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 3lmw_1_A DATA FIRST_RESID 28 DATA SEQUENCE VSPKTYKDAD FYVAPTQQDV NYDLVDDFGA NGNDTSDDSN ALQRAINAIS DATA SEQUENCE RKPNGGTLLI PNGTYHFLGI QMKSNVHIRV ESDVIIKPTW NGDGKNHRLF DATA SEQUENCE EVGVNNIVRN FSFQGLGNGF LVDFKDSRDK NLAVFKLGDV RNYKISNFTI DATA SEQUENCE DDNKTIFASI LVDVTERNGR LHWSRNGIIE RIKQNNALFG YGLIQTYGAD DATA SEQUENCE NILFRNLHSE GGIALRMETD NLLMKNYKQG GIRNIFADNI RcSKGLAAVM DATA SEQUENCE FGPHFMKNGD VQVTNVSSVS cGSAVRSDSG FVELFSPTDE VHTRQSWKQA DATA SEQUENCE VESKLGRGcA QTPYARGNGG TRWAARVTQK DAcLDKAKLE YGIEPGSFGT DATA SEQUENCE VKVFDVTARF GYNADLKQDQ LDYFSTSNPM cKRVcLPTKE QWSKQGQIYI DATA SEQUENCE GPSLAAVIDT TPETSKYDYD VKTFNVKRIN FPVNSHKTID TNTESSRVcN DATA SEQUENCE YYGMSEcSSS RWERLEHHHH HH 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 28 V HA 0.000 nan 4.120 nan 0.000 0.244 28 V C 0.000 176.066 176.094 -0.046 0.000 1.182 28 V CA 0.000 62.279 62.300 -0.034 0.000 1.235 28 V CB 0.000 31.775 31.823 -0.079 0.000 1.184 29 S N 5.652 121.314 115.700 -0.063 0.000 2.568 29 S HA 0.820 5.271 4.470 -0.033 0.000 0.302 29 S C -2.835 171.569 174.600 -0.326 0.000 1.082 29 S CA -1.189 56.908 58.200 -0.171 0.000 1.009 29 S CB 1.940 65.066 63.200 -0.123 0.000 1.069 29 S HN 0.728 nan 8.310 nan 0.000 0.500 30 P HA 0.330 nan 4.420 nan 0.000 0.274 30 P C -0.756 176.390 177.300 -0.257 0.000 1.231 30 P CA -0.569 62.049 63.100 -0.803 0.000 0.790 30 P CB 0.467 31.568 31.700 -0.997 0.000 0.951 31 K N 0.674 121.054 120.400 -0.032 0.000 2.270 31 K HA 0.344 4.645 4.320 -0.033 0.000 0.276 31 K C 0.552 177.188 176.600 0.061 0.000 1.023 31 K CA -0.158 56.186 56.287 0.095 0.000 0.955 31 K CB 0.348 33.028 32.500 0.301 0.000 0.975 31 K HN 0.530 nan 8.250 nan 0.000 0.471 32 T N -0.505 114.025 114.554 -0.039 0.000 2.948 32 T HA 0.631 4.962 4.350 -0.033 0.000 0.285 32 T C -0.701 173.904 174.700 -0.159 0.000 1.019 32 T CA -0.740 61.233 62.100 -0.211 0.000 1.013 32 T CB 0.671 69.408 68.868 -0.219 0.000 1.117 32 T HN 0.623 nan 8.240 nan 0.000 0.533 33 Y N -2.167 118.031 120.300 -0.170 0.000 2.779 33 Y HA 0.690 5.221 4.550 -0.032 0.000 0.340 33 Y C -1.408 174.431 175.900 -0.102 0.000 1.252 33 Y CA -1.662 56.317 58.100 -0.201 0.000 1.072 33 Y CB 0.895 39.155 38.460 -0.333 0.000 1.343 33 Y HN 1.015 nan 8.280 nan 0.000 0.450 34 K N -0.528 119.972 120.400 0.166 0.000 2.443 34 K HA 0.520 4.820 4.320 -0.033 0.000 0.251 34 K C -1.062 175.685 176.600 0.245 0.000 0.972 34 K CA -0.698 55.671 56.287 0.137 0.000 0.833 34 K CB 2.455 34.964 32.500 0.014 0.000 1.317 34 K HN 0.470 nan 8.250 nan 0.000 0.441 35 D N 1.191 121.729 120.400 0.229 0.000 2.182 35 D HA -0.161 4.459 4.640 -0.033 0.000 0.201 35 D C 1.676 178.098 176.300 0.204 0.000 0.986 35 D CA 1.937 56.094 54.000 0.263 0.000 0.847 35 D CB -0.279 40.623 40.800 0.170 0.000 0.942 35 D HN 0.675 nan 8.370 nan 0.000 0.467 36 A N 0.724 123.591 122.820 0.079 0.000 2.067 36 A HA -0.145 4.156 4.320 -0.033 0.000 0.219 36 A C 1.633 179.176 177.584 -0.069 0.000 1.158 36 A CA 1.093 53.129 52.037 -0.002 0.000 0.661 36 A CB -0.176 18.804 19.000 -0.034 0.000 0.801 36 A HN 0.013 nan 8.150 nan 0.000 0.452 37 D N -0.895 119.419 120.400 -0.144 0.000 2.221 37 D HA -0.117 4.503 4.640 -0.033 0.000 0.204 37 D C 1.102 177.075 176.300 -0.545 0.000 0.982 37 D CA 1.267 55.030 54.000 -0.396 0.000 0.857 37 D CB -0.161 40.287 40.800 -0.587 0.000 0.934 37 D HN 0.616 nan 8.370 nan 0.000 0.475 38 F N -1.951 117.980 119.950 -0.032 0.000 2.557 38 F HA 0.153 4.660 4.527 -0.034 0.000 0.278 38 F C 0.480 176.296 175.800 0.027 0.000 1.051 38 F CA -0.433 57.547 58.000 -0.033 0.000 1.357 38 F CB 0.369 39.312 39.000 -0.095 0.000 1.104 38 F HN -0.231 nan 8.300 nan 0.000 0.654 39 Y N 0.452 120.808 120.300 0.093 0.000 2.433 39 Y HA 0.651 5.179 4.550 -0.036 0.000 0.337 39 Y C -1.667 174.247 175.900 0.024 0.000 1.026 39 Y CA -1.908 56.211 58.100 0.031 0.000 1.037 39 Y CB 1.664 40.113 38.460 -0.018 0.000 1.245 39 Y HN -0.264 nan 8.280 nan 0.000 0.443 40 V N 6.105 125.491 119.914 -0.880 0.000 2.407 40 V HA 0.784 4.885 4.120 -0.033 0.000 0.291 40 V C 0.176 175.778 176.094 -0.819 0.000 1.018 40 V CA -0.558 61.375 62.300 -0.612 0.000 0.842 40 V CB 0.876 32.527 31.823 -0.287 0.000 0.996 40 V HN 1.001 nan 8.190 nan 0.000 0.426 41 A N 7.389 129.883 122.820 -0.542 0.000 2.332 41 A HA 0.795 5.095 4.320 -0.033 0.000 0.258 41 A C -1.948 175.524 177.584 -0.187 0.000 1.087 41 A CA -1.143 50.726 52.037 -0.279 0.000 0.802 41 A CB -0.108 18.867 19.000 -0.041 0.000 1.042 41 A HN 0.684 nan 8.150 nan 0.000 0.489 42 P HA 0.229 nan 4.420 nan 0.000 0.272 42 P C 0.017 177.251 177.300 -0.111 0.000 1.223 42 P CA 0.076 63.094 63.100 -0.136 0.000 0.784 42 P CB 0.738 32.306 31.700 -0.220 0.000 0.923 43 T N -0.973 113.536 114.554 -0.075 0.000 2.975 43 T HA 0.138 4.468 4.350 -0.033 0.000 0.257 43 T C 0.559 175.231 174.700 -0.047 0.000 1.003 43 T CA 0.240 62.305 62.100 -0.059 0.000 0.932 43 T CB 0.364 69.202 68.868 -0.049 0.000 1.087 43 T HN 0.400 nan 8.240 nan 0.000 0.512 44 Q N 0.714 120.488 119.800 -0.042 0.000 2.484 44 Q HA 0.659 4.980 4.340 -0.033 0.000 0.285 44 Q C -1.410 174.572 176.000 -0.030 0.000 1.097 44 Q CA -0.806 54.979 55.803 -0.030 0.000 0.802 44 Q CB 2.556 31.284 28.738 -0.017 0.000 1.444 44 Q HN 0.197 nan 8.270 nan 0.000 0.429 45 Q N 0.800 120.584 119.800 -0.027 0.000 2.430 45 Q HA 0.192 4.513 4.340 -0.033 0.000 0.253 45 Q C -1.333 174.647 176.000 -0.033 0.000 0.945 45 Q CA -0.198 55.588 55.803 -0.028 0.000 0.964 45 Q CB 1.179 29.888 28.738 -0.048 0.000 1.460 45 Q HN 0.646 nan 8.270 nan 0.000 0.428 46 D N 1.711 122.091 120.400 -0.033 0.000 2.338 46 D HA 0.183 4.804 4.640 -0.033 0.000 0.208 46 D C -0.193 176.057 176.300 -0.083 0.000 0.997 46 D CA 0.598 54.574 54.000 -0.041 0.000 0.880 46 D CB 1.188 41.976 40.800 -0.019 0.000 0.980 46 D HN 0.179 nan 8.370 nan 0.000 0.509 47 V N 1.196 121.031 119.914 -0.132 0.000 3.012 47 V HA 0.428 4.528 4.120 -0.033 0.000 0.307 47 V C -1.862 174.038 176.094 -0.323 0.000 1.166 47 V CA -0.851 61.279 62.300 -0.283 0.000 0.974 47 V CB 2.502 34.089 31.823 -0.393 0.000 1.040 47 V HN 0.234 nan 8.190 nan 0.000 0.428 48 N N 3.992 122.451 118.700 -0.400 0.000 2.454 48 N HA 0.455 5.176 4.740 -0.033 0.000 0.291 48 N C -2.017 173.348 175.510 -0.241 0.000 1.079 48 N CA -0.465 52.419 53.050 -0.276 0.000 0.893 48 N CB 1.674 40.091 38.487 -0.117 0.000 1.512 48 N HN 0.389 nan 8.380 nan 0.000 0.497 49 Y N -0.176 120.171 120.300 0.079 0.000 2.630 49 Y HA 0.514 5.039 4.550 -0.041 0.000 0.337 49 Y C -0.019 175.939 175.900 0.096 0.000 1.051 49 Y CA -1.032 57.143 58.100 0.125 0.000 1.121 49 Y CB 1.397 40.044 38.460 0.312 0.000 1.299 49 Y HN 0.493 nan 8.280 nan 0.000 0.498 50 D N 1.115 121.707 120.400 0.320 0.000 2.391 50 D HA 0.120 4.740 4.640 -0.033 0.000 0.245 50 D C 0.578 177.008 176.300 0.217 0.000 1.069 50 D CA -0.358 53.754 54.000 0.185 0.000 0.831 50 D CB 2.131 43.005 40.800 0.123 0.000 1.204 50 D HN 0.535 nan 8.370 nan 0.000 0.503 51 L N 4.556 125.862 121.223 0.138 0.000 2.043 51 L HA -0.197 4.123 4.340 -0.033 0.000 0.212 51 L C 1.814 178.795 176.870 0.185 0.000 1.075 51 L CA 1.890 56.809 54.840 0.132 0.000 0.752 51 L CB -0.319 41.717 42.059 -0.037 0.000 0.891 51 L HN 0.456 nan 8.230 nan 0.000 0.432 52 V N -0.875 119.135 119.914 0.160 0.000 2.300 52 V HA -0.175 3.925 4.120 -0.033 0.000 0.241 52 V C 2.221 178.376 176.094 0.102 0.000 1.034 52 V CA 1.622 64.018 62.300 0.160 0.000 1.021 52 V CB -0.794 31.132 31.823 0.171 0.000 0.662 52 V HN 0.338 nan 8.190 nan 0.000 0.458 53 D N 0.447 120.894 120.400 0.079 0.000 2.123 53 D HA -0.170 4.451 4.640 -0.033 0.000 0.196 53 D C 1.781 178.059 176.300 -0.038 0.000 0.992 53 D CA 1.620 55.639 54.000 0.030 0.000 0.833 53 D CB -0.251 40.572 40.800 0.038 0.000 0.954 53 D HN 0.444 nan 8.370 nan 0.000 0.455 54 D N -1.728 118.632 120.400 -0.067 0.000 2.366 54 D HA 0.053 4.674 4.640 -0.033 0.000 0.205 54 D C 0.888 176.746 176.300 -0.737 0.000 1.022 54 D CA 0.265 54.038 54.000 -0.379 0.000 0.868 54 D CB 0.434 41.001 40.800 -0.389 0.000 0.953 54 D HN 0.231 nan 8.370 nan 0.000 0.514 55 F N -0.858 119.049 119.950 -0.072 0.000 2.925 55 F HA 0.246 4.762 4.527 -0.018 0.000 0.359 55 F C 1.497 177.290 175.800 -0.012 0.000 1.038 55 F CA 0.130 58.088 58.000 -0.072 0.000 1.130 55 F CB 1.182 40.126 39.000 -0.095 0.000 1.093 55 F HN -0.049 nan 8.300 nan 0.000 0.561 56 G N 1.255 110.138 108.800 0.138 0.000 2.131 56 G HA2 -0.057 3.883 3.960 -0.033 0.000 0.223 56 G HA3 -0.057 3.883 3.960 -0.033 0.000 0.223 56 G C 0.346 175.336 174.900 0.150 0.000 0.990 56 G CA -0.164 45.002 45.100 0.110 0.000 0.671 56 G HN 0.619 nan 8.290 nan 0.000 0.521 57 A N -0.175 122.768 122.820 0.204 0.000 2.483 57 A HA 0.518 4.819 4.320 -0.033 0.000 0.238 57 A C 0.541 178.274 177.584 0.248 0.000 1.070 57 A CA 0.612 52.809 52.037 0.267 0.000 0.770 57 A CB 0.345 19.552 19.000 0.344 0.000 1.008 57 A HN 0.749 nan 8.150 nan 0.000 0.497 58 N N 1.476 120.303 118.700 0.212 0.000 2.518 58 N HA 0.332 5.053 4.740 -0.033 0.000 0.254 58 N C 0.637 176.141 175.510 -0.009 0.000 0.979 58 N CA 0.227 53.339 53.050 0.103 0.000 0.930 58 N CB 1.351 39.871 38.487 0.055 0.000 1.152 58 N HN 0.604 nan 8.380 nan 0.000 0.505 59 G N 2.251 110.994 108.800 -0.095 0.000 3.026 59 G HA2 -0.069 3.871 3.960 -0.033 0.000 0.208 59 G HA3 -0.069 3.871 3.960 -0.033 0.000 0.208 59 G C 0.754 175.482 174.900 -0.287 0.000 1.169 59 G CA -0.071 44.743 45.100 -0.477 0.000 0.788 59 G HN 0.520 nan 8.290 nan 0.000 0.533 60 N N 0.112 118.730 118.700 -0.135 0.000 2.297 60 N HA 0.081 4.801 4.740 -0.033 0.000 0.208 60 N C 0.305 175.783 175.510 -0.053 0.000 1.176 60 N CA 0.366 53.369 53.050 -0.078 0.000 0.882 60 N CB 0.867 39.330 38.487 -0.040 0.000 1.134 60 N HN 0.498 nan 8.380 nan 0.000 0.489 61 D N -0.822 119.550 120.400 -0.047 0.000 2.570 61 D HA 0.203 4.823 4.640 -0.033 0.000 0.266 61 D C 0.660 176.937 176.300 -0.039 0.000 1.182 61 D CA -0.088 53.890 54.000 -0.037 0.000 1.088 61 D CB -0.316 40.465 40.800 -0.032 0.000 1.186 61 D HN -0.038 nan 8.370 nan 0.000 0.618 62 T N -3.233 111.273 114.554 -0.080 0.000 3.296 62 T HA 0.340 4.670 4.350 -0.033 0.000 0.285 62 T C 0.334 174.835 174.700 -0.332 0.000 1.014 62 T CA -0.317 61.663 62.100 -0.200 0.000 0.920 62 T CB -1.019 67.755 68.868 -0.157 0.000 1.143 62 T HN 0.468 nan 8.240 nan 0.000 0.522 63 S N 0.577 116.175 115.700 -0.169 0.000 2.624 63 S HA 0.428 4.879 4.470 -0.033 0.000 0.263 63 S C -0.246 174.292 174.600 -0.103 0.000 1.287 63 S CA -0.685 57.444 58.200 -0.118 0.000 0.990 63 S CB 0.779 63.960 63.200 -0.033 0.000 0.950 63 S HN 0.284 nan 8.310 nan 0.000 0.561 64 D N -0.193 120.186 120.400 -0.034 0.000 2.304 64 D HA 0.217 4.837 4.640 -0.033 0.000 0.250 64 D C -0.267 176.109 176.300 0.127 0.000 1.107 64 D CA -0.242 53.788 54.000 0.050 0.000 0.885 64 D CB 0.774 41.601 40.800 0.045 0.000 1.192 64 D HN 0.518 nan 8.370 nan 0.000 0.436 65 D N 2.015 122.550 120.400 0.224 0.000 2.440 65 D HA 0.037 4.658 4.640 -0.033 0.000 0.216 65 D C 1.230 177.792 176.300 0.436 0.000 1.150 65 D CA -0.011 54.193 54.000 0.341 0.000 0.832 65 D CB 0.630 41.694 40.800 0.439 0.000 0.992 65 D HN 0.197 nan 8.370 nan 0.000 0.502 66 S N 1.327 117.229 115.700 0.336 0.000 2.348 66 S HA -0.143 4.308 4.470 -0.033 0.000 0.221 66 S C 1.802 176.457 174.600 0.092 0.000 1.033 66 S CA 0.933 59.272 58.200 0.231 0.000 1.010 66 S CB 0.006 63.292 63.200 0.143 0.000 0.891 66 S HN 0.279 nan 8.310 nan 0.000 0.442 67 N N 2.148 120.895 118.700 0.079 0.000 2.007 67 N HA -0.121 4.600 4.740 -0.033 0.000 0.197 67 N C 1.937 177.463 175.510 0.027 0.000 1.050 67 N CA 1.530 54.604 53.050 0.039 0.000 0.856 67 N CB -1.101 37.412 38.487 0.044 0.000 1.050 67 N HN 0.382 nan 8.380 nan 0.000 0.423 68 A N 1.431 124.297 122.820 0.076 0.000 1.894 68 A HA -0.235 4.066 4.320 -0.033 0.000 0.220 68 A C 2.255 179.790 177.584 -0.082 0.000 1.237 68 A CA 2.080 54.163 52.037 0.076 0.000 0.660 68 A CB -1.217 17.882 19.000 0.165 0.000 0.835 68 A HN 0.313 nan 8.150 nan 0.000 0.461 69 L N -0.845 120.331 121.223 -0.078 0.000 2.012 69 L HA -0.204 4.116 4.340 -0.033 0.000 0.210 69 L C 2.500 179.202 176.870 -0.281 0.000 1.073 69 L CA 2.921 57.601 54.840 -0.266 0.000 0.748 69 L CB -0.928 40.825 42.059 -0.510 0.000 0.891 69 L HN 0.547 nan 8.230 nan 0.000 0.431 70 Q N -0.618 119.071 119.800 -0.185 0.000 2.167 70 Q HA -0.142 4.179 4.340 -0.033 0.000 0.202 70 Q C 2.367 178.254 176.000 -0.189 0.000 0.970 70 Q CA 1.514 57.223 55.803 -0.158 0.000 0.855 70 Q CB -0.092 28.592 28.738 -0.091 0.000 0.911 70 Q HN 0.446 nan 8.270 nan 0.000 0.438 71 R N -0.775 119.605 120.500 -0.200 0.000 2.092 71 R HA -0.034 4.287 4.340 -0.033 0.000 0.231 71 R C 2.161 178.151 176.300 -0.518 0.000 1.119 71 R CA 1.060 57.046 56.100 -0.190 0.000 0.970 71 R CB -0.357 29.942 30.300 -0.001 0.000 0.864 71 R HN 0.317 nan 8.270 nan 0.000 0.440 72 A N 1.147 123.331 122.820 -1.060 0.000 1.898 72 A HA -0.136 4.164 4.320 -0.033 0.000 0.216 72 A C 2.120 179.360 177.584 -0.574 0.000 1.181 72 A CA 1.145 52.213 52.037 -1.615 0.000 0.620 72 A CB -0.420 17.740 19.000 -1.400 0.000 0.819 72 A HN 0.169 nan 8.150 nan 0.000 0.442 73 I N 0.105 120.460 120.570 -0.358 0.000 2.179 73 I HA -0.272 3.878 4.170 -0.033 0.000 0.242 73 I C 2.191 178.245 176.117 -0.106 0.000 1.088 73 I CA 1.258 62.455 61.300 -0.172 0.000 1.357 73 I CB -0.390 37.528 38.000 -0.138 0.000 1.051 73 I HN 0.299 nan 8.210 nan 0.000 0.409 74 N N 1.149 119.778 118.700 -0.118 0.000 2.058 74 N HA -0.155 4.565 4.740 -0.033 0.000 0.191 74 N C 1.902 177.413 175.510 0.002 0.000 1.037 74 N CA 1.731 54.750 53.050 -0.052 0.000 0.848 74 N CB -0.605 37.853 38.487 -0.048 0.000 1.021 74 N HN 0.351 nan 8.380 nan 0.000 0.422 75 A N 0.908 123.741 122.820 0.020 0.000 1.940 75 A HA -0.096 4.204 4.320 -0.033 0.000 0.219 75 A C 2.334 180.038 177.584 0.200 0.000 1.176 75 A CA 1.044 53.169 52.037 0.146 0.000 0.631 75 A CB -0.693 18.468 19.000 0.268 0.000 0.814 75 A HN 0.257 nan 8.150 nan 0.000 0.446 76 I N -1.244 119.424 120.570 0.162 0.000 2.286 76 I HA -0.155 3.996 4.170 -0.033 0.000 0.245 76 I C 2.701 178.868 176.117 0.083 0.000 1.104 76 I CA 1.438 62.833 61.300 0.158 0.000 1.397 76 I CB -0.126 37.946 38.000 0.121 0.000 1.072 76 I HN 0.360 nan 8.210 nan 0.000 0.417 77 S N 0.287 116.015 115.700 0.048 0.000 2.481 77 S HA -0.089 4.361 4.470 -0.033 0.000 0.231 77 S C 2.154 176.774 174.600 0.033 0.000 0.996 77 S CA 0.678 58.896 58.200 0.030 0.000 0.942 77 S CB -0.206 62.997 63.200 0.005 0.000 0.768 77 S HN 0.210 nan 8.310 nan 0.000 0.520 78 R N 1.631 122.158 120.500 0.047 0.000 2.117 78 R HA 0.052 4.372 4.340 -0.033 0.000 0.243 78 R C 0.328 176.655 176.300 0.045 0.000 1.143 78 R CA 0.987 57.114 56.100 0.046 0.000 0.968 78 R CB -0.446 29.893 30.300 0.065 0.000 0.863 78 R HN 0.337 nan 8.270 nan 0.000 0.444 79 K N 1.211 121.642 120.400 0.053 0.000 2.322 79 K HA 0.082 4.383 4.320 -0.033 0.000 0.283 79 K C -1.662 174.957 176.600 0.031 0.000 1.042 79 K CA -1.696 54.616 56.287 0.041 0.000 0.958 79 K CB 0.626 33.150 32.500 0.039 0.000 0.984 79 K HN -0.037 nan 8.250 nan 0.000 0.473 80 P HA -0.189 nan 4.420 nan 0.000 0.218 80 P C 0.093 177.407 177.300 0.024 0.000 1.150 80 P CA 1.669 64.781 63.100 0.020 0.000 0.841 80 P CB 0.258 31.967 31.700 0.014 0.000 0.784 81 N N -2.142 116.573 118.700 0.025 0.000 2.184 81 N HA 0.255 4.975 4.740 -0.033 0.000 0.206 81 N C 1.065 176.605 175.510 0.050 0.000 1.151 81 N CA 0.474 53.543 53.050 0.032 0.000 0.878 81 N CB 0.737 39.234 38.487 0.017 0.000 1.014 81 N HN 0.073 nan 8.380 nan 0.000 0.512 82 G N 0.324 109.152 108.800 0.046 0.000 2.574 82 G HA2 0.021 3.962 3.960 -0.033 0.000 0.286 82 G HA3 0.021 3.962 3.960 -0.033 0.000 0.286 82 G C 0.242 175.169 174.900 0.044 0.000 1.212 82 G CA -0.190 44.945 45.100 0.058 0.000 0.979 82 G HN 0.764 nan 8.290 nan 0.000 0.557 83 G N -3.153 105.702 108.800 0.091 0.000 2.351 83 G HA2 0.707 4.648 3.960 -0.033 0.000 0.279 83 G HA3 0.707 4.648 3.960 -0.033 0.000 0.279 83 G C -0.289 174.667 174.900 0.094 0.000 1.297 83 G CA 0.764 45.894 45.100 0.050 0.000 0.886 83 G HN 2.567 nan 8.290 nan 0.000 0.493 84 T N -2.037 112.526 114.554 0.015 0.000 2.918 84 T HA 0.754 5.085 4.350 -0.033 0.000 0.286 84 T C -0.868 173.835 174.700 0.004 0.000 1.026 84 T CA -0.617 61.496 62.100 0.021 0.000 1.031 84 T CB 1.947 70.808 68.868 -0.012 0.000 1.046 84 T HN 1.672 nan 8.240 nan 0.000 0.479 85 L N 2.491 123.707 121.223 -0.012 0.000 2.409 85 L HA 0.742 5.062 4.340 -0.033 0.000 0.272 85 L C -1.490 175.338 176.870 -0.069 0.000 0.980 85 L CA -1.038 53.807 54.840 0.008 0.000 0.826 85 L CB 1.831 43.876 42.059 -0.023 0.000 1.268 85 L HN 0.844 nan 8.230 nan 0.000 0.407 86 L N 6.074 127.279 121.223 -0.030 0.000 2.275 86 L HA 