1.260 320 P CA -0.084 63.157 63.100 0.235 0.000 0.793 320 P CB 0.265 32.141 31.700 0.293 0.000 1.048 321 M N -0.763 118.909 119.600 0.120 0.000 2.342 321 M HA 0.588 5.067 4.480 -0.002 0.000 0.276 321 M C -1.567 174.770 176.300 0.063 0.000 1.054 321 M CA -0.533 54.818 55.300 0.084 0.000 0.930 321 M CB 2.210 34.855 32.600 0.074 0.000 1.929 321 M HN 0.294 nan 8.290 nan 0.000 0.492 322 Q N 2.885 122.715 119.800 0.050 0.000 2.291 322 Q HA 0.596 4.934 4.340 -0.002 0.000 0.386 322 Q C -2.108 173.909 176.000 0.029 0.000 0.542 322 Q CA -0.084 55.740 55.803 0.036 0.000 1.064 322 Q CB 0.730 29.487 28.738 0.031 0.000 0.937 322 Q HN 1.208 nan 8.270 nan 0.000 0.442 323 L N 1.698 122.934 121.223 0.022 0.000 2.445 323 L HA 0.601 4.939 4.340 -0.002 0.000 0.252 323 L C -0.756 176.122 176.870 0.014 0.000 1.105 323 L CA -0.303 54.547 54.840 0.017 0.000 0.943 323 L CB 0.820 42.888 42.059 0.014 0.000 1.277 323 L HN 0.572 nan 8.230 nan 0.000 0.465 324 D N 2.158 122.568 120.400 0.018 0.000 2.734 324 D HA -0.251 4.388 4.640 -0.002 0.000 0.162 324 D C 1.114 177.419 176.300 0.009 0.000 1.067 324 D CA 2.012 56.021 54.000 0.016 0.000 0.682 324 D CB 0.590 41.401 40.800 0.018 0.000 1.072 324 D HN 0.935 nan 8.370 nan 0.000 0.471 325 E N -0.471 119.733 120.200 0.006 0.000 3.713 325 E HA -0.392 3.957 4.350 -0.002 0.000 0.287 325 E C 0.622 177.220 176.600 -0.004 0.000 0.672 325 E CA 2.031 58.431 56.400 0.001 0.000 1.003 325 E CB -0.969 28.733 29.700 0.004 0.000 1.545 325 E HN 0.651 nan 8.360 nan 0.000 0.438 326 T N -0.723 113.829 114.554 -0.003 0.000 3.146 326 T HA 0.128 4.477 4.350 -0.002 0.000 0.235 326 T C 0.311 175.004 174.700 -0.012 0.000 0.985 326 T CA 0.762 62.858 62.100 -0.006 0.000 1.265 326 T CB 0.124 68.992 68.868 -0.001 0.000 0.946 326 T HN 0.175 nan 8.240 nan 0.000 0.418 327 E N 0.411 120.607 120.200 -0.007 0.000 2.369 327 E HA 0.674 5.023 4.350 -0.002 0.000 0.270 327 E C -1.300 175.297 176.600 -0.005 0.000 0.909 327 E CA -0.699 55.695 56.400 -0.011 0.000 0.775 327 E CB 2.321 32.020 29.700 -0.002 0.000 1.270 327 E HN 0.135 nan 8.360 nan 0.000 0.445 328 S N 1.925 117.618 115.700 -0.013 0.000 2.689 328 S HA 0.417 4.885 4.470 -0.002 0.000 0.274 328 S C -1.208 173.399 174.600 0.012 0.000 1.176 328 S CA -0.731 57.470 58.200 0.001 0.000 1.014 328 S CB 0.415 63.598 63.200 -0.030 0.000 1.071 328 S HN 0.414 nan 8.310 nan 0.000 0.478 329 M N 4.281 123.917 119.600 0.060 0.000 2.578 329 M HA 0.678 5.157 4.480 -0.002 0.000 0.321 329 M C -0.523 175.879 176.300 0.169 0.000 1.182 329 M CA -0.894 54.467 55.300 0.102 0.000 0.965 329 M CB 1.357 34.009 32.600 0.088 0.000 1.694 329 M HN 0.454 nan 8.290 nan 0.000 0.461 330 V N 0.362 120.424 119.914 0.248 0.000 3.007 330 V HA 0.579 4.698 4.120 -0.002 0.000 0.311 330 V C -0.370 175.873 176.094 0.249 0.000 1.120 330 V CA -1.094 61.378 62.300 0.287 0.000 0.980 330 V CB 2.072 34.146 31.823 0.418 0.000 1.033 330 V HN 0.782 nan 8.190 nan 0.000 0.429 331 L N 3.286 124.589 121.223 0.134 0.000 2.410 331 L HA 0.420 4.759 4.340 -0.002 0.000 0.273 331 L C 1.093 178.041 176.870 0.129 0.000 1.152 331 L CA -0.363 54.512 54.840 0.058 0.000 0.855 331 L CB 0.629 42.560 42.059 -0.214 0.000 1.129 331 L HN 0.888 nan 8.230 nan 0.000 0.463 332 R N 5.032 125.646 120.500 0.191 0.000 2.570 332 R HA 0.123 4.462 4.340 -0.002 0.000 0.277 332 R C -2.175 174.172 176.300 0.078 0.000 1.039 332 R CA -0.990 55.196 56.100 0.144 0.000 1.065 332 R CB 0.339 30.809 30.300 0.284 0.000 0.964 332 R HN 0.377 nan 8.270 nan 0.000 0.428 333 P HA 0.147 nan 4.420 nan 0.000 0.275 333 P C -0.364 177.015 177.300 0.131 0.000 1.310 333 P CA 0.370 63.570 63.100 0.166 0.000 0.904 333 P CB 0.759 32.658 31.700 0.333 0.000 1.381 334 M N -1.004 118.636 119.600 0.065 0.000 2.773 334 M HA 0.270 4.749 4.480 -0.002 0.000 0.270 334 M C -0.231 176.113 176.300 0.074 0.000 1.238 334 M CA -0.558 54.799 55.300 0.095 0.000 0.832 334 M CB 2.107 34.816 32.600 0.182 0.000 1.672 334 M HN -0.379 nan 8.290 nan 0.000 0.480 335 N N -0.422 118.309 118.700 0.052 0.000 2.184 335 N HA 0.124 4.862 4.740 -0.002 0.000 0.206 335 N C 1.100 176.415 175.510 -0.325 0.000 1.151 335 N CA 0.248 53.237 53.050 -0.102 0.000 0.878 335 N CB 0.125 38.445 38.487 -0.278 0.000 1.014 335 N HN 0.667 nan 8.380 nan 0.000 0.512 336 C N 1.849 120.985 119.300 -0.273 0.000 2.413 336 C HA -0.064 4.395 4.460 -0.002 0.000 0.278 336 C C 0.041 174.806 174.990 -0.375 0.000 1.224 336 C CA 0.715 59.353 59.018 -0.634 0.000 1.732 336 C CB -1.792 25.902 27.740 -0.077 0.000 2.050 336 C HN 0.322 nan 8.230 nan 0.000 0.463 337 P HA -0.164 nan 4.420 nan 0.000 0.218 337 P C 0.742 177.870 177.300 -0.287 0.000 1.148 337 P CA 1.894 64.863 63.100 -0.220 0.000 0.822 337 P CB -0.365 31.357 31.700 0.037 0.000 0.784 338 H N -1.440 117.554 119.070 -0.128 0.000 2.395 338 H HA -0.034 4.520 4.556 -0.002 0.000 0.299 338 H C 2.198 177.538 175.328 0.019 0.000 1.070 338 H CA 1.378 57.399 56.048 -0.045 0.000 1.356 338 H CB -0.746 29.025 29.762 0.015 0.000 1.401 338 H HN 0.392 nan 8.280 nan 0.000 0.524 339 H N -1.359 117.666 119.070 -0.075 0.000 2.495 339 H HA -0.076 4.478 4.556 -0.002 0.000 0.287 339 H C 1.702 177.010 175.328 -0.033 0.000 1.033 339 H CA 0.516 56.519 56.048 -0.074 0.000 1.307 339 H CB 0.223 29.875 29.762 -0.183 0.000 1.401 339 H HN 0.249 nan 8.280 nan 0.000 0.555 340 M N -0.080 119.461 119.600 -0.099 0.000 2.200 340 M HA -0.124 4.354 4.480 -0.002 0.000 0.265 340 M C 1.814 178.017 176.300 -0.161 0.000 1.066 340 M CA 1.135 56.312 55.300 -0.204 0.000 1.127 340 M CB 0.186 32.254 32.600 -0.887 0.000 1.379 340 M HN 0.189 nan 8.290 nan 0.000 0.420 341 M N -0.690 118.809 119.600 -0.169 0.000 2.374 341 M HA -0.072 4.407 4.480 -0.002 0.000 0.264 341 M C 1.870 178.155 176.300 -0.024 0.000 1.067 341 M CA 1.123 56.380 55.300 -0.072 0.000 1.103 341 M CB -0.988 31.576 32.600 -0.059 0.000 1.402 341 M HN 0.228 nan 8.290 nan 0.000 0.444 342 I N -1.335 119.231 120.570 -0.007 0.000 2.333 342 I HA -0.258 3.910 4.170 -0.002 0.000 0.246 342 I C 2.435 178.510 176.117 -0.070 0.000 1.106 342 I CA 1.170 62.455 61.300 -0.025 0.000 1.411 342 I CB -1.099 36.884 38.000 -0.029 0.000 1.082 342 I HN 0.213 nan 8.210 nan 0.000 0.420 343 Y N 2.336 122.478 120.300 -0.263 0.000 2.181 343 Y HA -0.200 4.349 4.550 -0.002 0.000 0.288 343 Y C 2.612 178.418 175.900 -0.157 0.000 1.146 343 Y CA 1.822 59.684 58.100 -0.397 0.000 1.164 343 Y CB -0.224 37.621 38.460 -1.024 0.000 0.982 343 Y HN 0.115 nan 8.280 nan 0.000 0.515 344 A N 0.130 122.932 122.820 -0.030 0.000 2.070 344 A HA -0.248 4.070 4.320 -0.002 0.000 0.220 344 A C 1.972 179.489 177.584 -0.110 0.000 1.159 344 A CA 1.669 53.686 52.037 -0.034 0.000 0.656 344 A CB -1.066 17.960 19.000 0.043 0.000 0.800 344 A HN 0.645 nan 8.150 nan 0.000 0.453 345 N N -0.238 118.392 118.700 -0.116 0.000 2.334 345 N HA -0.156 4.582 4.740 -0.002 0.000 0.187 345 N C 0.348 175.752 175.510 -0.177 0.000 1.016 345 N CA 1.693 54.673 53.050 -0.116 0.000 0.879 345 N CB -0.156 38.278 38.487 -0.089 0.000 0.965 345 N HN 0.769 nan 8.380 nan 0.000 0.438 346 K N -2.284 117.933 120.400 -0.304 0.000 2.587 346 K HA 0.427 4.745 4.320 -0.002 0.000 0.276 346 K C -3.183 173.036 176.600 -0.635 0.000 0.956 346 K CA -1.628 54.428 56.287 -0.385 0.000 0.857 346 K CB 1.322 33.614 32.500 -0.347 0.000 1.431 346 K HN -0.322 nan 8.250 nan 0.000 0.420 347 P HA 0.054 nan 4.420 nan 0.000 0.266 347 P C -1.139 175.807 177.300 -0.590 0.000 1.195 347 P CA 0.136 62.996 63.100 -0.401 0.000 0.768 347 P CB 0.273 31.847 31.700 -0.209 0.000 0.838 348 H N -0.311 118.649 119.070 -0.182 0.000 2.637 348 H HA 0.353 4.908 4.556 -0.002 0.000 0.363 348 H C -0.214 175.122 175.328 0.013 0.000 1.131 348 H CA -0.538 55.427 56.048 -0.138 0.000 1.183 348 H CB 2.127 31.746 29.762 -0.238 0.000 1.637 348 H HN 0.280 nan 8.280 nan 0.000 0.531 349 S N 1.762 117.542 115.700 0.133 0.000 2.585 349 S HA 0.083 4.552 4.470 -0.002 0.000 0.277 349 S C 1.409 176.047 174.600 0.063 0.000 1.241 349 S CA -0.637 57.634 58.200 0.119 0.000 1.041 349 S CB 0.371 63.559 63.200 -0.021 0.000 0.987 349 S HN 0.598 nan 8.310 nan 0.000 0.512 350 Y N 3.683 124.120 120.300 0.229 0.000 2.193 350 Y HA -0.143 4.406 4.550 -0.002 0.000 0.285 350 Y C 2.204 178.083 175.900 -0.035 0.000 1.166 350 Y CA 1.782 59.931 58.100 0.082 0.000 1.181 350 Y CB -0.497 38.111 38.460 0.247 0.000 0.976 350 Y HN 0.737 nan 8.280 nan 0.000 0.520 351 R N 1.903 121.638 120.500 -1.276 0.000 2.200 351 R HA -0.176 4.162 4.340 -0.002 0.000 0.234 351 R C 1.182 177.261 176.300 -0.369 0.000 1.127 351 R CA 1.718 57.308 56.100 -0.850 0.000 0.989 351 R CB -0.323 29.520 30.300 -0.762 0.000 0.869 351 R HN 0.819 nan 8.270 nan 0.000 0.459 352 E N -0.160 119.879 120.200 -0.269 0.000 2.499 352 E HA 0.012 4.361 4.350 -0.002 0.000 0.199 352 E C 1.323 177.818 176.600 -0.175 0.000 1.016 352 E CA -0.288 56.006 56.400 -0.177 0.000 0.933 352 E CB 0.299 29.929 29.700 -0.116 0.000 1.050 352 E HN 0.236 nan 8.360 nan 0.000 0.462 353 L N 0.833 121.939 121.223 -0.196 0.000 2.275 353 L HA 0.096 4.435 4.340 -0.002 0.000 0.215 353 L C -1.381 175.393 176.870 -0.161 0.000 1.119 353 L CA 0.661 55.386 54.840 -0.191 0.000 0.790 353 L CB -0.978 40.898 42.059 -0.304 0.000 0.919 353 L HN 0.090 nan 8.230 nan 0.000 0.443 354 P HA 0.145 nan 4.420 nan 0.000 0.274 354 P C -0.585 176.624 177.300 -0.152 0.000 1.291 354 P CA 0.569 63.579 63.100 -0.150 0.000 0.815 354 P CB 0.402 32.010 31.700 -0.155 0.000 0.897 355 I N 4.956 125.467 120.570 -0.099 0.000 2.355 355 I HA 0.295 4.464 4.170 -0.002 0.000 0.288 355 I C 0.600 176.710 176.117 -0.011 0.000 0.999 355 I CA -0.604 60.640 61.300 -0.094 0.000 1.163 355 I CB 1.183 39.100 38.000 -0.139 0.000 1.316 355 I HN 0.050 nan 8.210 nan 0.000 0.454 356 R N 7.149 127.559 120.500 -0.150 0.000 2.233 356 R HA 0.479 4.817 4.340 -0.002 0.000 0.334 356 R C -0.908 175.344 176.300 -0.080 0.000 1.037 356 R CA -0.807 55.169 56.100 -0.207 0.000 0.920 356 R CB 1.021 30.911 30.300 -0.684 0.000 1.137 356 R HN 0.399 nan 8.270 nan 0.000 0.492 357 I N 2.811 123.390 120.570 0.014 0.000 2.325 357 I HA 0.326 4.494 4.170 -0.002 0.000 0.291 357 I C 0.568 176.569 176.117 -0.194 0.000 1.019 357 I CA -0.489 60.739 61.300 -0.121 0.000 1.302 357 I CB 0.868 38.797 38.000 -0.119 0.000 1.401 357 I HN 0.620 nan 8.210 nan 0.000 0.485 358 A N 6.053 128.674 122.820 -0.332 0.000 2.354 358 A HA 0.889 5.207 4.320 -0.002 0.000 0.321 358 A C -0.475 176.871 177.584 -0.397 0.000 1.125 358 A CA -0.451 51.330 52.037 -0.426 0.000 0.799 358 A CB 2.300 20.794 19.000 -0.842 0.000 1.293 358 A HN 0.741 nan 8.150 nan 0.000 0.452 359 E N 0.408 120.577 120.200 -0.051 0.000 2.401 359 E HA 0.271 4.619 4.350 -0.002 0.000 0.283 359 E C -1.978 174.701 176.600 0.132 0.000 1.053 359 E CA -0.703 55.775 56.400 0.130 0.000 0.842 359 E CB 1.016 30.860 29.700 0.240 0.000 1.222 359 E HN 0.420 nan 8.360 nan 0.000 0.429 360 L N 3.407 124.668 121.223 0.063 0.000 2.466 360 L HA 0.410 4.749 4.340 -0.002 0.000 0.248 360 L C 0.354 177.232 176.870 0.013 0.000 1.240 360 L CA 0.445 55.290 54.840 0.009 0.000 1.180 360 L CB -0.169 41.861 42.059 -0.048 0.000 1.413 360 L HN 0.621 nan 8.230 nan 0.000 0.406 361 G N 1.253 110.071 108.800 0.029 0.000 2.364 361 G HA2 0.311 4.270 3.960 -0.002 0.000 0.267 361 G HA3 0.311 4.270 3.960 -0.002 0.000 0.267 361 G C 0.011 174.904 174.900 -0.013 0.000 1.233 361 G CA -0.135 44.973 45.100 0.014 0.000 0.885 361 G HN 0.408 nan 8.290 nan 0.000 0.490 362 T N 3.893 118.435 