0.586 4.907 4.340 -0.033 0.000 0.288 86 L C -0.873 175.939 176.870 -0.097 0.000 1.046 86 L CA 0.121 54.919 54.840 -0.069 0.000 0.805 86 L CB 0.888 42.935 42.059 -0.020 0.000 1.193 86 L HN 0.604 nan 8.230 nan 0.000 0.426 87 I N 8.224 128.684 120.570 -0.182 0.000 2.306 87 I HA 0.347 4.497 4.170 -0.033 0.000 0.288 87 I C -2.080 173.974 176.117 -0.104 0.000 1.036 87 I CA -1.747 59.419 61.300 -0.223 0.000 1.221 87 I CB 1.033 38.816 38.000 -0.361 0.000 1.385 87 I HN 0.523 nan 8.210 nan 0.000 0.472 88 P HA 0.170 nan 4.420 nan 0.000 0.284 88 P C -0.793 176.640 177.300 0.223 0.000 1.258 88 P CA -0.691 62.471 63.100 0.103 0.000 0.824 88 P CB 0.587 32.354 31.700 0.113 0.000 1.038 89 N N 0.578 119.372 118.700 0.157 0.000 2.052 89 N HA 0.170 4.891 4.740 -0.033 0.000 0.283 89 N C 0.928 176.522 175.510 0.140 0.000 1.272 89 N CA 1.832 54.972 53.050 0.150 0.000 0.810 89 N CB -0.378 38.167 38.487 0.096 0.000 1.042 89 N HN 0.821 nan 8.380 nan 0.000 0.483 90 G N 0.304 109.143 108.800 0.066 0.000 2.369 90 G HA2 0.140 4.080 3.960 -0.033 0.000 0.293 90 G HA3 0.140 4.080 3.960 -0.033 0.000 0.293 90 G C -1.504 173.190 174.900 -0.343 0.000 1.301 90 G CA -0.819 44.166 45.100 -0.191 0.000 0.913 90 G HN 0.435 nan 8.290 nan 0.000 0.540 91 T N 1.002 115.222 114.554 -0.556 0.000 2.786 91 T HA 0.679 5.009 4.350 -0.033 0.000 0.283 91 T C -1.179 173.150 174.700 -0.618 0.000 0.992 91 T CA -0.024 61.833 62.100 -0.406 0.000 0.954 91 T CB 0.747 69.501 68.868 -0.191 0.000 0.934 91 T HN 0.422 nan 8.240 nan 0.000 0.440 92 Y N 1.014 121.170 120.300 -0.241 0.000 2.549 92 Y HA 0.561 5.094 4.550 -0.028 0.000 0.339 92 Y C 0.228 175.741 175.900 -0.645 0.000 1.053 92 Y CA -1.163 56.681 58.100 -0.428 0.000 1.105 92 Y CB 1.369 39.404 38.460 -0.708 0.000 1.258 92 Y HN 0.618 nan 8.280 nan 0.000 0.478 93 H N 1.400 120.221 119.070 -0.416 0.000 2.539 93 H HA 0.544 5.079 4.556 -0.035 0.000 0.332 93 H C -1.495 173.642 175.328 -0.318 0.000 1.031 93 H CA -0.696 55.178 56.048 -0.291 0.000 1.206 93 H CB 0.649 30.354 29.762 -0.096 0.000 1.446 93 H HN 0.339 nan 8.280 nan 0.000 0.496 94 F N 2.385 122.396 119.950 0.102 0.000 2.588 94 F HA 0.609 5.125 4.527 -0.018 0.000 0.314 94 F C -0.929 174.802 175.800 -0.115 0.000 1.069 94 F CA -1.108 56.898 58.000 0.011 0.000 0.931 94 F CB 1.679 40.686 39.000 0.012 0.000 1.260 94 F HN 0.298 nan 8.300 nan 0.000 0.465 95 L N 0.530 121.795 121.223 0.071 0.000 2.592 95 L HA 0.615 4.935 4.340 -0.033 0.000 0.258 95 L C 0.163 176.968 176.870 -0.109 0.000 0.926 95 L CA -0.000 54.780 54.840 -0.100 0.000 0.885 95 L CB 2.243 44.217 42.059 -0.141 0.000 1.380 95 L HN 0.800 nan 8.230 nan 0.000 0.415 96 G N 3.722 112.433 108.800 -0.149 0.000 2.321 96 G HA2 -0.297 3.643 3.960 -0.033 0.000 0.287 96 G HA3 -0.297 3.643 3.960 -0.033 0.000 0.287 96 G C 0.181 175.037 174.900 -0.074 0.000 1.018 96 G CA 0.711 45.745 45.100 -0.109 0.000 0.855 96 G HN 0.503 nan 8.290 nan 0.000 0.507 97 I N 0.240 120.776 120.570 -0.056 0.000 2.588 97 I HA 0.160 4.310 4.170 -0.033 0.000 0.283 97 I C 0.583 176.687 176.117 -0.021 0.000 1.119 97 I CA 0.350 61.639 61.300 -0.017 0.000 1.419 97 I CB 0.920 38.941 38.000 0.035 0.000 1.394 97 I HN 0.104 nan 8.210 nan 0.000 0.562 98 Q N 7.236 127.004 119.800 -0.054 0.000 2.431 98 Q HA 0.378 4.698 4.340 -0.033 0.000 0.249 98 Q C -0.465 175.469 176.000 -0.110 0.000 1.025 98 Q CA -0.641 55.114 55.803 -0.079 0.000 0.835 98 Q CB 1.288 29.979 28.738 -0.078 0.000 1.207 98 Q HN 0.473 nan 8.270 nan 0.000 0.490 99 M N 1.387 120.889 119.600 -0.164 0.000 2.207 99 M HA 0.253 4.713 4.480 -0.033 0.000 0.311 99 M C 0.335 176.494 176.300 -0.236 0.000 1.127 99 M CA 0.701 55.846 55.300 -0.257 0.000 1.181 99 M CB 0.001 32.238 32.600 -0.606 0.000 1.409 99 M HN 0.273 nan 8.290 nan 0.000 0.461 100 K N -0.156 120.129 120.400 -0.192 0.000 2.512 100 K HA 0.438 4.738 4.320 -0.033 0.000 0.263 100 K C -0.812 175.755 176.600 -0.055 0.000 0.966 100 K CA -0.700 55.520 56.287 -0.112 0.000 0.851 100 K CB 2.008 34.468 32.500 -0.066 0.000 1.395 100 K HN 0.568 nan 8.250 nan 0.000 0.440 101 S N 2.016 117.698 115.700 -0.030 0.000 2.572 101 S HA 0.035 4.486 4.470 -0.033 0.000 0.279 101 S C 0.355 174.974 174.600 0.032 0.000 1.341 101 S CA -0.247 57.963 58.200 0.016 0.000 1.043 101 S CB 0.048 63.255 63.200 0.011 0.000 0.887 101 S HN 0.760 nan 8.310 nan 0.000 0.516 102 N N -1.009 117.717 118.700 0.043 0.000 2.725 102 N HA -0.149 4.571 4.740 -0.033 0.000 0.249 102 N C -0.882 174.622 175.510 -0.009 0.000 1.103 102 N CA 0.486 53.566 53.050 0.049 0.000 0.707 102 N CB -1.608 36.937 38.487 0.096 0.000 1.043 102 N HN 0.325 nan 8.380 nan 0.000 0.553 103 V N 1.381 121.237 119.914 -0.097 0.000 2.427 103 V HA 0.284 4.384 4.120 -0.033 0.000 0.286 103 V C 0.329 176.187 176.094 -0.392 0.000 1.034 103 V CA -0.457 61.794 62.300 -0.081 0.000 0.893 103 V CB 1.851 33.708 31.823 0.058 0.000 0.982 103 V HN 0.191 nan 8.190 nan 0.000 0.452 104 H N 5.161 124.219 119.070 -0.020 0.000 2.887 104 H HA 0.449 4.989 4.556 -0.026 0.000 0.300 104 H C -0.551 174.663 175.328 -0.191 0.000 1.038 104 H CA -0.379 55.592 56.048 -0.128 0.000 1.352 104 H CB 1.566 31.279 29.762 -0.082 0.000 1.473 104 H HN 0.490 nan 8.280 nan 0.000 0.503 105 I N 3.559 123.974 120.570 -0.259 0.000 2.416 105 I HA 0.155 4.306 4.170 -0.033 0.000 0.288 105 I C 0.531 176.388 176.117 -0.432 0.000 1.051 105 I CA 0.079 61.125 61.300 -0.423 0.000 1.375 105 I CB 0.540 38.082 38.000 -0.764 0.000 1.407 105 I HN 0.266 nan 8.210 nan 0.000 0.516 106 R N 5.169 125.481 120.500 -0.313 0.000 2.445 106 R HA 0.680 5.001 4.340 -0.033 0.000 0.308 106 R C -1.313 174.807 176.300 -0.299 0.000 0.961 106 R CA -0.755 55.200 56.100 -0.242 0.000 0.862 106 R CB 2.171 32.398 30.300 -0.122 0.000 1.144 106 R HN 0.337 nan 8.270 nan 0.000 0.447 107 V N 2.666 122.401 119.914 -0.299 0.000 2.444 107 V HA 0.204 4.305 4.120 -0.033 0.000 0.294 107 V C 0.075 176.086 176.094 -0.139 0.000 1.022 107 V CA -0.897 61.181 62.300 -0.370 0.000 0.850 107 V CB 1.577 32.873 31.823 -0.878 0.000 0.992 107 V HN 0.740 nan 8.190 nan 0.000 0.426 108 E N 1.839 121.999 120.200 -0.067 0.000 2.418 108 E HA 0.046 4.377 4.350 -0.033 0.000 0.261 108 E C 1.097 177.766 176.600 0.114 0.000 1.070 108 E CA 0.481 56.904 56.400 0.037 0.000 0.931 108 E CB 0.769 30.499 29.700 0.050 0.000 0.954 108 E HN 0.889 nan 8.360 nan 0.000 0.439 109 S N 1.476 117.263 115.700 0.146 0.000 2.547 109 S HA -0.100 4.350 4.470 -0.033 0.000 0.235 109 S C 0.702 175.418 174.600 0.193 0.000 0.980 109 S CA 0.758 59.077 58.200 0.199 0.000 0.941 109 S CB 0.253 63.549 63.200 0.159 0.000 0.763 109 S HN 0.459 nan 8.310 nan 0.000 0.532 110 D N 1.166 121.660 120.400 0.156 0.000 2.424 110 D HA 0.265 4.886 4.640 -0.033 0.000 0.220 110 D C -0.400 175.988 176.300 0.147 0.000 1.150 110 D CA -0.008 54.078 54.000 0.143 0.000 0.831 110 D CB 1.024 41.889 40.800 0.107 0.000 0.981 110 D HN 0.229 nan 8.370 nan 0.000 0.500 111 V N 1.871 121.895 119.914 0.184 0.000 2.715 111 V HA 0.136 4.236 4.120 -0.033 0.000 0.299 111 V C 0.609 176.838 176.094 0.225 0.000 1.054 111 V CA 0.141 62.563 62.300 0.203 0.000 1.077 111 V CB 1.430 33.342 31.823 0.147 0.000 0.972 111 V HN -0.000 nan 8.190 nan 0.000 0.484 112 I N 5.773 126.440 120.570 0.163 0.000 2.389 112 I HA 0.477 4.628 4.170 -0.033 0.000 0.288 112 I C -0.460 175.718 176.117 0.102 0.000 0.999 112 I CA -0.306 61.067 61.300 0.122 0.000 1.129 112 I CB 1.703 39.723 38.000 0.033 0.000 1.288 112 I HN 0.407 nan 8.210 nan 0.000 0.444 113 I N 6.685 127.341 120.570 0.143 0.000 2.377 113 I HA 0.382 4.533 4.170 -0.033 0.000 0.293 113 I C -0.219 175.887 176.117 -0.017 0.000 0.987 113 I CA -0.442 60.908 61.300 0.082 0.000 1.185 113 I CB 1.265 39.438 38.000 0.288 0.000 1.341 113 I HN 0.478 nan 8.210 nan 0.000 0.455 114 K N 7.135 127.433 120.400 -0.170 0.000 2.422 114 K HA 0.471 4.771 4.320 -0.033 0.000 0.251 114 K C -2.659 173.901 176.600 -0.067 0.000 0.933 114 K CA -1.794 54.413 56.287 -0.132 0.000 0.798 114 K CB 2.229 34.504 32.500 -0.375 0.000 1.238 114 K HN 0.218 nan 8.250 nan 0.000 0.428 115 P HA -0.003 nan 4.420 nan 0.000 0.271 115 P C -0.567 176.800 177.300 0.112 0.000 1.233 115 P CA -0.093 63.038 63.100 0.051 0.000 0.764 115 P CB 0.214 31.906 31.700 -0.013 0.000 0.825 116 T N 4.671 119.297 114.554 0.119 0.000 2.933 116 T HA -0.067 4.263 4.350 -0.033 0.000 0.306 116 T C 0.248 175.020 174.700 0.119 0.000 1.045 116 T CA -0.033 62.172 62.100 0.175 0.000 1.143 116 T CB 0.182 69.103 68.868 0.089 0.000 1.003 116 T HN 0.442 nan 8.240 nan 0.000 0.540 117 W N 4.667 125.960 121.300 -0.011 0.000 2.251 117 W HA 0.172 4.813 4.660 -0.030 0.000 0.327 117 W C -0.266 176.197 176.519 -0.092 0.000 1.361 117 W CA -0.390 56.927 57.345 -0.048 0.000 1.234 117 W CB 0.270 29.716 29.460 -0.023 0.000 1.212 117 W HN 0.493 nan 8.180 nan 0.000 0.557 118 N N 4.000 122.107 118.700 -0.988 0.000 2.500 118 N HA 0.225 4.945 4.740 -0.033 0.000 0.291 118 N C 0.070 174.796 175.510 -1.307 0.000 1.092 118 N CA -0.282 52.154 53.050 -1.023 0.000 0.890 118 N CB 1.577 39.573 38.487 -0.818 0.000 1.466 118 N HN 0.587 nan 8.380 nan 0.000 0.507 119 G N 1.319 109.439 108.800 -1.133 0.000 3.314 119 G HA2 -0.039 3.902 3.960 -0.033 0.000 0.238 119 G HA3 -0.039 3.902 3.960 -0.033 0.000 0.238 119 G C 0.558 175.295 174.900 -0.272 0.000 1.184 119 G CA -0.088 44.549 45.100 -0.772 0.000 0.806 119 G HN 0.691 nan 8.290 nan 0.000 0.536 120 D N -1.052 119.228 120.400 -0.200 0.000 2.349 120 D HA 0.173 4.794 4.640 -0.033 0.000 0.224 120 D C 1.781 178.043 176.300 -0.065 0.000 1.029 120 D CA 0.345 54.294 54.000 -0.085 0.000 0.879 120 D CB -0.318 40.450 40.800 -0.053 0.000 0.906 120 D HN 0.284 nan 8.370 nan 0.000 0.528 121 G N -0.100 108.652 108.800 -0.081 0.000 2.184 121 G HA2 -0.348 3.592 3.960 -0.033 0.000 0.264 121 G HA3 -0.348 3.592 3.960 -0.033 0.000 0.264 121 G C 0.250 175.060 174.900 -0.151 0.000 0.975 121 G CA 0.548 45.598 45.100 -0.084 0.000 0.642 121 G HN 0.533 nan 8.290 nan 0.000 0.536 122 K N 0.166 120.420 120.400 -0.243 0.000 2.148 122 K HA 0.432 4.733 4.320 -0.033 0.000 0.239 122 K C 0.108 176.321 176.600 -0.646 0.000 1.018 122 K CA -0.911 55.187 56.287 -0.315 0.000 0.923 122 K CB 0.360 32.746 32.500 -0.189 0.000 1.117 122 K HN 0.070 nan 8.250 nan 0.000 0.477 123 N N 2.213 120.698 118.700 -0.357 0.000 2.431 123 N HA 0.044 4.764 4.740 -0.033 0.000 0.265 123 N C -0.815 174.455 175.510 -0.399 0.000 1.184 123 N CA 0.273 53.167 53.050 -0.259 0.000 0.943 123 N CB 0.094 38.531 38.487 -0.082 0.000 1.080 123 N HN 0.434 nan 8.380 nan 0.000 0.477 124 H N 0.865 119.834 119.070 -0.168 0.000 2.616 124 H HA 0.593 5.129 4.556 -0.033 0.000 0.353 124 H C 0.124 175.293 175.328 -0.265 0.000 1.170 124 H CA -1.038 54.885 56.048 -0.208 0.000 1.212 124 H CB 1.654 31.308 29.762 -0.180 0.000 1.653 124 H HN 0.344 nan 8.280 nan 0.000 0.537 125 R N 1.876 122.313 120.500 -0.106 0.000 2.725 125 R HA 0.213 4.534 4.340 -0.033 0.000 0.277 125 R C -0.493 175.656 176.300 -0.252 0.000 0.987 125 R CA -0.905 55.088 56.100 -0.179 0.000 0.901 125 R CB 1.377 31.570 30.300 -0.179 0.000 1.207 125 R HN 0.425 nan 8.270 nan 0.000 0.463 126 L N 0.594 121.576 121.223 -0.403 0.000 2.027 126 L HA 0.106 4.426 4.340 -0.033 0.000 0.206 126 L C 0.166 176.469 176.870 -0.946 0.000 1.074 126 L CA 1.900 56.248 54.840 -0.820 0.000 0.745 126 L CB -0.354 40.911 42.059 -1.323 0.000 0.898 126 L HN 0.478 nan 8.230 nan 0.000 0.433 127 F N -1.583 118.161 119.950 -0.344 0.000 2.561 127 F HA 0.455 4.958 4.527 -0.041 0.000 0.313 127 F C -0.125 175.537 175.800 -0.230 0.000 1.126 127 F CA -1.324 56.453 58.000 -0.372 0.000 0.918 127 F CB 1.195 39.759 39.000 -0.727 0.000 1.199 127 F HN -0.189 nan 8.300 nan 0.000 0.444 128 E N 2.000 122.212 120.200 0.019 0.000 2.176 128 E HA 0.537 4.868 4.350 -0.033 0.000 0.267 128 E C -0.355 176.203 176.600 -0.070 0.000 0.893 128 E CA -0.577 55.812 56.400 -0.018 0.000 0.761 128 E CB 2.816 32.481 29.700 -0.057 0.000 1.133 128 E HN 0.409 nan 8.360 nan 0.000 0.409 129 V N 1.870 121.732 119.914 -0.087 0.000 2.597 129 V HA 0.088 4.188 4.120 -0.033 0.000 0.220 129 V C 1.363 177.321 176.094 -0.226 0.000 1.134 129 V CA 1.025 63.173 62.300 -0.252 0.000 1.159 129 V CB -0.177 31.433 31.823 -0.353 0.000 0.788 129 V HN 0.837 nan 8.190 nan 0.000 0.502 130 G N -0.483 108.207 108.800 -0.184 0.000 3.782 130 G HA2 0.335 4.276 3.960 -0.033 0.000 0.288 130 G HA3 0.335 4.276 3.960 -0.033 0.000 0.288 130 G C 0.775 175.618 174.900 -0.096 0.000 1.300 130 G CA 0.167 45.181 45.100 -0.143 0.000 1.261 130 G HN 0.211 nan 8.290 nan 0.000 0.591 131 V N 0.356 120.217 119.914 -0.089 0.000 2.446 131 V HA -0.040 4.061 4.120 -0.033 0.000 0.244 131 V C 1.848 177.901 176.094 -0.067 0.000 1.039 131 V CA 1.640 63.902 62.300 -0.065 0.000 1.045 131 V CB -0.239 31.547 31.823 -0.061 0.000 0.681 131 V HN 0.458 nan 8.190 nan 0.000 0.459 132 N N 0.268 118.922 118.700 -0.076 0.000 2.177 132 N HA 0.129 4.849 4.740 -0.033 0.000 0.218 132 N C -0.004 175.458 175.510 -0.079 0.000 1.182 132 N CA -0.053 52.955 53.050 -0.070 0.000 0.882 132 N CB 0.436 38.885 38.487 -0.063 0.000 1.052 132 N HN 0.665 nan 8.380 nan 0.000 0.519 133 N N -0.051 118.592 118.700 -0.095 0.000 3.587 133 N HA 0.353 5.074 4.740 -0.033 0.000 0.339 133 N C -1.583 173.855 175.510 -0.119 0.000 1.636 133 N CA -0.638 52.352 53.050 -0.101 0.000 0.788 133 N CB 1.061 39.494 38.487 -0.090 0.000 2.205 133 N HN -0.206 nan 8.380 nan 0.000 0.600 134 I N 0.280 120.781 120.570 -0.114 0.000 2.465 134 I HA 0.522 4.672 4.170 -0.033 0.000 0.291 134 I C -0.978 175.081 176.117 -0.096 0.000 1.014 134 I CA -1.081 60.149 61.300 -0.116 0.000 1.093 134 I CB 2.062 39.992 38.000 -0.116 0.000 1.267 134 I HN 0.218 nan 8.210 nan 0.000 0.431 135 V N 6.908 126.765 119.914 -0.096 0.000 2.531 135 V HA 0.486 4.586 4.120 -0.033 0.000 0.301 135 V C 0.286 176.370 176.094 -0.017 0.000 1.034 135 V CA -0.650 61.599 62.300 -0.086 0.000 0.865 135 V CB 1.774 33.488 31.823 -0.182 0.000 0.995 135 V HN 0.700 nan 8.190 nan 0.000 0.424 136 R N 2.143 122.658 120.500 0.026 0.000 1.864 136 R HA 0.339 4.660 4.340 -0.033 0.000 0.174 136 R C 0.229 176.625 176.300 0.160 0.000 1.773 136 R CA 0.269 56.417 56.100 0.080 0.000 1.381 136 R CB -0.146 30.186 30.300 0.055 0.000 1.066 136 R HN 0.599 nan 8.270 nan 0.000 0.482 137 N N 1.290 120.084 118.700 0.157 0.000 2.500 137 N HA 0.171 4.892 4.740 -0.033 0.000 0.236 137 N C -1.104 174.532 175.510 0.211 0.000 1.022 137 N CA -0.013 53.175 53.050 0.230 0.000 0.935 137 N CB 0.894 39.505 38.487 0.207 0.000 1.147 137 N HN 0.051 nan 8.380 nan 0.000 0.512 138 F N 1.495 121.516 119.950 0.118 0.000 2.578 138 F HA 0.564 5.074 4.527 -0.028 0.000 0.311 138 F C -0.741 175.100 175.800 0.068 0.000 1.094 138 F CA -0.661 57.301 58.000 -0.063 0.000 0.923 138 F CB 1.584 40.574 39.000 -0.017 0.000 1.230 138 F HN 0.323 nan 8.300 nan 0.000 0.450 139 S N 4.469 119.527 115.700 -1.070 0.000 2.579 139 S HA 0.789 5.239 4.470 -0.033 0.000 0.272 139 S C -1.938 172.130 174.600 -0.887 0.000 1.141 139 S CA -0.637 57.040 58.200 -0.871 0.000 0.843 139 S CB 1.980 65.056 63.200 -0.207 0.000 1.122 139 S HN 0.827 nan 8.310 nan 0.000 0.468 140 F N 1.138 120.714 119.950 -0.623 0.000 2.831 140 F HA 0.488 4.990 4.527 -0.041 0.000 0.346 140 F C -1.069 174.690 175.800 -0.069 0.000 1.224 140 F CA -0.074 57.743 58.000 -0.306 0.000 1.048 140 F CB 1.676 40.582 39.000 -0.157 0.000 1.339 140 F HN 0.774 nan 8.300 nan 0.000 0.514 141 Q N 3.882 123.678 119.800 -0.006 0.000 2.292 141 Q HA 0.490 4.811 4.340 -0.033 0.000 0.270 141 Q C -0.005 176.126 176.000 0.217 0.000 1.024 141 Q CA -1.136 54.760 55.803 0.154 0.000 0.768 141 Q CB 2.336 31.098 28.738 0.040 0.000 1.250 141 Q HN 0.849 nan 8.270 nan 0.000 0.447 142 G N 2.753 111.868 108.800 0.526 0.000 2.398 142 G HA2 0.284 4.224 3.960 -0.033 0.000 0.246 142 G HA3 0.284 4.224 3.960 -0.033 0.000 0.246 142 G C -0.082 174.970 174.900 0.254 0.000 1.289 142 G CA -0.294 45.136 45.100 0.549 0.000 0.869 142 G HN 0.452 nan 8.290 nan 0.000 0.543 143 L N 2.028 123.358 121.223 0.178 0.000 2.439 143 L HA 0.496 4.816 4.340 -0.033 0.000 0.261 143 L C 1.674 178.619 176.870 0.124 0.000 1.153 143 L CA 0.509 55.415 54.840 0.110 0.000 0.808 143 L CB 0.700 42.798 42.059 0.066 0.000 1.126 143 L HN 0.961 nan 8.230 nan 0.000 0.460 144 G N 1.744 110.597 108.800 0.089 0.000 2.634 144 G HA2 -0.384 3.556 3.960 -0.033 0.000 0.318 144 G HA3 -0.384 3.556 3.960 -0.033 0.000 0.318 144 G C 0.633 175.589 174.900 0.094 0.000 1.207 144 G CA 0.681 45.831 45.100 0.084 0.000 0.987 144 G HN 0.701 nan 8.290 nan 0.000 0.547 145 N N 3.036 121.800 118.700 0.106 0.000 2.336 145 N HA 0.442 5.162 4.740 -0.033 0.000 0.189 145 N C 1.008 176.585 175.510 0.112 0.000 1.113 145 N CA 2.003 55.113 53.050 