114.554 -0.020 0.000 2.806 362 T HA 0.523 4.871 4.350 -0.002 0.000 0.290 362 T C 0.561 175.209 174.700 -0.085 0.000 0.966 362 T CA -0.021 62.044 62.100 -0.058 0.000 1.060 362 T CB 0.704 69.552 68.868 -0.034 0.000 0.927 362 T HN 0.625 nan 8.240 nan 0.000 0.485 363 M N 1.919 121.415 119.600 -0.174 0.000 2.631 363 M HA 0.660 5.139 4.480 -0.002 0.000 0.288 363 M C -1.626 174.429 176.300 -0.408 0.000 1.260 363 M CA -1.094 54.117 55.300 -0.148 0.000 0.842 363 M CB 2.057 34.647 32.600 -0.016 0.000 1.743 363 M HN 0.432 nan 8.290 nan 0.000 0.461 364 H N 0.051 119.084 119.070 -0.062 0.000 2.538 364 H HA 0.688 5.242 4.556 -0.002 0.000 0.353 364 H C -1.246 174.124 175.328 0.071 0.000 1.109 364 H CA -0.669 55.295 56.048 -0.139 0.000 1.192 364 H CB 1.943 31.336 29.762 -0.614 0.000 1.555 364 H HN 0.512 nan 8.280 nan 0.000 0.518 365 R N 2.052 122.781 120.500 0.381 0.000 2.502 365 R HA 0.108 4.446 4.340 -0.002 0.000 0.300 365 R C -0.914 175.774 176.300 0.646 0.000 0.984 365 R CA -0.672 55.714 56.100 0.477 0.000 0.882 365 R CB 1.643 32.130 30.300 0.313 0.000 1.180 365 R HN 0.757 nan 8.270 nan 0.000 0.444 366 Y N 3.913 124.461 120.300 0.413 0.000 3.168 366 Y HA -0.059 4.490 4.550 -0.002 0.000 0.373 366 Y C 0.123 176.001 175.900 -0.035 0.000 1.073 366 Y CA -0.365 57.719 58.100 -0.026 0.000 2.070 366 Y CB 0.174 38.511 38.460 -0.205 0.000 2.252 366 Y HN 0.408 nan 8.280 nan 0.000 0.404 367 E N 1.358 121.706 120.200 0.248 0.000 2.436 367 E HA 0.038 4.386 4.350 -0.002 0.000 0.262 367 E C -0.045 176.563 176.600 0.013 0.000 1.063 367 E CA 0.015 56.468 56.400 0.087 0.000 0.944 367 E CB 0.764 30.528 29.700 0.107 0.000 0.950 367 E HN 0.541 nan 8.360 nan 0.000 0.444 368 A N 2.197 124.965 122.820 -0.088 0.000 2.409 368 A HA 0.130 4.449 4.320 -0.002 0.000 0.267 368 A C 1.370 178.926 177.584 -0.047 0.000 1.127 368 A CA -0.180 51.770 52.037 -0.146 0.000 0.795 368 A CB 0.221 19.072 19.000 -0.249 0.000 1.061 368 A HN 0.580 nan 8.150 nan 0.000 0.502 369 S N 2.698 118.384 115.700 -0.023 0.000 2.421 369 S HA -0.261 4.208 4.470 -0.002 0.000 0.239 369 S C 2.021 176.647 174.600 0.045 0.000 1.054 369 S CA 2.093 60.309 58.200 0.026 0.000 1.035 369 S CB -0.376 62.838 63.200 0.024 0.000 0.840 369 S HN 1.091 nan 8.310 nan 0.000 0.475 370 G N 0.730 109.557 108.800 0.045 0.000 2.432 370 G HA2 0.033 3.991 3.960 -0.002 0.000 0.219 370 G HA3 0.033 3.991 3.960 -0.002 0.000 0.219 370 G C 1.447 176.425 174.900 0.130 0.000 1.135 370 G CA 0.841 46.020 45.100 0.132 0.000 0.767 370 G HN 0.637 nan 8.290 nan 0.000 0.550 371 A N -0.024 122.854 122.820 0.095 0.000 1.935 371 A HA 0.388 4.707 4.320 -0.002 0.000 0.214 371 A C 1.273 178.897 177.584 0.067 0.000 1.178 371 A CA 0.070 52.158 52.037 0.084 0.000 0.640 371 A CB -0.282 18.757 19.000 0.065 0.000 0.825 371 A HN 0.183 nan 8.150 nan 0.000 0.447 372 V N 2.250 122.203 119.914 0.065 0.000 2.644 372 V HA 0.206 4.324 4.120 -0.002 0.000 0.303 372 V C 0.389 176.520 176.094 0.061 0.000 1.058 372 V CA 1.136 63.475 62.300 0.065 0.000 1.228 372 V CB -0.455 31.411 31.823 0.072 0.000 0.861 372 V HN 0.748 nan 8.190 nan 0.000 0.484 373 S N 3.604 119.340 115.700 0.060 0.000 2.563 373 S HA 0.689 5.157 4.470 -0.002 0.000 0.279 373 S C 0.107 174.761 174.600 0.089 0.000 1.155 373 S CA 0.018 58.258 58.200 0.066 0.000 0.928 373 S CB 1.476 64.713 63.200 0.062 0.000 1.107 373 S HN 1.909 nan 8.310 nan 0.000 0.462 374 G N 2.387 111.246 108.800 0.099 0.000 2.684 374 G HA2 -0.286 3.673 3.960 -0.002 0.000 0.332 374 G HA3 -0.286 3.673 3.960 -0.002 0.000 0.332 374 G C 0.482 175.316 174.900 -0.110 0.000 1.306 374 G CA 0.796 45.977 45.100 0.136 0.000 1.002 374 G HN 1.380 nan 8.290 nan 0.000 0.545 375 L N 0.481 121.597 121.223 -0.178 0.000 2.693 375 L HA 0.216 4.554 4.340 -0.002 0.000 0.235 375 L C 2.574 179.282 176.870 -0.270 0.000 1.127 375 L CA 0.219 54.793 54.840 -0.443 0.000 0.914 375 L CB 0.273 41.887 42.059 -0.743 0.000 1.193 375 L HN 0.464 nan 8.230 nan 0.000 0.502 376 Q N 1.785 121.476 119.800 -0.181 0.000 2.079 376 Q HA -0.067 4.271 4.340 -0.002 0.000 0.200 376 Q C 0.752 176.719 176.000 -0.056 0.000 0.974 376 Q CA 1.317 57.033 55.803 -0.145 0.000 0.840 376 Q CB 0.350 29.094 28.738 0.010 0.000 0.898 376 Q HN 0.340 nan 8.270 nan 0.000 0.430 377 R N -0.257 120.236 120.500 -0.013 0.000 2.631 377 R HA 0.374 4.713 4.340 -0.002 0.000 0.289 377 R C -1.210 175.110 176.300 0.034 0.000 1.303 377 R CA -0.291 55.819 56.100 0.017 0.000 0.989 377 R CB 0.906 31.225 30.300 0.033 0.000 1.208 377 R HN -0.011 nan 8.270 nan 0.000 0.461 378 V N 0.824 120.763 119.914 0.041 0.000 3.181 378 V HA 0.610 4.728 4.120 -0.002 0.000 0.314 378 V C 0.575 176.745 176.094 0.127 0.000 1.173 378 V CA -0.881 61.461 62.300 0.069 0.000 1.052 378 V CB 2.283 34.127 31.823 0.035 0.000 1.123 378 V HN 0.733 nan 8.190 nan 0.000 0.454 379 R N 0.933 121.543 120.500 0.183 0.000 2.128 379 R HA 0.314 4.652 4.340 -0.002 0.000 0.211 379 R C 1.011 177.457 176.300 0.243 0.000 1.067 379 R CA 0.839 57.128 56.100 0.315 0.000 1.010 379 R CB 0.141 30.711 30.300 0.450 0.000 0.922 379 R HN 0.884 nan 8.270 nan 0.000 0.457 380 G N 1.895 110.785 108.800 0.151 0.000 2.372 380 G HA2 0.570 4.529 3.960 -0.002 0.000 0.323 380 G HA3 0.570 4.529 3.960 -0.002 0.000 0.323 380 G C -0.321 174.510 174.900 -0.115 0.000 1.152 380 G CA -0.474 44.559 45.100 -0.112 0.000 0.906 380 G HN 0.035 nan 8.290 nan 0.000 0.460 381 M N 0.281 119.742 119.600 -0.231 0.000 2.721 381 M HA 0.660 5.139 4.480 -0.002 0.000 0.271 381 M C -1.583 174.675 176.300 -0.069 0.000 1.259 381 M CA -0.774 54.491 55.300 -0.059 0.000 0.835 381 M CB 2.072 34.667 32.600 -0.008 0.000 1.689 381 M HN 0.228 nan 8.290 nan 0.000 0.470 382 T N 2.647 117.202 114.554 0.001 0.000 2.833 382 T HA 0.570 4.919 4.350 -0.002 0.000 0.297 382 T C -0.994 173.705 174.700 -0.002 0.000 1.015 382 T CA -0.476 61.614 62.100 -0.017 0.000 0.963 382 T CB 1.040 69.887 68.868 -0.034 0.000 0.955 382 T HN 0.553 nan 8.240 nan 0.000 0.449 383 L N 3.893 125.114 121.223 -0.003 0.000 2.350 383 L HA 0.542 4.881 4.340 -0.002 0.000 0.275 383 L C 0.407 177.273 176.870 -0.007 0.000 1.099 383 L CA -0.476 54.366 54.840 0.004 0.000 0.808 383 L CB 0.949 43.017 42.059 0.015 0.000 1.149 383 L HN 0.527 nan 8.230 nan 0.000 0.442 384 N N 2.813 121.498 118.700 -0.025 0.000 2.739 384 N HA 0.096 4.835 4.740 -0.002 0.000 0.266 384 N C -1.078 174.410 175.510 -0.038 0.000 1.168 384 N CA -0.106 52.918 53.050 -0.043 0.000 1.055 384 N CB -0.163 38.270 38.487 -0.090 0.000 1.393 384 N HN 0.556 nan 8.380 nan 0.000 0.514 385 D N 0.653 121.052 120.400 -0.002 0.000 2.217 385 D HA 0.532 5.171 4.640 -0.002 0.000 0.248 385 D C -1.255 175.059 176.300 0.023 0.000 1.008 385 D CA -0.301 53.698 54.000 -0.001 0.000 0.914 385 D CB 1.558 42.383 40.800 0.042 0.000 1.182 385 D HN 0.348 nan 8.370 nan 0.000 0.451 386 S N 1.052 116.717 115.700 -0.059 0.000 2.542 386 S HA 0.381 4.850 4.470 -0.002 0.000 0.276 386 S C -1.959 172.497 174.600 -0.239 0.000 1.148 386 S CA -0.623 57.582 58.200 0.009 0.000 0.886 386 S CB 0.445 63.701 63.200 0.093 0.000 1.109 386 S HN 0.460 nan 8.310 nan 0.000 0.458 387 H N 2.727 121.789 119.070 -0.013 0.000 2.708 387 H HA 0.541 5.096 4.556 -0.002 0.000 0.320 387 H C -0.525 174.556 175.328 -0.412 0.000 0.991 387 H CA -0.292 55.561 56.048 -0.325 0.000 1.243 387 H CB 0.944 30.489 29.762 -0.362 0.000 1.446 387 H HN 0.472 nan 8.280 nan 0.000 0.502 388 I N 3.980 124.302 120.570 -0.414 0.000 2.353 388 I HA 0.218 4.386 4.170 -0.002 0.000 0.293 388 I C -0.650 175.134 176.117 -0.555 0.000 0.992 388 I CA -0.570 60.530 61.300 -0.334 0.000 1.268 388 I CB 0.697 38.537 38.000 -0.266 0.000 1.387 388 I HN 0.351 nan 8.210 nan 0.000 0.478 389 F N 6.179 125.966 119.950 -0.272 0.000 2.427 389 F HA 0.580 5.106 4.527 -0.002 0.000 0.346 389 F C 0.243 175.880 175.800 -0.272 0.000 1.120 389 F CA -0.886 56.910 58.000 -0.339 0.000 1.033 389 F CB 1.471 40.136 39.000 -0.559 0.000 1.126 389 F HN 0.144 nan 8.300 nan 0.000 0.462 390 V N 0.576 120.421 119.914 -0.114 0.000 3.074 390 V HA 0.678 4.797 4.120 -0.002 0.000 0.314 390 V C -0.095 175.909 176.094 -0.150 0.000 1.117 390 V CA -1.499 60.719 62.300 -0.138 0.000 1.014 390 V CB 1.830 33.568 31.823 -0.142 0.000 1.057 390 V HN 0.720 nan 8.190 nan 0.000 0.438 391 R N 1.781 122.145 120.500 -0.226 0.000 2.726 391 R HA 0.294 4.633 4.340 -0.002 0.000 0.272 391 R C -1.851 174.424 176.300 -0.041 0.000 1.097 391 R CA -1.105 54.855 56.100 -0.233 0.000 1.198 391 R CB 0.191 30.330 30.300 -0.267 0.000 1.114 391 R HN 0.527 nan 8.270 nan 0.000 0.550 392 P HA -0.135 nan 4.420 nan 0.000 0.221 392 P C 0.397 177.724 177.300 0.044 0.000 1.150 392 P CA 1.219 64.367 63.100 0.080 0.000 0.800 392 P CB 0.083 31.868 31.700 0.142 0.000 0.787 393 D N -0.721 119.691 120.400 0.018 0.000 2.363 393 D HA -0.134 4.504 4.640 -0.002 0.000 0.220 393 D C 1.148 177.444 176.300 -0.006 0.000 0.994 393 D CA 0.735 54.740 54.000 0.009 0.000 0.890 393 D CB -0.227 40.575 40.800 0.004 0.000 0.906 393 D HN 0.308 nan 8.370 nan 0.000 0.530 394 Q N 0.073 119.858 119.800 -0.026 0.000 2.319 394 Q HA 0.205 4.543 4.340 -0.002 0.000 0.209 394 Q C 2.262 178.243 176.000 -0.031 0.000 0.884 394 Q CA -0.238 55.543 55.803 -0.037 0.000 0.938 394 Q CB 0.496 29.194 28.738 -0.067 0.000 1.098 394 Q HN 0.296 nan 8.270 nan 0.000 0.517 395 I N 1.313 121.866 120.570 -0.028 0.000 2.087 395 I HA -0.382 3.786 4.170 -0.002 0.000 0.240 395 I C 2.208 178.338 176.117 0.022 0.000 1.054 395 I CA 1.644 62.929 61.300 -0.026 0.000 1.311 395 I CB -0.355 37.623 38.000 -0.037 0.000 1.024 395 I HN 0.142 nan 8.210 nan 0.000 0.402 396 K N 0.294 120.703 120.400 0.014 0.000 2.025 396 K HA -0.209 4.110 4.320 -0.002 0.000 0.207 396 K C 2.183 178.823 176.600 0.067 0.000 1.049 396 K CA 1.415 57.722 56.287 0.033 0.000 0.933 396 K CB -0.248 32.252 32.500 0.001 0.000 0.714 396 K HN 0.349 nan 8.250 nan 0.000 0.438 397 E N 1.055 121.273 120.200 0.030 0.000 2.118 397 E HA -0.263 4.086 4.350 -0.002 0.000 0.195 397 E C 1.885 178.495 176.600 0.016 0.000 0.992 397 E CA 1.439 57.850 56.400 0.018 0.000 0.804 397 E CB 0.165 29.864 29.700 -0.001 0.000 0.741 397 E HN 0.157 nan 8.360 nan 0.000 0.458 398 E N -0.112 120.095 120.200 0.012 0.000 2.076 398 E HA -0.134 4.214 4.350 -0.002 0.000 0.190 398 E C 1.739 178.342 176.600 0.005 0.000 0.979 398 E CA 0.815 57.204 56.400 -0.018 0.000 0.807 398 E CB -0.534 29.133 29.700 -0.055 0.000 0.761 398 E HN 0.297 nan 8.360 nan 0.000 0.454 399 F N 1.268 121.168 119.950 -0.083 0.000 2.126 399 F HA -0.156 4.370 4.527 -0.002 0.000 0.299 399 F C 1.836 177.595 175.800 -0.068 0.000 1.096 399 F CA 1.709 59.661 58.000 -0.080 0.000 1.255 399 F CB 0.059 39.010 39.000 -0.081 0.000 0.997 399 F HN -0.035 nan 8.300 nan 0.000 0.479 400 K N -0.377 120.098 120.400 0.125 0.000 2.097 400 K HA -0.113 4.205 4.320 -0.002 0.000 0.205 400 K C 2.178 178.761 176.600 -0.029 0.000 1.050 400 K CA 1.136 57.451 56.287 0.046 0.000 0.938 400 K CB -0.192 32.344 32.500 0.059 0.000 0.718 400 K HN 0.187 nan 8.250 nan 0.000 0.442 401 R N 0.440 120.920 120.500 -0.034 0.000 2.096 401 R HA -0.107 4.231 4.340 -0.002 0.000 0.235 401 R C 2.401 178.663 176.300 -0.064 0.000 1.127 401 R CA 1.271 57.347 56.100 -0.040 0.000 0.968 401 R CB -0.444 29.832 30.300 -0.040 0.000 0.861 401 R HN 0.132 nan 8.270 nan 0.000 0.440 402 V N 0.448 120.282 119.914 -0.132 0.000 2.323 402 V HA -0.165 3.954 4.120 -0.002 0.000 0.244 402 V C 2.123 178.107 176.094 -0.183 0.000 1.041 402 V CA 1.580 63.782 62.300 -0.162 0.000 1.025 402 V CB -0.081 31.584 31.823 -0.264 0.000 0.656 402 V HN 0.070 nan 8.190 nan 0.000 0.451 403 V N 1.127 120.889 119.914 -0.253 0.000 2.287 403 V HA -0.276 3.843 4.120 -0.002 0.000 0.248 403 V C 2.393 178.451 176.094 -0.060 0.000 1.053 403 V CA 2.768 64.963 62.300 -0.175 0.000 1.027 403 V CB -1.323 30.396 31.823 -0.173 0.000 0.646 403 V HN 0.610 nan 8.190 nan 0.000 0.447 404 N N -0.747 117.931 118.700 -0.037 0.000 2.381 404 N HA -0.113 4.626 4.740 -0.002 0.000 0.182 404 N C 1.639 177.159 175.510 0.016 0.000 1.025 404 N CA 1.104 54.162 53.050 0.013 0.000 0.888 404 N CB -0.243 38.256 38.487 0.019 0.000 0.965 404 N HN 0.500 nan 8.380 nan 0.000 0.438 405 M N -0.144 119.451 119.600 -0.009 0.000 2.098 405 M HA -0.041 4.437 4.480 -0.002 0.000 0.262 405 M C 1.586 177.893 176.300 0.011 0.000 1.072 405 M CA 1.306 56.610 55.300 0.006 0.000 1.133 405 M CB -0.042 32.555 32.600 -0.006 0.000 1.344 405 M HN 0.076 nan 8.290 nan 0.000 0.414 406 I N 0.529 121.070 120.570 -0.049 0.000 2.208 406 I HA -0.355 3.813 4.170 -0.002 0.000 0.245 406 I C 2.283 178.261 176.117 -0.232 0.000 1.097 406 I CA 1.427 62.647 61.300 -0.134 0.000 1.363 406 I CB -0.474 37.385 38.000 -0.234 0.000 1.051 406 I HN 0.353 nan 8.210 nan 0.000 0.413 407 I N 0.702 121.203 120.570 -0.115 0.000 2.127 407 I HA -0.331 3.837 4.170 -0.002 0.000 0.241 407 I C 2.127 178.319 176.117 0.124 0.000 1.075 407 I CA 1.597 62.889 61.300 -0.013 0.000 1.334 407 I CB -0.437 37.658 38.000 0.160 0.000 1.040 407 I HN 0.231 nan 8.210 nan 0.000 0.405 408 D N 0.212 120.688 120.400 0.126 0.000 2.178 408 D HA -0.135 4.504 4.640 -0.002 0.000 0.201 408 D C 2.301 178.745 176.300 0.240 0.000 0.980 408 D CA 1.055 55.150 54.000 0.159 0.000 0.842 408 D CB -0.280 40.583 40.800 0.105 0.000 0.948 408 D HN 0.163 nan 8.370 nan 0.000 0.472 409 V N 0.651 120.746 119.914 0.302 0.000 2.515 409 V HA -0.235 3.884 4.120 -0.002 0.000 0.250 409 V C 1.972 178.451 176.094 0.642 0.000 1.058 409 V CA 1.137 63.734 62.300 0.495 0.000 1.064 409 V CB -0.548 31.591 31.823 0.527 0.000 0.675 409 V HN 0.147 nan 8.190 nan 0.000 0.461 410 Y N 0.587 121.042 120.300 0.257 0.000 2.242 410 Y HA -0.142 4.407 4.550 -0.002 0.000 0.291 410 Y C 2.428 178.429 175.900 0.169 0.000 1.137 410 Y CA 1.136 59.364 58.100 0.214 0.000 1.181 410 Y CB -0.542 37.958 38.460 0.067 0.000 0.989 410 Y HN 0.201 nan 8.280 nan 0.000 0.527 411 K N 0.208 120.814 120.400 0.343 0.000 1.991 411 K HA -0.203 4.116 4.320 -0.002 0.000 0.212 411 K C 1.712 178.420 176.600 0.180 0.000 1.049 411 K CA 1.841 58.276 56.287 0.246 0.000 0.932 411 K CB -0.230 32.384 32.500 0.191 0.000 0.717 411 K HN 0.107 nan 8.250 nan 0.000 0.441 412 D N -0.151 120.326 120.400 0.129 0.000 2.200 412 D HA -0.206 4.433 4.640 -0.002 0.000 0.192 412 D C 1.265 177.498 176.300 -0.111 0.000 1.008 412 D CA 1.448 55.423 54.000 -0.041 0.000 0.872 412 D CB -0.147 40.615 40.800 -0.063 0.000 0.923 412 D HN 0.222 nan 8.370 nan 0.000 0.447 413 F N -1.174 118.737 119.950 -0.065 0.000 2.693 413 F HA 0.297 4.823 4.527 -0.002 0.000 0.303 413 F C 1.875 177.371 175.800 -0.506 0.000 1.097 413 F CA 0.306 58.111 58.000 -0.326 0.000 1.330 413 F CB 0.559 38.984 39.000 -0.957 0.000 1.067 413 F HN 0.017 nan 8.300 nan 0.000 0.565 414 G N 0.043 108.826 108.800 -0.028 0.000 2.155 414 G HA2 -0.321 3.637 3.960 -0.002 0.000 0.257 414 G HA3 -0.321 3.637 3.960 -0.002 0.000 0.257 414 G C 0.096 175.057 174.900 0.103 0.000 0.983 414 G CA -0.373 44.715 45.100 -0.020 0.000 0.676 414 G HN 0.121 nan 8.290 nan 0.000 0.528 415 F N 1.193 121.233 119.950 0.150 0.000 2.502 415 F HA 0.454 4.979 4.527 -0.002 0.000 0.371 415 F C 1.371 177.380 175.800 0.347 0.000 1.083 415 F CA -0.574 57.517 58.000 0.151 0.000 1.174 415 F CB 0.632 39.628 39.000 -0.007 0.000 1.096 415 F HN 0.245 nan 8.300 nan 0.000 0.545 416 E N 0.522 121.005 120.200 0.472 0.000 2.572 416 E HA 0.071 4.419 4.350 -0.002 0.000 0.220 416 E C -0.649 176.081 176.600 0.217 0.000 0.945 416 E CA 0.041 56.658 56.400 0.363 0.000 1.070 416 E CB 0.617 30.445 29.700 0.212 0.000 1.090 416 E HN 0.511 nan 8.360 nan 0.000 0.506 417 D N 1.373 121.938 120.400 0.275 0.000 2.477 417 D HA 0.205 4.844 4.640 -0.002 0.000 0.239 417 D C -0.719 175.724 176.300 0.238 0.000 1.102 417 D CA -0.158 53.927 54.000 0.142 0.000 0.901 417 D CB 0.447 41.317 40.800 0.116 0.000 1.026 417 D HN 0.111 nan 8.370 nan 0.000 0.515 418 Y N -1.220 119.104 120.300 0.041 0.000 2.609 418 Y HA 0.618 5.167 4.550 -0.002 0.000 0.336 418 Y C -0.912 174.904 175.900 -0.139 0.000 1.129 418 Y CA -1.224 56.854 58.100 -0.037 0.000 1.040 418 Y CB 1.188 39.682 38.460 0.057 0.000 1.310 418 Y HN 0.097 nan 8.280 nan 0.000 0.460 419 S N 0.943 116.628 115.700 -0.025 0.000 2.564 419 S HA 0.747 5.215 4.470 -0.002 0.000 0.274 419 S C -1.517 173.025 174.600 -0.097 0.000 1.124 419 S CA -0.838 57.289 58.200 -0.122 0.000 0.869 419 S CB 1.346 64.532 63.200 -0.024 0.000 1.105 419 S HN 0.602 nan 8.310 nan 0.000 0.472 420 F N 1.085 121.127 119.950 0.153 0.000 2.378 420 F HA 0.680 5.206 4.527 -0.002 0.000 0.325 420 F C 1.009 176.875 175.800 0.110 0.000 1.097 420 F CA -0.755 57.325 58.000 0.134 0.000 1.079 420 F CB 1.269 40.360 39.000 0.152 0.000 1.240 420 F HN 0.621 nan 8.300 nan 0.000 0.519 421 R N 2.955 123.633 120.500 0.296 0.000 2.531 421 R HA 0.376 4.714 4.340 -0.002 0.000 0.293 421 R C -1.966 174.348 176.300 0.023 0.000 1.124 421 R CA -0.541 55.645 56.100 0.143 0.000 0.945 421 R CB 0.860 31.210 30.300 0.083 0.000 1.195 421 R HN 0.723 nan 8.270 nan 0.000 0.433 422 L N 3.784 124.963 121.223 -0.074 0.000 2.385 422 L HA 0.245 4.584 4.340 -0.002 0.000 0.281 422 L C -0.137 176.437 176.870 -0.493 0.000 1.106 422 L CA -0.063 54.587 54.840 -0.316 0.000 0.856 422 L CB 1.369 43.164 42.059 -0.439 0.000 1.186 422 L HN 0.599 nan 8.230 nan 0.000 0.453 423 S N 3.281 118.781 115.700 -0.334 0.000 2.452 423 S HA 0.490 4.958 4.470 -0.002 0.000 0.284 423 S C -0.529 173.965 174.600 -0.178 0.000 1.171 423 S CA -0.416 57.647 58.200 -0.228 0.000 1.064 423 S CB 0.488 63.655 63.200 -0.055 0.000 0.967 423 S HN 0.279 nan 8.310 nan 0.000 0.484 424 Y N 0.797 121.122 120.300 0.040 0.000 2.568 424 Y HA 0.466 5.015 4.550 -0.002 0.000 0.327 424 Y C 0.912 176.732 175.900 -0.134 0.000 1.163 424 Y CA -1.747 56.360 58.100 0.011 0.000 1.219 424 Y CB 0.672 39.125 38.460 -0.012 0.000 1.308 424 Y HN 0.460 nan 8.280 nan 0.000 0.503 425 R N 2.468 122.872 120.500 -0.160 0.000 3.674 425 R HA -0.245 4.094 4.340 -0.002 0.000 0.132 425 R C -1.271 174.672 176.300 -0.595 0.000 0.646 425 R CA 1.054 56.636 56.100 -0.864 0.000 0.807 425 R CB -0.337 29.462 30.300 -0.837 0.000 1.108 425 R HN 0.710 nan 8.270 nan 0.000 0.268 426 D N 2.778 122.776 120.400 -0.669 0.000 3.009 426 D HA 0.373 5.011 4.640 -0.002 0.000 0.318 426 D C -2.582 173.624 176.300 -0.156 0.000 1.273 426 D CA -0.839 52.999 54.000 -0.270 0.000 1.001 426 D CB 1.108 41.856 40.800 -0.086 0.000 1.411 426 D HN 0.283 nan 8.370 nan 0.000 0.577 427 P HA 0.012 nan 4.420 nan 0.000 0.269 427 P C -0.303 177.098 177.300 0.168 0.000 1.205 427 P CA 0.623 63.804 63.100 0.135 0.000 0.780 427 P CB 0.981 32.871 31.700 0.317 0.000 0.858 428 E N 0.683 120.928 120.200 0.075 0.000 2.269 428 E HA 0.528 4.877 4.350 -0.002 0.000 0.243 428 E C -1.149 175.488 176.600 0.062 0.000 1.114 428 E CA -0.276 56.228 56.400 0.172 0.000 0.896 428 E CB 0.887 30.970 29.700 0.637 0.000 1.811 428 E HN 0.390 nan 8.360 nan 0.000 0.472 429 D N -1.394 119.121 120.400 0.193 0.000 3.522 429 D HA 0.376 5.015 4.640 -0.002 0.000 0.363 429 D C -0.292 176.127 176.300 0.198 0.000 1.509 429 D CA 0.393 54.528 54.000 0.226 0.000 0.907 429 D CB 0.955 41.933 40.800 0.297 0.000 1.485 429 D HN 0.485 nan 8.370 nan 0.000 0.560 430 K N -0.868 119.651 120.400 0.199 0.000 2.665 430 K HA -0.018 4.301 4.320 -0.002 0.000 0.247 430 K C -1.622 175.072 176.600 0.157 0.000 2.873 430 K CA 0.693 57.084 56.287 0.173 0.000 1.462 430 K CB -0.450 32.151 32.500 0.168 0.000 3.100 430 K HN 0.452 nan 8.250 nan 0.000 0.307 431 E N 0.861 121.160 120.200 0.166 0.000 2.883 431 E HA 0.205 4.554 4.350 -0.002 0.000 0.355 431 E C -0.634 176.066 176.600 0.166 0.000 0.939 431 E CA -0.316 56.172 56.400 0.145 0.000 0.783 431 E CB 1.534 31.303 29.700 0.115 0.000 1.361 431 E HN 0.227 nan 8.360 nan 0.000 0.413 432 K N 0.812 121.299 120.400 0.144 0.000 2.853 432 K HA -0.285 4.033 4.320 -0.002 0.000 0.265 432 K C -1.074 175.635 176.600 0.181 0.000 1.010 432 K CA 2.004 58.373 56.287 0.137 0.000 0.791 432 K CB -1.578 30.985 32.500 0.103 0.000 1.220 432 K HN 0.707 nan 8.250 nan 0.000 0.451 433 Y N -1.172 119.192 120.300 0.106 0.000 2.631 433 Y HA 0.459 5.008 4.550 -0.002 0.000 0.328 433 Y C 0.234 176.271 175.900 0.228 0.000 1.118 433 Y CA -1.456 56.709 58.100 0.107 0.000 1.206 433 Y CB 0.805 39.322 38.460 0.095 0.000 1.337 433 Y HN -0.052 nan 8.280 nan 0.000 0.515 434 F N 2.960 121.987 119.950 -1.538 0.000 2.635 434 F HA -0.107 4.419 4.527 -0.002 0.000 0.379 434 F C 0.078 175.479 175.800 -0.665 0.000 1.094 434 F CA -0.234 57.142 58.000 -1.040 0.000 1.300 434 F CB 0.344 38.688 39.000 -1.093 0.000 1.035 434 F HN 0.559 nan 8.300 nan 0.000 0.581 435 D N 4.772 125.125 120.400 -0.078 0.000 2.363 435 D HA -0.032 4.607 4.640 -0.002 0.000 0.263 435 D C -0.164 176.189 176.300 0.089 0.000 1.258 435 D CA 0.215 54.242 54.000 0.046 0.000 0.907 435 D CB 0.069 40.948 40.800 0.132 0.000 1.107 435 D HN 0.278 nan 8.370 nan 0.000 0.495 436 D N 2.982 123.461 120.400 0.131 0.000 7.216 436 D HA -0.175 4.463 4.640 -0.002 0.000 0.166 436 D C 0.324 176.746 176.300 0.203 0.000 1.310 436 D CA 0.691 54.780 54.000 0.148 0.000 0.825 436 D CB 0.285 41.133 40.800 0.080 0.000 1.567 436 D HN 0.431 nan 8.370 nan 0.000 0.908 437 D N 1.283 121.766 120.400 0.137 0.000 2.234 437 D HA -0.115 4.523 4.640 -0.002 0.000 0.205 437 D C 1.592 177.964 176.300 0.120 0.000 0.962 437 D CA 0.621 54.692 54.000 0.118 0.000 0.855 437 D CB 0.218 41.030 40.800 0.021 0.000 0.951 437 D HN 0.447 nan 8.370 nan 0.000 0.500 438 D N -0.114 120.334 120.400 0.079 0.000 2.103 438 D HA -0.134 4.505 4.640 -0.002 0.000 0.199 438 D C 1.990 178.264 176.300 -0.044 0.000 0.978 438 D CA 0.697 54.708 54.000 0.019 0.000 0.829 438 D CB -0.062 40.744 40.800 0.010 0.000 0.981 438 D HN 0.033 nan 8.370 nan 0.000 0.464 439 M N -0.803 118.751 119.600 -0.076 0.000 2.110 439 M HA -0.218 4.261 4.480 -0.002 0.000 0.257 439 M C 1.857 178.022 176.300 -0.225 0.000 1.071 439 M CA 1.814 56.969 55.300 -0.242 0.000 1.096 439 M CB -0.567 31.893 32.600 -0.233 0.000 1.300 439 M HN 0.243 nan 8.290 nan 0.000 0.411 440 W N 0.948 122.209 121.300 -0.065 0.000 2.318 440 W HA -0.212 4.447 4.660 -0.002 0.000 0.313 440 W C 2.418 178.888 176.519 -0.081 0.000 1.221 440 W CA 1.710 59.024 57.345 -0.051 0.000 1.266 440 W CB -0.702 28.724 29.460 -0.056 0.000 1.150 440 W HN 0.414 nan 8.180 nan 0.000 0.496 441 N N 0.246 119.029 118.700 0.137 0.000 2.142 441 N HA -0.187 4.551 4.740 -0.002 0.000 0.186 441 N C 1.765 177.260 175.510 -0.026 0.000 1.023 441 N CA 1.381 54.449 53.050 0.031 0.000 0.852 441 N CB -0.333 38.154 38.487 -0.000 0.000 0.998 441 N HN 0.207 nan 8.380 nan 0.000 0.424 442 K N 1.330 121.676 120.400 -0.089 0.000 2.032 442 K HA -0.119 4.199 4.320 -0.002 0.000 0.209 442 K C 2.055 178.581 176.600 -0.124 0.000 1.048 442 K CA 1.387 57.578 56.287 -0.161 0.000 0.927 442 K CB -0.109 32.193 32.500 -0.329 0.000 0.712 442 K HN 0.042 nan 8.250 nan 0.000 0.441 443 A N 