0.100 0.000 0.858 145 N CB 0.424 38.970 38.487 0.099 0.000 0.970 145 N HN 1.951 nan 8.380 nan 0.000 0.471 146 G N 0.303 109.199 108.800 0.160 0.000 2.663 146 G HA2 -0.080 3.861 3.960 -0.033 0.000 0.686 146 G HA3 -0.080 3.861 3.960 -0.033 0.000 0.686 146 G C -0.587 174.454 174.900 0.236 0.000 1.288 146 G CA -0.483 44.730 45.100 0.188 0.000 0.836 146 G HN 0.189 nan 8.290 nan 0.000 0.584 147 F N -1.264 118.799 119.950 0.190 0.000 2.697 147 F HA 0.949 5.458 4.527 -0.031 0.000 0.386 147 F C -0.307 175.569 175.800 0.127 0.000 1.154 147 F CA -1.823 56.265 58.000 0.147 0.000 1.108 147 F CB 1.360 40.444 39.000 0.139 0.000 1.429 147 F HN 0.774 nan 8.300 nan 0.000 0.509 148 L N 1.428 122.802 121.223 0.253 0.000 2.362 148 L HA 0.702 5.022 4.340 -0.033 0.000 0.275 148 L C -1.401 175.542 176.870 0.121 0.000 0.998 148 L CA -0.729 54.120 54.840 0.016 0.000 0.820 148 L CB 1.942 43.975 42.059 -0.043 0.000 1.270 148 L HN 0.573 nan 8.230 nan 0.000 0.415 149 V N 3.787 123.685 119.914 -0.027 0.000 2.406 149 V HA 0.360 4.460 4.120 -0.033 0.000 0.272 149 V C -0.607 175.356 176.094 -0.217 0.000 1.043 149 V CA -0.387 61.864 62.300 -0.083 0.000 0.915 149 V CB 1.224 32.943 31.823 -0.174 0.000 0.988 149 V HN 0.728 nan 8.190 nan 0.000 0.466 150 D N 3.628 123.958 120.400 -0.117 0.000 2.381 150 D HA 0.423 5.043 4.640 -0.033 0.000 0.235 150 D C -0.115 176.266 176.300 0.136 0.000 1.068 150 D CA -0.446 53.525 54.000 -0.049 0.000 0.832 150 D CB 1.233 42.037 40.800 0.007 0.000 1.101 150 D HN 0.275 nan 8.370 nan 0.000 0.515 151 F N 2.194 122.159 119.950 0.024 0.000 2.678 151 F HA 0.258 4.763 4.527 -0.035 0.000 0.305 151 F C 1.939 177.762 175.800 0.038 0.000 1.090 151 F CA -0.235 57.786 58.000 0.034 0.000 1.272 151 F CB 0.046 39.074 39.000 0.046 0.000 1.060 151 F HN 0.329 nan 8.300 nan 0.000 0.576 152 K N 0.446 120.963 120.400 0.196 0.000 2.147 152 K HA -0.136 4.165 4.320 -0.033 0.000 0.205 152 K C 1.009 177.664 176.600 0.092 0.000 1.049 152 K CA 1.661 58.021 56.287 0.122 0.000 0.936 152 K CB -0.155 32.388 32.500 0.071 0.000 0.722 152 K HN 0.240 nan 8.250 nan 0.000 0.446 153 D N -0.319 120.133 120.400 0.086 0.000 2.340 153 D HA -0.010 4.611 4.640 -0.033 0.000 0.217 153 D C 0.339 176.667 176.300 0.047 0.000 1.081 153 D CA -0.074 53.958 54.000 0.053 0.000 0.842 153 D CB 0.144 40.968 40.800 0.040 0.000 0.934 153 D HN -0.188 nan 8.370 nan 0.000 0.511 154 S N 0.173 115.923 115.700 0.083 0.000 2.580 154 S HA 0.243 4.694 4.470 -0.033 0.000 0.274 154 S C 0.981 175.610 174.600 0.047 0.000 1.329 154 S CA -0.577 57.669 58.200 0.076 0.000 1.036 154 S CB 1.075 64.317 63.200 0.070 0.000 0.919 154 S HN 0.115 nan 8.310 nan 0.000 0.515 155 R N 1.282 121.805 120.500 0.039 0.000 2.334 155 R HA 0.184 4.505 4.340 -0.033 0.000 0.212 155 R C -0.370 176.079 176.300 0.249 0.000 0.897 155 R CA -0.189 55.921 56.100 0.017 0.000 1.056 155 R CB 0.105 30.220 30.300 -0.309 0.000 1.046 155 R HN 0.512 nan 8.270 nan 0.000 0.513 156 D N 1.828 122.439 120.400 0.351 0.000 2.339 156 D HA 0.033 4.653 4.640 -0.033 0.000 0.256 156 D C 0.381 176.721 176.300 0.067 0.000 1.214 156 D CA 0.246 54.400 54.000 0.257 0.000 0.877 156 D CB 1.023 41.955 40.800 0.220 0.000 1.111 156 D HN 0.004 nan 8.370 nan 0.000 0.478 157 K N 2.164 122.601 120.400 0.060 0.000 2.400 157 K HA 0.028 4.329 4.320 -0.033 0.000 0.194 157 K C -0.062 176.525 176.600 -0.020 0.000 1.033 157 K CA 0.255 56.552 56.287 0.017 0.000 1.021 157 K CB 0.116 32.638 32.500 0.037 0.000 0.808 157 K HN 0.302 nan 8.250 nan 0.000 0.505 158 N N 1.545 120.245 118.700 0.001 0.000 3.044 158 N HA 0.268 4.989 4.740 -0.033 0.000 0.254 158 N C -1.470 174.128 175.510 0.147 0.000 1.253 158 N CA -0.115 52.997 53.050 0.104 0.000 0.944 158 N CB 0.703 39.236 38.487 0.076 0.000 1.217 158 N HN -0.064 nan 8.380 nan 0.000 0.498 159 L N 1.116 122.426 121.223 0.145 0.000 2.464 159 L HA 0.825 5.145 4.340 -0.033 0.000 0.266 159 L C -0.750 176.163 176.870 0.071 0.000 0.965 159 L CA -0.883 53.909 54.840 -0.081 0.000 0.833 159 L CB 1.949 43.662 42.059 -0.578 0.000 1.296 159 L HN 0.324 nan 8.230 nan 0.000 0.405 160 A N 2.509 125.329 122.820 0.001 0.000 2.384 160 A HA 0.748 5.048 4.320 -0.033 0.000 0.312 160 A C 0.367 178.027 177.584 0.128 0.000 1.113 160 A CA -0.468 51.636 52.037 0.111 0.000 0.779 160 A CB 1.863 20.846 19.000 -0.030 0.000 1.307 160 A HN 0.428 nan 8.150 nan 0.000 0.436 161 V N -0.072 119.973 119.914 0.218 0.000 2.300 161 V HA 0.107 4.207 4.120 -0.033 0.000 0.241 161 V C 0.107 176.131 176.094 -0.117 0.000 1.034 161 V CA 1.408 63.766 62.300 0.097 0.000 1.021 161 V CB -0.590 31.378 31.823 0.242 0.000 0.662 161 V HN 0.652 nan 8.190 nan 0.000 0.458 162 F N -0.179 119.876 119.950 0.175 0.000 2.532 162 F HA 0.578 5.083 4.527 -0.037 0.000 0.321 162 F C -0.032 175.817 175.800 0.083 0.000 1.089 162 F CA -0.713 57.377 58.000 0.151 0.000 0.926 162 F CB 1.692 40.790 39.000 0.163 0.000 1.168 162 F HN -0.182 nan 8.300 nan 0.000 0.459 163 K N 4.555 125.083 120.400 0.213 0.000 2.376 163 K HA 0.656 4.956 4.320 -0.033 0.000 0.257 163 K C -1.814 174.850 176.600 0.107 0.000 0.939 163 K CA -0.499 55.861 56.287 0.123 0.000 0.809 163 K CB 1.183 33.682 32.500 -0.003 0.000 1.121 163 K HN 0.690 nan 8.250 nan 0.000 0.425 164 L N 3.715 124.999 121.223 0.101 0.000 2.307 164 L HA 0.526 4.846 4.340 -0.033 0.000 0.284 164 L C 0.590 177.483 176.870 0.038 0.000 1.023 164 L CA -0.724 54.131 54.840 0.025 0.000 0.810 164 L CB 1.683 43.737 42.059 -0.007 0.000 1.231 164 L HN 0.955 nan 8.230 nan 0.000 0.423 165 G N 0.863 109.659 108.800 -0.008 0.000 3.110 165 G HA2 0.017 3.957 3.960 -0.033 0.000 0.207 165 G HA3 0.017 3.957 3.960 -0.033 0.000 0.207 165 G C -0.506 174.410 174.900 0.027 0.000 1.841 165 G CA -0.032 45.090 45.100 0.036 0.000 0.751 165 G HN 0.522 nan 8.290 nan 0.000 0.771 166 D N 1.043 121.430 120.400 -0.022 0.000 2.551 166 D HA 0.333 4.953 4.640 -0.033 0.000 0.223 166 D C -0.707 175.543 176.300 -0.082 0.000 1.144 166 D CA 0.102 54.073 54.000 -0.048 0.000 1.025 166 D CB 0.177 40.908 40.800 -0.114 0.000 1.085 166 D HN 0.049 nan 8.370 nan 0.000 0.506 167 V N 4.027 123.893 119.914 -0.080 0.000 2.656 167 V HA 0.608 4.708 4.120 -0.033 0.000 0.307 167 V C -1.148 174.972 176.094 0.043 0.000 1.051 167 V CA -0.758 61.475 62.300 -0.111 0.000 0.893 167 V CB 1.943 33.573 31.823 -0.321 0.000 0.999 167 V HN 0.306 nan 8.190 nan 0.000 0.426 168 R N 4.525 125.117 120.500 0.153 0.000 2.686 168 R HA 0.463 4.783 4.340 -0.033 0.000 0.283 168 R C -0.675 175.839 176.300 0.356 0.000 0.978 168 R CA -0.869 55.395 56.100 0.273 0.000 0.897 168 R CB 1.434 31.823 30.300 0.149 0.000 1.192 168 R HN 0.897 nan 8.270 nan 0.000 0.457 169 N N 1.614 120.550 118.700 0.394 0.000 2.573 169 N HA -0.229 4.491 4.740 -0.033 0.000 0.275 169 N C -1.797 174.080 175.510 0.613 0.000 1.208 169 N CA 0.819 54.093 53.050 0.374 0.000 0.688 169 N CB -0.866 37.737 38.487 0.194 0.000 0.882 169 N HN 0.599 nan 8.380 nan 0.000 0.548 170 Y N -0.720 119.823 120.300 0.405 0.000 2.588 170 Y HA 0.787 5.320 4.550 -0.029 0.000 0.343 170 Y C -0.482 175.274 175.900 -0.240 0.000 1.065 170 Y CA -1.317 56.900 58.100 0.194 0.000 1.038 170 Y CB 1.355 39.970 38.460 0.258 0.000 1.297 170 Y HN 0.222 nan 8.280 nan 0.000 0.467 171 K N 2.815 122.916 120.400 -0.499 0.000 2.507 171 K HA 0.701 5.001 4.320 -0.033 0.000 0.251 171 K C -2.128 174.291 176.600 -0.302 0.000 0.943 171 K CA -0.605 55.302 56.287 -0.633 0.000 0.794 171 K CB 1.691 33.546 32.500 -1.076 0.000 1.188 171 K HN 0.892 nan 8.250 nan 0.000 0.428 172 I N 2.136 122.597 120.570 -0.182 0.000 2.478 172 I HA 0.302 4.452 4.170 -0.033 0.000 0.287 172 I C -0.918 175.205 176.117 0.010 0.000 1.042 172 I CA -0.654 60.607 61.300 -0.065 0.000 1.067 172 I CB 2.131 40.002 38.000 -0.216 0.000 1.233 172 I HN 0.478 nan 8.210 nan 0.000 0.431 173 S N 4.616 120.439 115.700 0.205 0.000 2.582 173 S HA 0.410 4.861 4.470 -0.033 0.000 0.287 173 S C -0.516 174.191 174.600 0.179 0.000 1.146 173 S CA -0.458 57.803 58.200 0.100 0.000 0.941 173 S CB 0.817 64.051 63.200 0.058 0.000 1.115 173 S HN 0.768 nan 8.310 nan 0.000 0.458 174 N N 1.800 120.509 118.700 0.015 0.000 3.022 174 N HA -0.109 4.612 4.740 -0.033 0.000 0.246 174 N C -0.951 174.614 175.510 0.092 0.000 1.119 174 N CA 1.557 54.660 53.050 0.089 0.000 0.681 174 N CB -1.769 36.784 38.487 0.110 0.000 1.037 174 N HN 0.705 nan 8.380 nan 0.000 0.561 175 F N -3.870 115.918 119.950 -0.269 0.000 2.773 175 F HA 0.696 5.206 4.527 -0.030 0.000 0.314 175 F C -0.383 175.201 175.800 -0.360 0.000 1.160 175 F CA -0.962 56.712 58.000 -0.544 0.000 0.920 175 F CB 0.738 38.948 39.000 -1.317 0.000 1.323 175 F HN -0.153 nan 8.300 nan 0.000 0.457 176 T N 2.141 116.586 114.554 -0.182 0.000 2.823 176 T HA 0.675 5.005 4.350 -0.033 0.000 0.279 176 T C -0.508 174.110 174.700 -0.138 0.000 0.998 176 T CA -0.371 61.590 62.100 -0.232 0.000 0.994 176 T CB 1.315 69.956 68.868 -0.379 0.000 0.960 176 T HN 0.536 nan 8.240 nan 0.000 0.448 177 I N 2.721 123.205 120.570 -0.144 0.000 2.330 177 I HA 0.249 4.399 4.170 -0.033 0.000 0.289 177 I C -0.287 175.700 176.117 -0.216 0.000 1.001 177 I CA -0.660 60.532 61.300 -0.180 0.000 1.193 177 I CB 1.118 39.038 38.000 -0.133 0.000 1.345 177 I HN 0.451 nan 8.210 nan 0.000 0.461 178 D N 5.728 125.991 120.400 -0.229 0.000 2.441 178 D HA 0.131 4.752 4.640 -0.033 0.000 0.221 178 D C -0.177 176.091 176.300 -0.053 0.000 1.156 178 D CA 0.060 54.005 54.000 -0.091 0.000 0.896 178 D CB 0.464 41.250 40.800 -0.023 0.000 1.028 178 D HN 0.361 nan 8.370 nan 0.000 0.509 179 D N 0.770 121.175 120.400 0.009 0.000 2.423 179 D HA 0.154 4.774 4.640 -0.033 0.000 0.255 179 D C -0.034 176.367 176.300 0.168 0.000 1.174 179 D CA -0.409 53.674 54.000 0.138 0.000 1.008 179 D CB 0.884 41.758 40.800 0.124 0.000 1.101 179 D HN 0.067 nan 8.370 nan 0.000 0.516 180 N N 0.646 119.475 118.700 0.215 0.000 2.622 180 N HA 0.074 4.794 4.740 -0.033 0.000 0.304 180 N C -1.056 174.537 175.510 0.139 0.000 1.844 180 N CA -0.273 52.869 53.050 0.152 0.000 0.886 180 N CB -0.338 38.246 38.487 0.161 0.000 1.366 180 N HN 0.368 nan 8.380 nan 0.000 0.491 181 K N -0.100 120.366 120.400 0.111 0.000 3.148 181 K HA -0.179 4.121 4.320 -0.033 0.000 0.267 181 K C -0.086 176.594 176.600 0.132 0.000 0.996 181 K CA 1.080 57.427 56.287 0.101 0.000 0.737 181 K CB -2.244 30.318 32.500 0.102 0.000 1.308 181 K HN 0.648 nan 8.250 nan 0.000 0.470 182 T N -2.266 112.359 114.554 0.119 0.000 2.726 182 T HA 0.430 4.761 4.350 -0.033 0.000 0.294 182 T C 0.795 175.456 174.700 -0.065 0.000 1.013 182 T CA -0.936 61.194 62.100 0.050 0.000 0.996 182 T CB 1.086 69.973 68.868 0.032 0.000 1.016 182 T HN 0.115 nan 8.240 nan 0.000 0.529 183 I N 1.337 121.771 120.570 -0.226 0.000 2.577 183 I HA 0.468 4.618 4.170 -0.033 0.000 0.300 183 I C -0.625 174.973 176.117 -0.866 0.000 0.990 183 I CA -0.735 60.172 61.300 -0.655 0.000 1.283 183 I CB 0.286 37.940 38.000 -0.577 0.000 1.411 183 I HN 0.902 nan 8.210 nan 0.000 0.515 184 F N 2.044 121.285 119.950 -1.182 0.000 2.169 184 F HA 0.032 4.543 4.527 -0.028 0.000 0.529 184 F C 0.345 175.998 175.800 -0.245 0.000 1.298 184 F CA -0.482 57.216 58.000 -0.504 0.000 1.694 184 F CB -1.736 37.145 39.000 -0.198 0.000 2.713 184 F HN 0.596 nan 8.300 nan 0.000 0.723 185 A N 1.341 124.242 122.820 0.135 0.000 2.555 185 A HA 0.418 4.719 4.320 -0.033 0.000 0.233 185 A C 1.313 179.037 177.584 0.233 0.000 1.060 185 A CA 0.673 52.845 52.037 0.224 0.000 0.759 185 A CB 0.262 19.404 19.000 0.237 0.000 0.995 185 A HN 0.897 nan 8.150 nan 0.000 0.506 186 S N 0.336 116.165 115.700 0.216 0.000 2.428 186 S HA 0.094 4.544 4.470 -0.033 0.000 0.230 186 S C 0.557 175.328 174.600 0.286 0.000 1.014 186 S CA 0.898 59.251 58.200 0.255 0.000 0.957 186 S CB -0.218 63.116 63.200 0.223 0.000 0.784 186 S HN 0.561 nan 8.310 nan 0.000 0.499 187 I N 1.969 122.696 120.570 0.261 0.000 2.497 187 I HA 0.306 4.457 4.170 -0.033 0.000 0.284 187 I C -1.410 174.858 176.117 0.252 0.000 1.060 187 I CA -0.334 61.142 61.300 0.293 0.000 1.071 187 I CB 1.781 39.947 38.000 0.276 0.000 1.216 187 I HN -0.030 nan 8.210 nan 0.000 0.442 188 L N 6.939 128.321 121.223 0.264 0.000 2.262 188 L HA 0.420 4.741 4.340 -0.033 0.000 0.288 188 L C -0.163 176.881 176.870 0.290 0.000 1.035 188 L CA -0.792 54.231 54.840 0.305 0.000 0.820 188 L CB 1.582 43.806 42.059 0.274 0.000 1.204 188 L HN 0.286 nan 8.230 nan 0.000 0.424 189 V N 2.575 122.672 119.914 0.305 0.000 2.267 189 V HA 0.227 4.328 4.120 -0.033 0.000 0.254 189 V C -0.081 176.215 176.094 0.337 0.000 1.144 189 V CA -0.036 62.440 62.300 0.293 0.000 0.992 189 V CB 0.481 32.496 31.823 0.321 0.000 1.199 189 V HN 0.659 nan 8.190 nan 0.000 0.493 190 D N 2.121 122.690 120.400 0.282 0.000 2.553 190 D HA 0.669 5.289 4.640 -0.033 0.000 0.249 190 D C -0.568 175.842 176.300 0.184 0.000 1.062 190 D CA -0.212 53.928 54.000 0.233 0.000 1.085 190 D CB 2.779 43.634 40.800 0.091 0.000 1.350 190 D HN 0.332 nan 8.370 nan 0.000 0.575 191 V N -1.955 118.022 119.914 0.104 0.000 2.994 191 V HA 0.892 4.992 4.120 -0.033 0.000 0.318 191 V C -0.085 176.055 176.094 0.077 0.000 1.085 191 V CA -0.368 62.034 62.300 0.170 0.000 0.998 191 V CB 1.511 33.427 31.823 0.155 0.000 1.063 191 V HN 0.560 nan 8.190 nan 0.000 0.447 192 T N 0.677 115.290 114.554 0.098 0.000 2.864 192 T HA 0.452 4.782 4.350 -0.033 0.000 0.299 192 T C -1.514 173.205 174.700 0.032 0.000 1.166 192 T CA -0.447 61.673 62.100 0.033 0.000 1.007 192 T CB 1.942 70.822 68.868 0.019 0.000 1.219 192 T HN 1.098 nan 8.240 nan 0.000 0.506 193 E N 2.196 122.391 120.200 -0.008 0.000 2.185 193 E HA 0.513 4.844 4.350 -0.033 0.000 0.261 193 E C -1.093 175.524 176.600 0.027 0.000 0.879 193 E CA -0.609 55.768 56.400 -0.038 0.000 0.756 193 E CB 1.174 30.814 29.700 -0.101 0.000 1.152 193 E HN 0.515 nan 8.360 nan 0.000 0.416 194 R N 3.645 124.208 120.500 0.106 0.000 2.564 194 R HA 0.217 4.538 4.340 -0.033 0.000 0.284 194 R C -0.853 175.527 176.300 0.134 0.000 1.031 194 R CA -0.470 55.667 56.100 0.062 0.000 0.904 194 R CB 0.751 30.995 30.300 -0.094 0.000 1.199 194 R HN 0.616 nan 8.270 nan 0.000 0.443 195 N N 2.530 121.278 118.700 0.080 0.000 2.705 195 N HA -0.216 4.505 4.740 -0.033 0.000 0.255 195 N C 0.595 176.175 175.510 0.117 0.000 1.008 195 N CA 1.605 54.706 53.050 0.085 0.000 0.742 195 N CB -1.315 37.211 38.487 0.065 0.000 0.906 195 N HN 1.091 nan 8.380 nan 0.000 0.541 196 G N -1.380 107.506 108.800 0.143 0.000 2.189 196 G HA2 -0.400 3.540 3.960 -0.033 0.000 0.267 196 G HA3 -0.400 3.540 3.960 -0.033 0.000 0.267 196 G C 0.166 175.227 174.900 0.268 0.000 0.975 196 G CA 1.155 46.378 45.100 0.205 0.000 0.644 196 G HN 0.989 nan 8.290 nan 0.000 0.537 197 R N -0.956 119.625 120.500 0.135 0.000 2.912 197 R HA 0.845 5.165 4.340 -0.033 0.000 0.262 197 R C -0.108 176.042 176.300 -0.250 0.000 1.057 197 R CA -1.249 54.844 56.100 -0.012 0.000 0.981 197 R CB 1.050 31.290 30.300 -0.101 0.000 1.201 197 R HN 0.100 nan 8.270 nan 0.000 0.484 198 L N 1.853 122.886 121.223 -0.317 0.000 2.371 198 L HA 0.389 4.709 4.340 -0.033 0.000 0.272 198 L C -0.474 176.178 176.870 -0.364 0.000 1.124 198 L CA -0.514 54.206 54.840 -0.200 0.000 0.816 198 L CB 0.687 42.766 42.059 0.033 0.000 1.129 198 L HN 0.676 nan 8.230 nan 0.000 0.448 199 H N 0.553 119.605 119.070 -0.029 0.000 2.747 199 H HA 0.614 5.153 4.556 -0.028 0.000 0.371 199 H C -0.901 174.478 175.328 0.085 0.000 1.161 199 H CA -0.618 55.303 56.048 -0.211 0.000 1.167 199 H CB 1.653 31.292 29.762 -0.206 0.000 1.732 199 H HN 0.591 nan 8.280 nan 0.000 0.544 200 W N -0.528 120.844 121.300 0.119 0.000 2.940 200 W HA 0.629 5.269 4.660 -0.033 0.000 0.394 200 W C -1.137 175.440 176.519 0.096 0.000 1.155 200 W CA -1.228 56.169 57.345 0.086 0.000 1.165 200 W CB 0.298 29.808 29.460 0.084 0.000 1.492 200 W HN 0.607 nan 8.180 nan 0.000 0.593 201 S N 1.131 117.089 115.700 0.429 0.000 2.499 201 S HA 0.555 5.006 4.470 -0.033 0.000 0.279 201 S C 0.268 175.099 174.600 0.386 0.000 1.219 201 S CA -0.663 57.723 58.200 0.309 0.000 1.062 201 S CB 1.991 65.344 63.200 0.255 0.000 0.978 201 S HN 0.601 nan 8.310 nan 0.000 0.489 202 R N 2.067 122.747 120.500 0.300 0.000 1.769 202 R HA 0.255 4.575 4.340 -0.033 0.000 0.141 202 R C -0.035 176.434 176.300 0.283 0.000 1.855 202 R CA -0.104 56.155 56.100 0.266 0.000 1.662 202 R CB -0.353 30.046 30.300 0.165 0.000 1.064 202 R HN 0.693 nan 8.270 nan 0.000 0.499 203 N N 0.972 119.816 118.700 0.239 0.000 2.422 203 N HA 0.336 5.056 4.740 -0.033 0.000 0.266 203 N C -0.321 175.215 175.510 0.044 0.000 1.007 203 N CA 0.026 53.183 53.050 0.177 0.000 0.941 203 N CB 1.945 40.514 38.487 0.136 0.000 1.115 203 N HN 0.457 nan 8.380 nan 0.000 0.492 204 G N 0.769 109.471 108.800 -0.163 0.000 2.608 204 G HA2 0.604 4.545 3.960 -0.033 0.000 0.291 204 G HA3 0.604 4.545 3.960 -0.033 0.000 0.291 204 G C -1.438 173.114 174.900 -0.582 0.000 1.425 204 G CA -0.637 44.052 45.100 -0.687 0.000 0.787 204 G HN 0.399 nan 8.290 nan 0.000 0.484 205 I N 0.266 120.451 120.570 -0.642 0.000 2.498 205 I HA 0.488 4.638 4.170 -0.033 0.000 0.290 205 I C -0.863 174.978 176.117 -0.461 0.000 1.032 205 I CA -0.699 60.280 61.300 -0.535 0.000 1.073 205 I CB 2.313 40.099 38.000 -0.356 0.000 1.251 205 I HN 0.211 nan 8.210 nan 0.000 0.426 206 I N 6.194 126.522 120.570 -0.403 0.000 2.447 206 I HA 0.423 4.573 4.170 -0.033 0.000 0.287 206 I C -0.550 175.482 176.117 -0.142 0.000 1.023 206 I CA -0.223 60.951 61.300 -0.210 0.000 1.083 206 I CB 1.695 39.641 38.000 -0.091 0.000 1.245 206 I HN 0.685 nan 8.210 nan 0.000 0.434 207 E N 5.676 125.794 120.200 -0.136 0.000 2.423 207 E HA 0.509 4.839 4.350 -0.033 0.000 0.280 207 E C -1.031 175.483 176.600 -0.144 0.000 1.030 207 E CA -1.100 55.231 56.400 -0.115 0.000 0.812 207 E CB 1.341 30.976 29.700 -0.108 0.000 1.313 207 E HN 0.439 nan 8.360 nan 0.000 0.456 208 R N 0.551 120.980 120.500 -0.117 0.000 3.188 208 R HA -0.168 4.153 4.340 -0.033 0.000 0.247 208 R C -0.740 175.397 176.300 -0.270 0.000 0.918 208 R CA 0.911 56.931 56.100 -0.134 0.000 0.629 208 R CB -2.270 27.978 30.300 -0.086 0.000 1.087 208 R HN 0.501 nan 8.270 nan 0.000 0.462 209 I N 0.324 120.718 120.570 -0.294 0.000 2.498 209 I HA 0.318 4.468 4.170 -0.033 0.000 0.290 209 I C -0.035 175.932 176.117 -0.251 0.000 1.032 209 I CA -1.034 59.993 61.300 -0.455 0.000 1.073 209 I CB 2.166 39.796 38.000 -0.616 0.000 1.251 209 I HN -0.044 nan 8.210 nan 0.000 0.426 210 K N 5.183 125.430 120.400 -0.254 0.000 2.221 210 K HA 0.494 4.795 4.320 -0.033 0.000 0.258 210 K C -1.101 175.372 176.600 -0.211 0.000 0.944 210 K CA -0.460 55.711 56.287 -0.193 0.000 0.823 210 K CB 1.649 34.041 32.500 -0.181 0.000 1.113 210 K HN 0.579 nan 8.250 nan 0.000 0.431 211 Q N 2.933 122.621 119.800 -0.187 0.000 2.333 211 Q HA 0.401 4.721 4.340 -0.033 0.000 0.267 211 Q C -1.195 174.707 176.000 -0.162 0.000 1.012 211 Q CA -0.623 55.092 55.803 -0.146 0.000 0.824 211 Q CB 1.209 29.902 28.738 -0.075 0.000 1.290 211 Q HN 0.772 nan 8.270 nan 0.000 0.449 212 N N 2.458 121.077 118.700 -0.134 0.000 2.417 212 N HA 0.292 5.013 4.740 -0.033 0.000 0.300 212 N C -1.062 174.442 175.510 -0.009 0.000 1.102 212 N CA -0.670 52.329 53.050 -0.084 0.000 0.886 212 N CB 0.887 39.294 38.487 -0.134 0.000 1.203 212 N HN 0.693 nan 8.380 nan 0.000 0.496 213 N N 0.310 119.016 118.700 0.011 0.000 2.714 213 N HA -0.209 4.512 4.740 -0.033 0.000 0.253 213 N C -1.445 174.059 175.510 -0.010 0.000 1.024 213 N CA 0.390 53.437 53.050 -0.005 0.000 0.726 213 N CB -0.870 37.630 38.487 0.020 0.000 0.908 213 N HN 0.652 nan 8.380 nan 0.000 0.542 214 A N 0.430 123.240 122.820 -0.017 0.000 2.316 214 A HA 0.562 4.863 4.320 -0.033 0.000 0.284 214 A C 0.441 178.008 177.584 -0.029 0.000 1.115 214 A CA -0.582 51.460 52.037 0.009 0.000 0.812 214 A CB 0.652 19.669 19.000 0.029 0.000 1.064 214 A HN 0.452 nan 8.150 nan 0.000 0.489 215 L N 2.883 124.107 121.223 0.001 0.000 2.456 215 L HA 0.220 4.541 4.340 -0.033 0.000 0.272 215 L C 1.219 178.001 176.870 -0.145 0.000 1.189 215 L CA 0.175 54.969 54.840 -0.077 0.000 0.846 215 L CB -0.200 41.844 42.059 -0.024 0.000 1.111 215 L HN 0.809 nan 8.230 nan 0.000 0.475 216 F N 2.253 122.093 119.950 -0.183 0.000 2.087 216 F HA -0.045 4.463 4.527 -0.031 0.000 0.299 216 F C 1.640 177.303 175.800 -0.227 0.000 1.100 216 F CA 1.345 59.228 58.000 -0.195 0.000 1.226 216 F CB -1.361 37.507 39.000 -0.220 0.000 0.983 216 F HN 0.498 nan 8.300 nan 0.000 0.479 217 G N -2.021 106.139 108.800 -1.066 0.000 2.956 217 G HA2 0.192 4.133 3.960 -0.033 0.000 0.207 217 G HA3 0.192 4.133 3.960 -0.033 0.000 0.207 217 G C -0.276 173.954 174.900 -1.117 0.000 1.162 217 G CA 0.312 44.834 45.100 -0.962 0.000 0.796 217 G HN 0.475 nan 8.290 nan 0.000 0.527 218 Y N -1.224 118.957 120.300 -0.198 0.000 3.345 218 Y HA 0.721 5.252 4.550 -0.031 0.000 0.279 218 Y C 0.980 176.850 175.900 -0.050 0.000 1.980 218 Y CA -0.264 57.780 58.100 -0.093 0.000 0.912 218 Y CB 0.565 38.977 38.460 -0.080 0.000 1.460 218 Y HN 0.269 nan 8.280 nan 0.000 0.605 219 G N -0.634 108.279 108.800 0.189 0.000 2.291 219 G HA2 0.094 4.034 3.960 -0.033 0.000 0.249 219 G HA3 0.094 4.034 3.960 -0.033 0.000 0.249 219 G C -0.795 174.156 174.900 0.086 0.000 1.340 219 G CA -0.216 44.937 45.100 0.089 0.000 1.017 219 G HN 0.508 nan 8.290 nan 0.000 0.470 220 L N 0.028 121.275 121.223 0.038 0.000 2.022 220 L HA 0.488 4.808 4.340 -0.033 0.000 0.204 220 L C 1.061 177.964 176.870 0.055 0.000 1.076 220 L CA 1.422 56.285 54.840 0.038 0.000 0.749 220 L CB -0.556 41.500 42.059 -0.005 0.000 0.903 220 L HN 0.492 nan 8.230 nan 0.000 0.439 221 I N 0.741 121.306 120.570 -0.008 0.000 2.404 221 I HA 0.360 4.510 4.170 -0.033 0.000 0.293 221 I C -0.217 175.851 176.117 -0.082 0.000 0.992 221 I CA -0.269 61.012 61.300 -0.033 0.000 1.149 221 I CB 1.076 38.971 38.000 -0.175 0.000 1.315 221 I HN 0.328 nan 8.210 nan 0.000 0.446 222 Q N 4.051 123.825 119.800 -0.043 0.000 2.333 222 Q HA 0.537 4.858 4.340 -0.033 0.000 0.267 222 Q C -0.656 175.166 176.000 -0.296 0.000 1.012 222 Q CA -0.572 55.116 55.803 -0.192 0.000 0.824 222 Q CB 1.961 30.607 28.738 -0.153 0.000 1.290 222 Q HN 0.798 nan 8.270 nan 0.000 0.449 223 T N 0.767 115.075 114.554 -0.410 0.000 2.824 223 T HA 0.422 4.753 4.350 -0.033 0.000 0.280 223 T C -0.273 174.129 174.700 -0.497 0.000 0.995 223 T CA -0.254 61.666 62.100 -0.301 0.000 1.009 223 T CB 0.697 69.492 68.868 -0.122 0.000 0.955 223 T HN 0.648 nan 8.240 nan 0.000 0.452 224 Y N 2.295 122.574 120.300 -0.034 0.000 2.576 224 Y HA 0.543 5.073 4.550 -0.033 0.000 0.282 224 Y C 1.601 177.369 175.900 -0.219 0.000 1.139 224 Y CA -0.198 57.835 58.100 -0.111 0.000 1.265 224 Y CB 0.511 38.929 38.460 -0.069 0.000 1.376 224 Y HN 0.926 nan 8.280 nan 0.000 0.511 225 G N 0.001 108.761 108.800 -0.067 0.000 2.707 225 G HA2 0.677 4.617 3.960 -0.033 0.000 0.299 225 G HA3 0.677 4.617 3.960 -0.033 0.000 0.299 225 G C -1.650 173.127 174.900 -0.205 0.000 1.442 225 G CA -0.307 44.503 45.100 -0.484 0.000 1.009 225 G HN 0.287 nan 8.290 nan 0.000 0.515 226 A N 2.550 125.284 122.820 -0.143 0.000 2.512 226 A HA 0.673 4.973 4.320 -0.033 0.000 0.294 226 A C -1.634 176.109 177.584 0.264 0.000 1.054 226 A CA -0.724 51.440 52.037 0.213 0.000 0.756 226 A CB 1.538 20.679 19.000 0.236 0.000 1.293 226 A HN 0.489 nan 8.150 nan 0.000 0.395 227 D N 1.813 122.440 120.400 0.378 0.000 2.391 227 D HA 0.404 5.025 4.640 -0.033 0.000 0.245 227 D C -0.224 176.235 176.300 0.265 0.000 1.069 227 D CA 0.076 54.258 54.000 0.304 0.000 0.831 227 D CB 1.620 42.613 40.800 0.322 0.000 1.204 227 D HN 0.736 nan 8.370 nan 0.000 0.503 228 N N 2.107 120.961 118.700 0.258 0.000 2.648 228 N HA -0.163 4.557 4.740 -0.033 0.000 0.265 228 N C -1.566 174.160 175.510 0.359 0.000 1.100 228 N CA 0.449 53.692 53.050 0.321 0.000 0.715 228 N CB -0.748 37.869 38.487 0.216 0.000 0.881 228 N HN 0.334 nan 8.380 nan 0.000 0.548 229 I N 1.171 121.877 120.570 0.226 0.000 2.533 229 I HA 0.391 4.542 4.170 -0.033 0.000 0.290 229 I C -0.280 175.545 176.117 -0.487 0.000 1.056 229 I CA -0.895 60.295 61.300 -0.184 0.000 1.057 229 I CB 1.445 39.231 38.000 -0.356 0.000 1.240 229 I HN 0.239 nan 8.210 nan 0.000 0.423 230 L N 6.722 127.330 121.223 -1.024 0.000 2.272 230 L HA 0.575 4.895 4.340 -0.033 0.000 0.289 230 L C -1.361 175.046 176.870 -0.773 0.000 1.032 230 L CA 0.178 54.379 54.840 -1.064 0.000 0.810 230 L CB 0.607 41.663 42.059 -1.672 0.000 1.205 230 L HN 0.237 nan 8.230 nan 0.000 0.422 231 F N 5.287 125.081 119.950 -0.260 0.000 2.411 231 F HA 0.665 5.172 4.527 -0.033 0.000 0.352 231 F C 0.299 176.018 175.800 -0.136 0.000 1.123 231 F CA -0.428 57.468 58.000 -0.172 0.000 1.044 231 F CB 1.272 40.200 39.000 -0.120 0.000 1.135 231 F HN 0.452 nan 8.300 nan 0.000 0.461 232 R N 2.999 123.516 120.500 0.028 0.000 2.584 232 R HA 0.318 4.638 4.340 -0.033 0.000 0.276 232 R C -0.918 175.376 176.300 -0.010 0.000 1.046 232 R CA -0.562 55.540 56.100 0.003 0.000 0.906 232 R CB 0.994 31.274 30.300 -0.033 0.000 1.215 232 R HN 0.813 nan 8.270 nan 0.000 0.449 233 N N 3.631 122.331 118.700 0.000 0.000 2.681 233 N HA -0.183 4.537 4.740 -0.033 0.000 0.259 233 N C -1.300 174.197 175.510 -0.021 0.000 1.066 233 N CA 0.917 53.960 53.050 -0.012 0.000 0.717 233 N CB -0.655 37.820 38.487 -0.020 0.000 0.885 233 N HN 0.418 nan 8.380 nan 0.000 0.547 234 L N 0.566 121.785 121.223 -0.006 0.000 2.365 234 L HA 0.504 4.824 4.340 -0.033 0.000 0.273 234 L C 0.100 177.001 176.870 0.052 0.000 1.000 234 L CA -0.696 54.141 54.840 -0.005 0.000 0.819 234 L CB 2.291 44.343 42.059 -0.012 0.000 1.284 234 L HN 0.225 nan 8.230 nan 0.000 0.418 235 H N 1.485 120.510 119.070 -0.075 0.000 2.840 235 H HA 0.407 4.943 4.556 -0.033 0.000 0.340 235 H C -1.495 173.797 175.328 -0.059 0.000 1.004 235 H CA -0.365 55.647 56.048 -0.059 0.000 1.288 235 H CB 2.083 31.814 29.762 -0.052 0.000 1.607 235 H HN 0.557 nan 8.280 nan 0.000 0.522 236 S N 3.817 119.636 115.700 0.198 0.000 2.449 236 S HA 0.086 4.537 4.470 -0.033 0.000 0.310 236 S C -0.567 174.050 174.600 0.029 0.000 1.096 236 S CA -0.814 57.408 58.200 0.037 0.000 1.095 236 S CB 1.183 64.394 63.200 0.018 0.000 1.007 236 S HN 0.786 nan 8.310 nan 0.000 0.474 237 E N 3.737 123.884 120.200 -0.089 0.000 1.996 237 E HA 0.498 4.829 4.350 -0.033 0.000 0.280 237 E C 0.256 176.839 176.600 -0.029 0.000 1.092 237 E CA 0.075 56.442 56.400 -0.055 0.000 0.862 237 E CB -0.113 29.544 29.700 -0.072 0.000 1.066 237 E HN 1.001 nan 8.360 nan 0.000 0.396 238 G N 2.750 111.542 108.800 -0.013 0.000 2.692 238 G HA2 0.166 4.106 3.960 -0.033 0.000 0.686 238 G HA3 0.166 4.106 3.960 -0.033 0.000 0.686 238 G C 0.489 175.388 174.900 -0.001 0.000 1.243 238 G CA -0.678 44.410 45.100 -0.021 0.000 0.782 238 G HN 1.243 nan 8.290 nan 0.000 0.625 239 G N -0.172 108.634 108.800 0.011 0.000 2.566 239 G HA2 0.042 3.982 3.960 -0.033 0.000 0.280 239 G HA3 0.042 3.982 3.960 -0.033 0.000 0.280 239 G C 0.189 175.092 174.900 0.004 0.000 1.225 239 G CA 0.616 45.723 45.100 0.012 0.000 0.966 239 G HN 1.843 nan 8.290 nan 0.000 0.560 240 I N 1.161 121.726 120.570 -0.008 0.000 2.499 240 I HA 0.528 4.678 4.170 -0.033 0.000 0.288 240 I C 1.268 177.361 176.117 -0.040 0.000 1.048 240 I CA -0.276 61.005 61.300 -0.031 0.000 1.062 240 I CB 1.749 39.716 38.000 -0.054 0.000 1.238 240 I HN 0.875 nan 8.210 nan 0.000 0.426 241 A N 6.040 128.834 122.820 -0.044 0.000 1.858 241 A HA -0.044 4.257 4.320 -0.033 0.000 0.216 241 A C 0.810 178.322 177.584 -0.121 0.000 1.190 241 A CA 1.476 53.482 52.037 -0.052 0.000 0.617 241 A CB -0.041 18.944 19.000 -0.026 0.000 0.827 241 A HN 0.514 nan 8.150 nan 0.000 0.443 242 L N -0.012 121.100 121.223 -0.185 0.000 2.337 242 L HA 0.420 4.740 4.340 -0.033 0.000 0.269 242 L C 0.022 176.696 176.870 -0.326 0.000 1.018 242 L CA -0.356 54.296 54.840 -0.313 0.000 0.876 242 L CB 0.862 42.684 42.059 -0.395 0.000 1.236 242 L HN 0.300 nan 8.230 nan 0.000 0.436 243 R N 5.269 125.604 120.500 -0.276 0.000 2.235 243 R HA 0.388 4.708 4.340 -0.033 0.000 0.338 243 R C -0.634 175.495 176.300 -0.285 0.000 1.087 243 R CA -0.262 55.697 56.100 -0.235 0.000 0.948 243 R CB 0.459 30.671 30.300 -0.146 0.000 1.099 243 R HN 0.675 nan 8.270 nan 0.000 0.483 244 M N 3.741 123.158 119.600 -0.305 0.000 3.512 244 M HA 0.170 4.631 4.480 -0.033 0.000 0.231 244 M C -0.463 175.821 176.300 -0.027 0.000 1.345 244 M CA 0.309 55.482 55.300 -0.212 0.000 1.504 244 M CB 0.623 33.049 32.600 -0.290 0.000 1.074 244 M HN 0.367 nan 8.290 nan 0.000 0.615 245 E N 1.970 122.094 120.200 -0.127 0.000 2.101 245 E HA 0.196 4.526 4.350 -0.033 0.000 0.260 245 E C -0.471 175.991 176.600 -0.231 0.000 0.897 245 E CA -0.309 56.051 56.400 -0.066 0.000 0.744 245 E CB 1.080 30.768 29.700 -0.021 0.000 1.140 245 E HN 0.362 nan 8.360 nan 0.000 0.419 246 T N 1.831 116.254 114.554 -0.217 0.000 3.145 246 T HA 0.254 4.585 4.350 -0.033 0.000 0.348 246 T C -0.350 174.093 174.700 -0.429 0.000 1.299 246 T CA -0.850 61.076 62.100 -0.290 0.000 1.037 246 T CB 0.245 68.917 68.868 -0.326 0.000 1.122 246 T HN 0.421 nan 8.240 nan 0.000 0.600 247 D N 2.229 122.487 120.400 -0.236 0.000 2.732 247 D HA 0.516 5.136 4.640 -0.033 0.000 0.292 247 D C -1.011 175.365 176.300 0.126 0.000 1.135 247 D CA -0.637 53.180 54.000 -0.305 0.000 1.071 247 D CB 2.016 42.414 40.800 -0.668 0.000 1.457 247 D HN 0.586 nan 8.370 nan 0.000 0.547 248 N N -0.920 117.910 118.700 0.216 0.000 4.540 248 N HA -0.153 4.567 4.740 -0.033 0.000 0.358 248 N C -0.650 174.973 175.510 0.188 0.000 2.139 248 N CA -0.013 53.120 53.050 0.140 0.000 2.691 248 N CB -0.798 37.628 38.487 -0.102 0.000 0.455 248 N HN 0.426 nan 8.380 nan 0.000 0.569 249 L N 1.409 122.702 121.223 0.117 0.000 1.956 249 L HA 0.038 4.358 4.340 -0.033 0.000 0.216 249 L C 2.070 178.992 176.870 0.087 0.000 1.073 249 L CA 1.941 56.837 54.840 0.095 0.000 0.762 249 L CB -1.111 41.010 42.059 0.103 0.000 0.889 249 L HN 0.692 nan 8.230 nan 0.000 0.433 250 L N -1.031 120.252 121.223 0.100 0.000 2.137 250 L HA -0.281 4.040 4.340 -0.033 0.000 0.213 250 L C 2.485 179.474 176.870 0.199 0.000 1.085 250 L CA 1.984 56.916 54.840 0.153 0.000 0.760 250 L CB -0.808 41.267 42.059 0.026 0.000 0.893 250 L HN 0.381 nan 8.230 nan 0.000 0.434 251 M N -1.927 117.768 119.600 0.159 0.000 2.248 251 M HA -0.153 4.308 4.480 -0.033 0.000 0.265 251 M C 2.207 178.632 176.300 0.209 0.000 1.079 251 M CA 0.942 56.364 55.300 0.204 0.000 1.150 251 M CB -0.200 32.532 32.600 0.219 0.000 1.366 251 M HN 0.019 nan 8.290 nan 0.000 0.433 252 K N 1.365 121.784 120.400 0.032 0.000 1.987 252 K HA -0.186 4.115 4.320 -0.033 0.000 0.216 252 K C 1.496 177.935 176.600 -0.268 0.000 1.051 252 K CA 2.084 58.051 56.287 -0.533 0.000 0.942 252 K CB -0.265 31.775 32.500 -0.768 0.000 0.722 252 K HN 0.183 nan 8.250 nan 0.000 0.444 253 N N -0.623 118.002 118.700 -0.124 0.000 2.069 253 N HA -0.164 4.556 4.740 -0.033 0.000 0.191 253 N C 1.623 177.085 175.510 -0.079 0.000 1.031 253 N CA 1.562 54.555 53.050 -0.095 0.000 0.852 253 N CB -0.451 38.015 38.487 -0.034 0.000 1.018 253 N HN 0.310 nan 8.380 nan 0.000 0.423 254 Y N 0.507 120.794 120.300 -0.022 0.000 2.511 254 Y HA 0.172 4.704 4.550 -0.031 0.000 0.279 254 Y C 0.351 176.264 175.900 0.021 0.000 1.157 254 Y CA 0.008 58.115 58.100 0.012 0.000 1.300 254 Y CB 0.009 38.496 38.460 0.045 0.000 1.052 254 Y HN -0.080 nan 8.280 nan 0.000 0.529 255 K N 0.876 121.355 120.400 0.132 0.000 3.035 255 K HA -0.274 4.026 4.320 -0.033 0.000 0.262 255 K C -0.568 176.109 176.600 0.128 0.000 1.024 255 K CA 0.677 57.024 56.287 0.100 0.000 0.748 255 K CB -1.554 30.977 32.500 0.052 0.000 1.247 255 K HN 0.467 nan 8.250 nan 0.000 0.482 256 Q N -1.024 118.870 119.800 0.156 0.000 2.359 256 Q HA 0.647 4.967 4.340 -0.033 0.000 0.274 256 Q C 0.237 176.222 176.000 -0.025 0.000 1.074 256 Q CA -0.339 55.560 55.803 0.159 0.000 0.810 256 Q CB 2.679 31.590 28.738 0.288 0.000 1.342 256 Q HN 0.318 nan 8.270 nan 0.000 0.427 257 G N 0.348 108.943 108.800 -0.341 0.000 2.297 257 G HA2 0.357 4.297 3.960 -0.033 0.000 0.209 257 G HA3 0.357 4.297 3.960 -0.033 0.000 0.209 257 G C -0.153 174.344 174.900 -0.673 0.000 1.267 257 G CA -0.120 44.349 45.100 -1.053 0.000 1.127 257 G HN 1.401 nan 8.290 nan 0.000 0.498 258 G N -1.377 107.077 108.800 -0.577 0.000 2.710 258 G HA2 0.454 4.394 3.960 -0.033 0.000 0.668 258 G HA3 0.454 4.394 3.960 -0.033 0.000 0.668 258 G C -0.141 174.561 174.900 -0.330 0.000 1.320 258 G CA 0.238 45.110 45.100 -0.381 0.000 0.860 258 G HN 2.396 nan 8.290 nan 0.000 0.538 259 I N -2.734 117.729 120.570 -0.178 0.000 2.530 259 I HA 0.974 5.124 4.170 -0.033 0.000 0.297 259 I C -0.122 176.028 176.117 0.055 0.000 1.011 259 I CA -1.280 60.004 61.300 -0.027 0.000 1.107 259 I CB 2.245 40.285 38.000 0.066 0.000 1.285 259 I HN 0.724 nan 8.210 nan 0.000 0.436 260 R N 3.700 124.264 120.500 0.107 0.000 2.564 260 R HA 0.412 4.732 4.340 -0.033 0.000 0.284 260 R C -1.050 175.329 176.300 0.132 0.000 1.031 260 R CA -0.786 55.385 56.100 0.117 0.000 0.904 260 R CB 1.340 31.715 30.300 0.125 0.000 1.199 260 R HN 0.862 nan 8.270 nan 0.000 0.443 261 N N 2.484 121.235 118.700 0.086 0.000 2.708 261 N HA -0.179 4.541 4.740 -0.033 0.000 0.255 261 N C -0.779 174.761 175.510 0.049 0.000 1.046 261 N CA 0.864 53.941 53.050 0.044 0.000 0.715 261 N CB -0.768 37.803 38.487 0.141 0.000 0.895 261 N HN 0.387 nan 8.380 nan 0.000 0.545 262 I N 0.628 121.184 120.570 -0.023 0.000 2.365 262 I HA 0.377 4.528 4.170 -0.033 0.000 0.291 262 I C 0.719 176.721 176.117 -0.192 0.000 1.004 262 I CA -0.242 61.089 61.300 0.052 0.000 1.311 