1.710 124.457 122.820 -0.120 0.000 1.841 443 A HA -0.234 4.085 4.320 -0.002 0.000 0.216 443 A C 1.931 179.556 177.584 0.067 0.000 1.199 443 A CA 2.042 54.099 52.037 0.034 0.000 0.621 443 A CB -0.747 18.249 19.000 -0.006 0.000 0.835 443 A HN 0.567 nan 8.150 nan 0.000 0.445 444 E N -0.204 120.066 120.200 0.118 0.000 2.110 444 E HA -0.199 4.149 4.350 -0.002 0.000 0.193 444 E C 1.879 178.518 176.600 0.066 0.000 0.988 444 E CA 1.184 57.683 56.400 0.164 0.000 0.804 444 E CB -0.354 29.385 29.700 0.066 0.000 0.745 444 E HN 0.595 nan 8.360 nan 0.000 0.458 445 N N 1.246 119.948 118.700 0.004 0.000 2.025 445 N HA -0.177 4.561 4.740 -0.002 0.000 0.194 445 N C 1.758 177.258 175.510 -0.017 0.000 1.044 445 N CA 1.227 54.270 53.050 -0.011 0.000 0.851 445 N CB -0.330 38.141 38.487 -0.026 0.000 1.036 445 N HN 0.092 nan 8.380 nan 0.000 0.422 446 M N 0.282 119.865 119.600 -0.029 0.000 2.082 446 M HA -0.170 4.309 4.480 -0.002 0.000 0.258 446 M C 1.967 178.176 176.300 -0.152 0.000 1.069 446 M CA 1.395 56.658 55.300 -0.061 0.000 1.102 446 M CB -0.148 32.441 32.600 -0.017 0.000 1.336 446 M HN 0.215 nan 8.290 nan 0.000 0.404 447 L N 0.034 121.154 121.223 -0.170 0.000 2.042 447 L HA -0.279 4.060 4.340 -0.002 0.000 0.210 447 L C 2.386 179.117 176.870 -0.231 0.000 1.076 447 L CA 1.855 56.507 54.840 -0.312 0.000 0.749 447 L CB -0.539 41.419 42.059 -0.168 0.000 0.893 447 L HN 0.401 nan 8.230 nan 0.000 0.432 448 K N -0.135 120.210 120.400 -0.092 0.000 2.155 448 K HA -0.162 4.157 4.320 -0.002 0.000 0.203 448 K C 1.771 178.323 176.600 -0.079 0.000 1.052 448 K CA 1.082 57.316 56.287 -0.087 0.000 0.948 448 K CB 0.092 32.630 32.500 0.064 0.000 0.728 448 K HN 0.413 nan 8.250 nan 0.000 0.448 449 E N 0.306 120.470 120.200 -0.060 0.000 2.106 449 E HA -0.173 4.175 4.350 -0.002 0.000 0.192 449 E C 2.016 178.581 176.600 -0.059 0.000 0.984 449 E CA 0.953 57.331 56.400 -0.037 0.000 0.806 449 E CB -0.105 29.577 29.700 -0.030 0.000 0.750 449 E HN 0.404 nan 8.360 nan 0.000 0.458 450 A N 2.013 124.766 122.820 -0.113 0.000 1.851 450 A HA -0.160 4.159 4.320 -0.002 0.000 0.216 450 A C 2.486 180.017 177.584 -0.088 0.000 1.195 450 A CA 1.926 53.902 52.037 -0.103 0.000 0.622 450 A CB -0.873 17.996 19.000 -0.219 0.000 0.831 450 A HN 0.291 nan 8.150 nan 0.000 0.444 451 A N 0.078 122.791 122.820 -0.178 0.000 1.873 451 A HA -0.263 4.056 4.320 -0.002 0.000 0.218 451 A C 1.816 179.337 177.584 -0.105 0.000 1.193 451 A CA 2.078 53.965 52.037 -0.249 0.000 0.629 451 A CB -0.838 17.807 19.000 -0.592 0.000 0.826 451 A HN 0.517 nan 8.150 nan 0.000 0.447 452 D N -0.300 120.076 120.400 -0.039 0.000 2.123 452 D HA -0.146 4.492 4.640 -0.002 0.000 0.196 452 D C 1.891 178.218 176.300 0.045 0.000 0.992 452 D CA 1.577 55.622 54.000 0.075 0.000 0.833 452 D CB -0.481 40.380 40.800 0.101 0.000 0.954 452 D HN 0.703 nan 8.370 nan 0.000 0.455 453 E N -0.002 120.207 120.200 0.015 0.000 2.153 453 E HA -0.141 4.207 4.350 -0.002 0.000 0.194 453 E C 1.802 178.415 176.600 0.023 0.000 0.988 453 E CA 0.299 56.710 56.400 0.019 0.000 0.811 453 E CB 0.046 29.751 29.700 0.010 0.000 0.746 453 E HN 0.109 nan 8.360 nan 0.000 0.466 454 L N -0.228 121.003 121.223 0.014 0.000 2.492 454 L HA 0.169 4.508 4.340 -0.002 0.000 0.223 454 L C 0.726 177.618 176.870 0.036 0.000 1.132 454 L CA 1.068 55.918 54.840 0.016 0.000 0.850 454 L CB -0.026 42.027 42.059 -0.010 0.000 0.966 454 L HN 0.181 nan 8.230 nan 0.000 0.454 455 G N 0.678 109.510 108.800 0.052 0.000 2.689 455 G HA2 -0.171 3.787 3.960 -0.002 0.000 0.273 455 G HA3 -0.171 3.787 3.960 -0.002 0.000 0.273 455 G C -0.862 174.101 174.900 0.105 0.000 1.062 455 G CA -0.023 45.125 45.100 0.081 0.000 1.279 455 G HN 0.099 nan 8.290 nan 0.000 0.547 456 L N 0.747 122.058 121.223 0.147 0.000 2.401 456 L HA 0.722 5.060 4.340 -0.002 0.000 0.266 456 L C 0.592 177.685 176.870 0.371 0.000 0.991 456 L CA -0.660 54.300 54.840 0.199 0.000 0.818 456 L CB 2.115 44.143 42.059 -0.052 0.000 1.321 456 L HN 0.356 nan 8.230 nan 0.000 0.413 457 S N 1.940 117.830 115.700 0.318 0.000 2.601 457 S HA 0.788 5.257 4.470 -0.002 0.000 0.271 457 S C -0.995 173.833 174.600 0.380 0.000 1.305 457 S CA -0.282 58.025 58.200 0.179 0.000 1.022 457 S CB 0.801 64.067 63.200 0.110 0.000 0.940 457 S HN 0.513 nan 8.310 nan 0.000 0.525 458 Y N -1.590 118.783 120.300 0.121 0.000 2.779 458 Y HA 0.577 5.126 4.550 -0.002 0.000 0.340 458 Y C -1.460 174.486 175.900 0.078 0.000 1.252 458 Y CA -1.234 56.944 58.100 0.130 0.000 1.072 458 Y CB 0.906 39.425 38.460 0.098 0.000 1.343 458 Y HN 0.412 nan 8.280 nan 0.000 0.450 459 E N 1.816 122.175 120.200 0.264 0.000 2.235 459 E HA 0.196 4.545 4.350 -0.002 0.000 0.252 459 E C -1.203 175.493 176.600 0.161 0.000 0.886 459 E CA -0.720 55.763 56.400 0.138 0.000 0.767 459 E CB 1.995 31.746 29.700 0.086 0.000 1.205 459 E HN 0.630 nan 8.360 nan 0.000 0.421 460 E N 1.320 121.637 120.200 0.194 0.000 2.415 460 E HA 0.339 4.687 4.350 -0.002 0.000 0.262 460 E C -0.321 176.321 176.600 0.070 0.000 1.038 460 E CA 0.100 56.578 56.400 0.129 0.000 0.921 460 E CB 0.983 30.879 29.700 0.327 0.000 0.950 460 E HN 0.466 nan 8.360 nan 0.000 0.438 461 A N 2.368 125.182 122.820 -0.009 0.000 2.547 461 A HA 0.517 4.836 4.320 -0.002 0.000 0.297 461 A C -1.382 176.247 177.584 0.075 0.000 1.056 461 A CA -0.684 51.374 52.037 0.035 0.000 0.688 461 A CB 1.280 20.279 19.000 -0.001 0.000 1.282 461 A HN 0.428 nan 8.150 nan 0.000 0.400 462 I N 1.117 121.745 120.570 0.097 0.000 2.530 462 I HA 0.743 4.912 4.170 -0.002 0.000 0.297 462 I C 0.921 177.050 176.117 0.020 0.000 1.011 462 I CA 0.809 62.170 61.300 0.101 0.000 1.107 462 I CB 1.846 39.892 38.000 0.077 0.000 1.285 462 I HN 1.914 nan 8.210 nan 0.000 0.436 463 G N 5.131 113.924 108.800 -0.013 0.000 2.132 463 G HA2 -0.176 3.783 3.960 -0.002 0.000 0.228 463 G HA3 -0.176 3.783 3.960 -0.002 0.000 0.228 463 G C 0.493 175.382 174.900 -0.018 0.000 1.000 463 G CA 0.304 45.380 45.100 -0.040 0.000 0.693 463 G HN 0.601 nan 8.290 nan 0.000 0.515 464 E N -0.517 119.681 120.200 -0.003 0.000 2.332 464 E HA 0.385 4.734 4.350 -0.002 0.000 0.202 464 E C 2.034 178.643 176.600 0.015 0.000 0.877 464 E CA 0.658 57.060 56.400 0.003 0.000 0.979 464 E CB -0.246 29.450 29.700 -0.007 0.000 0.969 464 E HN 0.950 nan 8.360 nan 0.000 0.495 465 A N 1.915 124.758 122.820 0.038 0.000 2.422 465 A HA 0.292 4.611 4.320 -0.002 0.000 0.278 465 A C 0.575 178.177 177.584 0.030 0.000 1.181 465 A CA 0.749 52.839 52.037 0.088 0.000 0.866 465 A CB -0.065 19.090 19.000 0.258 0.000 1.113 465 A HN 0.182 nan 8.150 nan 0.000 0.523 466 A N -1.479 121.316 122.820 -0.041 0.000 2.311 466 A HA 0.582 4.901 4.320 -0.002 0.000 0.334 466 A C 0.607 178.016 177.584 -0.292 0.000 1.139 466 A CA 0.054 51.880 52.037 -0.351 0.000 0.830 466 A CB 0.153 18.598 19.000 -0.924 0.000 1.234 466 A HN 1.704 nan 8.150 nan 0.000 0.483 467 F N 0.638 120.373 119.950 -0.359 0.000 2.120 467 F HA -0.290 4.236 4.527 -0.002 0.000 0.300 467 F C 1.471 177.152 175.800 -0.198 0.000 1.095 467 F CA 2.019 59.883 58.000 -0.226 0.000 1.249 467 F CB -1.190 37.675 39.000 -0.225 0.000 0.995 467 F HN 0.616 nan 8.300 nan 0.000 0.480 468 Y N -0.273 119.525 120.300 -0.837 0.000 2.490 468 Y HA 0.673 5.222 4.550 -0.002 0.000 0.281 468 Y C 0.832 176.466 175.900 -0.443 0.000 1.174 468 Y CA -0.400 57.355 58.100 -0.575 0.000 1.295 468 Y CB -0.503 37.456 38.460 -0.835 0.000 1.062 468 Y HN 0.282 nan 8.280 nan 0.000 0.522 469 G N 0.230 108.837 108.800 -0.322 0.000 2.325 469 G HA2 0.284 4.242 3.960 -0.002 0.000 0.297 469 G HA3 0.284 4.242 3.960 -0.002 0.000 0.297 469 G C -3.358 171.538 174.900 -0.006 0.000 1.448 469 G CA -1.256 43.620 45.100 -0.373 0.000 0.838 469 G HN -0.144 nan 8.290 nan 0.000 0.579 470 P HA 0.416 nan 4.420 nan 0.000 0.275 470 P C -0.918 176.465 177.300 0.138 0.000 1.266 470 P CA -0.010 63.263 63.100 0.288 0.000 0.793 470 P CB 1.247 33.161 31.700 0.358 0.000 1.074 471 K N -0.302 120.159 120.400 0.103 0.000 2.509 471 K HA 0.573 4.891 4.320 -0.002 0.000 0.266 471 K C -1.081 175.569 176.600 0.082 0.000 0.987 471 K CA -0.973 55.376 56.287 0.102 0.000 0.868 471 K CB 2.071 34.611 32.500 0.066 0.000 1.421 471 K HN 0.343 nan 8.250 nan 0.000 0.444 472 L N 2.125 123.445 121.223 0.161 0.000 2.316 472 L HA 0.382 4.721 4.340 -0.002 0.000 0.280 472 L C -1.398 175.544 176.870 0.120 0.000 1.006 472 L CA -0.552 54.370 54.840 0.137 0.000 0.836 472 L CB 0.950 43.166 42.059 0.261 0.000 1.221 472 L HN 0.559 nan 8.230 nan 0.000 0.418 473 D N 3.456 123.925 120.400 0.116 0.000 2.228 473 D HA 0.420 5.058 4.640 -0.002 0.000 0.247 473 D C -0.665 175.742 176.300 0.179 0.000 0.995 473 D CA -0.138 53.928 54.000 0.111 0.000 0.903 473 D CB 2.798 43.636 40.800 0.063 0.000 1.205 473 D HN 0.173 nan 8.370 nan 0.000 0.459 474 V N 2.959 122.940 119.914 0.110 0.000 2.313 474 V HA 0.193 4.311 4.120 -0.002 0.000 0.278 474 V C 0.016 176.108 176.094 -0.003 0.000 1.017 474 V CA -0.835 61.497 62.300 0.054 0.000 0.823 474 V CB 1.078 32.880 31.823 -0.034 0.000 1.010 474 V HN 0.301 nan 8.190 nan 0.000 0.443 475 Q N 3.014 122.809 119.800 -0.008 0.000 2.230 475 Q HA 0.709 5.048 4.340 -0.002 0.000 0.248 475 Q C -0.572 175.370 176.000 -0.096 0.000 0.915 475 Q CA -0.361 55.411 55.803 -0.051 0.000 0.900 475 Q CB 2.809 31.538 28.738 -0.015 0.000 1.229 475 Q HN 0.496 nan 8.270 nan 0.000 0.439 476 V N 1.560 121.347 119.914 -0.212 0.000 3.007 476 V HA 0.349 4.468 4.120 -0.002 0.000 0.311 476 V C -0.363 175.600 176.094 -0.218 0.000 1.120 476 V CA -0.825 61.271 62.300 -0.341 0.000 0.980 476 V CB 2.763 34.000 31.823 -0.977 0.000 1.033 476 V HN 0.591 nan 8.190 nan 0.000 0.429 477 K N 1.123 121.490 120.400 -0.055 0.000 2.127 477 K HA 0.669 4.987 4.320 -0.002 0.000 0.240 477 K C -0.383 176.273 176.600 0.094 0.000 1.024 477 K CA -0.232 56.068 56.287 0.023 0.000 0.918 477 K CB 1.621 34.151 32.500 0.050 0.000 1.108 477 K HN 0.810 nan 8.250 nan 0.000 0.485 478 T N -0.448 114.137 114.554 0.052 0.000 2.865 478 T HA 0.334 4.683 4.350 -0.002 0.000 0.294 478 T C -0.251 174.459 174.700 0.017 0.000 1.119 478 T CA -0.572 61.563 62.100 0.057 0.000 1.007 478 T CB 1.636 70.518 68.868 0.024 0.000 1.225 478 T HN 0.488 nan 8.240 nan 0.000 0.515 479 A N 1.650 124.479 122.820 0.014 0.000 2.324 479 A HA 0.342 4.661 4.320 -0.002 0.000 0.240 479 A C 0.980 178.550 177.584 -0.024 0.000 1.347 479 A CA 0.185 52.214 52.037 -0.013 0.000 1.036 479 A CB -1.158 17.837 19.000 -0.009 0.000 0.917 479 A HN 0.772 nan 8.150 nan 0.000 0.519 480 M N -5.019 114.562 119.600 -0.031 0.000 4.311 480 M HA 0.374 4.853 4.480 -0.002 0.000 0.565 480 M C 0.731 176.988 176.300 -0.072 0.000 1.923 480 M CA 0.443 55.707 55.300 -0.060 0.000 0.604 480 M CB -0.305 32.261 32.600 -0.056 0.000 1.527 480 M HN 0.823 nan 8.290 nan 0.000 0.607 481 G N 1.808 110.579 108.800 -0.049 0.000 2.562 481 G HA2 -0.271 3.688 3.960 -0.002 0.000 0.241 481 G HA3 -0.271 3.688 3.960 -0.002 0.000 0.241 481 G C 0.201 175.082 174.900 -0.031 0.000 1.120 481 G CA 0.792 45.868 45.100 -0.039 0.000 0.673 481 G HN 0.479 nan 8.290 nan 0.000 0.519 482 K N 2.097 122.471 120.400 -0.043 0.000 2.550 482 K HA 0.130 4.448 4.320 -0.002 0.000 0.280 482 K C 0.527 177.109 176.600 -0.030 0.000 0.987 482 K CA 0.471 56.737 56.287 -0.034 0.000 1.048 482 K CB 0.358 32.836 32.500 -0.036 0.000 0.879 482 K HN 0.608 nan 8.250 nan 0.000 0.491 483 E N 2.740 122.924 120.200 -0.028 0.000 2.197 483 E HA 0.128 4.477 4.350 -0.002 0.000 0.281 483 E C -0.247 176.322 176.600 -0.052 0.000 0.995 483 E CA -0.373 56.002 56.400 -0.041 0.000 0.808 483 E CB 1.243 30.930 29.700 -0.022 0.000 1.093 483 E HN 0.320 nan 8.360 nan 0.000 0.394 484 E N 1.387 121.531 120.200 -0.093 0.000 2.336 484 E HA 0.315 4.664 4.350 -0.002 0.000 0.267 484 E C -0.798 175.737 176.600 -0.108 0.000 0.906 484 E CA -0.724 55.621 56.400 -0.091 0.000 0.781 484 E CB 2.067 31.700 29.700 -0.111 0.000 1.261 484 E HN 0.281 nan 8.360 nan 0.000 0.436 485 T N 1.994 116.509 114.554 -0.066 0.000 2.832 485 T HA 0.163 4.512 4.350 -0.002 0.000 0.296 485 T C 0.904 175.562 174.700 -0.071 0.000 0.968 485 T CA -0.218 61.853 62.100 -0.049 0.000 1.107 485 T CB 0.822 69.686 68.868 -0.006 0.000 0.916 485 T HN 0.244 nan 8.240 nan 0.000 0.517 486 L N 2.955 124.131 121.223 -0.077 0.000 2.435 486 L HA 0.394 4.733 4.340 -0.002 0.000 0.195 486 L C 0.682 177.591 176.870 0.066 0.000 1.072 486 L CA 1.018 55.824 54.840 -0.056 0.000 0.833 486 L CB 0.374 42.326 42.059 -0.178 0.000 1.081 486 L HN 0.528 nan 8.230 nan 0.000 0.485 487 S N -1.317 114.430 115.700 0.079 0.000 2.532 487 S HA 0.671 5.140 4.470 -0.002 0.000 0.301 487 S C -0.538 174.077 174.600 0.025 0.000 1.083 487 S CA -0.483 57.755 58.200 0.063 0.000 1.025 487 S CB 1.928 65.154 63.200 0.042 0.000 1.056 487 S HN 0.222 nan 8.310 nan 0.000 0.494 488 T N 0.560 115.115 114.554 0.002 0.000 2.993 488 T HA 0.666 5.015 4.350 -0.002 0.000 0.312 488 T C -1.799 172.876 174.700 -0.041 0.000 1.115 488 T CA -0.450 61.652 62.100 0.004 0.000 1.027 488 T CB 1.146 70.028 68.868 0.024 0.000 1.116 488 T HN 0.837 nan 8.240 nan 0.000 0.464 489 A N 4.351 127.141 122.820 -0.051 0.000 2.311 489 A HA 0.767 5.085 4.320 -0.002 0.000 0.306 489 A C -0.617 177.051 177.584 0.140 0.000 1.189 489 A CA -0.685 51.264 52.037 -0.146 0.000 0.791 489 A CB 1.053 19.675 19.000 -0.629 0.000 1.172 489 A HN 0.796 nan 8.150 nan 0.000 0.481 490 Q N 1.882 121.785 119.800 0.172 0.000 2.353 490 Q HA 0.618 4.956 4.340 -0.002 0.000 0.268 490 Q C -1.324 174.814 176.000 0.230 0.000 1.045 490 Q CA -0.638 55.300 55.803 0.225 0.000 0.811 490 Q CB 2.649 31.467 28.738 0.134 0.000 1.305 490 Q HN 0.686 nan 8.270 nan 0.000 0.447 491 L N 2.100 123.414 121.223 0.151 0.000 2.265 491 L HA 0.339 4.677 4.340 -0.002 0.000 0.288 491 L C -0.662 176.182 176.870 -0.044 0.000 1.058 491 L CA -0.256 54.580 54.840 -0.008 0.000 0.809 491 L CB 0.874 42.893 42.059 -0.067 0.000 1.179 491 L HN 0.592 nan 8.230 nan 0.000 0.429 492 D N 2.452 122.753 120.400 -0.165 0.000 2.505 492 D HA 0.260 4.899 4.640 -0.002 0.000 0.250 492 D C -0.101 176.051 176.300 -0.246 0.000 1.164 492 D CA -0.234 53.692 54.000 -0.122 0.000 0.870 492 D CB 0.965 41.722 40.800 -0.070 0.000 1.160 492 D HN 0.228 nan 8.370 nan 0.000 0.549 493 F N 2.360 122.259 119.950 -0.084 0.000 2.720 493 F HA 0.150 4.675 4.527 -0.002 0.000 0.301 493 F C 1.605 177.397 175.800 -0.013 0.000 1.103 493 F CA -0.316 57.651 58.000 -0.054 0.000 1.291 493 F CB 0.299 39.251 39.000 -0.081 0.000 1.086 493 F HN 0.333 nan 8.300 nan 0.000 0.592 494 L N 0.066 121.386 121.223 0.161 0.000 1.971 494 L HA -0.072 4.266 4.340 -0.002 0.000 0.208 494 L C 2.062 179.052 176.870 0.200 0.000 1.083 494 L CA 1.793 56.734 54.840 0.168 0.000 0.753 494 L CB -1.087 41.080 42.059 0.181 0.000 0.893 494 L HN 0.004 nan 8.230 nan 0.000 0.436 495 L N 0.187 121.538 121.223 0.213 0.000 2.064 495 L HA -0.219 4.120 4.340 -0.002 0.000 0.216 495 L C -0.426 176.653 176.870 0.348 0.000 1.077 495 L CA 2.470 57.505 54.840 0.325 0.000 0.766 495 L CB -2.145 40.085 42.059 0.286 0.000 0.890 495 L HN 0.261 nan 8.230 nan 0.000 0.435 496 P HA -0.141 nan 4.420 nan 0.000 0.223 496 P C 1.464 178.898 177.300 0.223 0.000 1.144 496 P CA 0.957 64.183 63.100 0.211 0.000 0.783 496 P CB 0.100 31.872 31.700 0.121 0.000 0.771 497 E N -0.501 119.819 120.200 0.201 0.000 2.021 497 E HA -0.080 4.268 4.350 -0.002 0.000 0.189 497 E C 2.118 178.806 176.600 0.147 0.000 0.980 497 E CA 0.946 57.445 56.400 0.165 0.000 0.803 497 E CB -0.421 29.370 29.700 0.152 0.000 0.766 497 E HN 0.208 nan 8.360 nan 0.000 0.449 498 R N -0.002 120.582 120.500 0.140 0.000 2.117 498 R HA -0.138 4.200 4.340 -0.002 0.000 0.243 498 R C 1.984 178.199 176.300 -0.142 0.000 1.143 498 R CA 1.054 57.151 56.100 -0.004 0.000 0.968 498 R CB -0.675 29.605 30.300 -0.033 0.000 0.863 498 R HN 0.193 nan 8.270 nan 0.000 0.444 499 F N 0.701 120.716 119.950 0.110 0.000 2.660 499 F HA 0.112 4.638 4.527 -0.002 0.000 0.302 499 F C 0.122 175.978 175.800 0.094 0.000 1.103 499 F CA -0.654 57.402 58.000 0.093 0.000 1.340 499 F CB -0.316 38.743 39.000 0.097 0.000 1.048 499 F HN 0.021 nan 8.300 nan 0.000 0.551 500 D N 1.787 122.317 120.400 0.216 0.000 2.740 500 D HA -0.218 4.420 4.640 -0.002 0.000 0.231 500 D C -0.559 175.857 176.300 0.194 0.000 1.194 500 D CA 0.311 54.413 54.000 0.171 0.000 0.673 500 D CB -0.724 40.151 40.800 0.124 0.000 0.995 500 D HN 0.228 nan 8.370 nan 0.000 0.411 501 L N 0.597 121.957 121.223 0.229 0.000 2.350 501 L HA 0.592 4.931 4.340 -0.002 0.000 0.275 501 L C 1.270 178.274 176.870 0.223 0.000 1.099 501 L CA -0.066 54.927 54.840 0.256 0.000 0.808 501 L CB 1.487 43.695 42.059 0.249 0.000 1.149 501 L HN 0.365 nan 8.230 nan 0.000 0.442 502 T N -0.818 113.876 114.554 0.234 0.000 2.804 502 T HA 0.679 5.028 4.350 -0.002 0.000 0.290 502 T C -1.061 173.791 174.700 0.253 0.000 1.099 502 T CA -0.737 61.435 62.100 0.120 0.000 1.011 502 T CB 1.937 70.716 68.868 -0.148 0.000 1.291 502 T HN 0.515 nan 8.240 nan 0.000 0.523 503 Y N -0.807 119.574 120.300 0.134 0.000 2.504 503 Y HA 0.814 5.362 4.550 -0.002 0.000 0.344 503 Y C -1.657 174.336 175.900 0.154 0.000 1.023 503 Y CA -1.750 56.453 58.100 0.172 0.000 1.020 503 Y CB 0.860 39.476 38.460 0.259 0.000 1.282 503 Y HN 0.624 nan 8.280 nan 0.000 0.454 504 I N 3.407 124.139 120.570 0.270 0.000 2.396 504 I HA 0.611 4.780 4.170 -0.002 0.000 0.292 504 I C 0.933 177.317 176.117 0.446 0.000 0.999 504 I CA 0.140 61.580 61.300 0.234 0.000 1.310 504 I CB 1.378 39.485 38.000 0.179 0.000 1.404 504 I HN 0.971 nan 8.210 nan 0.000 0.496 505 G N 3.328 112.321 108.800 0.320 0.000 2.509 505 G HA2 0.180 4.139 3.960 -0.002 0.000 0.269 505 G HA3 0.180 4.139 3.960 -0.002 0.000 0.269 505 G C 0.445 175.385 174.900 0.068 0.000 1.416 505 G CA -0.272 44.972 45.100 0.241 0.000 1.052 505 G HN 0.646 nan 8.290 nan 0.000 0.542 506 Q N -0.423 119.259 119.800 -0.197 0.000 2.077 506 Q HA -0.119 4.219 4.340 -0.002 0.000 0.206 506 Q C 0.842 176.851 176.000 0.016 0.000 0.989 506 Q CA 1.691 57.431 55.803 -0.106 0.000 0.853 506 Q CB 0.002 28.653 28.738 -0.145 0.000 0.907 506 Q HN 0.524 nan 8.270 nan 0.000 0.418 507 D N -1.758 118.648 120.400 0.010 0.000 2.427 507 D HA 0.170 4.809 4.640 -0.002 0.000 0.224 507 D C 0.610 176.921 176.300 0.018 0.000 1.157 507 D CA 0.609 54.617 54.000 0.014 0.000 0.828 507 D CB 0.843 41.642 40.800 -0.003 0.000 0.974 507 D HN 0.391 nan 8.370 nan 0.000 0.498 508 G N 1.576 110.405 108.800 0.049 0.000 2.136 508 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.242 508 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.242 508 G C -0.004 174.917 174.900 0.034 0.000 0.989 508 G CA -0.038 45.097 45.100 0.058 0.000 0.682 508 G HN 0.368 nan 8.290 nan 0.000 0.522 509 E N 0.232 120.418 120.200 -0.024 0.000 2.345 509 E HA 0.636 4.985 4.350 -0.002 0.000 0.259 509 E C 0.145 176.685 176.600 -0.101 0.000 1.117 509 E CA -0.612 55.705 56.400 -0.139 0.000 0.913 509 E CB 0.507 30.035 29.700 -0.288 0.000 1.057 509 E HN 0.572 nan 8.360 nan 0.000 0.432 510 H N 1.159 120.016 119.070 -0.356 0.000 2.594 510 H HA 0.253 4.807 4.556 -0.002 0.000 0.304 510 H C -0.292 174.764 175.328 -0.453 0.000 1.068 510 H CA -0.678 55.180 56.048 -0.317 0.000 1.308 510 H CB 0.565 30.239 29.762 -0.147 0.000 1.409 510 H HN 0.391 nan 8.280 nan 0.000 0.460 511 H N 2.194 121.063 119.070 -0.335 0.000 2.651 511 H HA 0.322 4.877 4.556 -0.002 0.000 0.353 511 H C -0.068 175.079 175.328 -0.301 0.000 1.178 511 H CA -0.800 54.983 56.048 -0.442 0.000 1.224 511 H CB 2.029 31.216 29.762 -0.959 0.000 1.702 511 H HN 0.479 nan 8.280 nan 0.000 0.550 512 R N 2.097 122.649 120.500 0.088 0.000 2.294 512 R HA 0.284 4.622 4.340 -0.002 0.000 0.319 512 R C -2.468 174.017 176.300 0.310 0.000 0.984 512 R CA -1.502 54.704 56.100 0.177 0.000 0.861 512 R CB 1.028 31.429 30.300 0.168 0.000 1.104 512 R HN 0.407 nan 8.270 nan 0.000 0.451 513 P HA 0.211 nan 4.420 nan 0.000 0.280 513 P C -1.041 176.298 177.300 0.066 0.000 1.272 513 P CA -0.437 62.821 63.100 0.262 0.000 0.819 513 P CB 1.317 33.126 31.700 0.181 0.000 1.122 514 V N 0.262 120.131 119.914 -0.074 0.000 2.715 514 V HA 0.349 4.468 4.120 -0.002 0.000 0.310 514 V C 0.140 176.014 176.094 -0.366 0.000 1.054 514 V CA -0.779 61.346 62.300 -0.293 0.000 0.928 514 V CB 2.162 33.695 31.823 -0.484 0.000 1.007 514 V HN 0.251 nan 8.190 nan 0.000 0.437 515 V N 4.947 124.590 119.914 -0.452 0.000 2.459 515 V HA 0.529 4.648 4.120 -0.002 0.000 0.295 515 V C -0.388 175.471 176.094 -0.391 0.000 1.029 515 V CA -0.432 61.536 62.300 -0.554 0.000 0.874 515 V CB 1.765 33.175 31.823 -0.690 0.000 0.985 515 V HN 0.661 nan 8.190 nan 0.000 0.438 516 I N 4.617 124.965 120.570 -0.369 0.000 2.355 516 I HA 0.397 4.565 4.170 -0.002 0.000 0.288 516 I C 0.073 176.041 176.117 -0.248 0.000 0.999 516 I CA -0.370 60.827 61.300 -0.173 0.000 1.163 516 I CB 0.730 38.668 38.000 -0.103 0.000 1.316 516 I HN 0.591 nan 8.210 nan 0.000 0.454 517 H N 6.539 125.458 119.070 -0.251 0.000 2.525 517 H HA 0.619 5.174 4.556 -0.002 0.000 0.339 517 H C -0.427 174.745 175.328 -0.260 0.000 1.109 517 H CA -0.738 55.085 56.048 -0.375 0.000 1.352 517 H CB 1.369 30.976 29.762 -0.258 0.000 1.461 517 H HN 0.477 nan 8.280 nan 0.000 0.533 518 R N 0.479 120.872 120.500 -0.178 0.000 2.594 518 R HA 0.428 4.767 4.340 -0.002 0.000 0.265 518 R C -1.247 174.989 176.300 -0.108 0.000 1.070 518 R CA -1.074 54.951 56.100 -0.125 0.000 0.909 518 R CB 0.357 30.566 30.300 -0.152 0.000 1.243 518 R HN 0.724 nan 8.270 nan 0.000 0.455 519 G N 1.226 109.985 108.800 -0.068 0.000 2.728 519 G HA2 0.490 4.449 3.960 -0.002 0.000 0.296 519 G HA3 0.490 4.449 3.960 -0.002 0.000 0.296 519 G C -0.180 174.701 174.900 -0.031 0.000 1.401 519 G CA -0.609 44.463 45.100 -0.046 0.000 1.007 519 G HN 0.359 nan 8.290 nan 0.000 0.527 520 V N 2.903 122.787 119.914 -0.050 0.000 2.249 520 V HA -0.063 4.056 4.120 -0.002 0.000 0.239 520 V C 2.278 178.399 176.094 0.046 0.000 1.038 520 V CA 0.969 63.262 62.300 -0.011 0.000 1.005 520 V CB -0.355 31.445 31.823 -0.038 0.000 0.646 520 V HN 0.409 nan 8.190 nan 0.000 0.455 521 V N 0.578 120.426 119.914 -0.110 0.000 3.416 521 V HA 0.186 4.305 4.120 -0.002 0.000 0.334 521 V C 1.075 176.972 176.094 -0.328 0.000 1.271 521 V CA 0.980 62.992 62.300 -0.480 0.000 1.274 521 V CB -0.988 30.425 31.823 -0.682 0.000 1.153 521 V HN 0.765 nan 8.190 nan 0.000 0.433 522 S N 0.060 115.761 115.700 0.002 0.000 3.330 522 S HA -0.262 4.207 4.470 -0.002 0.000 0.630 522 S C 0.636 175.260 174.600 0.040 0.000 2.776 522 S CA 1.442 59.693 58.200 0.084 0.000 3.494 522 S CB -1.222 62.118 63.200 0.234 0.000 0.291 522 S HN 0.685 nan 8.310 nan 0.000 1.451 523 T N 1.477 116.081 114.554 0.084 0.000 2.907 523 T HA 0.514 4.863 4.350 -0.002 0.000 0.284 523 T C 1.643 176.423 174.700 0.133 0.000 1.004 523 T CA -0.112 62.032 62.100 0.075 0.000 1.063 523 T CB 0.653 69.562 68.868 0.069 0.000 0.992 523 T HN 0.449 nan 8.240 nan 0.000 0.483 524 M N 2.546 122.223 119.600 0.127 0.000 2.108 524 M HA -0.061 