262 I CB 0.210 38.307 38.000 0.162 0.000 1.401 262 I HN -0.039 nan 8.210 nan 0.000 0.491 263 F N 3.940 123.943 119.950 0.088 0.000 2.495 263 F HA 0.716 5.223 4.527 -0.034 0.000 0.327 263 F C 0.346 176.140 175.800 -0.009 0.000 1.103 263 F CA -0.524 57.476 58.000 0.000 0.000 0.949 263 F CB 2.025 40.908 39.000 -0.194 0.000 1.142 263 F HN 0.523 nan 8.300 nan 0.000 0.457 264 A N 2.198 125.150 122.820 0.220 0.000 2.498 264 A HA 0.728 5.028 4.320 -0.033 0.000 0.298 264 A C -1.924 175.764 177.584 0.172 0.000 1.075 264 A CA -0.568 51.571 52.037 0.170 0.000 0.714 264 A CB 1.872 20.946 19.000 0.123 0.000 1.299 264 A HN 0.669 nan 8.150 nan 0.000 0.407 265 D N 0.419 120.897 120.400 0.130 0.000 2.977 265 D HA 0.466 5.086 4.640 -0.033 0.000 0.220 265 D C -0.624 175.720 176.300 0.074 0.000 1.267 265 D CA 0.189 54.266 54.000 0.130 0.000 0.884 265 D CB 0.837 41.744 40.800 0.179 0.000 1.667 265 D HN 0.564 nan 8.370 nan 0.000 0.536 266 N N 3.231 121.964 118.700 0.055 0.000 2.765 266 N HA -0.107 4.613 4.740 -0.033 0.000 0.254 266 N C -1.476 174.032 175.510 -0.002 0.000 1.094 266 N CA 0.302 53.364 53.050 0.020 0.000 0.680 266 N CB -0.813 37.684 38.487 0.017 0.000 0.902 266 N HN 0.422 nan 8.380 nan 0.000 0.557 267 I N 0.987 121.551 120.570 -0.010 0.000 2.354 267 I HA 0.429 4.580 4.170 -0.033 0.000 0.292 267 I C 0.843 176.922 176.117 -0.064 0.000 0.989 267 I CA -0.312 60.967 61.300 -0.035 0.000 1.188 267 I CB 1.530 39.503 38.000 -0.046 0.000 1.342 267 I HN 0.237 nan 8.210 nan 0.000 0.457 268 R N 4.380 124.826 120.500 -0.092 0.000 2.686 268 R HA 0.656 4.976 4.340 -0.033 0.000 0.283 268 R C -1.539 174.706 176.300 -0.092 0.000 0.978 268 R CA -0.388 55.603 56.100 -0.182 0.000 0.897 268 R CB 2.290 32.322 30.300 -0.447 0.000 1.192 268 R HN 0.794 nan 8.270 nan 0.000 0.457 269 c N 2.623 121.180 118.600 -0.072 0.000 2.507 269 c HA 0.806 5.356 4.570 -0.033 0.000 0.319 269 c C -0.814 173.308 174.090 0.052 0.000 1.208 269 c CA -0.244 56.104 56.329 0.032 0.000 1.619 269 c CB 1.122 43.637 42.510 0.008 0.000 2.230 269 c HN 0.852 nan 8.230 nan 0.000 0.492 270 S N 3.596 119.387 115.700 0.151 0.000 2.538 270 S HA 0.608 5.058 4.470 -0.033 0.000 0.288 270 S C -0.621 173.998 174.600 0.032 0.000 1.108 270 S CA -0.747 57.510 58.200 0.094 0.000 0.971 270 S CB 1.287 64.585 63.200 0.164 0.000 1.041 270 S HN 0.942 nan 8.310 nan 0.000 0.483 271 K N 0.324 120.720 120.400 -0.006 0.000 3.071 271 K HA -0.177 4.124 4.320 -0.033 0.000 0.262 271 K C 0.510 177.102 176.600 -0.013 0.000 0.977 271 K CA 0.866 57.141 56.287 -0.021 0.000 0.721 271 K CB -1.813 30.670 32.500 -0.030 0.000 1.293 271 K HN 0.985 nan 8.250 nan 0.000 0.475 272 G N -0.872 107.927 108.800 -0.000 0.000 3.086 272 G HA2 0.570 4.510 3.960 -0.033 0.000 0.282 272 G HA3 0.570 4.510 3.960 -0.033 0.000 0.282 272 G C 0.512 175.421 174.900 0.015 0.000 1.343 272 G CA -0.915 44.190 45.100 0.009 0.000 0.895 272 G HN 0.039 nan 8.290 nan 0.000 0.557 273 L N -0.114 121.121 121.223 0.020 0.000 2.084 273 L HA 0.493 4.814 4.340 -0.033 0.000 0.202 273 L C 1.254 178.130 176.870 0.011 0.000 1.074 273 L CA 1.381 56.234 54.840 0.022 0.000 0.757 273 L CB -0.146 41.932 42.059 0.031 0.000 0.918 273 L HN 0.639 nan 8.230 nan 0.000 0.444 274 A N -1.893 120.926 122.820 -0.001 0.000 2.594 274 A HA 0.664 4.964 4.320 -0.033 0.000 0.296 274 A C 0.161 177.727 177.584 -0.031 0.000 1.061 274 A CA -0.006 52.022 52.037 -0.014 0.000 0.689 274 A CB 0.813 19.800 19.000 -0.022 0.000 1.280 274 A HN 0.041 nan 8.150 nan 0.000 0.406 275 A N 0.631 123.429 122.820 -0.036 0.000 1.873 275 A HA 0.404 4.705 4.320 -0.033 0.000 0.215 275 A C 0.747 178.269 177.584 -0.104 0.000 1.186 275 A CA 1.964 53.968 52.037 -0.055 0.000 0.616 275 A CB -0.257 18.715 19.000 -0.048 0.000 0.823 275 A HN 1.386 nan 8.150 nan 0.000 0.442 276 V N 0.736 120.580 119.914 -0.118 0.000 2.531 276 V HA 0.524 4.625 4.120 -0.033 0.000 0.301 276 V C -0.563 175.385 176.094 -0.243 0.000 1.034 276 V CA -0.345 61.823 62.300 -0.221 0.000 0.865 276 V CB 1.636 33.342 31.823 -0.196 0.000 0.995 276 V HN 0.588 nan 8.190 nan 0.000 0.424 277 M N 5.907 125.283 119.600 -0.374 0.000 2.326 277 M HA 0.608 5.068 4.480 -0.033 0.000 0.292 277 M C -2.367 173.673 176.300 -0.432 0.000 1.081 277 M CA -0.337 54.805 55.300 -0.262 0.000 0.919 277 M CB 1.973 34.505 32.600 -0.113 0.000 1.634 277 M HN 0.497 nan 8.290 nan 0.000 0.451 278 F N 2.287 122.200 119.950 -0.062 0.000 2.411 278 F HA 0.693 5.201 4.527 -0.032 0.000 0.352 278 F C 0.877 176.798 175.800 0.203 0.000 1.123 278 F CA -0.432 57.548 58.000 -0.034 0.000 1.044 278 F CB 2.105 40.992 39.000 -0.189 0.000 1.135 278 F HN 0.690 nan 8.300 nan 0.000 0.461 279 G N 4.355 113.427 108.800 0.454 0.000 2.975 279 G HA2 0.337 4.277 3.960 -0.033 0.000 0.299 279 G HA3 0.337 4.277 3.960 -0.033 0.000 0.299 279 G C -2.513 172.567 174.900 0.299 0.000 1.587 279 G CA -1.114 44.202 45.100 0.360 0.000 1.052 279 G HN 0.331 nan 8.290 nan 0.000 0.545 280 P HA -0.068 nan 4.420 nan 0.000 0.236 280 P C 1.097 178.249 177.300 -0.246 0.000 1.177 280 P CA 0.499 63.475 63.100 -0.207 0.000 0.773 280 P CB 0.419 31.856 31.700 -0.438 0.000 0.878 281 H N -0.087 118.750 119.070 -0.389 0.000 1.452 281 H HA -0.266 4.271 4.556 -0.032 0.000 0.090 281 H C 1.144 176.092 175.328 -0.634 0.000 0.942 281 H CA 2.291 57.896 56.048 -0.739 0.000 1.901 281 H CB -2.051 27.257 29.762 -0.757 0.000 2.257 281 H HN 0.296 nan 8.280 nan 0.000 0.961 282 F N -0.762 119.048 119.950 -0.233 0.000 2.720 282 F HA 0.462 4.969 4.527 -0.034 0.000 0.301 282 F C 0.979 176.678 175.800 -0.168 0.000 1.103 282 F CA -0.384 57.487 58.000 -0.215 0.000 1.291 282 F CB 0.392 39.285 39.000 -0.178 0.000 1.086 282 F HN -0.024 nan 8.300 nan 0.000 0.592 283 M N 2.646 121.978 119.600 -0.447 0.000 2.233 283 M HA 0.183 4.643 4.480 -0.033 0.000 0.350 283 M C -0.076 176.054 176.300 -0.284 0.000 1.176 283 M CA 0.012 55.131 55.300 -0.302 0.000 1.150 283 M CB 1.168 33.501 32.600 -0.445 0.000 1.530 283 M HN 0.221 nan 8.290 nan 0.000 0.459 284 K N 4.264 124.548 120.400 -0.192 0.000 2.268 284 K HA 0.230 4.531 4.320 -0.033 0.000 0.276 284 K C -0.583 175.864 176.600 -0.255 0.000 1.080 284 K CA -0.344 55.825 56.287 -0.197 0.000 0.910 284 K CB 0.421 32.875 32.500 -0.077 0.000 1.163 284 K HN 0.563 nan 8.250 nan 0.000 0.465 285 N N 2.044 120.489 118.700 -0.426 0.000 2.476 285 N HA 0.190 4.911 4.740 -0.033 0.000 0.275 285 N C 0.389 175.812 175.510 -0.146 0.000 1.190 285 N CA -0.326 52.490 53.050 -0.390 0.000 0.977 285 N CB 1.602 39.584 38.487 -0.841 0.000 1.200 285 N HN 0.715 nan 8.380 nan 0.000 0.515 286 G N -0.134 108.657 108.800 -0.016 0.000 2.873 286 G HA2 0.065 4.005 3.960 -0.033 0.000 0.170 286 G HA3 0.065 4.005 3.960 -0.033 0.000 0.170 286 G C -0.431 174.539 174.900 0.116 0.000 1.608 286 G CA -0.018 45.115 45.100 0.055 0.000 1.084 286 G HN 0.447 nan 8.290 nan 0.000 0.563 287 D N -0.483 119.970 120.400 0.088 0.000 2.193 287 D HA 0.541 5.162 4.640 -0.033 0.000 0.249 287 D C -0.369 175.954 176.300 0.038 0.000 1.034 287 D CA -0.005 54.031 54.000 0.061 0.000 0.902 287 D CB 2.008 42.821 40.800 0.022 0.000 1.182 287 D HN 0.049 nan 8.370 nan 0.000 0.436 288 V N 1.493 121.422 119.914 0.024 0.000 2.709 288 V HA 0.396 4.497 4.120 -0.033 0.000 0.308 288 V C -0.495 175.595 176.094 -0.007 0.000 1.062 288 V CA -0.877 61.428 62.300 0.009 0.000 0.901 288 V CB 2.084 34.012 31.823 0.176 0.000 1.003 288 V HN 0.437 nan 8.190 nan 0.000 0.425 289 Q N 2.830 122.580 119.800 -0.083 0.000 2.321 289 Q HA 0.755 5.076 4.340 -0.033 0.000 0.270 289 Q C -2.122 173.998 176.000 0.200 0.000 1.032 289 Q CA -0.440 55.422 55.803 0.097 0.000 0.784 289 Q CB 2.368 31.177 28.738 0.119 0.000 1.264 289 Q HN 0.608 nan 8.270 nan 0.000 0.448 290 V N 3.116 123.199 119.914 0.281 0.000 2.540 290 V HA 0.599 4.700 4.120 -0.033 0.000 0.302 290 V C -0.198 176.098 176.094 0.337 0.000 1.035 290 V CA -0.558 61.893 62.300 0.252 0.000 0.873 290 V CB 1.752 33.681 31.823 0.177 0.000 0.992 290 V HN 0.946 nan 8.190 nan 0.000 0.428 291 T N 0.613 115.331 114.554 0.275 0.000 2.887 291 T HA 0.634 4.964 4.350 -0.033 0.000 0.288 291 T C -0.151 174.647 174.700 0.163 0.000 1.021 291 T CA -0.732 61.520 62.100 0.254 0.000 1.000 291 T CB 1.460 70.434 68.868 0.176 0.000 1.034 291 T HN 0.823 nan 8.240 nan 0.000 0.467 292 N N 0.569 119.355 118.700 0.143 0.000 2.590 292 N HA -0.142 4.578 4.740 -0.033 0.000 0.273 292 N C -1.223 174.320 175.510 0.056 0.000 1.210 292 N CA 0.305 53.405 53.050 0.084 0.000 0.676 292 N CB -1.307 37.217 38.487 0.061 0.000 0.881 292 N HN 0.706 nan 8.380 nan 0.000 0.550 293 V N 1.923 121.868 119.914 0.052 0.000 2.459 293 V HA 0.802 4.902 4.120 -0.033 0.000 0.295 293 V C 0.381 176.478 176.094 0.005 0.000 1.029 293 V CA -0.043 62.270 62.300 0.021 0.000 0.874 293 V CB 1.821 33.661 31.823 0.028 0.000 0.985 293 V HN 0.704 nan 8.190 nan 0.000 0.438 294 S N 2.804 118.489 115.700 -0.025 0.000 2.595 294 S HA 0.952 5.403 4.470 -0.033 0.000 0.281 294 S C -0.615 173.957 174.600 -0.047 0.000 1.117 294 S CA -0.476 57.706 58.200 -0.030 0.000 0.873 294 S CB 2.250 65.422 63.200 -0.047 0.000 1.108 294 S HN 1.238 nan 8.310 nan 0.000 0.477 295 S N -0.213 115.473 115.700 -0.022 0.000 2.537 295 S HA 0.747 5.198 4.470 -0.033 0.000 0.270 295 S C -1.412 173.189 174.600 0.001 0.000 1.142 295 S CA -0.734 57.455 58.200 -0.019 0.000 0.870 295 S CB 1.264 64.470 63.200 0.010 0.000 1.112 295 S HN 1.851 nan 8.310 nan 0.000 0.466 296 V N 2.026 121.933 119.914 -0.012 0.000 2.588 296 V HA 0.784 4.885 4.120 -0.033 0.000 0.304 296 V C 0.383 176.449 176.094 -0.047 0.000 1.042 296 V CA 0.715 63.005 62.300 -0.017 0.000 0.877 296 V CB 1.172 32.982 31.823 -0.021 0.000 0.996 296 V HN 2.127 nan 8.190 nan 0.000 0.425 297 S N 3.844 119.477 115.700 -0.112 0.000 3.682 297 S HA -0.157 4.293 4.470 -0.033 0.000 0.354 297 S C 0.003 174.548 174.600 -0.092 0.000 1.034 297 S CA 0.852 58.948 58.200 -0.173 0.000 1.084 297 S CB -1.488 61.627 63.200 -0.141 0.000 0.903 297 S HN 1.153 nan 8.310 nan 0.000 0.470 298 c N -0.246 118.327 118.600 -0.044 0.000 2.595 298 c HA 0.762 5.312 4.570 -0.033 0.000 0.338 298 c C 2.345 176.449 174.090 0.023 0.000 1.219 298 c CA -0.422 55.905 56.329 -0.004 0.000 1.811 298 c CB 0.771 43.288 42.510 0.012 0.000 2.313 298 c HN 0.682 nan 8.230 nan 0.000 0.499 299 G N 1.266 110.083 108.800 0.028 0.000 2.599 299 G HA2 0.037 3.977 3.960 -0.033 0.000 0.219 299 G HA3 0.037 3.977 3.960 -0.033 0.000 0.219 299 G C 0.488 175.423 174.900 0.059 0.000 1.193 299 G CA 1.850 46.974 45.100 0.038 0.000 0.778 299 G HN 1.214 nan 8.290 nan 0.000 0.589 300 S N -3.149 112.577 115.700 0.042 0.000 2.615 300 S HA 0.674 5.124 4.470 -0.033 0.000 0.269 300 S C 0.637 175.252 174.600 0.024 0.000 1.161 300 S CA 0.409 58.633 58.200 0.041 0.000 0.817 300 S CB 1.250 64.448 63.200 -0.004 0.000 1.131 300 S HN 0.898 nan 8.310 nan 0.000 0.467 301 A N 0.658 123.487 122.820 0.015 0.000 1.898 301 A HA 0.493 4.794 4.320 -0.033 0.000 0.214 301 A C 0.659 178.237 177.584 -0.011 0.000 1.183 301 A CA 1.222 53.260 52.037 0.002 0.000 0.622 301 A CB -0.489 18.512 19.000 0.001 0.000 0.824 301 A HN 1.027 nan 8.150 nan 0.000 0.444 302 V N -0.225 119.682 119.914 -0.011 0.000 2.656 302 V HA 0.529 4.629 4.120 -0.033 0.000 0.307 302 V C -0.244 175.855 176.094 0.008 0.000 1.051 302 V CA -0.764 61.538 62.300 0.004 0.000 0.893 302 V CB 1.676 33.515 31.823 0.026 0.000 0.999 302 V HN 0.511 nan 8.190 nan 0.000 0.426 303 R N 2.384 122.904 120.500 0.033 0.000 2.561 303 R HA 0.691 5.011 4.340 -0.033 0.000 0.297 303 R C -1.117 175.262 176.300 0.131 0.000 0.969 303 R CA -0.223 55.904 56.100 0.045 0.000 0.879 303 R CB 1.984 32.297 30.300 0.023 0.000 1.178 303 R HN 0.725 nan 8.270 nan 0.000 0.445 304 S N 2.809 118.569 115.700 0.101 0.000 2.478 304 S HA 0.351 4.801 4.470 -0.033 0.000 0.312 304 S C -1.339 173.331 174.600 0.118 0.000 1.094 304 S CA -0.866 57.426 58.200 0.153 0.000 1.081 304 S CB 1.461 64.659 63.200 -0.003 0.000 1.007 304 S HN 0.518 nan 8.310 nan 0.000 0.475 305 D N 1.423 121.955 120.400 0.221 0.000 2.198 305 D HA 0.336 4.956 4.640 -0.033 0.000 0.247 305 D C 0.125 176.573 176.300 0.246 0.000 1.010 305 D CA -0.345 53.764 54.000 0.182 0.000 0.880 305 D CB 1.599 42.508 40.800 0.182 0.000 1.209 305 D HN 0.389 nan 8.370 nan 0.000 0.451 306 S N -0.019 115.783 115.700 0.170 0.000 2.573 306 S HA 0.397 4.847 4.470 -0.033 0.000 0.277 306 S C 0.705 175.471 174.600 0.276 0.000 1.346 306 S CA -0.361 57.970 58.200 0.219 0.000 1.034 306 S CB 0.355 63.647 63.200 0.153 0.000 0.879 306 S HN 0.444 nan 8.310 nan 0.000 0.528 307 G N 1.568 110.519 108.800 0.252 0.000 2.599 307 G HA2 0.573 4.514 3.960 -0.033 0.000 0.264 307 G HA3 0.573 4.514 3.960 -0.033 0.000 0.264 307 G C -0.775 174.219 174.900 0.156 0.000 1.200 307 G CA -0.365 44.776 45.100 0.069 0.000 0.896 307 G HN 0.913 nan 8.290 nan 0.000 0.536 308 F N -2.045 117.915 119.950 0.017 0.000 2.770 308 F HA 0.577 5.084 4.527 -0.032 0.000 0.313 308 F C -0.860 174.975 175.800 0.057 0.000 1.154 308 F CA -1.777 56.232 58.000 0.015 0.000 0.923 308 F CB 1.036 40.046 39.000 0.017 0.000 1.301 308 F HN 0.625 nan 8.300 nan 0.000 0.449 309 V N -0.798 119.289 119.914 0.289 0.000 2.513 309 V HA 0.744 4.844 4.120 -0.033 0.000 0.299 309 V C -0.829 175.446 176.094 0.302 0.000 1.035 309 V CA -0.686 61.727 62.300 0.188 0.000 0.889 309 V CB 1.484 33.333 31.823 0.044 0.000 0.988 309 V HN 0.869 nan 8.190 nan 0.000 0.440 310 E N 4.040 124.402 120.200 0.270 0.000 2.176 310 E HA 0.593 4.923 4.350 -0.033 0.000 0.267 310 E C -1.324 175.387 176.600 0.184 0.000 0.893 310 E CA -0.681 55.903 56.400 0.305 0.000 0.761 310 E CB 2.497 32.521 29.700 0.540 0.000 1.133 310 E HN 0.677 nan 8.360 nan 0.000 0.409 311 L N 3.826 125.162 121.223 0.187 0.000 2.257 311 L HA 0.369 4.689 4.340 -0.033 0.000 0.290 311 L C -0.675 176.541 176.870 0.577 0.000 1.044 311 L CA -0.646 54.305 54.840 0.184 0.000 0.810 311 L CB 0.221 42.205 42.059 -0.126 0.000 1.193 311 L HN 0.378 nan 8.230 nan 0.000 0.425 312 F N 1.288 121.283 119.950 0.076 0.000 2.404 312 F HA 0.234 4.741 4.527 -0.033 0.000 0.345 312 F C 1.010 176.606 175.800 -0.340 0.000 1.110 312 F CA -1.298 56.653 58.000 -0.082 0.000 1.130 312 F CB 1.451 40.378 39.000 -0.122 0.000 1.129 312 F HN 0.464 nan 8.300 nan 0.000 0.500 313 S N 3.916 119.043 115.700 -0.956 0.000 2.568 313 S HA 0.308 4.758 4.470 -0.033 0.000 0.282 313 S C -2.623 171.623 174.600 -0.589 0.000 1.338 313 S CA -1.183 56.035 58.200 -1.637 0.000 1.045 313 S CB 0.128 62.148 63.200 -1.968 0.000 0.873 313 S HN 0.301 nan 8.310 nan 0.000 0.516 314 P HA 0.135 nan 4.420 nan 0.000 0.265 314 P C 0.838 178.095 177.300 -0.071 0.000 1.193 314 P CA -0.227 62.808 63.100 -0.108 0.000 0.765 314 P CB 0.312 32.007 31.700 -0.009 0.000 0.823 315 T N -1.627 112.901 114.554 -0.043 0.000 3.113 315 T HA -0.073 4.257 4.350 -0.033 0.000 0.263 315 T C 0.416 175.107 174.700 -0.015 0.000 1.143 315 T CA 1.165 63.245 62.100 -0.033 0.000 1.090 315 T CB -0.582 68.272 68.868 -0.022 0.000 0.922 315 T HN 0.412 nan 8.240 nan 0.000 0.521 316 D N 0.623 121.021 120.400 -0.003 0.000 2.394 316 D HA 0.084 4.705 4.640 -0.033 0.000 0.226 316 D C 0.570 176.872 176.300 0.003 0.000 0.990 316 D CA -0.222 53.779 54.000 0.000 0.000 0.902 316 D CB -0.251 40.550 40.800 0.002 0.000 1.038 316 D HN 0.381 nan 8.370 nan 0.000 0.499 317 E N 0.964 121.175 120.200 0.018 0.000 2.481 317 E HA 0.140 4.470 4.350 -0.033 0.000 0.263 317 E C -0.669 175.925 176.600 -0.011 0.000 0.992 317 E CA 0.022 56.421 56.400 -0.002 0.000 0.938 317 E CB 1.391 31.135 29.700 0.072 0.000 0.933 317 E HN -0.050 nan 8.360 nan 0.000 0.453 318 V N 4.818 124.675 119.914 -0.094 0.000 2.407 318 V HA 0.134 4.235 4.120 -0.033 0.000 0.278 318 V C -0.149 175.856 176.094 -0.147 0.000 1.037 318 V CA -0.242 62.029 62.300 -0.048 0.000 0.900 318 V CB 0.819 32.626 31.823 -0.028 0.000 0.983 318 V HN 0.583 nan 8.190 nan 0.000 0.459 319 H N 2.045 121.175 119.070 0.100 0.000 2.690 319 H HA 0.468 5.005 4.556 -0.033 0.000 0.368 319 H C -0.303 175.086 175.328 0.102 0.000 1.150 319 H CA -0.306 55.802 56.048 0.100 0.000 1.174 319 H CB 2.485 32.300 29.762 0.089 0.000 1.684 319 H HN 0.577 nan 8.280 nan 0.000 0.538 320 T N 0.518 115.073 114.554 0.002 0.000 2.945 320 T HA 0.176 4.507 4.350 -0.033 0.000 0.286 320 T C 1.470 175.637 174.700 -0.888 0.000 1.025 320 T CA -0.591 61.315 62.100 -0.323 0.000 1.039 320 T CB 1.487 70.265 68.868 -0.150 0.000 1.068 320 T HN 0.709 nan 8.240 nan 0.000 0.497 321 R N 1.222 120.723 120.500 -1.665 0.000 2.168 321 R HA -0.205 4.115 4.340 -0.033 0.000 0.242 321 R C 2.211 178.222 176.300 -0.480 0.000 1.123 321 R CA 2.670 57.999 56.100 -1.285 0.000 0.928 321 R CB -0.301 29.370 30.300 -1.048 0.000 0.873 321 R HN 0.725 nan 8.270 nan 0.000 0.434 322 Q N 0.389 119.996 119.800 -0.323 0.000 2.170 322 Q HA -0.129 4.191 4.340 -0.033 0.000 0.203 322 Q C 2.037 177.989 176.000 -0.079 0.000 0.976 322 Q CA 1.997 57.704 55.803 -0.159 0.000 0.858 322 Q CB -0.560 28.110 28.738 -0.113 0.000 0.907 322 Q HN 0.567 nan 8.270 nan 0.000 0.433 323 S N -0.272 115.410 115.700 -0.030 0.000 2.383 323 S HA -0.118 4.332 4.470 -0.033 0.000 0.227 323 S C 1.625 176.376 174.600 0.252 0.000 1.026 323 S CA 0.579 58.855 58.200 0.127 0.000 0.981 323 S CB -0.945 62.371 63.200 0.194 0.000 0.818 323 S HN 0.617 nan 8.310 nan 0.000 0.472 324 W N 2.396 123.644 121.300 -0.088 0.000 2.453 324 W HA 0.063 4.703 4.660 -0.032 0.000 0.289 324 W C 2.247 178.680 176.519 -0.143 0.000 1.215 324 W CA 0.925 58.144 57.345 -0.212 0.000 1.297 324 W CB -0.088 29.199 29.460 -0.288 0.000 1.113 324 W HN 0.314 nan 8.180 nan 0.000 0.551 325 K N 0.615 120.883 120.400 -0.221 0.000 2.103 325 K HA -0.302 3.999 4.320 -0.033 0.000 0.207 325 K C 1.974 178.431 176.600 -0.238 0.000 1.048 325 K CA 1.895 58.014 56.287 -0.280 0.000 0.930 325 K CB -0.154 32.247 32.500 -0.164 0.000 0.716 325 K HN 0.116 nan 8.250 nan 0.000 0.444 326 Q N 0.071 119.791 119.800 -0.134 0.000 2.083 326 Q HA 0.033 4.353 4.340 -0.033 0.000 0.198 326 Q C 1.779 177.727 176.000 -0.085 0.000 0.969 326 Q CA 1.673 57.427 55.803 -0.081 0.000 0.838 326 Q CB -0.255 28.471 28.738 -0.020 0.000 0.900 326 Q HN 0.386 nan 8.270 nan 0.000 0.436 327 A N -0.623 122.154 122.820 -0.072 0.000 1.917 327 A HA -0.179 4.122 4.320 -0.033 0.000 0.219 327 A C 2.222 179.695 177.584 -0.184 0.000 1.182 327 A CA 1.883 53.892 52.037 -0.047 0.000 0.633 327 A CB -0.827 18.241 19.000 0.113 0.000 0.819 327 A HN 0.266 nan 8.150 nan 0.000 0.448 328 V N 0.104 119.761 119.914 -0.428 0.000 2.302 328 V HA -0.157 3.943 4.120 -0.033 0.000 0.243 328 V C 2.380 178.368 176.094 -0.177 0.000 1.036 328 V CA 1.812 63.880 62.300 -0.388 0.000 1.020 328 V CB -0.727 30.693 31.823 -0.672 0.000 0.657 328 V HN 0.569 nan 8.190 nan 0.000 0.453 329 E N -0.012 120.088 120.200 -0.168 0.000 2.267 329 E HA -0.216 4.114 4.350 -0.033 0.000 0.197 329 E C 2.357 178.924 176.600 -0.056 0.000 0.998 329 E CA 1.432 57.776 56.400 -0.093 0.000 0.830 329 E CB -0.292 29.357 29.700 -0.084 0.000 0.751 329 E HN 0.513 nan 8.360 nan 0.000 0.491 330 S N 0.546 116.213 115.700 -0.055 0.000 2.356 330 S HA -0.124 4.326 4.470 -0.033 0.000 0.223 330 S C 1.816 176.408 174.600 -0.014 0.000 1.032 330 S CA 1.220 59.404 58.200 -0.025 0.000 1.005 330 S CB 0.127 63.319 63.200 -0.013 0.000 0.867 330 S HN 0.134 nan 8.310 nan 0.000 0.449 331 K N -0.647 119.750 120.400 -0.004 0.000 2.323 331 K HA 0.226 4.527 4.320 -0.033 0.000 0.197 331 K C 1.348 177.957 176.600 0.014 0.000 1.043 331 K CA 0.247 56.533 56.287 -0.001 0.000 0.997 331 K CB 0.142 32.639 32.500 -0.006 0.000 0.807 331 K HN 0.218 nan 8.250 nan 0.000 0.497 332 L N -0.955 120.281 121.223 0.022 0.000 2.362 332 L HA 0.286 4.606 4.340 -0.033 0.000 0.204 332 L C 0.625 177.497 176.870 0.004 0.000 1.060 332 L CA 0.745 55.601 54.840 0.026 0.000 0.827 332 L CB 0.754 42.832 42.059 0.031 0.000 1.027 332 L HN 0.202 nan 8.230 nan 0.000 0.474 333 G N -0.062 108.731 108.800 -0.013 0.000 2.348 333 G HA2 0.100 4.041 3.960 -0.033 0.000 0.606 333 G HA3 0.100 4.041 3.960 -0.033 0.000 0.606 333 G C -0.948 173.937 174.900 -0.024 0.000 1.466 333 G CA -0.762 44.330 45.100 -0.014 0.000 0.950 333 G HN 0.274 nan 8.290 nan 0.000 0.657 334 R N 0.676 121.163 120.500 -0.022 0.000 2.500 334 R HA 0.358 4.678 4.340 -0.033 0.000 0.281 334 R C 1.224 177.511 176.300 -0.022 0.000 0.953 334 R CA 1.236 57.322 56.100 -0.024 0.000 1.108 334 R CB -0.236 30.054 30.300 -0.017 0.000 0.901 334 R HN 2.738 nan 8.270 nan 0.000 0.410 335 G N 1.918 110.702 108.800 -0.027 0.000 2.205 335 G HA2 -0.337 3.603 3.960 -0.033 0.000 0.261 335 G HA3 -0.337 3.603 3.960 -0.033 0.000 0.261 335 G C 0.745 175.632 174.900 -0.022 0.000 0.980 335 G CA 0.230 45.317 45.100 -0.021 0.000 0.632 335 G HN 0.684 nan 8.290 nan 0.000 0.533 336 c N 1.445 120.027 118.600 -0.029 0.000 2.626 336 c HA 0.691 5.241 4.570 -0.033 0.000 0.266 336 c C 1.691 175.752 174.090 -0.048 0.000 1.317 336 c CA 0.477 56.791 56.329 -0.026 0.000 1.716 336 c CB -1.196 41.303 42.510 -0.017 0.000 1.819 336 c HN 1.002 nan 8.230 nan 0.000 0.578 337 A N 0.571 123.350 122.820 -0.068 0.000 2.330 337 A HA 0.642 4.943 4.320 -0.033 0.000 0.327 337 A C -0.310 177.242 177.584 -0.054 0.000 1.155 337 A CA -0.236 51.747 52.037 -0.090 0.000 0.803 337 A CB 0.704 19.608 19.000 -0.161 0.000 1.208 337 A HN 0.345 nan 8.150 nan 0.000 0.477 338 Q N 0.369 120.149 119.800 -0.033 0.000 2.316 338 Q HA 0.288 4.608 4.340 -0.033 0.000 0.215 338 Q C -0.130 175.871 176.000 0.002 0.000 1.020 338 Q CA -0.044 55.755 55.803 -0.006 0.000 0.970 338 Q CB 0.390 29.135 28.738 0.012 0.000 1.187 338 Q HN 0.733 nan 8.270 nan 0.000 0.546 339 T N 3.874 118.447 114.554 0.032 0.000 2.758 339 T HA 0.129 4.460 4.350 -0.033 0.000 0.281 339 T C -2.213 172.552 174.700 0.107 0.000 0.963 339 T CA -0.774 61.360 62.100 0.057 0.000 1.201 339 T CB -0.405 68.508 68.868 0.075 0.000 0.906 339 T HN 0.235 nan 8.240 nan 0.000 0.528 340 P HA 0.171 nan 4.420 nan 0.000 0.271 340 P C -0.602 176.886 177.300 0.312 0.000 1.220 340 P CA -0.411 62.771 63.100 0.136 0.000 0.768 340 P CB 0.161 31.971 31.700 0.182 0.000 0.848 341 Y N 1.187 121.671 120.300 0.306 0.000 2.519 341 Y HA 0.765 5.296 4.550 -0.033 0.000 0.324 341 Y C 0.024 175.951 175.900 0.046 0.000 1.214 341 Y CA -2.249 55.989 58.100 0.231 0.000 1.260 341 Y CB 0.217 38.734 38.460 0.095 0.000 1.311 341 Y HN 0.448 nan 8.280 nan 0.000 0.505 342 A N 2.130 124.951 122.820 0.002 0.000 2.388 342 A HA 0.447 4.747 4.320 -0.033 0.000 0.257 342 A C -0.008 177.395 177.584 -0.301 0.000 1.095 342 A CA -0.887 50.755 52.037 -0.659 0.000 0.791 342 A CB 0.135 18.781 19.000 -0.589 0.000 1.029 342 A HN 0.660 nan 8.150 nan 0.000 0.489 343 R N 1.875 122.068 120.500 -0.512 0.000 2.325 343 R HA 0.378 4.698 4.340 -0.033 0.000 0.323 343 R C 1.270 177.436 176.300 -0.225 0.000 1.177 343 R CA 1.057 56.978 56.100 -0.298 0.000 1.018 343 R CB -0.660 29.425 30.300 -0.358 0.000 1.070 343 R HN 1.470 nan 8.270 nan 0.000 0.495 344 G N 3.633 112.355 108.800 -0.129 0.000 2.561 344 G HA2 -0.454 3.487 3.960 -0.033 0.000 0.289 344 G HA3 -0.454 3.487 3.960 -0.033 0.000 0.289 344 G C 0.875 175.709 174.900 -0.111 0.000 1.169 344 G CA 0.518 45.561 45.100 -0.094 0.000 0.980 344 G HN 0.536 nan 8.290 nan 0.000 0.550 345 N N 0.587 119.231 118.700 -0.094 0.000 2.171 345 N HA 0.366 5.087 4.740 -0.033 0.000 0.209 345 N C 2.407 177.851 175.510 -0.110 0.000 1.036 345 N CA 2.271 55.270 53.050 -0.085 0.000 1.042 345 N CB -1.096 37.358 38.487 -0.056 0.000 1.280 345 N HN 1.985 nan 8.380 nan 0.000 0.548 346 G N -0.795 107.955 108.800 -0.084 0.000 2.812 346 G HA2 -0.319 3.621 3.960 -0.033 0.000 0.366 346 G HA3 -0.319 3.621 3.960 -0.033 0.000 0.366 346 G C 0.819 175.672 174.900 -0.079 0.000 1.183 346 G CA 1.864 46.916 45.100 -0.079 0.000 1.076 346 G HN 1.581 nan 8.290 nan 0.000 0.750 347 G N -3.681 105.027 108.800 -0.153 0.000 2.173 347 G HA2 0.144 4.084 3.960 -0.033 0.000 0.142 347 G HA3 0.144 4.084 3.960 -0.033 0.000 0.142 347 G C 0.703 175.601 174.900 -0.003 0.000 1.019 347 G CA 1.217 46.232 45.100 -0.141 0.000 0.699 347 G HN 1.731 nan 8.290 nan 0.000 0.495 348 T N -0.161 114.350 114.554 -0.073 0.000 2.975 348 T HA 0.283 4.613 4.350 -0.033 0.000 0.257 348 T C 0.716 175.472 174.700 0.093 0.000 1.003 348 T CA 0.366 62.538 62.100 0.119 0.000 0.932 348 T CB 0.581 69.475 68.868 0.044 0.000 1.087 348 T HN 0.637 nan 8.240 nan 0.000 0.512 349 R N 0.535 120.882 120.500 -0.255 0.000 2.534 349 R HA 0.595 4.916 4.340 -0.033 0.000 0.301 349 R C -2.099 173.842 176.300 -0.597 0.000 0.961 349 R CA -0.824 55.112 56.100 -0.273 0.000 0.871 349 R CB 1.085 31.236 30.300 -0.248 0.000 1.170 349 R HN 0.167 nan 8.270 nan 0.000 0.446 350 W N 1.115 122.151 121.300 -0.440 0.000 2.864 350 W HA 0.732 5.373 4.660 -0.031 0.000 0.343 350 W C -0.686 175.469 176.519 -0.607 0.000 1.109 350 W CA -0.673 56.407 57.345 -0.441 0.000 1.192 350 W CB 2.491 31.826 29.460 -0.209 0.000 1.426 350 W HN 0.851 nan 8.180 nan 0.000 0.529 351 A N 1.471 124.069 122.820 -0.370 0.000 2.393 351 A HA 0.976 5.276 4.320 -0.033 0.000 0.306 351 A C -1.366 176.044 177.584 -0.290 0.000 1.050 351 A CA -0.745 51.022 52.037 -0.451 0.000 0.724 351 A CB 1.209 19.549 19.000 -1.099 0.000 1.248 351 A HN 0.939 nan 8.150 nan 0.000 0.424 352 A N 1.965 124.825 122.820 0.066 0.000 2.393 352 A HA 0.763 5.063 4.320 -0.033 0.000 0.306 352 A C -0.231 177.400 177.584 0.077 0.000 1.050 352 A CA -0.648 51.400 52.037 0.017 0.000 0.724 352 A CB 1.067 20.030 19.000 -0.061 0.000 1.248 352 A HN 0.847 nan 8.150 nan 0.000 0.424 353 R N 1.745 122.301 120.500 0.093 0.000 2.340 353 R HA 0.448 4.769 4.340 -0.033 0.000 0.300 353 R C -0.662 175.665 176.300 0.046 0.000 1.069 353 R CA -0.290 55.883 56.100 0.121 0.000 0.984 353 R CB 0.769 31.113 30.300 0.073 0.000 1.003 353 R HN 0.552 nan 8.270 nan 0.000 0.459 354 V N 4.155 124.103 119.914 0.055 0.000 2.572 354 V HA -0.012 4.088 4.120 -0.033 0.000 0.291 354 V C 0.645 176.754 176.094 0.025 0.000 1.039 354 V CA 0.087 62.395 62.300 0.014 0.000 1.055 354 V CB 1.270 33.100 31.823 0.012 0.000 0.969 354 V HN 0.840 nan 8.190 nan 0.000 0.482 355 T N 4.855 119.414 114.554 0.007 0.000 2.939 355 T HA -0.019 4.311 4.350 -0.033 0.000 0.319 355 T C 0.533 175.251 174.700 0.030 0.000 1.082 355 T CA -0.096 62.011 62.100 0.012 0.000 1.133 355 T CB 0.137 69.007 68.868 0.005 0.000 1.019 355 T HN 0.627 nan 8.240 nan 0.000 0.548 356 Q N 2.528 122.348 119.800 0.034 0.000 3.184 356 Q HA 0.220 4.540 4.340 -0.033 0.000 0.288 356 Q C -0.112 175.921 176.000 0.055 0.000 1.412 356 Q CA 0.381 56.216 55.803 0.054 0.000 0.991 356 Q CB -0.075 28.695 28.738 0.053 0.000 1.688 356 Q HN 0.461 nan 8.270 nan 0.000 0.554 357 K N 0.815 121.249 120.400 0.057 0.000 2.443 357 K HA 0.157 4.458 4.320 -0.033 0.000 0.252 357 K C -0.060 176.586 176.600 0.077 0.000 0.933 357 K CA -0.546 55.774 56.287 0.056 0.000 0.792 357 K CB 1.368 33.891 32.500 0.037 0.000 1.185 357 K HN 0.010 nan 8.250 nan 0.000 0.425 358 D N 2.312 122.764 120.400 0.086 0.000 2.116 358 D HA -0.225 4.396 4.640 -0.033 0.000 0.193 358 D C 1.584 177.942 176.300 0.098 0.000 0.998 358 D CA 1.728 55.797 54.000 0.114 0.000 0.836 358 D CB -0.081 40.770 40.800 0.085 0.000 0.951 358 D HN 0.683 nan 8.370 nan 0.000 0.449 359 A N 0.984 123.843 122.820 0.065 0.000 1.859 359 A HA -0.286 4.014 4.320 -0.033 0.000 0.218 359 A C 2.691 180.308 177.584 0.056 0.000 1.209 359 A CA 2.211 54.280 52.037 0.053 0.000 0.639 359 A CB -1.266 17.755 19.000 0.035 0.000 0.835 359 A HN 0.415 nan 8.150 nan 0.000 0.450 360 c N -1.266 117.363 118.600 0.047 0.000 2.393 360 c HA -0.138 4.413 4.570 -0.033 0.000 0.276 360 c C 2.534 176.656 174.090 0.053 0.000 1.215 360 c CA 1.142 57.495 56.329 0.041 0.000 1.743 360 c CB -1.622 40.905 42.510 0.028 0.000 2.044 360 c HN 0.588 nan 8.230 nan 0.000 0.464 361 L N 0.920 122.181 121.223 0.063 0.000 2.079 361 L HA -0.132 4.188 4.340 -0.033 0.000 0.210 361 L C 2.099 179.024 176.870 0.092 0.000 1.081 361 L CA 1.853 56.726 54.840 0.054 0.000 0.752 361 L CB -1.441 40.669 42.059 0.086 0.000 0.896 361 L HN 0.324 nan 8.230 nan 0.000 0.433 362 D N -0.534 119.938 120.400 0.121 0.000 2.084 362 D HA -0.165 4.455 4.640 -0.033 0.000 0.194 362 D C 2.160 178.511 176.300 0.085 0.000 0.990 362 D CA 1.079 55.150 54.000 0.118 0.000 0.826 362 D CB 0.141 40.998 40.800 0.096 0.000 0.971 362 D HN 0.299 nan 8.370 nan 0.000 0.453 363 K N 0.505 120.945 120.400 0.068 0.000 2.097 363 K HA -0.016 4.284 4.320 -0.033 0.000 0.205 363 K C 2.156 178.803 176.600 0.079 0.000 1.050 363 K CA 1.062 57.382 56.287 0.054 0.000 0.938 363 K CB -0.200 32.325 32.500 0.041 0.000 0.718 363 K HN 0.045 nan 8.250 nan 0.000 0.442 364 A N 2.410 125.299 122.820 0.114 0.000 1.933 364 A HA -0.219 4.081 4.320 -0.033 0.000 0.218 364 A C 2.200 179.884 177.584 0.167 0.000 1.175 364 A CA 1.868 54.024 52.037 0.198 0.000 0.628 364 A CB -0.358 18.716 19.000 0.123 0.000 0.814 364 A HN 0.162 nan 8.150 nan 0.000 0.444 365 K N 0.373 120.832 120.400 0.097 0.000 2.009 365 K HA -0.084 4.217 4.320 -0.033 0.000 0.210 365 K C 1.692 178.334 176.600 0.070 0.000 1.049 365 K CA 1.900 58.239 56.287 0.087 0.000 0.929 365 K CB -0.831 31.737 32.500 0.113 0.000 0.714 365 K HN 0.456 nan 8.250 nan 0.000 0.440 366 L N 0.075 121.328 121.223 0.051 0.000 2.131 366 L HA -0.108 4.212 4.340 -0.033 0.000 0.210 366 L C 2.335 179.183 176.870 -0.037 0.000 1.092 366 L CA 1.574 56.423 54.840 0.014 0.000 0.759 366 L CB -0.344 41.721 42.059 0.009 0.000 0.903 366 L HN 0.238 nan 8.230 nan 0.000 0.435 367 E N -1.257 118.901 120.200 -0.071 0.000 2.340 367 E HA -0.061 4.270 4.350 -0.033 0.000 0.194 367 E C 1.126 177.416 176.600 -0.516 0.000 0.996 367 E CA 0.842 57.062 56.400 -0.301 0.000 0.869 367 E CB 0.258 29.727 29.700 -0.385 0.000 0.835 367 E HN 0.500 nan 8.360 nan 0.000 0.493 368 Y N -2.337 117.972 120.300 0.015 0.000 2.448 368 Y HA 0.326 4.856 4.550 -0.033 0.000 0.257 368 Y C 1.283 177.188 175.900 0.009 0.000 1.089 368 Y CA 0.041 58.152 58.100 0.019 0.000 1.245 368 Y CB 1.589 40.064 38.460 0.025 0.000 1.282 368 Y HN 0.082 nan 8.280 nan 0.000 0.529 369 G N 2.032 110.903 108.800 0.118 0.000 2.153 369 G HA2 -0.301 3.639 3.960 -0.033 0.000 0.252 369 G HA3 -0.301 3.639 3.960 -0.033 0.000 0.252 369 G C 0.113 175.054 174.900 0.068 0.000 0.994 369 G CA 0.567 45.710 45.100 0.073 0.000 0.698 369 G HN 0.491 nan 8.290 nan 0.000 0.521 370 I N -2.616 118.000 120.570 0.078 0.000 2.646 370 I HA 0.950 5.100 4.170 -0.033 0.000 0.299 370 I C -0.243 175.870 176.117 -0.007 0.000 1.036 370 I CA -1.209 60.110 61.300 0.032 0.000 1.074 370 I CB 2.112 40.114 38.000 0.005 0.000 1.258 370 I HN 0.309 nan 8.210 nan 0.000 0.430 371 E N 4.270 124.442 120.200 -0.047 0.000 2.423 371 E HA 0.689 5.019 4.350 -0.033 0.000 0.269 371 E C -3.010 173.463 176.600 -0.211 0.000 0.948 371 E CA -2.365 53.914 56.400 -0.201 0.000 0.802 371 E CB 1.429 30.998 29.700 -0.218 0.000 1.339 371 E HN 0.315 nan 8.360 nan 0.000 0.445 372 P HA 0.163 nan 4.420 nan 0.000 0.272 372 P C -0.192 177.064 177.300 -0.074 0.000 1.223 372 P CA -0.039 62.947 63.100 -0.189 0.000 0.784 372 P CB 0.649 32.242 31.700 -0.178 0.000 0.923 373 G N 0.361 109.111 108.800 -0.083 0.000 2.580 373 G HA2 0.558 4.498 3.960 -0.033 0.000 0.278 373 G HA3 0.558 4.498 3.960 -0.033 0.000 0.278 373 G C -0.533 174.314 174.900 -0.089 0.000 1.212 373 G CA -0.160 44.867 45.100 -0.121 0.000 0.939 373 G HN 0.679 nan 8.290 nan 0.000 0.513 374 S N -1.741 113.812 115.700 -0.246 0.000 2.724 374 S HA 0.728 5.178 4.470 -0.033 0.000 0.278 374 S C -1.580 172.604 174.600 -0.693 0.000 1.190 374 S CA -0.881 57.109 58.200 -0.350 0.000 0.860 374 S CB 1.142 64.337 63.200 -0.009 0.000 1.206 374 S HN 0.438 nan 8.310 nan 0.000 0.507 375 F N 0.111 119.653 119.950 -0.680 0.000 2.593 375 F HA 0.780 5.287 4.527 -0.033 0.000 0.320 375 F C 1.267 176.939 175.800 -0.214 0.000 1.060 375 F CA 0.173 57.894 58.000 -0.467 0.000 0.940 375 F CB 2.068 40.670 39.000 -0.663 0.000 1.268 375 F HN 0.980 nan 8.300 nan 0.000 0.475 376 G N 0.060 108.908 108.800 0.081 0.000 3.197 376 G HA2 0.164 4.105 3.960 -0.033 0.000 0.167 376 G HA3 0.164 4.105 3.960 -0.033 0.000 0.167 376 G C -0.461 174.479 174.900 0.065 0.000 1.914 376 G CA -0.169 44.968 45.100 0.061 0.000 0.956 376 G HN 0.478 nan 8.290 nan 0.000 0.480 377 T N 0.715 115.300 114.554 0.053 0.000 2.761 377 T HA 0.467 4.797 4.350 -0.033 0.000 0.296 377 T C -0.519 174.186 174.700 0.008 0.000 0.934 377 T CA -0.073 62.050 62.100 0.039 0.000 1.091 377 T CB 1.423 70.322 68.868 0.053 0.000 0.896 377 T HN 0.184 nan 8.240 nan 0.000 0.515 378 V N 4.947 124.837 119.914 -0.040 0.000 2.483 378 V HA 0.464 4.564 4.120 -0.033 0.000 0.297 378 V C -0.125 175.933 176.094 -0.059 0.000 1.027 378 V CA -0.859 61.365 62.300 -0.128 0.000 0.855 378 V CB 1.707 33.270 31.823 -0.433 0.000 0.995 378 V HN 0.747 nan 8.190 nan 0.000 0.424 379 K N 3.709 124.134 120.400 0.042 0.000 2.463 379 K HA 0.718 5.018 4.320 -0.033 0.000 0.255 379 K C -1.493 175.179 176.600 0.121 0.000 0.942 379 K CA -0.660 55.689 56.287 0.104 0.000 0.814 379 K CB 2.678 35.318 32.500 0.233 0.000 1.122 379 K HN 0.449 nan 8.250 nan 0.000 0.425 380 V N 4.351 124.274 119.914 0.015 0.000 2.378 380 V HA 0.444 4.545 4.120 -0.033 0.000 0.288 380 V C -0.874 175.251 176.094 0.053 0.000 1.016 380 V CA -0.807 61.553 62.300 0.099 0.000 0.840 380 V CB 0.420 32.289 31.823 0.076 0.000 0.994 380 V HN 0.551 nan 8.190 nan 0.000 0.431 381 F N 2.799 122.880 119.950 0.219 