4.417 4.480 -0.002 0.000 0.261 524 M C 2.197 178.763 176.300 0.443 0.000 1.066 524 M CA 1.556 56.983 55.300 0.212 0.000 1.107 524 M CB -1.054 31.570 32.600 0.041 0.000 1.356 524 M HN 0.703 nan 8.290 nan 0.000 0.406 525 E N 0.132 120.577 120.200 0.408 0.000 2.028 525 E HA -0.219 4.129 4.350 -0.002 0.000 0.191 525 E C 2.110 178.705 176.600 -0.009 0.000 0.988 525 E CA 1.409 57.916 56.400 0.177 0.000 0.799 525 E CB -0.896 28.805 29.700 0.001 0.000 0.755 525 E HN 0.466 nan 8.360 nan 0.000 0.447 526 R N 0.375 120.878 120.500 0.005 0.000 2.083 526 R HA -0.153 4.186 4.340 -0.002 0.000 0.237 526 R C 2.309 178.601 176.300 -0.013 0.000 1.137 526 R CA 1.357 57.423 56.100 -0.057 0.000 0.951 526 R CB -0.796 29.489 30.300 -0.024 0.000 0.851 526 R HN 0.157 nan 8.270 nan 0.000 0.434 527 F N 0.078 120.012 119.950 -0.026 0.000 2.095 527 F HA -0.176 4.350 4.527 -0.002 0.000 0.298 527 F C 1.946 177.761 175.800 0.025 0.000 1.104 527 F CA 1.733 59.728 58.000 -0.009 0.000 1.232 527 F CB -0.269 38.720 39.000 -0.017 0.000 0.987 527 F HN -0.124 nan 8.300 nan 0.000 0.475 528 V N -0.181 119.847 119.914 0.190 0.000 2.809 528 V HA -0.209 3.909 4.120 -0.002 0.000 0.256 528 V C 2.416 178.501 176.094 -0.016 0.000 1.080 528 V CA 1.291 63.672 62.300 0.136 0.000 1.102 528 V CB -1.230 30.756 31.823 0.272 0.000 0.705 528 V HN 0.447 nan 8.190 nan 0.000 0.475 529 A N -0.360 122.358 122.820 -0.170 0.000 1.897 529 A HA -0.138 4.181 4.320 -0.002 0.000 0.215 529 A C 2.044 179.488 177.584 -0.234 0.000 1.181 529 A CA 1.408 53.206 52.037 -0.398 0.000 0.620 529 A CB -0.572 17.957 19.000 -0.786 0.000 0.821 529 A HN 0.451 nan 8.150 nan 0.000 0.443 530 F N 0.414 120.129 119.950 -0.392 0.000 2.051 530 F HA -0.139 4.387 4.527 -0.002 0.000 0.296 530 F C 1.929 177.498 175.800 -0.384 0.000 1.122 530 F CA 1.626 59.356 58.000 -0.451 0.000 1.201 530 F CB -0.666 37.929 39.000 -0.674 0.000 0.978 530 F HN 0.196 nan 8.300 nan 0.000 0.472 531 L N 0.058 121.042 121.223 -0.399 0.000 2.081 531 L HA -0.233 4.106 4.340 -0.002 0.000 0.212 531 L C 2.206 178.982 176.870 -0.157 0.000 1.080 531 L CA 2.549 57.261 54.840 -0.213 0.000 0.754 531 L CB -1.294 40.792 42.059 0.045 0.000 0.893 531 L HN 0.230 nan 8.230 nan 0.000 0.433 532 T N -0.559 113.974 114.554 -0.036 0.000 2.708 532 T HA -0.183 4.166 4.350 -0.002 0.000 0.266 532 T C 1.686 176.251 174.700 -0.225 0.000 1.037 532 T CA 1.845 63.906 62.100 -0.065 0.000 1.146 532 T CB -0.225 68.740 68.868 0.161 0.000 0.865 532 T HN 0.502 nan 8.240 nan 0.000 0.435 533 E N 0.594 120.668 120.200 -0.210 0.000 2.047 533 E HA -0.147 4.201 4.350 -0.002 0.000 0.191 533 E C 2.323 178.719 176.600 -0.340 0.000 0.987 533 E CA 0.967 57.232 56.400 -0.225 0.000 0.799 533 E CB -0.119 29.477 29.700 -0.172 0.000 0.752 533 E HN 0.348 nan 8.360 nan 0.000 0.449 534 E N 0.034 119.907 120.200 -0.545 0.000 2.209 534 E HA -0.142 4.206 4.350 -0.002 0.000 0.196 534 E C 1.816 178.223 176.600 -0.322 0.000 0.993 534 E CA 1.268 57.349 56.400 -0.531 0.000 0.819 534 E CB -0.015 29.215 29.700 -0.783 0.000 0.745 534 E HN 0.041 nan 8.360 nan 0.000 0.477 535 T N -1.362 112.989 114.554 -0.339 0.000 3.015 535 T HA 0.099 4.448 4.350 -0.002 0.000 0.250 535 T C 0.033 174.521 174.700 -0.354 0.000 1.057 535 T CA 0.451 62.343 62.100 -0.346 0.000 1.066 535 T CB 0.004 68.589 68.868 -0.473 0.000 0.959 535 T HN 0.154 nan 8.240 nan 0.000 0.488 536 K N -0.044 120.156 120.400 -0.334 0.000 3.230 536 K HA -0.193 4.126 4.320 -0.002 0.000 0.285 536 K C 0.801 177.208 176.600 -0.322 0.000 1.196 536 K CA 0.405 56.540 56.287 -0.254 0.000 0.838 536 K CB -1.770 30.635 32.500 -0.158 0.000 1.262 536 K HN 0.523 nan 8.250 nan 0.000 0.492 537 G N -1.227 107.226 108.800 -0.578 0.000 2.199 537 G HA2 -0.289 3.669 3.960 -0.002 0.000 0.254 537 G HA3 -0.289 3.669 3.960 -0.002 0.000 0.254 537 G C 0.250 174.725 174.900 -0.709 0.000 0.982 537 G CA 0.202 44.910 45.100 -0.653 0.000 0.632 537 G HN 0.941 nan 8.290 nan 0.000 0.529 538 A N 0.647 123.100 122.820 -0.612 0.000 3.016 538 A HA 0.711 5.029 4.320 -0.002 0.000 0.303 538 A C 0.112 177.477 177.584 -0.366 0.000 1.507 538 A CA -0.479 51.299 52.037 -0.431 0.000 1.196 538 A CB -0.504 18.357 19.000 -0.232 0.000 1.169 538 A HN 0.456 nan 8.150 nan 0.000 0.544 539 F N 2.563 122.434 119.950 -0.132 0.000 2.484 539 F HA 0.276 4.802 4.527 -0.002 0.000 0.360 539 F C -1.331 174.417 175.800 -0.086 0.000 1.101 539 F CA -1.839 56.092 58.000 -0.115 0.000 1.251 539 F CB 0.281 39.202 39.000 -0.132 0.000 1.132 539 F HN 0.373 nan 8.300 nan 0.000 0.570 540 P HA -0.034 nan 4.420 nan 0.000 0.264 540 P C 0.648 178.026 177.300 0.131 0.000 1.183 540 P CA 0.162 63.352 63.100 0.150 0.000 0.763 540 P CB 0.509 32.365 31.700 0.261 0.000 0.807 541 T N 1.788 116.458 114.554 0.193 0.000 2.718 541 T HA -0.198 4.151 4.350 -0.002 0.000 0.266 541 T C 1.482 176.293 174.700 0.185 0.000 1.033 541 T CA 1.948 64.163 62.100 0.193 0.000 1.151 541 T CB -0.658 68.354 68.868 0.240 0.000 0.853 541 T HN 0.655 nan 8.240 nan 0.000 0.466 542 W N 1.516 122.823 121.300 0.011 0.000 2.465 542 W HA 0.116 4.774 4.660 -0.002 0.000 0.268 542 W C 1.083 177.593 176.519 -0.014 0.000 1.242 542 W CA 0.406 57.735 57.345 -0.026 0.000 1.248 542 W CB -1.063 28.352 29.460 -0.074 0.000 1.118 542 W HN 0.299 nan 8.180 nan 0.000 0.587 543 L N 1.006 121.985 121.223 -0.407 0.000 2.616 543 L HA 0.390 4.729 4.340 -0.002 0.000 0.229 543 L C 1.534 178.245 176.870 -0.265 0.000 1.110 543 L CA -0.118 54.434 54.840 -0.480 0.000 0.884 543 L CB -0.756 40.884 42.059 -0.699 0.000 1.115 543 L HN -0.180 nan 8.230 nan 0.000 0.481 544 A N 1.012 123.775 122.820 -0.096 0.000 2.511 544 A HA 0.179 4.497 4.320 -0.002 0.000 0.242 544 A C -1.498 176.042 177.584 -0.074 0.000 1.069 544 A CA -0.754 51.259 52.037 -0.040 0.000 0.763 544 A CB -0.025 19.007 19.000 0.053 0.000 1.001 544 A HN -0.001 nan 8.150 nan 0.000 0.498 545 P HA -0.083 nan 4.420 nan 0.000 0.218 545 P C 0.250 177.539 177.300 -0.019 0.000 1.148 545 P CA 1.397 64.455 63.100 -0.070 0.000 0.822 545 P CB 0.251 31.913 31.700 -0.065 0.000 0.784 546 K N -0.658 119.745 120.400 0.004 0.000 2.535 546 K HA 0.186 4.505 4.320 -0.002 0.000 0.250 546 K C 0.212 176.846 176.600 0.057 0.000 0.948 546 K CA -0.243 56.061 56.287 0.028 0.000 0.796 546 K CB 1.389 33.905 32.500 0.027 0.000 1.216 546 K HN -0.177 nan 8.250 nan 0.000 0.432 547 Q N 0.792 120.643 119.800 0.084 0.000 2.259 547 Q HA 0.141 4.479 4.340 -0.002 0.000 0.201 547 Q C 0.019 176.156 176.000 0.227 0.000 0.938 547 Q CA 0.424 56.315 55.803 0.148 0.000 0.872 547 Q CB 0.875 29.693 28.738 0.133 0.000 0.971 547 Q HN 0.273 nan 8.270 nan 0.000 0.494 548 V N 0.777 120.797 119.914 0.177 0.000 2.709 548 V HA 0.349 4.467 4.120 -0.002 0.000 0.308 548 V C -1.164 175.005 176.094 0.125 0.000 1.062 548 V CA -0.891 61.534 62.300 0.209 0.000 0.901 548 V CB 1.937 33.888 31.823 0.212 0.000 1.003 548 V HN 0.008 nan 8.190 nan 0.000 0.425 549 Q N 3.390 123.257 119.800 0.112 0.000 2.309 549 Q HA 0.639 4.977 4.340 -0.002 0.000 0.270 549 Q C -1.498 174.532 176.000 0.051 0.000 1.023 549 Q CA -0.148 55.695 55.803 0.068 0.000 0.758 549 Q CB 1.650 30.420 28.738 0.054 0.000 1.247 549 Q HN 0.730 nan 8.270 nan 0.000 0.455 550 I N 5.454 126.044 120.570 0.034 0.000 2.304 550 I HA 0.390 4.559 4.170 -0.002 0.000 0.291 550 I C -0.392 175.746 176.117 0.035 0.000 1.018 550 I CA -0.403 60.904 61.300 0.012 0.000 1.260 550 I CB 0.941 38.928 38.000 -0.021 0.000 1.390 550 I HN 0.574 nan 8.210 nan 0.000 0.475 551 I N 8.702 129.297 120.570 0.041 0.000 2.359 551 I HA 0.329 4.498 4.170 -0.002 0.000 0.284 551 I C -2.275 173.896 176.117 0.090 0.000 1.018 551 I CA -2.052 59.289 61.300 0.067 0.000 1.173 551 I CB 1.198 39.235 38.000 0.061 0.000 1.326 551 I HN 0.277 nan 8.210 nan 0.000 0.462 552 P HA 0.077 nan 4.420 nan 0.000 0.276 552 P C 1.036 178.462 177.300 0.209 0.000 1.235 552 P CA -0.138 63.077 63.100 0.193 0.000 0.772 552 P CB 1.953 33.790 31.700 0.228 0.000 0.871 553 V N 3.210 123.301 119.914 0.295 0.000 2.282 553 V HA -0.211 3.908 4.120 -0.002 0.000 0.249 553 V C 1.261 177.454 176.094 0.165 0.000 1.057 553 V CA 2.013 64.461 62.300 0.247 0.000 1.032 553 V CB -1.131 30.877 31.823 0.308 0.000 0.645 553 V HN 0.705 nan 8.190 nan 0.000 0.447 554 N N -0.664 118.105 118.700 0.114 0.000 2.540 554 N HA 0.277 5.016 4.740 -0.002 0.000 0.275 554 N C 0.305 175.775 175.510 -0.067 0.000 1.053 554 N CA 0.014 53.000 53.050 -0.106 0.000 0.876 554 N CB 1.869 40.138 38.487 -0.362 0.000 1.284 554 N HN -0.001 nan 8.380 nan 0.000 0.518 555 V N 1.727 121.662 119.914 0.035 0.000 3.140 555 V HA -0.142 3.977 4.120 -0.002 0.000 0.269 555 V C 0.775 176.911 176.094 0.070 0.000 1.149 555 V CA 1.737 64.097 62.300 0.100 0.000 1.162 555 V CB -0.360 31.519 31.823 0.092 0.000 0.756 555 V HN 0.685 nan 8.190 nan 0.000 0.523 556 D N 0.235 120.622 120.400 -0.022 0.000 2.214 556 D HA 0.027 4.665 4.640 -0.002 0.000 0.217 556 D C 1.867 178.157 176.300 -0.016 0.000 0.973 556 D CA 1.415 55.401 54.000 -0.024 0.000 0.880 556 D CB 0.044 40.812 40.800 -0.053 0.000 1.031 556 D HN 0.506 nan 8.370 nan 0.000 0.468 557 L N 0.204 121.340 121.223 -0.144 0.000 2.240 557 L HA -0.025 4.313 4.340 -0.002 0.000 0.211 557 L C 1.750 178.699 176.870 0.131 0.000 1.106 557 L CA 1.358 56.140 54.840 -0.096 0.000 0.793 557 L CB -0.732 41.162 42.059 -0.275 0.000 0.927 557 L HN 0.197 nan 8.230 nan 0.000 0.446 558 H N -3.975 115.160 119.070 0.110 0.000 2.705 558 H HA 0.035 4.590 4.556 -0.002 0.000 0.269 558 H C 1.564 176.997 175.328 0.175 0.000 0.998 558 H CA 0.023 56.150 56.048 0.133 0.000 1.193 558 H CB 0.357 30.182 29.762 0.105 0.000 1.485 558 H HN 0.190 nan 8.280 nan 0.000 0.521 559 Y N 2.976 123.381 120.300 0.175 0.000 2.145 559 Y HA -0.271 4.277 4.550 -0.002 0.000 0.286 559 Y C 1.557 177.528 175.900 0.118 0.000 1.145 559 Y CA 2.135 60.309 58.100 0.122 0.000 1.148 559 Y CB -0.147 38.357 38.460 0.074 0.000 0.981 559 Y HN 0.254 nan 8.280 nan 0.000 0.507 560 D N -0.876 119.659 120.400 0.224 0.000 2.157 560 D HA -0.359 4.280 4.640 -0.002 0.000 0.191 560 D C 1.855 178.186 176.300 0.052 0.000 1.004 560 D CA 2.022 56.106 54.000 0.141 0.000 0.854 560 D CB -1.105 39.813 40.800 0.197 0.000 0.936 560 D HN 0.522 nan 8.370 nan 0.000 0.446 561 Y N 1.426 121.712 120.300 -0.023 0.000 2.109 561 Y HA -0.021 4.528 4.550 -0.002 0.000 0.285 561 Y C 2.613 178.454 175.900 -0.098 0.000 1.131 561 Y CA 1.400 59.476 58.100 -0.041 0.000 1.121 561 Y CB -0.850 37.598 38.460 -0.021 0.000 0.987 561 Y HN 0.022 nan 8.280 nan 0.000 0.495 562 A N 0.421 123.155 122.820 -0.143 0.000 1.948 562 A HA -0.287 4.032 4.320 -0.002 0.000 0.220 562 A C 2.238 179.611 177.584 -0.352 0.000 1.177 562 A CA 2.187 54.066 52.037 -0.264 0.000 0.636 562 A CB -0.756 18.149 19.000 -0.158 0.000 0.815 562 A HN 0.443 nan 8.150 nan 0.000 0.449 563 R N -0.216 120.002 120.500 -0.470 0.000 2.092 563 R HA -0.061 4.277 4.340 -0.002 0.000 0.231 563 R C 2.193 178.360 176.300 -0.221 0.000 1.119 563 R CA 1.903 57.752 56.100 -0.419 0.000 0.970 563 R CB -0.722 29.256 30.300 -0.537 0.000 0.864 563 R HN 0.724 nan 8.270 nan 0.000 0.440 564 Q N -0.507 119.171 119.800 -0.204 0.000 1.993 564 Q HA -0.155 4.184 4.340 -0.002 0.000 0.202 564 Q C 1.918 177.812 176.000 -0.176 0.000 0.984 564 Q CA 1.737 57.450 55.803 -0.151 0.000 0.837 564 Q CB -0.326 28.329 28.738 -0.139 0.000 0.902 564 Q HN 0.246 nan 8.270 nan 0.000 0.423 565 L N 1.053 122.108 121.223 -0.281 0.000 2.081 565 L HA -0.282 4.056 4.340 -0.002 0.000 0.212 565 L C 2.289 179.090 176.870 -0.114 0.000 1.080 565 L CA 1.941 56.651 54.840 -0.216 0.000 0.754 565 L CB -0.594 41.280 42.059 -0.309 0.000 0.893 565 L HN 0.278 nan 8.230 nan 0.000 0.433 566 Q N -0.873 118.851 119.800 -0.126 0.000 1.993 566 Q HA -0.234 4.104 4.340 -0.002 0.000 0.202 566 Q C 1.834 177.805 176.000 -0.050 0.000 0.984 566 Q CA 2.090 57.848 55.803 -0.074 0.000 0.837 566 Q CB -0.094 28.593 28.738 -0.085 0.000 0.902 566 Q HN 0.553 nan 8.270 nan 0.000 0.423 567 D N 0.315 120.680 120.400 -0.058 0.000 2.123 567 D HA -0.176 4.462 4.640 -0.002 0.000 0.196 567 D C 1.703 177.985 176.300 -0.030 0.000 0.992 567 D CA 1.288 55.267 54.000 -0.035 0.000 0.833 567 D CB -0.137 40.644 40.800 -0.032 0.000 0.954 567 D HN 0.383 nan 8.370 nan 0.000 0.455 568 E N 0.054 120.231 120.200 -0.038 0.000 2.031 568 E HA -0.116 4.233 4.350 -0.002 0.000 0.193 568 E C 2.393 178.978 176.600 -0.026 0.000 0.994 568 E CA 0.511 56.894 56.400 -0.027 0.000 0.800 568 E CB -0.114 29.569 29.700 -0.029 0.000 0.752 568 E HN 0.213 nan 8.360 nan 0.000 0.447 569 L N 0.900 122.107 121.223 -0.026 0.000 2.012 569 L HA -0.232 4.107 4.340 -0.002 0.000 0.210 569 L C 2.537 179.392 176.870 -0.026 0.000 1.073 569 L CA 1.265 56.088 54.840 -0.027 0.000 0.748 569 L CB -0.351 41.707 42.059 -0.002 0.000 0.891 569 L HN 0.058 nan 8.230 nan 0.000 0.431 570 K N -0.177 120.212 120.400 -0.018 0.000 2.147 570 K HA -0.152 4.167 4.320 -0.002 0.000 0.205 570 K C 2.241 178.833 176.600 -0.014 0.000 1.049 570 K CA 1.603 57.883 56.287 -0.012 0.000 0.936 570 K CB -0.106 32.390 32.500 -0.007 0.000 0.722 570 K HN 0.382 nan 8.250 nan 0.000 0.446 571 S N 0.245 115.936 115.700 -0.016 0.000 2.555 571 S HA -0.086 4.383 4.470 -0.002 0.000 0.230 571 S C 1.265 175.853 174.600 -0.019 0.000 0.978 571 S CA 0.691 58.883 58.200 -0.014 0.000 0.934 571 S CB 0.096 63.289 63.200 -0.011 0.000 0.766 571 S HN 0.271 nan 8.310 nan 0.000 0.533 572 Q N -0.011 119.772 119.800 -0.029 0.000 2.157 572 Q HA 0.335 4.674 4.340 -0.002 0.000 0.229 572 Q C 0.829 176.803 176.000 -0.043 0.000 0.827 572 Q CA 0.145 55.923 55.803 -0.041 0.000 1.055 572 Q CB 0.791 29.494 28.738 -0.059 0.000 1.157 572 Q HN 0.715 nan 8.270 nan 0.000 0.482 573 G N 0.611 109.395 108.800 -0.028 0.000 2.159 573 G HA2 -0.252 3.706 3.960 -0.002 0.000 0.256 573 G HA3 -0.252 3.706 3.960 -0.002 0.000 0.256 573 G C 0.246 175.137 174.900 -0.016 0.000 0.977 573 G CA 0.104 45.192 45.100 -0.019 0.000 0.652 573 G HN 0.256 nan 8.290 nan 0.000 0.531 574 V N 0.930 120.830 119.914 -0.024 0.000 2.555 574 V HA 0.341 4.460 4.120 -0.002 0.000 0.286 574 V C 1.214 177.311 176.094 0.005 0.000 1.044 574 V CA -0.199 62.092 62.300 -0.016 0.000 1.026 574 V CB 1.195 32.997 31.823 -0.034 0.000 0.981 574 V HN 0.370 nan 8.190 nan 0.000 0.480 575 R N 3.277 123.788 120.500 0.018 0.000 2.248 575 R HA 0.560 4.899 4.340 -0.002 0.000 0.337 575 R C -0.689 175.633 176.300 0.036 0.000 1.085 575 R CA 0.008 56.122 56.100 0.023 0.000 0.934 575 R CB 1.160 31.472 30.300 0.021 0.000 1.034 575 R HN 0.531 nan 8.270 nan 0.000 0.465 576 V N 2.208 122.142 119.914 0.033 0.000 3.087 576 V HA 0.725 4.844 4.120 -0.002 0.000 0.306 576 V C -1.205 174.909 176.094 0.033 0.000 1.187 576 V CA -0.304 62.021 62.300 0.042 0.000 0.999 576 V CB 2.564 34.410 31.823 0.040 0.000 1.049 576 V HN 0.909 nan 8.190 nan 0.000 0.431 577 S N 5.103 120.825 115.700 0.037 0.000 2.656 577 S HA 0.755 5.224 4.470 -0.002 0.000 0.273 577 S C -1.259 173.365 174.600 0.040 0.000 1.168 577 S CA -0.860 57.363 58.200 0.038 0.000 0.817 577 S CB 1.693 64.919 63.200 0.043 0.000 1.146 577 S HN 0.762 nan 8.310 nan 0.000 0.475 578 I N 1.293 121.897 120.570 0.058 0.000 2.433 578 I HA 0.388 4.556 4.170 -0.002 0.000 0.292 578 I C -1.043 175.134 176.117 0.100 0.000 1.001 578 I CA -0.504 60.840 61.300 0.073 0.000 1.119 578 I CB 1.857 39.907 38.000 0.084 0.000 1.289 578 I HN 0.665 nan 8.210 nan 0.000 0.438 579 D N 5.579 126.034 120.400 0.093 0.000 2.524 579 D HA 0.073 4.711 4.640 -0.002 0.000 0.222 579 D C 0.187 176.557 176.300 0.116 0.000 1.142 579 D CA -0.241 53.815 54.000 0.093 0.000 0.973 579 D CB 0.453 41.297 40.800 0.073 0.000 1.025 579 D HN 0.486 nan 8.370 nan 0.000 0.519 580 D N 1.601 122.079 120.400 0.130 0.000 2.358 580 D HA 0.010 4.649 4.640 -0.002 0.000 0.224 580 D C 0.420 176.767 176.300 0.079 0.000 1.123 580 D CA -0.340 53.736 54.000 0.128 0.000 0.833 580 D CB -0.087 40.803 40.800 0.149 0.000 0.946 580 D HN 0.188 nan 8.370 nan 0.000 0.505 581 R N 0.352 120.903 120.500 0.084 0.000 2.738 581 R HA 0.148 4.487 4.340 -0.002 0.000 0.268 581 R C 0.360 176.699 176.300 0.065 0.000 1.062 581 R CA -0.295 55.849 56.100 0.074 0.000 1.158 581 R CB 0.287 30.650 30.300 0.104 0.000 1.046 581 R HN 0.127 nan 8.270 nan 0.000 0.493 582 N N 1.468 120.191 118.700 0.039 0.000 2.739 582 N HA -0.029 4.709 4.740 -0.002 0.000 0.266 582 N C -1.040 174.476 175.510 0.011 0.000 1.168 582 N CA 0.057 53.118 53.050 0.018 0.000 1.055 582 N CB 0.347 38.832 38.487 -0.004 0.000 1.393 582 N HN 0.313 nan 8.380 nan 0.000 0.514 583 E N 1.645 121.871 120.200 0.043 0.000 2.390 583 E HA 0.239 4.588 4.350 -0.002 0.000 0.277 583 E C -0.806 175.840 176.600 0.076 0.000 0.939 583 E CA -0.795 55.628 56.400 0.039 0.000 0.769 583 E CB 1.372 31.204 29.700 0.221 0.000 1.251 583 E HN 0.324 nan 8.360 nan 0.000 0.450 584 K N 1.424 121.855 120.400 0.051 0.000 2.355 584 K HA 0.091 4.410 4.320 -0.002 0.000 0.270 584 K C 1.177 177.857 176.600 0.133 0.000 1.003 584 K CA -0.254 56.079 56.287 0.075 0.000 0.957 584 K CB 0.507 33.036 32.500 0.049 0.000 0.939 584 K HN 0.562 nan 8.250 nan 0.000 0.482 585 M N 2.806 122.464 119.600 0.096 0.000 2.539 585 M HA -0.224 4.255 4.480 -0.002 0.000 0.265 585 M C 1.876 178.235 176.300 0.098 0.000 1.064 585 M CA 2.766 58.121 55.300 0.091 0.000 1.077 585 M CB -1.342 31.299 32.600 0.068 0.000 1.246 585 M HN 0.873 nan 8.290 nan 0.000 0.470 586 G N -1.791 107.062 108.800 0.088 0.000 2.507 586 G HA2 -0.334 3.624 3.960 -0.002 0.000 0.221 586 G HA3 -0.334 3.624 3.960 -0.002 0.000 0.221 586 G C 1.421 176.385 174.900 0.106 0.000 1.119 586 G CA 1.453 46.601 45.100 0.079 0.000 0.751 586 G HN 0.679 nan 8.290 nan 0.000 0.574 587 Y N 1.425 121.735 120.300 0.017 0.000 2.070 587 Y HA -0.118 4.431 4.550 -0.002 0.000 0.280 587 Y C 2.833 178.745 175.900 0.020 0.000 1.148 587 Y CA 2.219 60.329 58.100 0.016 0.000 1.125 587 Y CB -0.376 38.093 38.460 0.015 0.000 0.975 587 Y HN 0.152 nan 8.280 nan 0.000 0.492 588 K N -0.480 119.950 120.400 0.050 0.000 2.103 588 K HA -0.197 4.122 4.320 -0.002 0.000 0.207 588 K C 1.926 178.497 176.600 -0.049 0.000 1.048 588 K CA 1.796 58.065 56.287 -0.031 0.000 0.930 588 K CB -0.354 32.188 32.500 0.071 0.000 0.716 588 K HN 0.281 nan 8.250 nan 0.000 0.444 589 I N 0.819 121.384 120.570 -0.009 0.000 2.133 589 I HA -0.242 3.926 4.170 -0.002 0.000 0.238 589 I C 2.456 178.555 176.117 -0.030 0.000 1.074 589 I CA 1.280 62.577 61.300 -0.005 0.000 1.342 589 I CB -0.342 37.665 38.000 0.012 0.000 1.053 589 I HN 0.065 nan 8.210 nan 0.000 0.404 590 R N 0.512 120.987 120.500 -0.042 0.000 2.133 590 R HA -0.276 4.063 4.340 -0.002 0.000 0.247 590 R C 2.261 178.502 176.300 -0.098 0.000 1.151 590 R CA 2.130 58.198 56.100 -0.054 0.000 0.971 590 R CB -0.353 29.920 30.300 -0.044 0.000 0.866 590 R HN 0.474 nan 8.270 nan 0.000 0.447 591 E N -0.624 119.463 120.200 -0.189 0.000 2.150 591 E HA -0.161 4.187 4.350 -0.002 0.000 0.193 591 E C 1.692 178.234 176.600 -0.097 0.000 0.985 591 E CA 1.034 57.315 56.400 -0.198 0.000 0.814 591 E CB -0.047 29.456 29.700 -0.328 0.000 0.752 591 E HN 0.528 nan 8.360 nan 0.000 0.466 592 A N 0.658 123.441 122.820 -0.062 0.000 1.929 592 A HA -0.147 4.171 4.320 -0.002 0.000 0.216 592 A C 2.093 179.683 177.584 0.010 0.000 1.176 592 A CA 0.903 52.928 52.037 -0.019 0.000 0.628 592 A CB -0.234 18.768 19.000 0.003 0.000 0.816 592 A HN 0.206 nan 8.150 nan 0.000 0.444 593 Q N -0.808 119.010 119.800 0.030 0.000 2.119 593 Q HA -0.070 4.269 4.340 -0.002 0.000 0.201 593 Q C 2.036 178.089 176.000 0.088 0.000 0.972 593 Q CA 1.104 56.972 55.803 0.107 0.000 0.847 593 Q CB -0.428 28.359 28.738 0.082 0.000 0.903 593 Q HN 0.560 nan 8.270 nan 0.000 0.433 594 M N 0.360 119.970 119.600 0.017 0.000 2.296 594 M HA -0.099 4.379 4.480 -0.002 0.000 0.265 594 M C 1.696 177.976 176.300 -0.033 0.000 1.064 594 M CA 1.272 56.570 55.300 -0.004 0.000 1.109 594 M CB -0.566 32.017 32.600 -0.028 0.000 1.396 594 M HN 0.232 nan 8.290 nan 0.000 0.430 595 Q N 0.314 120.087 119.800 -0.045 0.000 2.451 595 Q HA -0.011 4.327 4.340 -0.002 0.000 0.206 595 Q C 0.033 175.967 176.000 -0.110 0.000 0.947 595 Q CA 0.086 55.854 55.803 -0.057 0.000 0.937 595 Q CB 0.335 29.048 28.738 -0.041 0.000 1.025 595 Q HN 0.297 nan 8.270 nan 0.000 0.511 596 K N -0.221 120.069 120.400 -0.183 0.000 3.192 596 K HA -0.203 4.116 4.320 -0.002 0.000 0.278 596 K C -0.752 175.621 176.600 -0.377 0.000 1.164 596 K CA 0.359 56.341 56.287 -0.508 0.000 0.816 596 K CB -2.193 29.961 32.500 -0.576 0.000 1.256 596 K HN 0.184 nan 8.250 nan 0.000 0.497 597 I N 1.454 121.937 120.570 -0.145 0.000 2.668 597 I HA -0.047 4.121 4.170 -0.002 0.000 0.285 597 I C -0.799 175.286 176.117 -0.053 0.000 1.168 597 I CA -1.507 59.763 61.300 -0.051 0.000 1.424 597 I CB 0.285 38.295 38.000 0.017 0.000 1.377 597 I HN 0.004 nan 8.210 nan 0.000 0.560 598 P HA -0.150 nan 4.420 nan 0.000 0.215 598 P C -0.733 176.337 177.300 -0.384 0.000 1.157 598 P CA 1.509 64.526 63.100 -0.139 0.000 0.874 598 P CB 0.104 31.813 31.700 0.014 0.000 0.790 599 Y N -1.310 119.069 120.300 0.132 0.000 2.331 599 Y HA 0.396 4.944 4.550 -0.002 0.000 0.334 599 Y C 0.465 176.418 175.900 0.087 0.000 0.960 599 Y CA -0.793 57.394 58.100 0.145 0.000 1.130 599 Y CB 1.497 40.107 38.460 0.251 0.000 1.164 599 Y HN -0.211 nan 8.280 nan 0.000 0.458 600 Q N 4.530 124.415 119.800 0.141 0.000 2.314 600 Q HA 0.507 4.845 4.340 -0.002 0.000 0.259 600 Q C -1.497 174.531 176.000 0.046 0.000 0.951 600 Q CA -0.566 55.285 55.803 0.080 0.000 0.909 600 Q CB 0.916 29.684 28.738 0.051 0.000 1.236 600 Q HN 0.606 nan 8.270 nan 0.000 0.444 601 I N 5.056 125.629 120.570 0.005 0.000 2.411 601 I HA 0.286 4.455 4.170 -0.002 0.000 0.284 601 I C -0.498 175.595 176.117 -0.040 0.000 1.012 601 I CA -0.661 60.591 61.300 -0.080 0.000 1.119 601 I CB 1.601 39.495 38.000 -0.178 0.000 1.261 601 I HN 0.408 nan 8.210 nan 0.000 0.448 602 V N 7.253 127.148 119.914 -0.032 0.000 2.407 602 V HA 0.391 4.510 4.120 -0.002 0.000 0.278 602 V C 0.173 176.266 176.094 -0.002 0.000 1.037 602 V CA -0.652 61.648 62.300 -0.000 0.000 0.900 602 V CB 2.289 34.118 31.823 0.009 0.000 0.983 602 V HN 0.409 nan 8.190 nan 0.000 0.459 603 V N 4.703 124.631 119.914 0.024 0.000 2.350 603 V HA 0.771 4.890 4.120 -0.002 0.000 0.285 603 V C 0.622 176.633 176.094 -0.138 0.000 1.014 603 V CA 0.078 62.383 62.300 0.009 0.000 0.831 603 V CB 1.351 33.255 31.823 0.134 0.000 1.000 603 V HN 1.004 nan 8.190 nan 0.000 0.433 604 G N 2.413 111.050 108.800 -0.272 0.000 3.016 604 G HA2 0.369 4.328 3.960 -0.002 0.000 0.270 604 G HA3 0.369 4.328 3.960 -0.002 0.000 0.270 604 G C 0.299 174.782 174.900 -0.694 0.000 1.352 604 G CA -0.286 44.527 45.100 -0.478 0.000 1.060 604 G HN 0.511 nan 8.290 nan 0.000 0.538 605 D N -0.520 119.615 120.400 -0.442 0.000 2.149 605 D HA -0.140 4.499 4.640 -0.002 0.000 0.198 605 D C 2.104 178.279 176.300 -0.208 0.000 0.990 605 D CA 1.102 54.969 54.000 -0.222 0.000 0.839 605 D CB 0.117 40.924 