0.000 2.444 381 F HA 0.574 5.082 4.527 -0.033 0.000 0.342 381 F C 0.266 176.140 175.800 0.122 0.000 1.121 381 F CA -0.632 57.485 58.000 0.194 0.000 0.997 381 F CB 1.398 40.454 39.000 0.093 0.000 1.130 381 F HN 0.577 nan 8.300 nan 0.000 0.454 382 D N 2.113 122.673 120.400 0.267 0.000 4.248 382 D HA -0.105 4.516 4.640 -0.033 0.000 0.248 382 D C -1.255 175.107 176.300 0.104 0.000 1.056 382 D CA 0.237 54.333 54.000 0.160 0.000 1.191 382 D CB -0.829 40.057 40.800 0.143 0.000 0.870 382 D HN 0.186 nan 8.370 nan 0.000 0.410 383 V N 2.167 122.121 119.914 0.066 0.000 2.409 383 V HA 0.533 4.633 4.120 -0.033 0.000 0.291 383 V C 0.539 176.643 176.094 0.016 0.000 1.020 383 V CA -0.247 62.072 62.300 0.033 0.000 0.848 383 V CB 2.264 34.092 31.823 0.008 0.000 0.990 383 V HN 0.398 nan 8.190 nan 0.000 0.430 384 T N 4.360 118.925 114.554 0.018 0.000 2.809 384 T HA 0.692 5.022 4.350 -0.033 0.000 0.284 384 T C -0.103 174.616 174.700 0.032 0.000 0.992 384 T CA -0.298 61.814 62.100 0.020 0.000 0.957 384 T CB 1.523 70.407 68.868 0.027 0.000 0.942 384 T HN 0.863 nan 8.240 nan 0.000 0.439 385 A N 3.695 126.544 122.820 0.048 0.000 2.273 385 A HA 0.674 4.974 4.320 -0.033 0.000 0.315 385 A C 0.069 177.824 177.584 0.285 0.000 1.256 385 A CA -0.785 51.329 52.037 0.128 0.000 0.851 385 A CB 0.588 19.642 19.000 0.090 0.000 1.172 385 A HN 0.782 nan 8.150 nan 0.000 0.508 386 R N 2.989 123.626 120.500 0.228 0.000 2.254 386 R HA 0.381 4.701 4.340 -0.033 0.000 0.318 386 R C -0.834 175.561 176.300 0.159 0.000 1.031 386 R CA -0.529 55.706 56.100 0.224 0.000 0.905 386 R CB 0.403 30.760 30.300 0.096 0.000 1.050 386 R HN 0.631 nan 8.270 nan 0.000 0.456 387 F N 3.293 123.141 119.950 -0.169 0.000 2.607 387 F HA 0.284 4.792 4.527 -0.032 0.000 0.374 387 F C 0.408 175.946 175.800 -0.436 0.000 1.104 387 F CA 1.607 59.195 58.000 -0.686 0.000 1.296 387 F CB 0.680 39.103 39.000 -0.961 0.000 1.085 387 F HN 0.651 nan 8.300 nan 0.000 0.584 388 G N 4.162 112.209 108.800 -1.256 0.000 2.687 388 G HA2 0.318 4.258 3.960 -0.033 0.000 0.291 388 G HA3 0.318 4.258 3.960 -0.033 0.000 0.291 388 G C -1.396 172.746 174.900 -1.264 0.000 1.420 388 G CA -0.579 43.921 45.100 -1.000 0.000 0.796 388 G HN 0.532 nan 8.290 nan 0.000 0.485 389 Y N -0.720 119.320 120.300 -0.433 0.000 2.458 389 Y HA 0.245 4.776 4.550 -0.033 0.000 0.256 389 Y C 1.316 177.127 175.900 -0.149 0.000 1.159 389 Y CA -0.135 57.798 58.100 -0.279 0.000 1.261 389 Y CB 0.578 38.949 38.460 -0.148 0.000 1.119 389 Y HN 0.403 nan 8.280 nan 0.000 0.524 390 N N 0.280 118.959 118.700 -0.034 0.000 2.599 390 N HA 0.417 5.138 4.740 -0.033 0.000 0.309 390 N C -0.439 175.060 175.510 -0.017 0.000 1.743 390 N CA -0.235 52.818 53.050 0.005 0.000 0.918 390 N CB 0.744 39.241 38.487 0.016 0.000 1.339 390 N HN 0.049 nan 8.380 nan 0.000 0.493 391 A N 0.223 123.027 122.820 -0.026 0.000 2.351 391 A HA 0.213 4.514 4.320 -0.033 0.000 0.257 391 A C -0.104 177.501 177.584 0.034 0.000 1.087 391 A CA -0.255 51.778 52.037 -0.005 0.000 0.798 391 A CB 0.368 19.363 19.000 -0.009 0.000 1.033 391 A HN 0.209 nan 8.150 nan 0.000 0.488 392 D N 0.835 121.250 120.400 0.025 0.000 2.383 392 D HA 0.428 5.048 4.640 -0.033 0.000 0.252 392 D C -0.434 175.890 176.300 0.041 0.000 1.166 392 D CA 0.889 54.906 54.000 0.028 0.000 0.879 392 D CB 0.547 41.366 40.800 0.031 0.000 1.164 392 D HN 0.364 nan 8.370 nan 0.000 0.462 393 L N 2.563 123.821 121.223 0.059 0.000 2.381 393 L HA 0.386 4.706 4.340 -0.033 0.000 0.268 393 L C 0.270 177.180 176.870 0.066 0.000 0.997 393 L CA -1.082 53.806 54.840 0.079 0.000 0.818 393 L CB 1.902 44.048 42.059 0.144 0.000 1.310 393 L HN -0.044 nan 8.230 nan 0.000 0.416 394 K N 1.573 121.989 120.400 0.027 0.000 2.110 394 K HA 0.190 4.491 4.320 -0.033 0.000 0.263 394 K C 0.401 176.992 176.600 -0.014 0.000 0.975 394 K CA -0.427 55.866 56.287 0.011 0.000 0.895 394 K CB 1.864 34.364 32.500 -0.001 0.000 1.060 394 K HN 0.586 nan 8.250 nan 0.000 0.448 395 Q N 1.243 121.036 119.800 -0.011 0.000 2.226 395 Q HA -0.196 4.125 4.340 -0.033 0.000 0.204 395 Q C 0.489 176.331 176.000 -0.263 0.000 0.975 395 Q CA 2.044 57.724 55.803 -0.207 0.000 0.866 395 Q CB 0.219 28.852 28.738 -0.176 0.000 0.915 395 Q HN 0.588 nan 8.270 nan 0.000 0.440 396 D N -1.053 119.257 120.400 -0.151 0.000 2.349 396 D HA -0.112 4.508 4.640 -0.033 0.000 0.224 396 D C 0.953 177.180 176.300 -0.121 0.000 1.029 396 D CA 0.467 54.381 54.000 -0.143 0.000 0.879 396 D CB 0.048 40.799 40.800 -0.082 0.000 0.906 396 D HN 0.365 nan 8.370 nan 0.000 0.528 397 Q N -0.408 119.344 119.800 -0.080 0.000 2.352 397 Q HA 0.286 4.606 4.340 -0.033 0.000 0.212 397 Q C 1.984 177.933 176.000 -0.085 0.000 0.888 397 Q CA -0.107 55.697 55.803 0.002 0.000 0.934 397 Q CB 0.406 29.177 28.738 0.054 0.000 1.093 397 Q HN 0.264 nan 8.270 nan 0.000 0.523 398 L N 0.888 122.051 121.223 -0.099 0.000 2.131 398 L HA -0.201 4.119 4.340 -0.033 0.000 0.210 398 L C 1.123 178.039 176.870 0.076 0.000 1.092 398 L CA 0.875 55.738 54.840 0.038 0.000 0.759 398 L CB -0.302 41.764 42.059 0.011 0.000 0.903 398 L HN 0.184 nan 8.230 nan 0.000 0.435 399 D N -0.941 119.405 120.400 -0.090 0.000 2.312 399 D HA -0.144 4.477 4.640 -0.033 0.000 0.211 399 D C 1.770 177.997 176.300 -0.122 0.000 0.964 399 D CA 0.899 54.837 54.000 -0.102 0.000 0.877 399 D CB -0.153 40.541 40.800 -0.178 0.000 0.924 399 D HN 0.340 nan 8.370 nan 0.000 0.515 400 Y N -0.516 119.772 120.300 -0.020 0.000 2.680 400 Y HA -0.034 4.496 4.550 -0.033 0.000 0.303 400 Y C 1.415 177.355 175.900 0.067 0.000 1.166 400 Y CA 0.044 58.137 58.100 -0.012 0.000 1.344 400 Y CB -0.748 37.612 38.460 -0.165 0.000 1.002 400 Y HN -0.061 nan 8.280 nan 0.000 0.537 401 F N -0.501 119.578 119.950 0.216 0.000 2.802 401 F HA -0.073 4.434 4.527 -0.033 0.000 0.300 401 F C 2.347 178.212 175.800 0.108 0.000 1.168 401 F CA 0.438 58.532 58.000 0.157 0.000 1.433 401 F CB -0.637 38.421 39.000 0.097 0.000 1.115 401 F HN 0.063 nan 8.300 nan 0.000 0.582 402 S N -1.010 114.851 115.700 0.268 0.000 2.382 402 S HA -0.207 4.243 4.470 -0.033 0.000 0.228 402 S C 2.132 176.809 174.600 0.128 0.000 1.027 402 S CA 1.667 59.967 58.200 0.166 0.000 0.991 402 S CB -1.194 62.078 63.200 0.120 0.000 0.823 402 S HN 0.469 nan 8.310 nan 0.000 0.469 403 T N 0.039 114.666 114.554 0.121 0.000 2.937 403 T HA 0.054 4.384 4.350 -0.033 0.000 0.260 403 T C 2.042 176.755 174.700 0.020 0.000 1.051 403 T CA 1.183 63.306 62.100 0.038 0.000 1.141 403 T CB -0.527 68.319 68.868 -0.036 0.000 0.879 403 T HN 0.641 nan 8.240 nan 0.000 0.459 404 S N 0.397 116.130 115.700 0.054 0.000 2.514 404 S HA 0.240 4.691 4.470 -0.033 0.000 0.223 404 S C 0.988 175.648 174.600 0.100 0.000 1.046 404 S CA -0.275 57.959 58.200 0.056 0.000 0.914 404 S CB -0.225 63.006 63.200 0.052 0.000 0.807 404 S HN 0.358 nan 8.310 nan 0.000 0.497 405 N N 2.279 121.078 118.700 0.165 0.000 2.696 405 N HA 0.394 5.115 4.740 -0.033 0.000 0.308 405 N C -2.326 173.214 175.510 0.050 0.000 1.915 405 N CA -2.095 51.009 53.050 0.090 0.000 0.906 405 N CB 1.311 39.815 38.487 0.029 0.000 1.284 405 N HN 0.176 nan 8.380 nan 0.000 0.488 406 P HA -0.041 nan 4.420 nan 0.000 0.239 406 P C 0.537 177.836 177.300 -0.002 0.000 1.184 406 P CA 0.843 63.962 63.100 0.033 0.000 0.760 406 P CB 0.165 31.880 31.700 0.025 0.000 0.884 407 M N -1.872 117.713 119.600 -0.025 0.000 2.405 407 M HA 0.185 4.646 4.480 -0.033 0.000 0.292 407 M C 0.459 176.711 176.300 -0.080 0.000 1.111 407 M CA -0.237 55.037 55.300 -0.045 0.000 0.979 407 M CB -0.254 32.324 32.600 -0.037 0.000 1.426 407 M HN -0.132 nan 8.290 nan 0.000 0.509 408 c N 2.963 121.489 118.600 -0.124 0.000 4.350 408 c HA -0.180 4.371 4.570 -0.033 0.000 0.302 408 c C 0.560 174.520 174.090 -0.217 0.000 1.390 408 c CA 0.584 56.775 56.329 -0.230 0.000 2.016 408 c CB -2.084 40.338 42.510 -0.148 0.000 1.271 408 c HN 0.534 nan 8.230 nan 0.000 0.760 409 K N 0.433 120.723 120.400 -0.183 0.000 2.295 409 K HA 0.393 4.693 4.320 -0.033 0.000 0.270 409 K C 1.228 177.752 176.600 -0.126 0.000 1.011 409 K CA 0.009 56.224 56.287 -0.119 0.000 0.953 409 K CB 0.267 32.724 32.500 -0.071 0.000 0.956 409 K HN 0.446 nan 8.250 nan 0.000 0.477 410 R N -1.210 119.240 120.500 -0.083 0.000 3.989 410 R HA -0.151 4.170 4.340 -0.033 0.000 0.377 410 R C -0.950 175.341 176.300 -0.015 0.000 1.158 410 R CA 0.477 56.548 56.100 -0.049 0.000 1.035 410 R CB -2.679 27.600 30.300 -0.035 0.000 1.557 410 R HN 0.336 nan 8.270 nan 0.000 0.551 411 V N 1.582 121.465 119.914 -0.052 0.000 2.427 411 V HA 0.465 4.566 4.120 -0.033 0.000 0.286 411 V C 1.122 177.261 176.094 0.075 0.000 1.034 411 V CA -0.419 61.886 62.300 0.009 0.000 0.893 411 V CB 1.868 33.656 31.823 -0.058 0.000 0.982 411 V HN 0.407 nan 8.190 nan 0.000 0.452 412 c N 4.545 123.232 118.600 0.144 0.000 2.889 412 c HA 0.858 5.409 4.570 -0.033 0.000 0.307 412 c C -0.631 173.565 174.090 0.176 0.000 1.251 412 c CA -1.147 55.268 56.329 0.143 0.000 1.593 412 c CB 1.142 43.708 42.510 0.093 0.000 2.104 412 c HN 0.791 nan 8.230 nan 0.000 0.476 413 L N 2.990 124.269 121.223 0.093 0.000 2.257 413 L HA 0.618 4.939 4.340 -0.033 0.000 0.290 413 L C -2.407 174.400 176.870 -0.105 0.000 1.044 413 L CA -2.012 52.784 54.840 -0.072 0.000 0.810 413 L CB 0.544 42.583 42.059 -0.033 0.000 1.193 413 L HN 0.564 nan 8.230 nan 0.000 0.425 414 P HA 0.106 nan 4.420 nan 0.000 0.266 414 P C -0.576 176.581 177.300 -0.237 0.000 1.195 414 P CA -0.158 62.782 63.100 -0.267 0.000 0.768 414 P CB 0.253 31.637 31.700 -0.526 0.000 0.838 415 T N -0.183 114.234 114.554 -0.229 0.000 2.795 415 T HA 0.044 4.374 4.350 -0.033 0.000 0.314 415 T C 1.368 175.961 174.700 -0.178 0.000 1.069 415 T CA -0.294 61.710 62.100 -0.159 0.000 1.071 415 T CB 0.475 69.265 68.868 -0.130 0.000 0.988 415 T HN 0.513 nan 8.240 nan 0.000 0.543 416 K N 0.689 121.017 120.400 -0.120 0.000 2.147 416 K HA -0.186 4.115 4.320 -0.033 0.000 0.205 416 K C 1.628 178.145 176.600 -0.138 0.000 1.049 416 K CA 1.658 57.872 56.287 -0.122 0.000 0.936 416 K CB -0.234 32.212 32.500 -0.091 0.000 0.722 416 K HN 0.653 nan 8.250 nan 0.000 0.446 417 E N 1.378 121.505 120.200 -0.122 0.000 2.077 417 E HA -0.156 4.174 4.350 -0.033 0.000 0.193 417 E C 2.195 178.719 176.600 -0.127 0.000 0.989 417 E CA 1.669 58.009 56.400 -0.100 0.000 0.800 417 E CB -0.072 29.587 29.700 -0.068 0.000 0.746 417 E HN 0.465 nan 8.360 nan 0.000 0.452 418 Q N -1.289 118.352 119.800 -0.265 0.000 2.016 418 Q HA -0.058 4.262 4.340 -0.033 0.000 0.200 418 Q C 0.176 175.994 176.000 -0.302 0.000 0.978 418 Q CA 0.916 56.392 55.803 -0.545 0.000 0.833 418 Q CB 0.179 28.131 28.738 -1.310 0.000 0.895 418 Q HN 0.288 nan 8.270 nan 0.000 0.427 419 W N 0.461 121.477 121.300 -0.473 0.000 2.934 419 W HA 0.191 4.831 4.660 -0.034 0.000 0.333 419 W C 0.148 176.591 176.519 -0.126 0.000 1.035 419 W CA -0.244 56.981 57.345 -0.200 0.000 1.256 419 W CB 1.387 30.762 29.460 -0.141 0.000 1.306 419 W HN 0.103 nan 8.180 nan 0.000 0.430 420 S N 2.917 118.292 115.700 -0.541 0.000 2.481 420 S HA -0.053 4.398 4.470 -0.033 0.000 0.231 420 S C 0.570 175.000 174.600 -0.284 0.000 0.996 420 S CA 0.839 58.827 58.200 -0.354 0.000 0.942 420 S CB 0.005 63.020 63.200 -0.310 0.000 0.768 420 S HN 0.336 nan 8.310 nan 0.000 0.520 421 K N 3.113 123.284 120.400 -0.381 0.000 2.180 421 K HA 0.260 4.561 4.320 -0.033 0.000 0.250 421 K C -0.458 176.230 176.600 0.146 0.000 1.135 421 K CA 0.083 56.338 56.287 -0.054 0.000 1.037 421 K CB 0.222 32.751 32.500 0.050 0.000 1.624 421 K HN 0.577 nan 8.250 nan 0.000 0.382 422 Q N -0.035 119.815 119.800 0.083 0.000 2.263 422 Q HA 0.109 4.430 4.340 -0.033 0.000 0.289 422 Q C 0.905 177.001 176.000 0.159 0.000 1.061 422 Q CA 0.892 56.749 55.803 0.091 0.000 0.927 422 Q CB 0.381 29.169 28.738 0.083 0.000 1.154 422 Q HN 0.859 nan 8.270 nan 0.000 0.378 423 G N 2.176 110.947 108.800 -0.049 0.000 2.231 423 G HA2 -0.253 3.687 3.960 -0.033 0.000 0.206 423 G HA3 -0.253 3.687 3.960 -0.033 0.000 0.206 423 G C 0.754 175.656 174.900 0.003 0.000 0.996 423 G CA -0.041 45.039 45.100 -0.034 0.000 0.645 423 G HN 0.594 nan 8.290 nan 0.000 0.498 424 Q N -0.793 119.008 119.800 0.002 0.000 2.245 424 Q HA 0.337 4.657 4.340 -0.033 0.000 0.201 424 Q C 0.505 176.270 176.000 -0.392 0.000 0.955 424 Q CA 1.159 56.942 55.803 -0.034 0.000 0.870 424 Q CB 0.464 29.336 28.738 0.223 0.000 0.945 424 Q HN 0.603 nan 8.270 nan 0.000 0.461 425 I N -0.724 119.513 120.570 -0.555 0.000 2.692 425 I HA 0.291 4.441 4.170 -0.033 0.000 0.293 425 I C -1.803 174.025 176.117 -0.481 0.000 1.200 425 I CA -0.909 59.976 61.300 -0.693 0.000 1.036 425 I CB 1.493 38.713 38.000 -1.300 0.000 1.258 425 I HN -0.163 nan 8.210 nan 0.000 0.421 426 Y N 5.899 126.106 120.300 -0.155 0.000 2.602 426 Y HA 0.719 5.250 4.550 -0.033 0.000 0.342 426 Y C -0.568 175.345 175.900 0.023 0.000 1.029 426 Y CA -0.774 57.309 58.100 -0.028 0.000 1.080 426 Y CB 1.984 40.442 38.460 -0.004 0.000 1.284 426 Y HN 0.304 nan 8.280 nan 0.000 0.485 427 I N 1.424 122.137 120.570 0.237 0.000 2.436 427 I HA 0.785 4.936 4.170 -0.033 0.000 0.289 427 I C 0.126 176.339 176.117 0.161 0.000 1.010 427 I CA -0.223 61.181 61.300 0.172 0.000 1.098 427 I CB 1.696 39.794 38.000 0.164 0.000 1.266 427 I HN 0.764 nan 8.210 nan 0.000 0.434 428 G N 5.813 114.697 108.800 0.139 0.000 2.428 428 G HA2 0.438 4.378 3.960 -0.033 0.000 0.304 428 G HA3 0.438 4.378 3.960 -0.033 0.000 0.304 428 G C -3.340 171.634 174.900 0.125 0.000 1.303 428 G CA -0.906 44.275 45.100 0.135 0.000 0.825 428 G HN 0.207 nan 8.290 nan 0.000 0.484 429 P HA 0.278 nan 4.420 nan 0.000 0.269 429 P C 0.239 177.592 177.300 0.087 0.000 1.209 429 P CA 0.062 63.163 63.100 0.002 0.000 0.776 429 P CB 0.758 32.590 31.700 0.219 0.000 0.876 430 S N 1.744 117.268 115.700 -0.293 0.000 2.558 430 S HA -0.005 4.446 4.470 -0.033 0.000 0.291 430 S C 1.424 176.157 174.600 0.222 0.000 1.306 430 S CA 0.114 58.271 58.200 -0.072 0.000 1.056 430 S CB -0.142 62.907 63.200 -0.252 0.000 0.836 430 S HN 0.374 nan 8.310 nan 0.000 0.504 431 L N 1.352 122.709 121.223 0.224 0.000 2.388 431 L HA 0.437 4.758 4.340 -0.033 0.000 0.209 431 L C 0.807 177.868 176.870 0.318 0.000 1.061 431 L CA 0.445 55.384 54.840 0.165 0.000 0.834 431 L CB -0.044 41.973 42.059 -0.070 0.000 1.029 431 L HN 0.746 nan 8.230 nan 0.000 0.473 432 A N -1.762 121.219 122.820 0.269 0.000 2.540 432 A HA 0.671 4.972 4.320 -0.033 0.000 0.291 432 A C 0.113 177.648 177.584 -0.081 0.000 1.083 432 A CA 0.087 52.136 52.037 0.020 0.000 0.650 432 A CB 0.326 19.293 19.000 -0.055 0.000 1.292 432 A HN -0.050 nan 8.150 nan 0.000 0.435 433 A N -0.552 122.120 122.820 -0.246 0.000 1.897 433 A HA 0.445 4.745 4.320 -0.033 0.000 0.215 433 A C 0.630 178.153 177.584 -0.100 0.000 1.181 433 A CA 1.993 53.925 52.037 -0.176 0.000 0.620 433 A CB -0.280 18.589 19.000 -0.218 0.000 0.821 433 A HN 1.480 nan 8.150 nan 0.000 0.443 434 V N 0.372 120.215 119.914 -0.118 0.000 2.668 434 V HA 0.404 4.504 4.120 -0.033 0.000 0.304 434 V C -1.052 174.968 176.094 -0.123 0.000 1.071 434 V CA -0.343 61.895 62.300 -0.104 0.000 0.894 434 V CB 1.702 33.452 31.823 -0.122 0.000 1.008 434 V HN 0.352 nan 8.190 nan 0.000 0.425 435 I N 3.952 124.462 120.570 -0.100 0.000 2.404 435 I HA 0.539 4.689 4.170 -0.033 0.000 0.293 435 I C -0.843 175.211 176.117 -0.106 0.000 0.992 435 I CA -0.168 61.054 61.300 -0.130 0.000 1.149 435 I CB 1.835 39.769 38.000 -0.109 0.000 1.315 435 I HN 0.545 nan 8.210 nan 0.000 0.446 436 D N 4.150 124.465 120.400 -0.142 0.000 2.386 436 D HA 0.205 4.825 4.640 -0.033 0.000 0.247 436 D C -0.112 176.112 176.300 -0.127 0.000 1.336 436 D CA -0.219 53.702 54.000 -0.132 0.000 0.976 436 D CB 1.832 42.534 40.800 -0.162 0.000 1.257 436 D HN 0.396 nan 8.370 nan 0.000 0.570 437 T N 1.766 116.268 114.554 -0.087 0.000 3.105 437 T HA 0.013 4.343 4.350 -0.033 0.000 0.253 437 T C 1.631 176.291 174.700 -0.066 0.000 1.047 437 T CA 0.225 62.293 62.100 -0.054 0.000 0.944 437 T CB 0.303 69.168 68.868 -0.003 0.000 1.016 437 T HN 0.352 nan 8.240 nan 0.000 0.544 438 T N 2.866 117.331 114.554 -0.148 0.000 2.833 438 T HA -0.037 4.294 4.350 -0.033 0.000 0.269 438 T C -0.876 173.733 174.700 -0.150 0.000 1.054 438 T CA 0.807 62.764 62.100 -0.237 0.000 1.135 438 T CB -0.615 67.931 68.868 -0.536 0.000 0.869 438 T HN 0.325 nan 8.240 nan 0.000 0.466 439 P HA -0.036 nan 4.420 nan 0.000 0.238 439 P C -0.067 177.219 177.300 -0.025 0.000 1.175 439 P CA 0.507 63.562 63.100 -0.074 0.000 0.757 439 P CB -0.445 31.213 31.700 -0.070 0.000 0.839 440 E N 1.157 121.355 120.200 -0.003 0.000 2.220 440 E HA 0.221 4.552 4.350 -0.033 0.000 0.272 440 E C 0.401 177.054 176.600 0.087 0.000 1.099 440 E CA 0.384 56.810 56.400 0.045 0.000 0.907 440 E CB -0.095 29.645 29.700 0.066 0.000 1.022 440 E HN 0.253 nan 8.360 nan 0.000 0.428 