40.800 0.011 0.000 0.948 605 D HN 0.513 nan 8.370 nan 0.000 0.460 606 K N 1.167 121.475 120.400 -0.154 0.000 1.987 606 K HA -0.247 4.072 4.320 -0.002 0.000 0.216 606 K C 1.918 178.417 176.600 -0.168 0.000 1.051 606 K CA 1.691 57.905 56.287 -0.121 0.000 0.942 606 K CB 0.011 32.464 32.500 -0.079 0.000 0.722 606 K HN -0.136 nan 8.250 nan 0.000 0.444 607 E N 0.410 120.497 120.200 -0.188 0.000 2.070 607 E HA -0.180 4.169 4.350 -0.002 0.000 0.197 607 E C 1.942 178.265 176.600 -0.461 0.000 1.004 607 E CA 1.624 57.908 56.400 -0.194 0.000 0.805 607 E CB -0.233 29.408 29.700 -0.097 0.000 0.744 607 E HN 0.168 nan 8.360 nan 0.000 0.451 608 V N 0.760 120.263 119.914 -0.684 0.000 2.720 608 V HA -0.230 3.889 4.120 -0.002 0.000 0.256 608 V C 1.986 177.769 176.094 -0.519 0.000 1.082 608 V CA 1.658 63.353 62.300 -1.008 0.000 1.101 608 V CB -0.392 31.042 31.823 -0.649 0.000 0.693 608 V HN 0.242 nan 8.190 nan 0.000 0.479 609 E N 0.698 120.713 120.200 -0.308 0.000 2.014 609 E HA -0.060 4.288 4.350 -0.002 0.000 0.190 609 E C 0.865 177.391 176.600 -0.123 0.000 0.980 609 E CA 0.890 57.190 56.400 -0.167 0.000 0.807 609 E CB -0.005 29.627 29.700 -0.113 0.000 0.770 609 E HN 0.589 nan 8.360 nan 0.000 0.451 610 N N 2.312 120.949 118.700 -0.105 0.000 3.052 610 N HA 0.022 4.760 4.740 -0.002 0.000 0.302 610 N C -0.707 174.790 175.510 -0.022 0.000 1.332 610 N CA 0.000 53.020 53.050 -0.050 0.000 1.129 610 N CB 0.130 38.596 38.487 -0.034 0.000 1.436 610 N HN 0.060 nan 8.380 nan 0.000 0.536 611 N N 1.426 120.115 118.700 -0.017 0.000 2.745 611 N HA -0.218 4.521 4.740 -0.002 0.000 0.271 611 N C -0.335 175.258 175.510 0.139 0.000 0.960 611 N CA 1.120 54.232 53.050 0.104 0.000 0.833 611 N CB -0.403 38.148 38.487 0.107 0.000 0.919 611 N HN 0.612 nan 8.380 nan 0.000 0.566 612 Q N -1.458 118.417 119.800 0.126 0.000 3.017 612 Q HA 0.815 5.153 4.340 -0.002 0.000 0.299 612 Q C -0.495 175.591 176.000 0.144 0.000 1.046 612 Q CA -0.997 54.870 55.803 0.106 0.000 0.821 612 Q CB 2.264 31.021 28.738 0.032 0.000 1.481 612 Q HN 0.154 nan 8.270 nan 0.000 0.494 613 V N -1.842 118.098 119.914 0.043 0.000 3.048 613 V HA 0.540 4.659 4.120 -0.002 0.000 0.303 613 V C -1.505 174.546 176.094 -0.071 0.000 1.214 613 V CA -1.004 61.278 62.300 -0.031 0.000 0.984 613 V CB 1.984 33.690 31.823 -0.196 0.000 1.054 613 V HN 0.779 nan 8.190 nan 0.000 0.430 614 N N 2.312 120.968 118.700 -0.073 0.000 2.439 614 N HA 0.494 5.232 4.740 -0.002 0.000 0.249 614 N C -0.718 174.745 175.510 -0.078 0.000 1.003 614 N CA -0.018 53.001 53.050 -0.052 0.000 0.942 614 N CB 1.585 40.054 38.487 -0.030 0.000 1.115 614 N HN 0.738 nan 8.380 nan 0.000 0.505 615 V N 3.644 123.526 119.914 -0.053 0.000 2.532 615 V HA 0.517 4.636 4.120 -0.002 0.000 0.295 615 V C 0.597 176.716 176.094 0.042 0.000 1.041 615 V CA -0.839 61.449 62.300 -0.020 0.000 0.926 615 V CB 1.728 33.580 31.823 0.049 0.000 0.992 615 V HN 0.521 nan 8.190 nan 0.000 0.457 616 R N 3.392 123.927 120.500 0.058 0.000 2.545 616 R HA 0.294 4.632 4.340 -0.002 0.000 0.289 616 R C -0.482 175.817 176.300 -0.001 0.000 1.327 616 R CA -0.485 55.631 56.100 0.027 0.000 1.040 616 R CB 1.488 31.793 30.300 0.009 0.000 1.176 616 R HN 0.984 nan 8.270 nan 0.000 0.518 617 Q N 3.650 123.431 119.800 -0.031 0.000 2.307 617 Q HA 0.029 4.367 4.340 -0.002 0.000 0.261 617 Q C -0.583 175.350 176.000 -0.111 0.000 1.051 617 Q CA -0.553 55.138 55.803 -0.188 0.000 0.911 617 Q CB 0.548 29.179 28.738 -0.179 0.000 1.227 617 Q HN 0.419 nan 8.270 nan 0.000 0.418 618 Y N 3.685 123.860 120.300 -0.208 0.000 2.354 618 Y HA -0.225 4.324 4.550 -0.002 0.000 0.415 618 Y C 1.037 176.881 175.900 -0.094 0.000 1.106 618 Y CA 2.120 60.140 58.100 -0.132 0.000 1.488 618 Y CB -0.802 37.576 38.460 -0.137 0.000 1.185 618 Y HN 1.021 nan 8.280 nan 0.000 0.407 619 G N 1.723 110.216 108.800 -0.512 0.000 3.435 619 G HA2 -0.182 3.776 3.960 -0.002 0.000 0.197 619 G HA3 -0.182 3.776 3.960 -0.002 0.000 0.197 619 G C 0.538 175.298 174.900 -0.233 0.000 1.497 619 G CA 0.260 45.080 45.100 -0.467 0.000 1.043 619 G HN 1.240 nan 8.290 nan 0.000 0.466 620 S N 0.398 116.011 115.700 -0.146 0.000 3.574 620 S HA 0.719 5.188 4.470 -0.002 0.000 0.212 620 S C 0.222 174.787 174.600 -0.058 0.000 1.056 620 S CA -0.154 57.993 58.200 -0.089 0.000 1.501 620 S CB 0.284 63.448 63.200 -0.060 0.000 0.931 620 S HN 0.492 nan 8.310 nan 0.000 0.630 621 Q N 2.000 121.780 119.800 -0.034 0.000 2.212 621 Q HA 0.333 4.672 4.340 -0.002 0.000 0.238 621 Q C -0.894 175.102 176.000 -0.008 0.000 0.955 621 Q CA -0.423 55.369 55.803 -0.019 0.000 0.906 621 Q CB 0.185 28.916 28.738 -0.012 0.000 1.215 621 Q HN 0.621 nan 8.270 nan 0.000 0.478 622 D N 2.430 122.828 120.400 -0.002 0.000 2.554 622 D HA -0.091 4.548 4.640 -0.002 0.000 0.251 622 D C 0.260 176.571 176.300 0.020 0.000 1.213 622 D CA 0.244 54.249 54.000 0.007 0.000 0.900 622 D CB 0.509 41.312 40.800 0.005 0.000 1.135 622 D HN 0.219 nan 8.370 nan 0.000 0.522 623 Q N 2.255 122.077 119.800 0.037 0.000 2.185 623 Q HA -0.058 4.281 4.340 -0.002 0.000 0.179 623 Q C 0.084 176.118 176.000 0.058 0.000 0.810 623 Q CA 0.603 56.443 55.803 0.060 0.000 1.021 623 Q CB -0.723 28.081 28.738 0.109 0.000 1.244 623 Q HN 0.474 nan 8.270 nan 0.000 0.404 624 E N -1.257 118.965 120.200 0.036 0.000 8.077 624 E HA -0.182 4.166 4.350 -0.002 0.000 0.162 624 E C -0.161 176.455 176.600 0.027 0.000 1.458 624 E CA 1.206 57.624 56.400 0.030 0.000 2.527 624 E CB -1.299 28.424 29.700 0.037 0.000 1.500 624 E HN 0.514 nan 8.360 nan 0.000 0.455 625 T N -2.440 112.128 114.554 0.023 0.000 2.881 625 T HA 0.744 5.092 4.350 -0.002 0.000 0.278 625 T C -0.050 174.672 174.700 0.037 0.000 0.982 625 T CA -0.622 61.488 62.100 0.016 0.000 0.989 625 T CB 1.238 70.112 68.868 0.009 0.000 1.058 625 T HN 0.559 nan 8.240 nan 0.000 0.529 626 V N 0.728 120.667 119.914 0.043 0.000 2.969 626 V HA 0.436 4.554 4.120 -0.002 0.000 0.304 626 V C -0.481 175.665 176.094 0.088 0.000 1.192 626 V CA -1.141 61.207 62.300 0.081 0.000 0.962 626 V CB 1.963 33.866 31.823 0.133 0.000 1.045 626 V HN 1.116 nan 8.190 nan 0.000 0.428 627 E N 3.076 123.331 120.200 0.093 0.000 2.413 627 E HA 0.059 4.408 4.350 -0.002 0.000 0.263 627 E C 1.063 177.742 176.600 0.132 0.000 1.015 627 E CA 0.480 56.935 56.400 0.091 0.000 0.916 627 E CB 0.864 30.607 29.700 0.071 0.000 0.947 627 E HN 0.608 nan 8.360 nan 0.000 0.440 628 K N 3.177 123.656 120.400 0.132 0.000 2.020 628 K HA -0.233 4.086 4.320 -0.002 0.000 0.212 628 K C 0.924 177.629 176.600 0.175 0.000 1.050 628 K CA 2.136 58.518 56.287 0.158 0.000 0.929 628 K CB -0.018 32.562 32.500 0.134 0.000 0.714 628 K HN 0.626 nan 8.250 nan 0.000 0.443 629 D N 0.478 120.954 120.400 0.126 0.000 2.144 629 D HA -0.158 4.480 4.640 -0.002 0.000 0.199 629 D C 1.804 178.195 176.300 0.151 0.000 0.984 629 D CA 1.105 55.175 54.000 0.116 0.000 0.834 629 D CB -0.129 40.717 40.800 0.075 0.000 0.955 629 D HN 0.407 nan 8.370 nan 0.000 0.465 630 E N 0.058 120.346 120.200 0.147 0.000 2.038 630 E HA -0.178 4.171 4.350 -0.002 0.000 0.195 630 E C 2.024 178.731 176.600 0.178 0.000 1.000 630 E CA 0.613 57.115 56.400 0.170 0.000 0.803 630 E CB -0.299 29.484 29.700 0.139 0.000 0.750 630 E HN 0.226 nan 8.360 nan 0.000 0.448 631 F N 1.875 121.858 119.950 0.055 0.000 2.065 631 F HA -0.239 4.287 4.527 -0.002 0.000 0.298 631 F C 2.075 177.848 175.800 -0.045 0.000 1.112 631 F CA 1.492 59.487 58.000 -0.008 0.000 1.212 631 F CB -0.329 38.656 39.000 -0.026 0.000 0.975 631 F HN -0.077 nan 8.300 nan 0.000 0.476 632 I N -0.470 119.996 120.570 -0.174 0.000 2.208 632 I HA -0.333 3.835 4.170 -0.002 0.000 0.245 632 I C 2.525 178.501 176.117 -0.236 0.000 1.097 632 I CA 1.616 62.754 61.300 -0.269 0.000 1.363 632 I CB -0.863 37.121 38.000 -0.026 0.000 1.051 632 I HN 0.516 nan 8.210 nan 0.000 0.413 633 W N 2.762 123.947 121.300 -0.192 0.000 2.379 633 W HA -0.196 4.462 4.660 -0.002 0.000 0.307 633 W C 2.204 178.609 176.519 -0.190 0.000 1.200 633 W CA 1.443 58.697 57.345 -0.151 0.000 1.297 633 W CB -0.491 28.916 29.460 -0.088 0.000 1.140 633 W HN 0.196 nan 8.180 nan 0.000 0.507 634 N N 1.509 120.081 118.700 -0.213 0.000 2.069 634 N HA -0.220 4.518 4.740 -0.002 0.000 0.191 634 N C 1.785 177.023 175.510 -0.453 0.000 1.031 634 N CA 1.995 54.875 53.050 -0.283 0.000 0.852 634 N CB -1.166 37.267 38.487 -0.090 0.000 1.018 634 N HN 0.245 nan 8.380 nan 0.000 0.423 635 L N 1.301 122.147 121.223 -0.628 0.000 1.976 635 L HA -0.088 4.251 4.340 -0.002 0.000 0.209 635 L C 2.084 178.681 176.870 -0.455 0.000 1.071 635 L CA 1.392 55.847 54.840 -0.642 0.000 0.746 635 L CB -0.792 40.669 42.059 -0.996 0.000 0.890 635 L HN -0.097 nan 8.230 nan 0.000 0.432 636 V N 0.169 119.800 119.914 -0.472 0.000 2.453 636 V HA -0.340 3.779 4.120 -0.002 0.000 0.252 636 V C 2.318 178.144 176.094 -0.446 0.000 1.068 636 V CA 2.069 64.131 62.300 -0.395 0.000 1.070 636 V CB -0.966 30.627 31.823 -0.383 0.000 0.664 636 V HN 0.623 nan 8.190 nan 0.000 0.461 637 D N -0.186 119.842 120.400 -0.619 0.000 2.103 637 D HA -0.202 4.436 4.640 -0.002 0.000 0.199 637 D C 2.241 178.342 176.300 -0.332 0.000 0.978 637 D CA 1.400 55.052 54.000 -0.580 0.000 0.829 637 D CB -0.111 40.228 40.800 -0.768 0.000 0.981 637 D HN 0.559 nan 8.370 nan 0.000 0.464 638 E N -0.151 119.889 120.200 -0.267 0.000 2.085 638 E HA -0.188 4.161 4.350 -0.002 0.000 0.194 638 E C 2.178 178.710 176.600 -0.114 0.000 0.994 638 E CA 0.970 57.284 56.400 -0.143 0.000 0.801 638 E CB -0.124 29.534 29.700 -0.069 0.000 0.743 638 E HN 0.408 nan 8.360 nan 0.000 0.453 639 I N 0.581 121.078 120.570 -0.121 0.000 2.133 639 I HA -0.254 3.915 4.170 -0.002 0.000 0.238 639 I C 2.936 178.969 176.117 -0.140 0.000 1.074 639 I CA 1.280 62.547 61.300 -0.053 0.000 1.342 639 I CB -0.387 37.585 38.000 -0.047 0.000 1.053 639 I HN 0.125 nan 8.210 nan 0.000 0.404 640 R N 0.759 121.146 120.500 -0.188 0.000 2.159 640 R HA -0.183 4.156 4.340 -0.002 0.000 0.237 640 R C 1.656 177.811 176.300 -0.242 0.000 1.131 640 R CA 1.419 57.396 56.100 -0.206 0.000 0.982 640 R CB 0.018 30.189 30.300 -0.216 0.000 0.868 640 R HN 0.232 nan 8.270 nan 0.000 0.453 641 L N 1.119 122.195 121.223 -0.245 0.000 2.640 641 L HA 0.194 4.533 4.340 -0.002 0.000 0.230 641 L C -0.036 176.641 176.870 -0.321 0.000 1.123 641 L CA 0.660 55.350 54.840 -0.251 0.000 0.900 641 L CB 0.019 41.962 42.059 -0.194 0.000 1.146 641 L HN 0.067 nan 8.230 nan 0.000 0.484 642 K N 0.444 120.608 120.400 -0.392 0.000 3.156 642 K HA -0.269 4.049 4.320 -0.002 0.000 0.266 642 K C 0.612 177.055 176.600 -0.262 0.000 0.966 642 K CA 0.684 56.658 56.287 -0.521 0.000 0.719 642 K CB -1.146 30.663 32.500 -1.151 0.000 1.333 642 K HN 0.325 nan 8.250 nan 0.000 0.468 643 K N 0.588 120.902 120.400 -0.142 0.000 2.132 643 K HA 0.163 4.481 4.320 -0.002 0.000 0.240 643 K C 0.361 176.965 176.600 0.007 0.000 1.036 643 K CA -0.058 56.138 56.287 -0.152 0.000 0.888 643 K CB 0.477 32.934 32.500 -0.071 0.000 1.071 643 K HN 0.312 nan 8.250 nan 0.000 0.502 644 H N -0.236 118.863 119.070 0.049 0.000 3.751 644 H HA 0.376 4.930 4.556 -0.002 0.000 0.287 644 H C -0.100 175.263 175.328 0.057 0.000 1.629 644 H CA -1.361 54.723 56.048 0.061 0.000 1.526 644 H CB 0.439 30.227 29.762 0.045 0.000 1.032 644 H HN 0.436 nan 8.280 nan 0.000 0.828 645 R N 0.000 120.634 120.500 0.224 0.000 2.786 645 R HA 0.000 4.339 4.340 -0.002 0.000 0.208 645 R CA 0.000 56.173 56.100 0.122 0.000 0.921 645 R CB 0.000 30.362 30.300 0.103 0.000 0.687 645 R HN 0.000 nan 8.270 nan 0.000 0.535