441 T N -0.259 114.348 114.554 0.088 0.000 0.595 441 T HA -0.208 4.122 4.350 -0.033 0.000 0.770 441 T C 0.579 175.324 174.700 0.075 0.000 0.993 441 T CA 0.128 62.308 62.100 0.134 0.000 4.059 441 T CB -1.283 67.750 68.868 0.274 0.000 2.305 441 T HN 0.597 nan 8.240 nan 0.000 0.397 442 S N 0.185 115.918 115.700 0.056 0.000 2.830 442 S HA 0.293 4.744 4.470 -0.033 0.000 0.249 442 S C 1.540 176.055 174.600 -0.142 0.000 1.084 442 S CA 0.285 58.467 58.200 -0.030 0.000 0.852 442 S CB 0.012 63.196 63.200 -0.027 0.000 0.802 442 S HN 0.930 nan 8.310 nan 0.000 0.481 443 K N 0.151 120.342 120.400 -0.349 0.000 2.361 443 K HA 0.191 4.491 4.320 -0.033 0.000 0.196 443 K C 0.343 176.430 176.600 -0.854 0.000 1.039 443 K CA 0.721 56.544 56.287 -0.773 0.000 1.001 443 K CB -0.035 31.774 32.500 -1.151 0.000 0.795 443 K HN 0.576 nan 8.250 nan 0.000 0.495 444 Y N 0.560 120.894 120.300 0.057 0.000 2.527 444 Y HA 0.149 4.680 4.550 -0.033 0.000 0.247 444 Y C 0.157 176.133 175.900 0.127 0.000 1.138 444 Y CA -1.659 56.489 58.100 0.081 0.000 1.228 444 Y CB -0.139 38.367 38.460 0.077 0.000 1.252 444 Y HN -0.023 nan 8.280 nan 0.000 0.531 445 D N 1.432 121.918 120.400 0.144 0.000 2.478 445 D HA 0.005 4.625 4.640 -0.033 0.000 0.234 445 D C -0.307 176.075 176.300 0.137 0.000 1.154 445 D CA 0.456 54.504 54.000 0.079 0.000 0.874 445 D CB 0.444 41.238 40.800 -0.010 0.000 1.198 445 D HN 0.324 nan 8.370 nan 0.000 0.455 446 Y N -0.444 119.864 120.300 0.014 0.000 2.638 446 Y HA 0.556 5.087 4.550 -0.032 0.000 0.339 446 Y C -1.392 174.475 175.900 -0.055 0.000 1.084 446 Y CA -1.574 56.523 58.100 -0.005 0.000 1.068 446 Y CB 1.285 39.769 38.460 0.039 0.000 1.294 446 Y HN 0.231 nan 8.280 nan 0.000 0.480 447 D N 1.016 121.446 120.400 0.050 0.000 2.454 447 D HA 0.391 5.011 4.640 -0.033 0.000 0.247 447 D C -1.487 174.740 176.300 -0.122 0.000 1.129 447 D CA -0.341 53.600 54.000 -0.099 0.000 0.877 447 D CB 1.582 42.342 40.800 -0.067 0.000 1.082 447 D HN 0.571 nan 8.370 nan 0.000 0.537 448 V N 5.135 124.908 119.914 -0.236 0.000 2.352 448 V HA 0.139 4.239 4.120 -0.033 0.000 0.253 448 V C 0.563 176.497 176.094 -0.267 0.000 1.083 448 V CA -0.381 61.746 62.300 -0.289 0.000 0.993 448 V CB -0.007 31.605 31.823 -0.352 0.000 1.111 448 V HN 0.369 nan 8.190 nan 0.000 0.490 449 K N 3.677 123.925 120.400 -0.253 0.000 2.383 449 K HA 0.335 4.635 4.320 -0.033 0.000 0.286 449 K C 0.561 176.838 176.600 -0.538 0.000 1.051 449 K CA 0.000 56.059 56.287 -0.381 0.000 0.974 449 K CB 0.586 32.940 32.500 -0.243 0.000 0.968 449 K HN 0.812 nan 8.250 nan 0.000 0.475 450 T N 0.039 114.176 114.554 -0.694 0.000 2.856 450 T HA 0.651 4.981 4.350 -0.033 0.000 0.283 450 T C -0.551 173.624 174.700 -0.875 0.000 1.008 450 T CA -0.851 60.898 62.100 -0.584 0.000 0.997 450 T CB 0.596 69.290 68.868 -0.290 0.000 0.992 450 T HN 0.215 nan 8.240 nan 0.000 0.454 451 F N 1.208 121.008 119.950 -0.249 0.000 2.565 451 F HA 0.566 5.073 4.527 -0.033 0.000 0.313 451 F C 0.714 176.477 175.800 -0.062 0.000 1.091 451 F CA -1.043 56.855 58.000 -0.170 0.000 0.915 451 F CB 1.566 40.420 39.000 -0.244 0.000 1.208 451 F HN 0.784 nan 8.300 nan 0.000 0.453 452 N N 1.014 119.801 118.700 0.146 0.000 2.696 452 N HA -0.171 4.549 4.740 -0.033 0.000 0.256 452 N C -1.581 173.958 175.510 0.048 0.000 1.031 452 N CA 0.173 53.282 53.050 0.099 0.000 0.730 452 N CB -0.887 37.683 38.487 0.138 0.000 0.894 452 N HN 0.371 nan 8.380 nan 0.000 0.544 453 V N 1.683 121.595 119.914 -0.004 0.000 2.461 453 V HA 0.308 4.408 4.120 -0.033 0.000 0.275 453 V C 0.790 176.858 176.094 -0.043 0.000 1.047 453 V CA -0.023 62.256 62.300 -0.034 0.000 0.955 453 V CB 1.222 32.997 31.823 -0.081 0.000 0.988 453 V HN 0.265 nan 8.190 nan 0.000 0.471 454 K N 5.114 125.492 120.400 -0.036 0.000 2.328 454 K HA 0.755 5.055 4.320 -0.033 0.000 0.246 454 K C -0.818 175.745 176.600 -0.062 0.000 0.955 454 K CA -0.952 55.312 56.287 -0.038 0.000 0.817 454 K CB 2.724 35.223 32.500 -0.003 0.000 1.208 454 K HN 0.503 nan 8.250 nan 0.000 0.432 455 R N 1.375 121.831 120.500 -0.072 0.000 2.740 455 R HA 0.546 4.867 4.340 -0.033 0.000 0.282 455 R C -0.714 175.641 176.300 0.092 0.000 0.969 455 R CA -0.782 55.280 56.100 -0.063 0.000 0.918 455 R CB 1.487 31.592 30.300 -0.326 0.000 1.175 455 R HN 0.493 nan 8.270 nan 0.000 0.464 456 I N 2.157 122.872 120.570 0.241 0.000 2.418 456 I HA 0.190 4.340 4.170 -0.033 0.000 0.287 456 I C -0.007 176.275 176.117 0.275 0.000 1.008 456 I CA -0.555 60.867 61.300 0.203 0.000 1.104 456 I CB 1.707 39.789 38.000 0.137 0.000 1.264 456 I HN 0.692 nan 8.210 nan 0.000 0.438 457 N N 3.391 122.188 118.700 0.162 0.000 2.782 457 N HA -0.222 4.498 4.740 -0.033 0.000 0.251 457 N C -0.548 174.891 175.510 -0.119 0.000 1.101 457 N CA 0.655 53.737 53.050 0.053 0.000 0.764 457 N CB -1.024 37.498 38.487 0.058 0.000 1.122 457 N HN 0.394 nan 8.380 nan 0.000 0.561 458 F N 1.153 120.991 119.950 -0.187 0.000 2.518 458 F HA 0.258 4.765 4.527 -0.033 0.000 0.359 458 F C -0.886 174.669 175.800 -0.409 0.000 1.118 458 F CA -1.184 56.587 58.000 -0.381 0.000 1.287 458 F CB 0.057 38.972 39.000 -0.142 0.000 1.132 458 F HN 0.000 nan 8.300 nan 0.000 0.587 459 P HA 0.176 nan 4.420 nan 0.000 0.274 459 P C -0.817 176.426 177.300 -0.095 0.000 1.246 459 P CA -0.421 62.529 63.100 -0.250 0.000 0.795 459 P CB 0.699 32.234 31.700 -0.276 0.000 1.006 460 V N -1.839 118.033 119.914 -0.070 0.000 2.814 460 V HA 0.032 4.132 4.120 -0.033 0.000 0.307 460 V C 0.781 176.846 176.094 -0.049 0.000 1.089 460 V CA -0.012 62.261 62.300 -0.046 0.000 1.212 460 V CB -0.943 30.858 31.823 -0.036 0.000 0.912 460 V HN 0.747 nan 8.190 nan 0.000 0.497 461 N N 0.257 118.924 118.700 -0.055 0.000 2.878 461 N HA -0.169 4.551 4.740 -0.033 0.000 0.247 461 N C 0.401 175.817 175.510 -0.157 0.000 1.021 461 N CA 1.303 54.305 53.050 -0.080 0.000 0.873 461 N CB -1.722 36.733 38.487 -0.054 0.000 1.128 461 N HN 1.299 nan 8.380 nan 0.000 0.571 462 S N -0.253 115.371 115.700 -0.127 0.000 2.686 462 S HA 0.429 4.879 4.470 -0.033 0.000 0.270 462 S C 0.040 174.493 174.600 -0.244 0.000 1.194 462 S CA -0.557 57.545 58.200 -0.163 0.000 0.990 462 S CB 1.415 64.672 63.200 0.095 0.000 1.029 462 S HN 0.193 nan 8.310 nan 0.000 0.560 463 H N 0.421 119.501 119.070 0.017 0.000 2.467 463 H HA 0.374 4.910 4.556 -0.033 0.000 0.326 463 H C 0.718 175.944 175.328 -0.170 0.000 1.094 463 H CA -0.574 55.429 56.048 -0.076 0.000 1.253 463 H CB 1.620 31.319 29.762 -0.104 0.000 1.439 463 H HN 0.759 nan 8.280 nan 0.000 0.479 464 K N 1.993 122.350 120.400 -0.073 0.000 2.020 464 K HA 0.027 4.327 4.320 -0.033 0.000 0.206 464 K C -0.053 176.457 176.600 -0.150 0.000 1.038 464 K CA 0.872 57.054 56.287 -0.175 0.000 0.947 464 K CB 0.374 32.783 32.500 -0.152 0.000 0.744 464 K HN 0.430 nan 8.250 nan 0.000 0.442 465 T N 1.026 115.507 114.554 -0.122 0.000 2.859 465 T HA 0.461 4.791 4.350 -0.033 0.000 0.281 465 T C -0.344 174.222 174.700 -0.224 0.000 1.005 465 T CA -0.569 61.435 62.100 -0.161 0.000 1.025 465 T CB 1.793 70.566 68.868 -0.159 0.000 0.977 465 T HN 0.069 nan 8.240 nan 0.000 0.458 466 I N 3.664 124.047 120.570 -0.311 0.000 2.362 466 I HA 0.394 4.545 4.170 -0.033 0.000 0.289 466 I C -0.326 175.554 176.117 -0.395 0.000 0.994 466 I CA -0.528 60.461 61.300 -0.518 0.000 1.158 466 I CB 1.357 38.885 38.000 -0.788 0.000 1.315 466 I HN 0.769 nan 8.210 nan 0.000 0.451 467 D N 2.091 122.279 120.400 -0.353 0.000 2.801 467 D HA 0.259 4.879 4.640 -0.033 0.000 0.277 467 D C 0.691 176.895 176.300 -0.161 0.000 1.125 467 D CA -0.517 53.347 54.000 -0.227 0.000 1.102 467 D CB 0.409 41.108 40.800 -0.168 0.000 1.400 467 D HN 0.248 nan 8.370 nan 0.000 0.601 468 T N -0.732 113.768 114.554 -0.091 0.000 2.849 468 T HA -0.088 4.243 4.350 -0.033 0.000 0.270 468 T C 1.086 175.781 174.700 -0.008 0.000 1.066 468 T CA 1.682 63.764 62.100 -0.030 0.000 1.130 468 T CB -0.550 68.300 68.868 -0.029 0.000 0.864 468 T HN 0.423 nan 8.240 nan 0.000 0.481 469 N N -0.156 118.523 118.700 -0.035 0.000 2.356 469 N HA 0.063 4.784 4.740 -0.033 0.000 0.178 469 N C 0.052 175.559 175.510 -0.006 0.000 1.075 469 N CA 0.089 53.129 53.050 -0.016 0.000 0.889 469 N CB 0.326 38.795 38.487 -0.030 0.000 0.999 469 N HN 0.174 nan 8.380 nan 0.000 0.464 470 T N 2.059 116.586 114.554 -0.046 0.000 2.908 470 T HA -0.054 4.276 4.350 -0.033 0.000 0.301 470 T C 0.178 174.935 174.700 0.095 0.000 1.019 470 T CA 0.084 62.151 62.100 -0.056 0.000 1.152 470 T CB 0.248 68.921 68.868 -0.323 0.000 0.966 470 T HN 0.291 nan 8.240 nan 0.000 0.540 471 E N 2.113 122.375 120.200 0.104 0.000 2.415 471 E HA 0.328 4.659 4.350 -0.033 0.000 0.263 471 E C -0.152 176.561 176.600 0.189 0.000 0.995 471 E CA -0.657 55.820 56.400 0.127 0.000 0.915 471 E CB 0.387 30.153 29.700 0.111 0.000 0.951 471 E HN 0.574 nan 8.360 nan 0.000 0.449 472 S N 2.183 117.942 115.700 0.099 0.000 2.618 472 S HA 0.715 5.166 4.470 -0.033 0.000 0.277 472 S C -0.757 173.836 174.600 -0.012 0.000 1.138 472 S CA -0.912 57.295 58.200 0.012 0.000 0.844 472 S CB 2.082 65.106 63.200 -0.294 0.000 1.127 472 S HN 0.561 nan 8.310 nan 0.000 0.474 473 S N -0.114 115.575 115.700 -0.018 0.000 2.570 473 S HA 0.392 4.842 4.470 -0.033 0.000 0.286 473 S C -0.991 173.606 174.600 -0.005 0.000 1.143 473 S CA -0.728 57.469 58.200 -0.005 0.000 0.921 473 S CB 1.266 64.476 63.200 0.018 0.000 1.108 473 S HN 0.948 nan 8.310 nan 0.000 0.456 474 R N 2.902 123.392 120.500 -0.016 0.000 2.480 474 R HA 0.244 4.565 4.340 -0.033 0.000 0.303 474 R C 0.905 177.172 176.300 -0.056 0.000 0.985 474 R CA 0.894 56.969 56.100 -0.042 0.000 1.051 474 R CB 0.138 30.382 30.300 -0.094 0.000 0.935 474 R HN 0.635 nan 8.270 nan 0.000 0.410 475 V N 0.756 120.642 119.914 -0.047 0.000 3.451 475 V HA 0.288 4.389 4.120 -0.033 0.000 0.288 475 V C -0.005 176.034 176.094 -0.091 0.000 1.502 475 V CA -0.447 61.827 62.300 -0.045 0.000 1.026 475 V CB -0.043 31.791 31.823 0.018 0.000 0.840 475 V HN 0.575 nan 8.190 nan 0.000 0.437 476 c N 1.983 120.494 118.600 -0.148 0.000 2.391 476 c HA 0.557 5.108 4.570 -0.033 0.000 0.339 476 c C 0.426 174.321 174.090 -0.324 0.000 1.205 476 c CA -0.374 55.852 56.329 -0.172 0.000 1.937 476 c CB 0.849 43.304 42.510 -0.091 0.000 2.341 476 c HN 0.522 nan 8.230 nan 0.000 0.516 477 N N 1.433 120.019 118.700 -0.189 0.000 2.605 477 N HA 0.076 4.797 4.740 -0.033 0.000 0.258 477 N C 0.709 176.186 175.510 -0.055 0.000 1.156 477 N CA 0.070 53.025 53.050 -0.157 0.000 1.008 477 N CB -0.045 38.412 38.487 -0.051 0.000 1.354 477 N HN 0.586 nan 8.380 nan 0.000 0.509 478 Y N 2.101 122.337 120.300 -0.106 0.000 2.132 478 Y HA -0.256 4.275 4.550 -0.032 0.000 0.280 478 Y C 0.850 176.567 175.900 -0.305 0.000 1.193 478 Y CA 1.580 59.507 58.100 -0.288 0.000 1.157 478 Y CB -0.512 37.615 38.460 -0.554 0.000 0.966 478 Y HN 0.586 nan 8.280 nan 0.000 0.511 479 Y N -3.217 117.241 120.300 0.263 0.000 2.499 479 Y HA 0.409 4.939 4.550 -0.033 0.000 0.253 479 Y C 2.023 177.983 175.900 0.100 0.000 1.105 479 Y CA 0.119 58.322 58.100 0.172 0.000 1.240 479 Y CB 0.306 38.850 38.460 0.139 0.000 1.289 479 Y HN -0.040 nan 8.280 nan 0.000 0.534 480 G N 0.526 109.437 108.800 0.185 0.000 3.324 480 G HA2 0.183 4.124 3.960 -0.033 0.000 0.251 480 G HA3 0.183 4.124 3.960 -0.033 0.000 0.251 480 G C 0.617 175.560 174.900 0.071 0.000 1.072 480 G CA -0.305 44.860 45.100 0.109 0.000 0.787 480 G HN 0.191 nan 8.290 nan 0.000 0.537 481 M N 0.952 120.600 119.600 0.080 0.000 2.232 481 M HA 0.513 4.974 4.480 -0.033 0.000 0.321 481 M C 0.678 177.013 176.300 0.058 0.000 1.101 481 M CA -0.458 54.878 55.300 0.061 0.000 1.181 481 M CB 0.616 33.264 32.600 0.081 0.000 1.432 481 M HN 0.020 nan 8.290 nan 0.000 0.457 482 S N 0.496 116.220 115.700 0.040 0.000 2.584 482 S HA 0.212 4.662 4.470 -0.033 0.000 0.270 482 S C -0.368 174.254 174.600 0.037 0.000 1.346 482 S CA -0.607 57.611 58.200 0.031 0.000 1.018 482 S CB 0.359 63.570 63.200 0.019 0.000 0.899 482 S HN 0.791 nan 8.310 nan 0.000 0.542 483 E N -0.095 120.119 120.200 0.023 0.000 2.248 483 E HA 0.341 4.672 4.350 -0.033 0.000 0.272 483 E C -0.541 176.072 176.600 0.023 0.000 1.008 483 E CA -0.955 55.452 56.400 0.012 0.000 0.856 483 E CB 0.998 30.692 29.700 -0.009 0.000 1.120 483 E HN 0.658 nan 8.360 nan 0.000 0.397 484 c N 2.566 121.183 118.600 0.029 0.000 2.653 484 c HA 0.108 4.658 4.570 -0.033 0.000 0.421 484 c C 1.127 175.260 174.090 0.071 0.000 1.334 484 c CA -0.755 55.617 56.329 0.073 0.000 1.885 484 c CB -0.959 41.636 42.510 0.141 0.000 2.645 484 c HN 0.741 nan 8.230 nan 0.000 0.601 485 S N 2.871 118.618 115.700 0.079 0.000 2.566 485 S HA 0.021 4.471 4.470 -0.033 0.000 0.280 485 S C 1.050 175.723 174.600 0.121 0.000 1.343 485 S CA -0.147 58.099 58.200 0.077 0.000 1.036 485 S CB 0.565 63.803 63.200 0.065 0.000 0.866 485 S HN 0.770 nan 8.310 nan 0.000 0.526 486 S N 1.536 117.299 115.700 0.106 0.000 2.356 486 S HA -0.140 4.311 4.470 -0.033 0.000 0.223 486 S C 2.229 176.928 174.600 0.163 0.000 1.032 486 S CA 1.397 59.686 58.200 0.149 0.000 1.005 486 S CB -0.809 62.453 63.200 0.105 0.000 0.867 486 S HN 0.876 nan 8.310 nan 0.000 0.449 487 S N 1.303 117.068 115.700 0.107 0.000 2.359 487 S HA -0.213 4.237 4.470 -0.033 0.000 0.223 487 S C 1.995 176.650 174.600 0.090 0.000 1.039 487 S CA 1.633 59.882 58.200 0.081 0.000 1.042 487 S CB -0.335 62.900 63.200 0.057 0.000 0.915 487 S HN 0.489 nan 8.310 nan 0.000 0.439 488 R N -0.544 120.022 120.500 0.111 0.000 2.081 488 R HA -0.103 4.217 4.340 -0.033 0.000 0.235 488 R C 2.436 178.830 176.300 0.155 0.000 1.131 488 R CA 1.707 57.876 56.100 0.115 0.000 0.960 488 R CB -0.593 29.777 30.300 0.116 0.000 0.856 488 R HN 0.771 nan 8.270 nan 0.000 0.436 489 W N 1.866 123.190 121.300 0.039 0.000 2.381 489 W HA -0.159 4.481 4.660 -0.033 0.000 0.301 489 W C 0.556 177.110 176.519 0.059 0.000 1.205 489 W CA 1.374 58.749 57.345 0.051 0.000 1.285 489 W CB 0.067 29.563 29.460 0.060 0.000 1.133 489 W HN 0.182 nan 8.180 nan 0.000 0.521 490 E N 0.146 120.402 120.200 0.093 0.000 2.489 490 E HA 0.001 4.331 4.350 -0.033 0.000 0.193 490 E C 0.280 176.854 176.600 -0.044 0.000 1.057 490 E CA 0.013 56.404 56.400 -0.014 0.000 0.866 490 E CB -0.109 29.654 29.700 0.104 0.000 0.916 490 E HN 0.202 nan 8.360 nan 0.000 0.500 491 R N 0.422 120.905 120.500 -0.027 0.000 3.422 491 R HA -0.191 4.129 4.340 -0.033 0.000 0.267 491 R C 0.562 176.854 176.300 -0.013 0.000 1.074 491 R CA -0.098 55.999 56.100 -0.005 0.000 0.718 491 R CB -1.746 28.560 30.300 0.011 0.000 1.157 491 R HN 0.124 nan 8.270 nan 0.000 0.440 492 L N 1.083 122.285 121.223 -0.034 0.000 2.131 492 L HA -0.129 4.191 4.340 -0.033 0.000 0.210 492 L C 2.273 179.018 176.870 -0.207 0.000 1.092 492 L CA 1.738 56.522 54.840 -0.093 0.000 0.759 492 L CB -0.339 41.699 42.059 -0.035 0.000 0.903 492 L HN 0.252 nan 8.230 nan 0.000 0.435 493 E N -1.230 118.897 120.200 -0.122 0.000 2.401 493 E HA -0.200 4.130 4.350 -0.033 0.000 0.199 493 E C 0.608 177.078 176.600 -0.218 0.000 1.023 493 E CA 0.404 56.716 56.400 -0.146 0.000 0.859 493 E CB -0.377 29.318 29.700 -0.007 0.000 0.780 493 E HN 0.598 nan 8.360 nan 0.000 0.523 494 H N 1.199 120.103 119.070 -0.277 0.000 2.787 494 H HA 0.074 4.611 4.556 -0.033 0.000 0.275 494 H C -0.416 174.773 175.328 -0.231 0.000 1.183 494 H CA -0.497 55.451 56.048 -0.167 0.000 1.290 494 H CB 0.021 29.770 29.762 -0.022 0.000 1.438 494 H HN 0.020 nan 8.280 nan 0.000 0.487 495 H N 5.173 124.288 119.070 0.075 0.000 2.668 495 H HA 0.071 4.607 4.556 -0.033 0.000 0.303 495 H C 0.146 175.263 175.328 -0.353 0.000 1.074 495 H CA -0.322 55.634 56.048 -0.154 0.000 1.406 495 H CB 0.470 30.160 29.762 -0.119 0.000 1.442 495 H HN 0.717 nan 8.280 nan 0.000 0.482 496 H N 2.370 121.199 119.070 -0.401 0.000 2.707 496 H HA 0.048 4.584 4.556 -0.033 0.000 0.359 496 H C 0.370 175.395 175.328 -0.505 0.000 1.113 496 H CA -0.122 55.675 56.048 -0.418 0.000 1.422 496 H CB 1.048 30.660 29.762 -0.250 0.000 1.443 496 H HN 0.699 nan 8.280 nan 0.000 0.591 497 H N 1.356 120.476 119.070 0.084 0.000 2.865 497 H HA -0.006 4.530 4.556 -0.033 0.000 0.247 497 H C 0.864 176.235 175.328 0.073 0.000 1.181 497 H CA 0.004 56.084 56.048 0.054 0.000 0.975 497 H CB -0.088 29.712 29.762 0.064 0.000 1.899 497 H HN 0.782 nan 8.280 nan 0.000 0.651 498 H N -1.841 117.379 119.070 0.249 0.000 2.521 498 H HA -0.022 4.515 4.556 -0.032 0.000 0.286 498 H C 0.643 176.078 175.328 0.179 0.000 1.034 498 H CA 0.294 56.427 56.048 0.142 0.000 1.278 498 H CB -0.469 29.307 29.762 0.024 0.000 1.386 498 H HN 0.165 nan 8.280 nan 0.000 0.567 499 H N 0.000 118.992 119.070 -0.130 0.000 2.539 499 H HA 0.000 4.537 4.556 -0.032 0.000 0.296 499 H CA 0.000 56.059 56.048 0.019 0.000 1.023 499 H CB 0.000 29.750 29.762 -0.021 0.000 1.292 499 H HN 0.000 nan 8.280 nan 0.000 0.496